system_id stringlengths 17 57 | split stringclasses 1
value | entry_pdb_id stringlengths 4 4 | entry_determination_method stringclasses 8
values | entry_resolution float32 0.64 37 ⌀ | is_experimental bool 1
class | protein_sequence stringlengths 2 5.16k | protein_chain_id stringclasses 455
values | protein_instance_chain stringlengths 3 5 | ligand_smiles stringlengths 2 604 | ligand_ccd_code stringlengths 1 135 | ligand_instance_chain stringlengths 3 5 | ligand_is_proper bool 2
classes | ligand_is_covalent bool 2
classes | ligand_molecular_weight float32 7.02 3.45k | system_pass_validation_criteria bool 2
classes | system_num_protein_chains int32 1 5 | system_num_ligand_chains int32 1 5 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
8ru2__1__1.B__1.H_1.I | train | 8ru2 | ELECTRON MICROSCOPY | null | true | DDDIAALVVDNGSGMCKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIVTNWDDMEKIWHHTFYNELRVAPEEHPVLLTEAPLNPKANREKMTQIMFETFNTPAMYVAIQAVLSLYASGRTTGIVMDSGDGVTHTVPIYEGYALPHAILRLDLAGRDLTDYLMKILTERGYSFTTTAEREIVRDIKEKLCYVALDFEQEMATAASSSSLEKSYELPDGQVITIGNERFRCPEALFQPSFLGMESAGIHETTFNSIMKCDVDIRKDLYANTVLSGGTTMYPGIADRMQKEITALA... | B | 1.B | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | ADP | 1.H | true | false | 427.029419 | false | 1 | 2 |
8ru2__1__1.B__1.H_1.I | train | 8ru2 | ELECTRON MICROSCOPY | null | true | DDDIAALVVDNGSGMCKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIVTNWDDMEKIWHHTFYNELRVAPEEHPVLLTEAPLNPKANREKMTQIMFETFNTPAMYVAIQAVLSLYASGRTTGIVMDSGDGVTHTVPIYEGYALPHAILRLDLAGRDLTDYLMKILTERGYSFTTTAEREIVRDIKEKLCYVALDFEQEMATAASSSSLEKSYELPDGQVITIGNERFRCPEALFQPSFLGMESAGIHETTFNSIMKCDVDIRKDLYANTVLSGGTTMYPGIADRMQKEITALA... | B | 1.B | [Mg+2] | MG | 1.I | false | false | 23.983944 | false | 1 | 2 |
8ru0__1__1.D__1.N_1.O | train | 8ru0 | ELECTRON MICROSCOPY | null | true | DEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIITNWDDMEKIWHHTFYNELRVAPEEHPTLLTEAPLNPKANREKMTQIMFETFNVPAMYVAIQAVLSLYASGRTTGIVLDSGDGVTHNVPIYEGYALPHAIMRLDLAGRDLTDYLMKILTERGYSFVTTAEREIVRDIKEKLCYVALDFENEMATAASSSSLEKSYELPDGQVITIGNERFRCPETLFQPSFIGMESAGIHETTYNSIMKCDIDIRKDLYANNVMSGGTTMYPGIADRMQKEITAL... | D | 1.D | [Mg+2] | MG | 1.N | false | false | 23.983944 | false | 1 | 2 |
8ru0__1__1.D__1.N_1.O | train | 8ru0 | ELECTRON MICROSCOPY | null | true | DEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIITNWDDMEKIWHHTFYNELRVAPEEHPTLLTEAPLNPKANREKMTQIMFETFNVPAMYVAIQAVLSLYASGRTTGIVLDSGDGVTHNVPIYEGYALPHAIMRLDLAGRDLTDYLMKILTERGYSFVTTAEREIVRDIKEKLCYVALDFENEMATAASSSSLEKSYELPDGQVITIGNERFRCPETLFQPSFIGMESAGIHETTYNSIMKCDIDIRKDLYANNVMSGGTTMYPGIADRMQKEITAL... | D | 1.D | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | ATP | 1.O | true | false | 506.995758 | false | 1 | 2 |
8ru0__1__1.C__1.K_1.L_1.M | train | 8ru0 | ELECTRON MICROSCOPY | null | true | DEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIITNWDDMEKIWHHTFYNELRVAPEEHPTLLTEAPLNPKANREKMTQIMFETFNVPAMYVAIQAVLSLYASGRTTGIVLDSGDGVTHNVPIYEGYALPHAIMRLDLAGRDLTDYLMKILTERGYSFVTTAEREIVRDIKEKLCYVALDFENEMATAASSSSLEKSYELPDGQVITIGNERFRCPETLFQPSFIGMESAGIHETTYNSIMKCDIDIRKDLYANNVMSGGTTMYPGIADRMQKEITAL... | C | 1.C | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | ADP | 1.K | true | false | 427.029419 | false | 1 | 3 |
8ru0__1__1.C__1.K_1.L_1.M | train | 8ru0 | ELECTRON MICROSCOPY | null | true | DEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIITNWDDMEKIWHHTFYNELRVAPEEHPTLLTEAPLNPKANREKMTQIMFETFNVPAMYVAIQAVLSLYASGRTTGIVLDSGDGVTHNVPIYEGYALPHAIMRLDLAGRDLTDYLMKILTERGYSFVTTAEREIVRDIKEKLCYVALDFENEMATAASSSSLEKSYELPDGQVITIGNERFRCPETLFQPSFIGMESAGIHETTYNSIMKCDIDIRKDLYANNVMSGGTTMYPGIADRMQKEITAL... | C | 1.C | [Mg+2] | MG | 1.L | false | false | 23.983944 | false | 1 | 3 |
8ru2__1__1.A__1.F_1.G | train | 8ru2 | ELECTRON MICROSCOPY | null | true | DDDIAALVVDNGSGMCKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIVTNWDDMEKIWHHTFYNELRVAPEEHPVLLTEAPLNPKANREKMTQIMFETFNTPAMYVAIQAVLSLYASGRTTGIVMDSGDGVTHTVPIYEGYALPHAILRLDLAGRDLTDYLMKILTERGYSFTTTAEREIVRDIKEKLCYVALDFEQEMATAASSSSLEKSYELPDGQVITIGNERFRCPEALFQPSFLGMESAGIHETTFNSIMKCDVDIRKDLYANTVLSGGTTMYPGIADRMQKEITALA... | A | 1.A | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | ADP | 1.F | true | false | 427.029419 | false | 1 | 2 |
8ru2__1__1.A__1.F_1.G | train | 8ru2 | ELECTRON MICROSCOPY | null | true | DDDIAALVVDNGSGMCKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIVTNWDDMEKIWHHTFYNELRVAPEEHPVLLTEAPLNPKANREKMTQIMFETFNTPAMYVAIQAVLSLYASGRTTGIVMDSGDGVTHTVPIYEGYALPHAILRLDLAGRDLTDYLMKILTERGYSFTTTAEREIVRDIKEKLCYVALDFEQEMATAASSSSLEKSYELPDGQVITIGNERFRCPEALFQPSFLGMESAGIHETTFNSIMKCDVDIRKDLYANTVLSGGTTMYPGIADRMQKEITALA... | A | 1.A | [Mg+2] | MG | 1.G | false | false | 23.983944 | false | 1 | 2 |
8rv2__1__1.A__1.G_1.H | train | 8rv2 | ELECTRON MICROSCOPY | null | true | DEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIITNWDDMEKIWHHTFYNELRVAPEEHPTLLTEAPLNPKANREKMTQIMFETFNVPAMYVAIQAVLSLYASGRTTGIVLDSGDGVTHNVPIYEGYALPHAIMRLDLAGRDLTDYLMKILTERGYSFVTTAEREIVRDIKEKLCYVALDFENEMATAASSSSLEKSYELPDGQVITIGNERFRCPETLFQPSFIGMESAGIHETTYNSIMKCDIDIRKDLYANNVMSGGTTMYPGIADRMQKEITAL... | A | 1.A | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | ADP | 1.G | true | false | 427.029419 | false | 1 | 2 |
