data_Remediated_restraints_file_for_PDB_entry_1tcg # This BMRB archive file contains, for PDB entry 1tcg: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process, minor modifications could # have occurred to the NMR restraints information, or data could have been lost # because of parsing or conversion errors. The PDB file remains the # authoritative reference for the atomic coordinates and the originally deposited # restraints files remain the primary reference for these data. # # This file is generated as part of the wwPDB at the BioMagResBank (BMRB) in # collaboration with the PDBe (formerly MSD) group at the European # Bioinformatics Institute (EBI) and the CMBI/IMM group at the Radboud # University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389-396. ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID rr_1tcg _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1tcg' _Entry.Version_type original _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Contains the remediated restraint lists and coordinates for PDB entry 1tcg' _Entry.PDB_coordinate_file_version 3.20 loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1tcg 'Master copy' rr_1tcg stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1tcg _Assembly.ID 1 _Assembly.Name 1tcg _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 2615.0858 loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'MU CONOTOXIN GIIIA' 1 $MU_CONOTOXIN_GIIIA A . no . . . . . . rr_1tcg 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MU_CONOTOXIN_GIIIA _Entity.Sf_category entity _Entity.Sf_framecode MU_CONOTOXIN_GIIIA _Entity.Entry_ID rr_1tcg _Entity.ID 1 _Entity.Name MU_CONOTOXIN_GIIIA _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ; RDCCTPPKKCKDRQCKPQRC CAX ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality yes _Entity.Nstd_linkage yes _Entity.Number_of_monomers 23 _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 2615.0858 loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ARG . rr_1tcg 1 2 . ASP . rr_1tcg 1 3 . CYS . rr_1tcg 1 4 . CYS . rr_1tcg 1 5 . THR . rr_1tcg 1 6 . HYP . rr_1tcg 1 7 . HYP . rr_1tcg 1 8 . LYS . rr_1tcg 1 9 . LYS . rr_1tcg 1 10 . CYS . rr_1tcg 1 11 . LYS . rr_1tcg 1 12 . ASP . rr_1tcg 1 13 . ARG . rr_1tcg 1 14 . GLN . rr_1tcg 1 15 . CYS . rr_1tcg 1 16 . LYS . rr_1tcg 1 17 . HYP . rr_1tcg 1 18 . GLN . rr_1tcg 1 19 . ARG . rr_1tcg 1 20 . CYS . rr_1tcg 1 21 . CYS . rr_1tcg 1 22 . ALA . rr_1tcg 1 23 . NH2 . rr_1tcg 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ARG 1 1 rr_1tcg 1 . ASP 2 2 rr_1tcg 1 . CYS 3 3 rr_1tcg 1 . CYS 4 4 rr_1tcg 1 . THR 5 5 rr_1tcg 1 . HYP 6 6 rr_1tcg 1 . HYP 7 7 rr_1tcg 1 . LYS 8 8 rr_1tcg 1 . LYS 9 9 rr_1tcg 1 . CYS 10 10 rr_1tcg 1 . LYS 11 11 rr_1tcg 1 . ASP 12 12 rr_1tcg 1 . ARG 13 13 rr_1tcg 1 . GLN 14 14 rr_1tcg 1 . CYS 15 15 rr_1tcg 1 . LYS 16 16 rr_1tcg 1 . HYP 17 17 rr_1tcg 1 . GLN 18 18 rr_1tcg 1 . ARG 19 19 rr_1tcg 1 . CYS 20 20 rr_1tcg 1 . CYS 21 21 rr_1tcg 1 . ALA 22 22 rr_1tcg 1 . NH2 23 23 rr_1tcg 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_HYP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HYP _Chem_comp.Entry_ID rr_1tcg _Chem_comp.ID HYP _Chem_comp.Name 4-HYDROXYPROLINE _Chem_comp.Type 'L-peptide linking' _Chem_comp.PDB_code HYP _Chem_comp.Std_deriv_one_letter_code P _Chem_comp.Std_deriv_three_letter_code Pro _Chem_comp.Std_deriv_PDB_code PRO _Chem_comp.Std_deriv_chem_comp_name PROLINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H7 N O2' _Chem_comp.Formula_weight 113.1158 loop_ _Chem_comp_common_name.Name _Chem_comp_common_name.Type _Chem_comp_common_name.Entry_ID _Chem_comp_common_name.Comp_ID (4R)-4-hydroxy-L-proline name rr_1tcg HYP stop_ save_ save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID rr_1tcg _Chem_comp.ID NH2 _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type non-polymer _Chem_comp.PDB_code NH2 _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.0225 save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID rr_1tcg _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 1 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID rr_1tcg _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . rr_1tcg 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . rr_1tcg 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 ARG C C 0.925 0.311 -2.270 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . rr_1tcg 1 . 1 . 2 . 1 1 1 ARG CA C -0.315 0.430 -1.387 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . rr_1tcg 1 . 1 . 3 . 1 1 1 ARG CB C -0.772 1.894 -1.387 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . rr_1tcg 1 . 1 . 4 . 1 1 1 ARG CD C -2.634 3.432 -0.764 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . rr_1tcg 1 . 1 . 5 . 1 1 1 ARG CG C -2.090 2.009 -0.618 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . rr_1tcg 1 . 1 . 6 . 1 1 1 ARG CZ C -2.868 3.985 1.573 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . rr_1tcg 1 . 1 . 7 . 1 1 1 ARG H1 H -0.800 0.231 0.625 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . rr_1tcg 1 . 1 . 8 . 1 1 1 ARG H2 H 0.167 -1.026 0.017 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . rr_1tcg 1 . 1 . 9 . 1 1 1 ARG H3 H 0.852 0.495 0.332 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H3 . . . . . . . . . rr_1tcg 1 . 1 . 10 . 1 1 1 ARG HA H -1.091 -0.217 -1.786 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . rr_1tcg 1 . 1 . 11 . 1 1 1 ARG HB2 H -0.021 2.508 -0.912 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . rr_1tcg 1 . 1 . 12 . 1 1 1 ARG HB3 H -0.914 2.230 -2.403 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . rr_1tcg 1 . 1 . 13 . 1 1 1 ARG HD2 H -1.816 4.132 -0.837 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . rr_1tcg 1 . 1 . 14 . 1 1 1 ARG HD3 H -3.247 3.502 -1.651 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . rr_1tcg 1 . 1 . 15 . 1 1 1 ARG HE H -4.435 3.800 0.365 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . rr_1tcg 1 . 1 . 16 . 1 1 1 ARG HG2 H -2.806 1.305 -1.016 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . rr_1tcg 1 . 1 . 17 . 1 1 1 ARG HG3 H -1.922 1.791 0.426 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . rr_1tcg 1 . 1 . 18 . 1 1 1 ARG HH11 H -2.071 5.711 0.945 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . rr_1tcg 1 . 1 . 19 . 1 1 1 ARG HH12 H -1.695 5.261 2.575 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . rr_1tcg 1 . 1 . 20 . 1 1 1 ARG HH21 H -3.559 2.297 2.399 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . rr_1tcg 1 . 1 . 21 . 1 1 1 ARG HH22 H -2.560 3.277 3.420 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . rr_1tcg 1 . 1 . 22 . 1 1 1 ARG N N 0.000 0.000 0.000 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . rr_1tcg 1 . 1 . 23 . 1 1 1 ARG NE N -3.459 3.758 0.433 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . rr_1tcg 1 . 1 . 24 . 1 1 1 ARG NH1 N -2.156 5.070 1.708 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . rr_1tcg 1 . 1 . 25 . 1 1 1 ARG NH2 N -3.006 3.119 2.539 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . rr_1tcg 1 . 1 . 26 . 1 1 1 ARG O O 1.958 0.875 -1.970 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . rr_1tcg 1 . 1 . 27 . 1 1 2 ASP C C 1.518 -0.720 -5.698 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . rr_1tcg 1 . 1 . 28 . 1 1 2 ASP CA C 1.963 -0.582 -4.255 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . rr_1tcg 1 . 1 . 29 . 1 1 2 ASP CB C 2.742 -1.836 -3.850 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . rr_1tcg 1 . 