8rv2__1__1.A__1.G_1.H | train | 8rv2 | ELECTRON MICROSCOPY | null | true | DEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIITNWDDMEKIWHHTFYNELRVAPEEHPTLLTEAPLNPKANREKMTQIMFETFNVPAMYVAIQAVLSLYASGRTTGIVLDSGDGVTHNVPIYEGYALPHAIMRLDLAGRDLTDYLMKILTERGYSFVTTAEREIVRDIKEKLCYVALDFENEMATAASSSSLEKSYELPDGQVITIGNERFRCPETLFQPSFIGMESAGIHETTYNSIMKCDIDIRKDLYANNVMSGGTTMYPGIADRMQKEITAL... | A | 1.A | [Mg+2] | MG | 1.H | false | false | 23.983944 | false | 1 | 2 |
8ru0__1__1.B__1.H_1.I_1.J | train | 8ru0 | ELECTRON MICROSCOPY | null | true | DEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIITNWDDMEKIWHHTFYNELRVAPEEHPTLLTEAPLNPKANREKMTQIMFETFNVPAMYVAIQAVLSLYASGRTTGIVLDSGDGVTHNVPIYEGYALPHAIMRLDLAGRDLTDYLMKILTERGYSFVTTAEREIVRDIKEKLCYVALDFENEMATAASSSSLEKSYELPDGQVITIGNERFRCPETLFQPSFIGMESAGIHETTYNSIMKCDIDIRKDLYANNVMSGGTTMYPGIADRMQKEITAL... | B | 1.B | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | ADP | 1.H | true | false | 427.029419 | false | 1 | 3 |
8ru0__1__1.B__1.H_1.I_1.J | train | 8ru0 | ELECTRON MICROSCOPY | null | true | DEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIITNWDDMEKIWHHTFYNELRVAPEEHPTLLTEAPLNPKANREKMTQIMFETFNVPAMYVAIQAVLSLYASGRTTGIVLDSGDGVTHNVPIYEGYALPHAIMRLDLAGRDLTDYLMKILTERGYSFVTTAEREIVRDIKEKLCYVALDFENEMATAASSSSLEKSYELPDGQVITIGNERFRCPETLFQPSFIGMESAGIHETTYNSIMKCDIDIRKDLYANNVMSGGTTMYPGIADRMQKEITAL... | B | 1.B | [Mg+2] | MG | 1.I | false | false | 23.983944 | false | 1 | 3 |
8ruc__1__1.A_2.C__2.M_2.N | train | 8ruc | X-RAY DIFFRACTION | 1.6 | true | MSPQTETKASVEFKAGVKDYKLTYYTPEYETLDTDILAAFRVSPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTNLDRYKGRCYHIEPVAGEENQYICYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPVAYVKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEALYKAQAETGEIKGHYLNATAGTCEDMMKRAVFARELGVPIVMHDYLTGGFTANTTLSHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRL... | A | 1.A | [Mg+2] | MG | 2.M | false | false | 23.983944 | false | 2 | 2 |
8ruc__1__1.A_2.C__2.M_2.N | train | 8ruc | X-RAY DIFFRACTION | 1.6 | true | MSPQTETKASVEFKAGVKDYKLTYYTPEYETLDTDILAAFRVSPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTNLDRYKGRCYHIEPVAGEENQYICYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPVAYVKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEALYKAQAETGEIKGHYLNATAGTCEDMMKRAVFARELGVPIVMHDYLTGGFTANTTLSHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRL... | A | 1.A | O=C(O)[C@@](O)(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O | CAP | 2.N | true | false | 355.990967 | false | 2 | 2 |
8rv2__1__1.B__1.I_1.J_1.K | train | 8rv2 | ELECTRON MICROSCOPY | null | true | DEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIITNWDDMEKIWHHTFYNELRVAPEEHPTLLTEAPLNPKANREKMTQIMFETFNVPAMYVAIQAVLSLYASGRTTGIVLDSGDGVTHNVPIYEGYALPHAIMRLDLAGRDLTDYLMKILTERGYSFVTTAEREIVRDIKEKLCYVALDFENEMATAASSSSLEKSYELPDGQVITIGNERFRCPETLFQPSFIGMESAGIHETTYNSIMKCDIDIRKDLYANNVMSGGTTMYPGIADRMQKEITAL... | B | 1.B | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | ADP | 1.I | true | false | 427.029419 | false | 1 | 3 |
8rv2__1__1.B__1.I_1.J_1.K | train | 8rv2 | ELECTRON MICROSCOPY | null | true | DEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIITNWDDMEKIWHHTFYNELRVAPEEHPTLLTEAPLNPKANREKMTQIMFETFNVPAMYVAIQAVLSLYASGRTTGIVLDSGDGVTHNVPIYEGYALPHAIMRLDLAGRDLTDYLMKILTERGYSFVTTAEREIVRDIKEKLCYVALDFENEMATAASSSSLEKSYELPDGQVITIGNERFRCPETLFQPSFIGMESAGIHETTYNSIMKCDIDIRKDLYANNVMSGGTTMYPGIADRMQKEITAL... | B | 1.B | [Mg+2] | MG | 1.J | false | false | 23.983944 | false | 1 | 3 |
8ruc__1__1.D_2.D__2.O_2.P | train | 8ruc | X-RAY DIFFRACTION | 1.6 | true | MSPQTETKASVEFKAGVKDYKLTYYTPEYETLDTDILAAFRVSPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTNLDRYKGRCYHIEPVAGEENQYICYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPVAYVKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEALYKAQAETGEIKGHYLNATAGTCEDMMKRAVFARELGVPIVMHDYLTGGFTANTTLSHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRL... | D | 1.D | [Mg+2] | MG | 2.O | false | false | 23.983944 | false | 2 | 2 |
8ruc__1__1.D_2.D__2.O_2.P | train | 8ruc | X-RAY DIFFRACTION | 1.6 | true | MSPQTETKASVEFKAGVKDYKLTYYTPEYETLDTDILAAFRVSPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTNLDRYKGRCYHIEPVAGEENQYICYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPVAYVKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEALYKAQAETGEIKGHYLNATAGTCEDMMKRAVFARELGVPIVMHDYLTGGFTANTTLSHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRL... | D | 1.D | O=C(O)[C@@](O)(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O | CAP | 2.P | true | false | 355.990967 | false | 2 | 2 |
8ruc__1__1.A_2.C__1.I_1.J | train | 8ruc | X-RAY DIFFRACTION | 1.6 | true | MSPQTETKASVEFKAGVKDYKLTYYTPEYETLDTDILAAFRVSPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTNLDRYKGRCYHIEPVAGEENQYICYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPVAYVKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEALYKAQAETGEIKGHYLNATAGTCEDMMKRAVFARELGVPIVMHDYLTGGFTANTTLSHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRL... | A | 1.A | [Mg+2] | MG | 1.I | false | false | 23.983944 | false | 2 | 2 |
8ruc__1__1.A_2.C__1.I_1.J | train | 8ruc | X-RAY DIFFRACTION | 1.6 | true | MSPQTETKASVEFKAGVKDYKLTYYTPEYETLDTDILAAFRVSPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTNLDRYKGRCYHIEPVAGEENQYICYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPVAYVKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEALYKAQAETGEIKGHYLNATAGTCEDMMKRAVFARELGVPIVMHDYLTGGFTANTTLSHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRL... | A | 1.A | O=C(O)[C@@](O)(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O | CAP | 1.J | true | false | 355.990967 | false | 2 | 2 |