1 . 30 . 1 1 2 ASP CG C 4.221 -1.481 -3.688 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . rr_1tcg 1 . 1 . 31 . 1 1 2 ASP H H -0.054 -0.857 -3.550 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . rr_1tcg 1 . 1 . 32 . 1 1 2 ASP HA H 2.589 0.299 -4.188 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . rr_1tcg 1 . 1 . 33 . 1 1 2 ASP HB2 H 2.361 -2.217 -2.914 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . rr_1tcg 1 . 1 . 34 . 1 1 2 ASP HB3 H 2.640 -2.590 -4.615 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . rr_1tcg 1 . 1 . 35 . 1 1 2 ASP N N 0.799 -0.420 -3.345 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . rr_1tcg 1 . 1 . 36 . 1 1 2 ASP O O 0.351 -0.890 -5.986 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . rr_1tcg 1 . 1 . 37 . 1 1 2 ASP OD1 O 4.557 -1.040 -2.601 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . rr_1tcg 1 . 1 . 38 . 1 1 2 ASP OD2 O 4.933 -1.671 -4.661 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . rr_1tcg 1 . 1 . 39 . 1 1 3 CYS C C 1.279 -1.967 -8.332 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . rr_1tcg 1 . 1 . 40 . 1 1 3 CYS CA C 2.165 -0.774 -8.012 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . rr_1tcg 1 . 1 . 41 . 1 1 3 CYS CB C 3.481 -0.949 -8.780 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . rr_1tcg 1 . 1 . 42 . 1 1 3 CYS H H 3.402 -0.535 -6.278 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . rr_1tcg 1 . 1 . 43 . 1 1 3 CYS HA H 1.660 0.132 -8.316 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . rr_1tcg 1 . 1 . 44 . 1 1 3 CYS HB2 H 3.735 -2.000 -8.784 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . rr_1tcg 1 . 1 . 45 . 1 1 3 CYS HB3 H 3.317 -0.660 -9.804 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . rr_1tcg 1 . 1 . 46 . 1 1 3 CYS N N 2.476 -0.657 -6.572 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . rr_1tcg 1 . 1 . 47 . 1 1 3 CYS O O 0.522 -1.921 -9.279 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . rr_1tcg 1 . 1 . 48 . 1 1 3 CYS SG S 4.912 -0.028 -8.173 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . rr_1tcg 1 . 1 . 49 . 1 1 4 CYS C C -0.076 -4.825 -6.587 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_1tcg 1 . 1 . 50 . 1 1 4 CYS CA C 0.524 -4.191 -7.840 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_1tcg 1 . 1 . 51 . 1 1 4 CYS CB C 1.413 -5.218 -8.539 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_1tcg 1 . 1 . 52 . 1 1 4 CYS H H 1.995 -3.008 -6.791 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_1tcg 1 . 1 . 53 . 1 1 4 CYS HA H -0.293 -3.895 -8.493 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_1tcg 1 . 1 . 54 . 1 1 4 CYS HB2 H 1.226 -6.191 -8.107 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_1tcg 1 . 1 . 55 . 1 1 4 CYS HB3 H 1.114 -5.246 -9.570 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_1tcg 1 . 1 . 56 . 1 1 4 CYS N N 1.374 -3.007 -7.548 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_1tcg 1 . 1 . 57 . 1 1 4 CYS O O -0.844 -5.761 -6.689 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_1tcg 1 . 1 . 58 . 1 1 4 CYS SG S 3.197 -4.928 -8.529 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_1tcg 1 . 1 . 59 . 1 1 5 THR C C -1.752 -4.411 -4.049 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_1tcg 1 . 1 . 60 . 1 1 5 THR CA C -0.321 -4.957 -4.218 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_1tcg 1 . 1 . 61 . 1 1 5 THR CB C 0.504 -4.553 -2.987 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_1tcg 1 . 1 . 62 . 1 1 5 THR CG2 C 0.565 -5.663 -1.919 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_1tcg 1 . 1 . 63 . 1 1 5 THR H H 0.899 -3.588 -5.362 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_1tcg 1 . 1 . 64 . 1 1 5 THR HA H -0.326 -6.026 -4.368 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_1tcg 1 . 1 . 65 . 1 1 5 THR HB H 0.155 -3.617 -2.582 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_1tcg 1 . 1 . 66 . 1 1 5 THR HG1 H 1.811 -4.182 -4.370 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_1tcg 1 . 1 . 67 . 1 1 5 THR HG21 H 0.633 -6.634 -2.386 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_1tcg 1 . 1 . 68 . 1 1 5 THR HG22 H 1.433 -5.513 -1.295 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_1tcg 1 . 1 . 69 . 1 1 5 THR HG23 H -0.323 -5.624 -1.298 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_1tcg 1 . 1 . 70 . 1 1 5 THR N N 0.271 -4.337 -5.430 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_1tcg 1 . 1 . 71 . 1 1 5 THR O O -1.977 -3.239 -4.269 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_1tcg 1 . 1 . 72 . 1 1 5 THR OG1 O 1.836 -4.441 -3.446 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_1tcg 1 . 1 . 73 . 1 1 6 HYP C C -4.199 -3.665 -2.423 . . . 1.0 . . . . . . . . . . . . A . 6 HYP C . . . . . . . . . rr_1tcg 1 . 1 . 74 . 1 1 6 HYP CA C -4.091 -4.789 -3.479 . . . 1.0 . . . . . . . . . . . . A . 6 HYP CA . . . . . . . . . rr_1tcg 1 . 1 . 75 . 1 1 6 HYP CB C -4.828 -6.030 -2.938 . . . 1.0 . . . . . . . . . . . . A . 6 HYP CB . . . . . . . . . rr_1tcg 1 . 1 . 76 . 1 1 6 HYP CD C -2.467 -6.668 -3.350 . . . 1.0 . . . . . . . . . . . . A . 6 HYP CD . . . . . . . . . rr_1tcg 1 . 1 . 77 . 1 1 6 HYP CG C -3.762 -7.120 -2.698 . . . 1.0 . . . . . . . . . . . . A . 6 HYP CG . . . . . . . . . rr_1tcg 1 . 1 . 78 . 1 1 6 HYP HA H -4.486 -4.492 -4.431 . . . 1.0 . . . . . . . . . . . . A . 6 HYP HA . . . . . . . . . rr_1tcg 1 . 1 . 79 . 1 1 6 HYP HB2 H -5.326 -5.789 -2.010 . . . 1.0 . . . . . . . . . . . . A . 6 HYP HB2 . . . . . . . . . rr_1tcg 1 . 1 . 80 . 1 1 6 HYP HB3 H -5.554 -6.375 -3.660 . . . 1.0 . . . . . . . . . . . . A . 6 HYP HB3 . . . . . . . . . rr_1tcg 1 . 1 . 81 . 1 1 6 HYP HD1 H -4.147 -9.019 -2.857 . . . 1.0 . . . . . . . . . . . . A . 6 HYP HD1 . . . . . . . . . rr_1tcg 1 . 1 . 82 . 1 1 6 HYP HD22 H -2.283 -7.226 -4.255 . . . 1.0 . . . . . . . . . . . . A . 6 HYP HD22 . . . . . . . . . rr_1tcg 1 . 1 . 83 . 1 1 6 HYP HD23 H -1.650 -6.774 -2.667 . . . 1.0 . . . . . . . . . . . . A . 6 HYP HD23 . . . . . . . . . rr_1tcg 1 . 1 . 84 . 1 1 6 HYP HG H -3.622 -7.342 -1.649 . . . 1.0 . . . . . . . . . . . . A . 6 HYP HG . . . . . . . . . rr_1tcg 1 . 1 . 85 . 1 1 6 HYP N N -2.695 -5.244 -3.660 . . . 1.0 . . . . . . . . . . . . A . 6 HYP N . . . . . . . . . rr_1tcg 1 . 1 . 86 . 1 1 6 HYP O O -3.799 -3.871 -1.295 . . . 1.0 . . . . . . . . . . . . A . 6 HYP O . . . . . . . . . rr_1tcg 1 . 1 . 87 . 1 1 6 HYP OD1 O -4.192 -8.254 -3.435 . . . 1.0 . . . . . . . . . . . . A . 6 HYP OD1 . . . . . . . . . rr_1tcg 1 . 1 . 88 . 1 1 7 HYP C C -4.046 -1.889 -5.093 . . . 1.0 . . . . . . . . . . . . A . 7 HYP C . . . . . . . . . rr_1tcg 1 . 1 . 89 . 1 1 7 HYP CA C -5.215 -2.120 -4.130 . . . 1.0 . . . . . . . . . . . . A . 7 HYP CA . . . . . . . . . rr_1tcg 1 . 1 . 90 . 1 1 7 HYP CB C -5.938 -0.774 -3.928 . . . 1.0 . . . . . . . . . . . . A . 7 HYP CB . . . . . . . . . rr_1tcg 1 . 1 . 91 . 1 1 7 HYP CD C -4.912 -1.437 -1.753 . . . 1.0 . . . . . . . . . . . . A . 7 HYP CD . . . . . . . . . rr_1tcg 1 . 1 . 92 . 1 1 7 HYP CG C -5.691 -0.334 -2.471 . . . 1.0 . . . . . . . . . . . . A . 7 HYP CG . . . . . . . . . rr_1tcg 1 . 1 . 93 . 1 1 7 HYP HA H -5.897 -2.866 -4.518 . . . 1.0 . . . . . . . . . . . . A . 7 HYP HA . . . . . . . . . rr_1tcg 1 . 1 . 94 . 1 1 7 HYP HB2 H -5.540 -0.036 -4.609 . . . 1.0 . . . . . . . . . . . . A . 7 HYP HB2 . . . . . . . . . rr_1tcg 1 . 1 . 95 . 1 1 7 HYP HB3 H -6.997 -0.894 -4.103 . . . 1.0 . . . . . . . . . . . . A . 