8ruc__1__1.B_2.B__2.K_2.L | train | 8ruc | X-RAY DIFFRACTION | 1.6 | true | MSPQTETKASVEFKAGVKDYKLTYYTPEYETLDTDILAAFRVSPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTNLDRYKGRCYHIEPVAGEENQYICYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPVAYVKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEALYKAQAETGEIKGHYLNATAGTCEDMMKRAVFARELGVPIVMHDYLTGGFTANTTLSHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRL... | B | 1.B | [Mg+2] | MG | 2.K | false | false | 23.983944 | false | 2 | 2 |
8ruc__1__1.B_2.B__2.K_2.L | train | 8ruc | X-RAY DIFFRACTION | 1.6 | true | MSPQTETKASVEFKAGVKDYKLTYYTPEYETLDTDILAAFRVSPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTNLDRYKGRCYHIEPVAGEENQYICYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPVAYVKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEALYKAQAETGEIKGHYLNATAGTCEDMMKRAVFARELGVPIVMHDYLTGGFTANTTLSHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRL... | B | 1.B | O=C(O)[C@@](O)(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O | CAP | 2.L | true | false | 355.990967 | false | 2 | 2 |
8ruu__1__1.A_1.C__1.G | train | 8ruu | X-RAY DIFFRACTION | 2.81 | true | EVQLVESGGGLVQPGGSLRLSCAASGFTFSDYNMAWVRQAPGKGLEWVATITYEGRNTYYRDSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCASPPQYYEGSIYRLWFAHWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC | A | 1.A | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H]1O | NAG-NAG-BMA-MAN-FUL | 1.G | true | true | 878.337952 | false | 2 | 1 |
8ruu__1__1.A_1.C__1.G | train | 8ruu | X-RAY DIFFRACTION | 2.81 | true | RKIPKVGHTFFQKPESCPPVPGGSMKLDIGIINENQRVSMSRNIESRSTSPWNYTVTWDPNRYPSEVVQAQCRNLGCINAQGKEDISMNSVPIQQETLVVRRKHQGCSVSFQLEKVLVTVGCTCVTPVIHHVQ | C | 1.C | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H]1O | NAG-NAG-BMA-MAN-FUL | 1.G | true | true | 878.337952 | false | 2 | 1 |
8rv2__1__1.C__1.L_1.M | train | 8rv2 | ELECTRON MICROSCOPY | null | true | DEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIITNWDDMEKIWHHTFYNELRVAPEEHPTLLTEAPLNPKANREKMTQIMFETFNVPAMYVAIQAVLSLYASGRTTGIVLDSGDGVTHNVPIYEGYALPHAIMRLDLAGRDLTDYLMKILTERGYSFVTTAEREIVRDIKEKLCYVALDFENEMATAASSSSLEKSYELPDGQVITIGNERFRCPETLFQPSFIGMESAGIHETTYNSIMKCDIDIRKDLYANNVMSGGTTMYPGIADRMQKEITAL... | C | 1.C | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | ADP | 1.L | true | false | 427.029419 | false | 1 | 2 |
8rv2__1__1.C__1.L_1.M | train | 8rv2 | ELECTRON MICROSCOPY | null | true | DEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIITNWDDMEKIWHHTFYNELRVAPEEHPTLLTEAPLNPKANREKMTQIMFETFNVPAMYVAIQAVLSLYASGRTTGIVLDSGDGVTHNVPIYEGYALPHAIMRLDLAGRDLTDYLMKILTERGYSFVTTAEREIVRDIKEKLCYVALDFENEMATAASSSSLEKSYELPDGQVITIGNERFRCPETLFQPSFIGMESAGIHETTYNSIMKCDIDIRKDLYANNVMSGGTTMYPGIADRMQKEITAL... | C | 1.C | [Mg+2] | MG | 1.M | false | false | 23.983944 | false | 1 | 2 |
8rxb__1__1.C__1.D | train | 8rxb | X-RAY DIFFRACTION | 2.6 | true | TKDLPIHACSYCGIHDPACVVYCNTSKKWFCNGRGNTSGSHIVNHLVRAKCKEVTLHKDGPLGETVLECYNCGCRNVFLLGFIPAKADSVVVLLCRQPCASQSSLKDINWDSSQWQPLIQDRCFLSWLVKIPSEQEQLRARQITAQQINKLEELWKENPSATLEDLEKPGVDE | C | 1.C | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C=O)[C@@H](C)CC | ARG-GLY-ILE-LEU-ILE-LEU-PRO-ALA | 1.D | true | false | 750.500366 | false | 1 | 1 |
8ruc__1__1.D_2.D__1.O_1.P | train | 8ruc | X-RAY DIFFRACTION | 1.6 | true | MSPQTETKASVEFKAGVKDYKLTYYTPEYETLDTDILAAFRVSPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTNLDRYKGRCYHIEPVAGEENQYICYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPVAYVKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEALYKAQAETGEIKGHYLNATAGTCEDMMKRAVFARELGVPIVMHDYLTGGFTANTTLSHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRL... | D | 1.D | [Mg+2] | MG | 1.O | false | false | 23.983944 | false | 2 | 2 |
8ruc__1__1.D_2.D__1.O_1.P | train | 8ruc | X-RAY DIFFRACTION | 1.6 | true | MSPQTETKASVEFKAGVKDYKLTYYTPEYETLDTDILAAFRVSPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTNLDRYKGRCYHIEPVAGEENQYICYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPVAYVKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEALYKAQAETGEIKGHYLNATAGTCEDMMKRAVFARELGVPIVMHDYLTGGFTANTTLSHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRL... | D | 1.D | O=C(O)[C@@](O)(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O | CAP | 1.P | true | false | 355.990967 | false | 2 | 2 |
8ruc__1__1.C_2.A__2.I_2.J | train | 8ruc | X-RAY DIFFRACTION | 1.6 | true | MSPQTETKASVEFKAGVKDYKLTYYTPEYETLDTDILAAFRVSPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTNLDRYKGRCYHIEPVAGEENQYICYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPVAYVKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEALYKAQAETGEIKGHYLNATAGTCEDMMKRAVFARELGVPIVMHDYLTGGFTANTTLSHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRL... | C | 1.C | [Mg+2] | MG | 2.I | false | false | 23.983944 | false | 2 | 2 |
8ruc__1__1.C_2.A__2.I_2.J | train | 8ruc | X-RAY DIFFRACTION | 1.6 | true | MSPQTETKASVEFKAGVKDYKLTYYTPEYETLDTDILAAFRVSPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTNLDRYKGRCYHIEPVAGEENQYICYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPVAYVKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEALYKAQAETGEIKGHYLNATAGTCEDMMKRAVFARELGVPIVMHDYLTGGFTANTTLSHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRL... | C | 1.C | O=C(O)[C@@](O)(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O | CAP | 2.J | true | false | 355.990967 | false | 2 | 2 |
8rx0__1__1.A_1.I__1.J | train | 8rx0 | ELECTRON MICROSCOPY | null | true | MEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD | A | 1.A | CC1=C(c2ccc(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)C(C)(C)C)cc2)SCN1 | 759 | 1.J | true | true | 1,003.385132 | false | 2 | 1 |
8rx0__1__1.A_1.I__1.J | train | 8rx0 | ELECTRON MICROSCOPY | null | true | KVSEQLKCCSGILKEMFAKKHAAYAWPFYKPVDVEALGLHDYCDIIKHPMDMSTIKSKLEAREYRDAQEFGADVRLMFSNCYKYNPPDHEVVAMARKLQDVFEMRFAKMPD | I | 1.I | CC1=C(c2ccc(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)C(C)(C)C)cc2)SCN1 | 759 | 1.J | true | true | 1,003.385132 | false | 2 | 1 |
8rv2__1__1.D__1.N_1.O | train | 8rv2 | ELECTRON MICROSCOPY | null | true | DEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIITNWDDMEKIWHHTFYNELRVAPEEHPTLLTEAPLNPKANREKMTQIMFETFNVPAMYVAIQAVLSLYASGRTTGIVLDSGDGVTHNVPIYEGYALPHAIMRLDLAGRDLTDYLMKILTERGYSFVTTAEREIVRDIKEKLCYVALDFENEMATAASSSSLEKSYELPDGQVITIGNERFRCPETLFQPSFIGMESAGIHETTYNSIMKCDIDIRKDLYANNVMSGGTTMYPGIADRMQKEITAL... | D | 1.D | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | ATP | 1.N | true | false | 506.995758 | false | 1 | 2 |
8rv2__1__1.D__1.N_1.O | train | 8rv2 | ELECTRON MICROSCOPY | null | true | DEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIITNWDDMEKIWHHTFYNELRVAPEEHPTLLTEAPLNPKANREKMTQIMFETFNVPAMYVAIQAVLSLYASGRTTGIVLDSGDGVTHNVPIYEGYALPHAIMRLDLAGRDLTDYLMKILTERGYSFVTTAEREIVRDIKEKLCYVALDFENEMATAASSSSLEKSYELPDGQVITIGNERFRCPETLFQPSFIGMESAGIHETTYNSIMKCDIDIRKDLYANNVMSGGTTMYPGIADRMQKEITAL... | D | 1.D | [Mg+2] | MG | 1.O | false | false | 23.983944 | false | 1 | 2 |
8rxb__1__1.I__1.J | train | 8rxb | X-RAY DIFFRACTION | 2.6 | true | TKDLPIHACSYCGIHDPACVVYCNTSKKWFCNGRGNTSGSHIVNHLVRAKCKEVTLHKDGPLGETVLECYNCGCRNVFLLGFIPAKADSVVVLLCRQPCASQSSLKDINWDSSQWQPLIQDRCFLSWLVKIPSEQEQLRARQITAQQINKLEELWKENPSATLEDLEKPGVDE | I | 1.I | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C=O)[C@@H](C)CC | ARG-GLY-ILE-LEU-ILE-LEU-PRO-ALA | 1.J | true | false | 750.500366 | false | 1 | 1 |
8ruu__1__1.D_1.F__1.H | train | 8ruu | X-RAY DIFFRACTION | 2.81 | true | EVQLVESGGGLVQPGGSLRLSCAASGFTFSDYNMAWVRQAPGKGLEWVATITYEGRNTYYRDSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCASPPQYYEGSIYRLWFAHWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC | D | 1.D | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.H | true | true | 221.089935 | true | 2 | 1 |
8ruu__1__1.D_1.F__1.H | train | 8ruu | X-RAY DIFFRACTION | 2.81 | true | RKIPKVGHTFFQKPESCPPVPGGSMKLDIGIINENQRVSMSRNIESRSTSPWNYTVTWDPNRYPSEVVQAQCRNLGCINAQGKEDISMNSVPIQQETLVVRRKHQGCSVSFQLEKVLVTVGCTCVTPVIHHVQ | F | 1.F | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.H | true | true | 221.089935 | true | 2 | 1 |
8rxu__1__1.B__1.N_1.O_1.P | train | 8rxu | X-RAY DIFFRACTION | 1.737 | true | GRETCYACHTEVKSLKENSKHAAIACTVCHDKTKEHLEKGPDVKPVTKIDQAVCGSCHKNQYESFYAVHHDPTGARKEKGIPAGRSPLQDKLLAGHGFTFEHAEPRGHAYMVVDQFAVDRFQGGRYQFKGGWKNYDKVGKTWDILEDRGPNAKLPETAMAGNPTCIQCKSSDLILQWKHLGEKGGKFDRTSNVNDVVKAINNPVGCIHCHDPHGAQPRIVRDGLIAAIEKDPAKNIFAKNGKTDLKVIDFRGFRKIGVMEKTDSRMMCAQCHVEYNCNPGTQRTDGKPVTFADARTNHFPLKNSLQLLEHYRSIDFFDFK... | B | 1.B | CC=c1c(C)c2n3c1=Cc1c(C)c(CCC(=O)O)c4n1[Fe]31n3c(c(C)c(=CC)c3=C2)C=c2c(C)c(CCC(=O)O)c(n21)=C4 | HEC | 1.N | true | true | 618.192932 | false | 1 | 3 |
8rxb__1__1.A_1.G__1.H | train | 8rxb | X-RAY DIFFRACTION | 2.6 | true | TKDLPIHACSYCGIHDPACVVYCNTSKKWFCNGRGNTSGSHIVNHLVRAKCKEVTLHKDGPLGETVLECYNCGCRNVFLLGFIPAKADSVVVLLCRQPCASQSSLKDINWDSSQWQPLIQDRCFLSWLVKIPSEQEQLRARQITAQQINKLEELWKENPSATLEDLEKPGVDE | A | 1.A | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C=O)[C@@H](C)CC | ARG-GLY-ILE-LEU-ILE-LEU-PRO-ALA | 1.H | true | false | 750.500366 | false | 2 | 1 |
8rwz__1__1.A_1.B__1.G | train | 8rwz | ELECTRON MICROSCOPY | null | true | KDVPDSQQHPAPEKSSKVSEQLKCCSGILKEMFAKKHAAYAWPFYKPVDVEALGLHDYCDIIKHPMDMSTIKSKLEAREYRDAQEFGADVRLMFSNCYKYNPPDHEVVAMARKLQDVFEMRFAKMPDE | A | 1.A | CC1=C(c2ccc(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)C(C)(C)C)cc2)SCN1 | 759 | 1.G | true | true | 1,003.385132 | false | 2 | 1 |
8rwz__1__1.A_1.B__1.G | train | 8rwz | ELECTRON MICROSCOPY | null | true | MEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD | B | 1.B | CC1=C(c2ccc(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)C(C)(C)C)cc2)SCN1 | 759 | 1.G | true | true | 1,003.385132 | false | 2 | 1 |
8rxu__1__1.C__1.X_1.Y_1.Z | train | 8rxu | X-RAY DIFFRACTION | 1.737 | true | GRETCYACHTEVKSLKENSKHAAIACTVCHDKTKEHLEKGPDVKPVTKIDQAVCGSCHKNQYESFYAVHHDPTGARKEKGIPAGRSPLQDKLLAGHGFTFEHAEPRGHAYMVVDQFAVDRFQGGRYQFKGGWKNYDKVGKTWDILEDRGPNAKLPETAMAGNPTCIQCKSSDLILQWKHLGEKGGKFDRTSNVNDVVKAINNPVGCIHCHDPHGAQPRIVRDGLIAAIEKDPAKNIFAKNGKTDLKVIDFRGFRKIGVMEKTDSRMMCAQCHVEYNCNPGTQRTDGKPVTFADARTNHFPLKNSLQLLEHYRSIDFFDFK... | C | 1.C | CC=c1c(C)c2n3c1=Cc1c(C)c(CCC(=O)O)c4n1[Fe]31n3c(c(C)c(=CC)c3=C2)C=c2c(C)c(CCC(=O)O)c(n21)=C4 | HEC | 1.X | true | true | 618.192932 | false | 1 | 3 |
8ruc__1__1.B_2.B__1.K_1.L | train | 8ruc | X-RAY DIFFRACTION | 1.6 | true | MSPQTETKASVEFKAGVKDYKLTYYTPEYETLDTDILAAFRVSPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTNLDRYKGRCYHIEPVAGEENQYICYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPVAYVKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEALYKAQAETGEIKGHYLNATAGTCEDMMKRAVFARELGVPIVMHDYLTGGFTANTTLSHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRL... | B | 1.B | [Mg+2] | MG | 1.K | false | false | 23.983944 | false | 2 | 2 |
8ruc__1__1.B_2.B__1.K_1.L | train | 8ruc | X-RAY DIFFRACTION | 1.6 | true | MSPQTETKASVEFKAGVKDYKLTYYTPEYETLDTDILAAFRVSPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTNLDRYKGRCYHIEPVAGEENQYICYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPVAYVKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEALYKAQAETGEIKGHYLNATAGTCEDMMKRAVFARELGVPIVMHDYLTGGFTANTTLSHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRL... | B | 1.B | O=C(O)[C@@](O)(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O | CAP | 1.L | true | false | 355.990967 | false | 2 | 2 |
8ryk__2__1.B__1.D | train | 8ryk | X-RAY DIFFRACTION | 1.8 | true | APVRSLNCTLRDSQQKSLVMSGPYELKALHLQGQDMEQQVVFSMSFVQGEESNDKIPVALGLKEKNLYLSCVLKDDKPTLQLESVDPKNYPKKKMEKRFVFNKIEINNKLEFESAQFPNWYISTSQAENMPVFLGGTKGGQDITDFTMQFVSS | B | 1.B | NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2=c3ccccc3=NC2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=c3ccccc3=NC2)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC2=CN=C3C=CC=C[C@@H]23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=c3ccccc3=NC2)C(=O)N[C@@H](CC(=... | PHE-TRP-ASP-SER-TRP-GLY-TYR-TRP-TYR-GLY-PRO-TRP-ASP-CCS-GLY-LYS-NH2 | 1.D | true | false | 2,090.841064 | false | 1 | 1 |
8ryk__1__1.A__1.C | train | 8ryk | X-RAY DIFFRACTION | 1.8 | true | APVRSLNCTLRDSQQKSLVMSGPYELKALHLQGQDMEQQVVFSMSFVQGEESNDKIPVALGLKEKNLYLSCVLKDDKPTLQLESVDPKNYPKKKMEKRFVFNKIEINNKLEFESAQFPNWYISTSQAENMPVFLGGTKGGQDITDFTMQFVSS | A | 1.A | NC(=O)[C@@H]1CSCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2=CN=C3C=CC=CC23)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CN=C3CC=CC=C23)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC2=c3ccccc3=NC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CN=C3C=CC=C[C@H]23)C(=O)N[C@@H](CC(=O)O)C(=O)N1 | PHE-TRP-ASP-SER-TRP-GLY-TYR-TRP-TYR-GLY-PRO-TRP-ASP-CCS-GLY | 1.C | true | false | 1,905.724609 | false | 1 | 1 |
8rzl__1__1.A_1.B_1.E__1.F | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | A | 1.A | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.F | true | true | 1,120.347534 | false | 3 | 1 |
8rzl__1__1.A_1.D_1.E__1.U | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | A | 1.A | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.U | true | true | 1,120.347534 | false | 3 | 1 |
8ruc__1__1.C_2.A__1.M_1.N | train | 8ruc | X-RAY DIFFRACTION | 1.6 | true | MSPQTETKASVEFKAGVKDYKLTYYTPEYETLDTDILAAFRVSPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTNLDRYKGRCYHIEPVAGEENQYICYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPVAYVKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEALYKAQAETGEIKGHYLNATAGTCEDMMKRAVFARELGVPIVMHDYLTGGFTANTTLSHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRL... | C | 1.C | [Mg+2] | MG | 1.M | false | false | 23.983944 | false | 2 | 2 |
8ruc__1__1.C_2.A__1.M_1.N | train | 8ruc | X-RAY DIFFRACTION | 1.6 | true | MSPQTETKASVEFKAGVKDYKLTYYTPEYETLDTDILAAFRVSPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTNLDRYKGRCYHIEPVAGEENQYICYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPVAYVKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEALYKAQAETGEIKGHYLNATAGTCEDMMKRAVFARELGVPIVMHDYLTGGFTANTTLSHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRL... | C | 1.C | O=C(O)[C@@](O)(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O | CAP | 1.N | true | false | 355.990967 | false | 2 | 2 |
8rzl__1__1.A_1.E__1.H | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | A | 1.A | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.H | true | true | 1,120.347534 | false | 2 | 1 |
8rzl__1__1.A_1.D__1.W | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | A | 1.A | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.W | true | true | 1,120.347534 | false | 2 | 1 |
8rzl__1__1.A_1.C_1.D__1.T | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | A | 1.A | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.T | true | true | 1,120.347534 | false | 3 | 1 |
8rzl__1__1.A_1.D_1.E__1.Y | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | A | 1.A | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.Y | true | true | 1,120.347534 | false | 3 | 1 |
8rzl__1__1.B_1.E__1.DA | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | B | 1.B | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.DA | true | true | 1,120.347534 | false | 2 | 1 |
8rzl__1__1.B_1.E__1.AA | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | B | 1.B | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.AA | true | true | 1,120.347534 | false | 2 | 1 |
8rzl__1__1.A_1.D__1.EA | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | A | 1.A | OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O | MAN | 1.EA | true | true | 180.063385 | false | 2 | 1 |
8rzl__1__1.A_1.E__1.G | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | A | 1.A | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.G | true | true | 1,120.347534 | false | 2 | 1 |
8rzl__1__1.B__1.M | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | B | 1.B | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.M | true | true | 1,120.347534 | false | 1 | 1 |
8rzl__1__1.A_1.B_1.E__1.J | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | A | 1.A | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.J | true | true | 1,120.347534 | false | 3 | 1 |
8rzl__1__1.B_1.E__1.FA | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | B | 1.B | OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O | MAN | 1.FA | true | true | 180.063385 | false | 2 | 1 |
8rzl__1__1.B_1.E__1.BA | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | B | 1.B | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.BA | true | true | 1,120.347534 | false | 2 | 1 |
8rzl__1__1.A_1.D__1.V | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | A | 1.A | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.V | true | true | 1,120.347534 | false | 2 | 1 |
8rzl__1__1.A_1.E__1.IA | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | A | 1.A | OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O | MAN | 1.IA | true | true | 180.063385 | false | 2 | 1 |
8rzl__1__1.C_1.D__1.Q | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | C | 1.C | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.Q | true | true | 1,120.347534 | false | 2 | 1 |
8rzl__1__1.A__1.I | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | A | 1.A | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.I | true | true | 1,120.347534 | false | 1 | 1 |
8rzl__1__1.A_1.C_1.D__1.P | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | A | 1.A | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.P | true | true | 1,120.347534 | false | 3 | 1 |
8rzl__1__1.B__1.N | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | B | 1.B | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.N | true | true | 1,120.347534 | false | 1 | 1 |
8rzl__1__1.C_1.D__1.R | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | C | 1.C | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.R | true | true | 1,120.347534 | false | 2 | 1 |
8rzl__1__1.B__1.O | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | B | 1.B | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.O | true | true | 1,120.347534 | false | 1 | 1 |
8rzl__1__1.C_1.D__1.HA | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | C | 1.C | OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O | MAN | 1.HA | true | false | 180.063385 | false | 2 | 1 |
8rzl__1__1.B__1.K | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | B | 1.B | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.K | true | true | 1,120.347534 | false | 1 | 1 |
8rzl__1__1.B__1.L | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | B | 1.B | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.L | true | true | 1,120.347534 | false | 1 | 1 |
8rzl__1__1.C__1.GA | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | C | 1.C | OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O | MAN | 1.GA | true | false | 180.063385 | false | 1 | 1 |
8rzl__1__1.B_1.E__1.Z | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | B | 1.B | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.Z | true | true | 1,120.347534 | false | 2 | 1 |
8rzl__1__1.C__1.S | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | C | 1.C | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.S | true | true | 1,120.347534 | false | 1 | 1 |
8rzl__1__1.D__1.X | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | D | 1.D | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.X | true | true | 1,120.347534 | false | 1 | 1 |
8rzl__1__1.E__1.CA | train | 8rzl | ELECTRON MICROSCOPY | 2.65 | true | DVIYYYQGQITVGNVAPPMYFAIQPNGNAKIGNNSNVPSYINAQPSSGGSGFTAQVNITNATYNYYFNFMGLAVSKTGYIYLAKVAYSYTATNNPIQNATLYIMNQQGQIVYKYKLIVNGVVNSTLPSTPLQINSGSYIVSLLIVPYQGTLPKTPSNDLATITVNFGFSPMTASPPPIPLPSP | E | 1.E | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | NAG-NAG-YZT-BGC-MAN-MAN | 1.CA | true | true | 1,120.347534 | false | 1 | 1 |
8s51__1__1.A_1.B_1.M__1.P_1.Z | train | 8s51 | ELECTRON MICROSCOPY | null | true | MHGGGPPSGDSACPLRTIKRVQFGVLSPDELKRMSVTEGGIKYPETTEGGRPKLGGLMDPRQGVIERTGRCQTCAGNMTECPGHFGHIELAKPVFHVGFLVKTMKVLRCVCFFCSKLLVDSNNPKIKDILAKSKGQPKKRLTHVYDLCKGKNICEGGEEMDNKFGVEQPEGDEDLTKEKGHGGCGRYQPRIRRSGLELYAEWKHVNEDSQEKKILLSPERVHEIFKRISDEECFVLGMEPRYARPEWMIVTVLPVPPLSVRPAVVMQGSARNQDDLTHKLADIVKINNQLRRNEQNGAAAHVIAEDVKLLQFHVATMVDN... | A | 1.A | N=c1ccn([C@@H]2O[C@H](CO[P@](=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3CO[P@](=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO[P@@](=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3CO[P@@](=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)=O)[C@@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)[nH]c4=... | A-C-A-C-C-C-A-G | 1.P | true | false | 2,552.370117 | false | 3 | 2 |
8s51__1__1.A_1.B_1.M__1.P_1.Z | train | 8s51 | ELECTRON MICROSCOPY | null | true | MKPLRPENPPKAELKGLLFVQQHCKTRLHSVAVTRPRGAATEESTPKLRMCSTNLSQALAYFRAGANLTAASLWAGFRGSRRIFWERRKRKSLCLALRPGGACWRWLLAVSCVSLRGLGAPGSCANMYDADEDMQYDEDDDEITPDLWQEACWIVISSYFDEKGLVRQQLDSFDEFIQMSVQRIVEDAPPIDLQAEAQHASGEVEEPPRYLLKFEQIYLSKPTHWERDGAPSPMMPNEARLRNLTYSAPLYVDITKTVIKEGEEQLQTQHQKTFIGKIPIMLRSTYCLLNGLTDRDLCELNECPLDPGGYFIINGSEKVL... | B | 1.B | N=c1ccn([C@@H]2O[C@H](CO[P@](=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3CO[P@](=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO[P@@](=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3CO[P@@](=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)=O)[C@@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)[nH]c4=... | A-C-A-C-C-C-A-G | 1.P | true | false | 2,552.370117 | false | 3 | 2 |
8s51__1__1.A_1.B_1.M__1.P_1.Z | train | 8s51 | ELECTRON MICROSCOPY | null | true | MASTSRLDALPRVTCPNHPDAILVEDYRAGDMICPECGLVVGDRVIDVGSEWRTFSNDKATKDPSRVGDSQNPLLSDGDLSTMIGKGTGAASFDEFGNSKYQNRRTMSSSDRAMMNAFKEITTMADRINLPRNIVDRTNNLFKQVYEQKSLKGRANDAIASACLYIACRQEGVPRTFKEICAVSRISKKEIGRCFKLILKALETSVDLITTGDFMSRFCSNLCLPKQVQMAATHIARKAVELDLVPGRSPISVAAAAIYMASQASAEKRTQKEIGDIAGVADVTIRQSYRLIYPRAPDLFPTDFKFDTPVDKLPQL | M | 1.M | N=c1ccn([C@@H]2O[C@H](CO[P@](=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3CO[P@](=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO[P@@](=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3CO[P@@](=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)=O)[C@@H](O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)[nH]c4=... | A-C-A-C-C-C-A-G | 1.P | true | false | 2,552.370117 | false | 3 | 2 |
8s51__1__1.A_1.B_1.M__1.P_1.Z | train | 8s51 | ELECTRON MICROSCOPY | null | true | MHGGGPPSGDSACPLRTIKRVQFGVLSPDELKRMSVTEGGIKYPETTEGGRPKLGGLMDPRQGVIERTGRCQTCAGNMTECPGHFGHIELAKPVFHVGFLVKTMKVLRCVCFFCSKLLVDSNNPKIKDILAKSKGQPKKRLTHVYDLCKGKNICEGGEEMDNKFGVEQPEGDEDLTKEKGHGGCGRYQPRIRRSGLELYAEWKHVNEDSQEKKILLSPERVHEIFKRISDEECFVLGMEPRYARPEWMIVTVLPVPPLSVRPAVVMQGSARNQDDLTHKLADIVKINNQLRRNEQNGAAAHVIAEDVKLLQFHVATMVDN... | A | 1.A | [Mg+2] | MG | 1.Z | false | false | 23.983944 | false | 3 | 2 |
8s7c__1__1.A__1.M | train | 8s7c | X-RAY DIFFRACTION | 4.7 | true | MAREPEEEETVRPAAVVRRCPRCPGWPGAPRPPLWLLCLVACWILGAVADADFSILDEAQVLASQMRRLAAEELGVVTMQRIFNSLVYTEKISNGESEVQQLAKKIREKFNRYLDVVNRNKQVVEASYTAHLTSPLTAIQDCCTIPPSMMEFDGNFNTNVSRTVSCDRLSTTVNSRAFNPGRDLNSVLADNLKSNPGIKWQYFSSEEGIFTVFPAHKFRCKGSYEHRSRPIYVSTVRPQSKHIVVILDHGASVTDTQLQIAKDAAQVILSAIDEHDKISVLTVADAVRTCSLDQCYKTYLSPATSETKRKMSTFVSSVKP... | A | 1.A | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.M | true | true | 221.089935 | false | 1 | 1 |
8s3e__1__1.A__1.K | train | 8s3e | ELECTRON MICROSCOPY | null | true | MDALIIPVTMEVPCDSRGQRMWWAFLASSMVTFFGGLFIILLWRTLKYLWTVCCHCGGKAKEAQKINNGSSQADGTLKPVDEKEEAVAAEVGWMTSVKDWAGVMISAQTLTGRVLVVLVFALSIGALVIYFIDSSNPIESCQNFYKDFTLQIDMAFNVFFLLYFGLRFIAANDKLWFWLEVNSVVDFFTVPPVFVSVYLNRSWLGLRFLRALRLIQFSEILQFLNILKTSNSIKLVNLLSIFISTWLTAAGFIHLVENSGDPWENFQNNQALTYWECVYLLMVTMSTVGYGDVYAKTTLGRLFMVFFILGGLAMFASYVP... | A | 1.A | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | CLR | 1.K | true | false | 386.354858 | false | 1 | 1 |
8s3e__1__1.B__1.EA | train | 8s3e | ELECTRON MICROSCOPY | null | true | MDALIIPVTMEVPCDSRGQRMWWAFLASSMVTFFGGLFIILLWRTLKYLWTVCCHCGGKAKEAQKINNGSSQADGTLKPVDEKEEAVAAEVGWMTSVKDWAGVMISAQTLTGRVLVVLVFALSIGALVIYFIDSSNPIESCQNFYKDFTLQIDMAFNVFFLLYFGLRFIAANDKLWFWLEVNSVVDFFTVPPVFVSVYLNRSWLGLRFLRALRLIQFSEILQFLNILKTSNSIKLVNLLSIFISTWLTAAGFIHLVENSGDPWENFQNNQALTYWECVYLLMVTMSTVGYGDVYAKTTLGRLFMVFFILGGLAMFASYVP... | B | 1.B | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | CLR | 1.EA | true | false | 386.354858 | false | 1 | 1 |
8s3e__1__1.C__1.VA | train | 8s3e | ELECTRON MICROSCOPY | null | true | MDALIIPVTMEVPCDSRGQRMWWAFLASSMVTFFGGLFIILLWRTLKYLWTVCCHCGGKAKEAQKINNGSSQADGTLKPVDEKEEAVAAEVGWMTSVKDWAGVMISAQTLTGRVLVVLVFALSIGALVIYFIDSSNPIESCQNFYKDFTLQIDMAFNVFFLLYFGLRFIAANDKLWFWLEVNSVVDFFTVPPVFVSVYLNRSWLGLRFLRALRLIQFSEILQFLNILKTSNSIKLVNLLSIFISTWLTAAGFIHLVENSGDPWENFQNNQALTYWECVYLLMVTMSTVGYGDVYAKTTLGRLFMVFFILGGLAMFASYVP... | C | 1.C | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | CLR | 1.VA | true | false | 386.354858 | false | 1 | 1 |
8s5l__1__1.B__1.G | train | 8s5l | ELECTRON MICROSCOPY | null | true | SMPSETPQAEVGPTGCPHRSGPHSAKGSLEKGSPEDKEAKEPLWIRPDAPSRCTWQLGRPASESPHHHTAPAKSPKILPDILKKIGDTPMVRINKIGKKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTIIEPTSGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPTNARFDSPESHVGVAWRLKNEIPNSHILDQYRNASNPLAHYDTTADEILQQCDGKLDMLVASVGTGGTITGIARKLKEKCPGCRIIGVDPEGSILAEPEELNQTEQTTYEVEGIGYDFIPTVLDRTV... | B | 1.B | Cc1ncc(COP(=O)(O)O)c(C=O)c1O | PLP | 1.G | true | false | 247.024567 | false | 1 | 1 |
8s3e__1__1.D__1.LB | train | 8s3e | ELECTRON MICROSCOPY | null | true | MDALIIPVTMEVPCDSRGQRMWWAFLASSMVTFFGGLFIILLWRTLKYLWTVCCHCGGKAKEAQKINNGSSQADGTLKPVDEKEEAVAAEVGWMTSVKDWAGVMISAQTLTGRVLVVLVFALSIGALVIYFIDSSNPIESCQNFYKDFTLQIDMAFNVFFLLYFGLRFIAANDKLWFWLEVNSVVDFFTVPPVFVSVYLNRSWLGLRFLRALRLIQFSEILQFLNILKTSNSIKLVNLLSIFISTWLTAAGFIHLVENSGDPWENFQNNQALTYWECVYLLMVTMSTVGYGDVYAKTTLGRLFMVFFILGGLAMFASYVP... | D | 1.D | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | CLR | 1.LB | true | false | 386.354858 | false | 1 | 1 |
8s5l__1__1.C__1.I | train | 8s5l | ELECTRON MICROSCOPY | null | true | SMPSETPQAEVGPTGCPHRSGPHSAKGSLEKGSPEDKEAKEPLWIRPDAPSRCTWQLGRPASESPHHHTAPAKSPKILPDILKKIGDTPMVRINKIGKKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTIIEPTSGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPTNARFDSPESHVGVAWRLKNEIPNSHILDQYRNASNPLAHYDTTADEILQQCDGKLDMLVASVGTGGTITGIARKLKEKCPGCRIIGVDPEGSILAEPEELNQTEQTTYEVEGIGYDFIPTVLDRTV... | C | 1.C | Cc1ncc(COP(=O)(O)O)c(C=O)c1O | PLP | 1.I | true | false | 247.024567 | false | 1 | 1 |
8s7c__1__1.A__1.L | train | 8s7c | X-RAY DIFFRACTION | 4.7 | true | MAREPEEEETVRPAAVVRRCPRCPGWPGAPRPPLWLLCLVACWILGAVADADFSILDEAQVLASQMRRLAAEELGVVTMQRIFNSLVYTEKISNGESEVQQLAKKIREKFNRYLDVVNRNKQVVEASYTAHLTSPLTAIQDCCTIPPSMMEFDGNFNTNVSRTVSCDRLSTTVNSRAFNPGRDLNSVLADNLKSNPGIKWQYFSSEEGIFTVFPAHKFRCKGSYEHRSRPIYVSTVRPQSKHIVVILDHGASVTDTQLQIAKDAAQVILSAIDEHDKISVLTVADAVRTCSLDQCYKTYLSPATSETKRKMSTFVSSVKP... | A | 1.A | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.L | true | true | 221.089935 | false | 1 | 1 |
8s7c__2__1.D__1.U | train | 8s7c | X-RAY DIFFRACTION | 4.7 | true | MAREPEEEETVRPAAVVRRCPRCPGWPGAPRPPLWLLCLVACWILGAVADADFSILDEAQVLASQMRRLAAEELGVVTMQRIFNSLVYTEKISNGESEVQQLAKKIREKFNRYLDVVNRNKQVVEASYTAHLTSPLTAIQDCCTIPPSMMEFDGNFNTNVSRTVSCDRLSTTVNSRAFNPGRDLNSVLADNLKSNPGIKWQYFSSEEGIFTVFPAHKFRCKGSYEHRSRPIYVSTVRPQSKHIVVILDHGASVTDTQLQIAKDAAQVILSAIDEHDKISVLTVADAVRTCSLDQCYKTYLSPATSETKRKMSTFVSSVKP... | D | 1.D | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.U | true | true | 221.089935 | false | 1 | 1 |
8s7c__1__1.A__1.N | train | 8s7c | X-RAY DIFFRACTION | 4.7 | true | MAREPEEEETVRPAAVVRRCPRCPGWPGAPRPPLWLLCLVACWILGAVADADFSILDEAQVLASQMRRLAAEELGVVTMQRIFNSLVYTEKISNGESEVQQLAKKIREKFNRYLDVVNRNKQVVEASYTAHLTSPLTAIQDCCTIPPSMMEFDGNFNTNVSRTVSCDRLSTTVNSRAFNPGRDLNSVLADNLKSNPGIKWQYFSSEEGIFTVFPAHKFRCKGSYEHRSRPIYVSTVRPQSKHIVVILDHGASVTDTQLQIAKDAAQVILSAIDEHDKISVLTVADAVRTCSLDQCYKTYLSPATSETKRKMSTFVSSVKP... | A | 1.A | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.N | true | true | 221.089935 | false | 1 | 1 |
8s7c__1__1.A__1.O | train | 8s7c | X-RAY DIFFRACTION | 4.7 | true | MAREPEEEETVRPAAVVRRCPRCPGWPGAPRPPLWLLCLVACWILGAVADADFSILDEAQVLASQMRRLAAEELGVVTMQRIFNSLVYTEKISNGESEVQQLAKKIREKFNRYLDVVNRNKQVVEASYTAHLTSPLTAIQDCCTIPPSMMEFDGNFNTNVSRTVSCDRLSTTVNSRAFNPGRDLNSVLADNLKSNPGIKWQYFSSEEGIFTVFPAHKFRCKGSYEHRSRPIYVSTVRPQSKHIVVILDHGASVTDTQLQIAKDAAQVILSAIDEHDKISVLTVADAVRTCSLDQCYKTYLSPATSETKRKMSTFVSSVKP... | A | 1.A | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.O | true | true | 221.089935 | false | 1 | 1 |
8s7c__1__1.A__1.P | train | 8s7c | X-RAY DIFFRACTION | 4.7 | true | MAREPEEEETVRPAAVVRRCPRCPGWPGAPRPPLWLLCLVACWILGAVADADFSILDEAQVLASQMRRLAAEELGVVTMQRIFNSLVYTEKISNGESEVQQLAKKIREKFNRYLDVVNRNKQVVEASYTAHLTSPLTAIQDCCTIPPSMMEFDGNFNTNVSRTVSCDRLSTTVNSRAFNPGRDLNSVLADNLKSNPGIKWQYFSSEEGIFTVFPAHKFRCKGSYEHRSRPIYVSTVRPQSKHIVVILDHGASVTDTQLQIAKDAAQVILSAIDEHDKISVLTVADAVRTCSLDQCYKTYLSPATSETKRKMSTFVSSVKP... | A | 1.A | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.P | true | true | 221.089935 | false | 1 | 1 |
8s7c__2__1.D__1.X | train | 8s7c | X-RAY DIFFRACTION | 4.7 | true | MAREPEEEETVRPAAVVRRCPRCPGWPGAPRPPLWLLCLVACWILGAVADADFSILDEAQVLASQMRRLAAEELGVVTMQRIFNSLVYTEKISNGESEVQQLAKKIREKFNRYLDVVNRNKQVVEASYTAHLTSPLTAIQDCCTIPPSMMEFDGNFNTNVSRTVSCDRLSTTVNSRAFNPGRDLNSVLADNLKSNPGIKWQYFSSEEGIFTVFPAHKFRCKGSYEHRSRPIYVSTVRPQSKHIVVILDHGASVTDTQLQIAKDAAQVILSAIDEHDKISVLTVADAVRTCSLDQCYKTYLSPATSETKRKMSTFVSSVKP... | D | 1.D | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.X | true | true | 221.089935 | false | 1 | 1 |
8s7c__3__1.G__1.FA | train | 8s7c | X-RAY DIFFRACTION | 4.7 | true | MAREPEEEETVRPAAVVRRCPRCPGWPGAPRPPLWLLCLVACWILGAVADADFSILDEAQVLASQMRRLAAEELGVVTMQRIFNSLVYTEKISNGESEVQQLAKKIREKFNRYLDVVNRNKQVVEASYTAHLTSPLTAIQDCCTIPPSMMEFDGNFNTNVSRTVSCDRLSTTVNSRAFNPGRDLNSVLADNLKSNPGIKWQYFSSEEGIFTVFPAHKFRCKGSYEHRSRPIYVSTVRPQSKHIVVILDHGASVTDTQLQIAKDAAQVILSAIDEHDKISVLTVADAVRTCSLDQCYKTYLSPATSETKRKMSTFVSSVKP... | G | 1.G | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.FA | true | false | 221.089935 | false | 1 | 1 |
8s7c__2__1.D__1.W | train | 8s7c | X-RAY DIFFRACTION | 4.7 | true | MAREPEEEETVRPAAVVRRCPRCPGWPGAPRPPLWLLCLVACWILGAVADADFSILDEAQVLASQMRRLAAEELGVVTMQRIFNSLVYTEKISNGESEVQQLAKKIREKFNRYLDVVNRNKQVVEASYTAHLTSPLTAIQDCCTIPPSMMEFDGNFNTNVSRTVSCDRLSTTVNSRAFNPGRDLNSVLADNLKSNPGIKWQYFSSEEGIFTVFPAHKFRCKGSYEHRSRPIYVSTVRPQSKHIVVILDHGASVTDTQLQIAKDAAQVILSAIDEHDKISVLTVADAVRTCSLDQCYKTYLSPATSETKRKMSTFVSSVKP... | D | 1.D | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.W | true | false | 221.089935 | false | 1 | 1 |
8s7c__2__1.D__1.Y | train | 8s7c | X-RAY DIFFRACTION | 4.7 | true | MAREPEEEETVRPAAVVRRCPRCPGWPGAPRPPLWLLCLVACWILGAVADADFSILDEAQVLASQMRRLAAEELGVVTMQRIFNSLVYTEKISNGESEVQQLAKKIREKFNRYLDVVNRNKQVVEASYTAHLTSPLTAIQDCCTIPPSMMEFDGNFNTNVSRTVSCDRLSTTVNSRAFNPGRDLNSVLADNLKSNPGIKWQYFSSEEGIFTVFPAHKFRCKGSYEHRSRPIYVSTVRPQSKHIVVILDHGASVTDTQLQIAKDAAQVILSAIDEHDKISVLTVADAVRTCSLDQCYKTYLSPATSETKRKMSTFVSSVKP... | D | 1.D | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.Y | true | true | 221.089935 | false | 1 | 1 |
8s7c__2__1.E__1.Z | train | 8s7c | X-RAY DIFFRACTION | 4.7 | true | ETHASKAPVCQEITVPMCRGIGYNLTHMPNQFNHDTQDEAGLEVHQFWPLVEIHCSPDLRFFLCSMYTPICLPDYHKPLPPCRSVCERAKAGCSPLMRQYGFAWPERMSCDRLPVLGGDAEVLCMDYNRSEATGLEVLFQ | E | 1.E | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O | NAG | 1.Z | true | false | 221.089935 | false | 1 | 1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.