7 HYP HB3 . . . . . . . . . rr_1tcg 1 . 1 . 96 . 1 1 7 HYP HD1 H -7.629 -0.206 -2.550 . . . 1.0 . . . . . . . . . . . . A . 7 HYP HD1 . . . . . . . . . rr_1tcg 1 . 1 . 97 . 1 1 7 HYP HD22 H -5.479 -1.821 -0.918 . . . 1.0 . . . . . . . . . . . . A . 7 HYP HD22 . . . . . . . . . rr_1tcg 1 . 1 . 98 . 1 1 7 HYP HD23 H -3.953 -1.071 -1.418 . . . 1.0 . . . . . . . . . . . . A . 7 HYP HD23 . . . . . . . . . rr_1tcg 1 . 1 . 99 . 1 1 7 HYP HG H -5.200 0.626 -2.407 . . . 1.0 . . . . . . . . . . . . A . 7 HYP HG . . . . . . . . . rr_1tcg 1 . 1 . 100 . 1 1 7 HYP N N -4.728 -2.492 -2.770 . . . 1.0 . . . . . . . . . . . . A . 7 HYP N . . . . . . . . . rr_1tcg 1 . 1 . 101 . 1 1 7 HYP O O -3.168 -1.099 -4.810 . . . 1.0 . . . . . . . . . . . . A . 7 HYP O . . . . . . . . . rr_1tcg 1 . 1 . 102 . 1 1 7 HYP OD1 O -6.972 -0.312 -1.859 . . . 1.0 . . . . . . . . . . . . A . 7 HYP OD1 . . . . . . . . . rr_1tcg 1 . 1 . 103 . 1 1 8 LYS C C -2.738 -0.877 -7.458 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1tcg 1 . 1 . 104 . 1 1 8 LYS CA C -2.921 -2.365 -7.166 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1tcg 1 . 1 . 105 . 1 1 8 LYS CB C -3.254 -3.083 -8.479 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1tcg 1 . 1 . 106 . 1 1 8 LYS CD C -2.949 -5.398 -9.394 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1tcg 1 . 1 . 107 . 1 1 8 LYS CE C -3.004 -6.882 -9.035 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1tcg 1 . 1 . 108 . 1 1 8 LYS CG C -3.452 -4.577 -8.200 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1tcg 1 . 1 . 109 . 1 1 8 LYS H H -4.766 -3.201 -6.409 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1tcg 1 . 1 . 110 . 1 1 8 LYS HA H -2.007 -2.756 -6.729 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1tcg 1 . 1 . 111 . 1 1 8 LYS HB2 H -4.157 -2.671 -8.896 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1tcg 1 . 1 . 112 . 1 1 8 LYS HB3 H -2.447 -2.941 -9.181 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1tcg 1 . 1 . 113 . 1 1 8 LYS HD2 H -3.573 -5.209 -10.255 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1tcg 1 . 1 . 114 . 1 1 8 LYS HD3 H -1.931 -5.126 -9.627 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1tcg 1 . 1 . 115 . 1 1 8 LYS HE2 H -2.004 -7.243 -8.845 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1tcg 1 . 1 . 116 . 1 1 8 LYS HE3 H -3.602 -7.018 -8.146 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1tcg 1 . 1 . 117 . 1 1 8 LYS HG2 H -2.905 -4.853 -7.313 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1tcg 1 . 1 . 118 . 1 1 8 LYS HG3 H -4.501 -4.777 -8.042 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1tcg 1 . 1 . 119 . 1 1 8 LYS HZ1 H -3.669 -7.069 -10.999 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1tcg 1 . 1 . 120 . 1 1 8 LYS HZ2 H -3.004 -8.493 -10.355 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1tcg 1 . 1 . 121 . 1 1 8 LYS HZ3 H -4.554 -7.988 -9.878 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . rr_1tcg 1 . 1 . 122 . 1 1 8 LYS N N -4.044 -2.569 -6.207 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1tcg 1 . 1 . 123 . 1 1 8 LYS NZ N -3.603 -7.668 -10.151 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1tcg 1 . 1 . 124 . 1 1 8 LYS O O -3.623 -0.084 -7.201 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1tcg 1 . 1 . 125 . 1 1 9 LYS C C -0.419 1.120 -9.463 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_1tcg 1 . 1 . 126 . 1 1 9 LYS CA C -1.375 0.923 -8.291 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_1tcg 1 . 1 . 127 . 1 1 9 LYS CB C -0.784 1.598 -7.046 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_1tcg 1 . 1 . 128 . 1 1 9 LYS CD C -1.788 3.745 -6.277 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_1tcg 1 . 1 . 129 . 1 1 9 LYS CE C -1.804 5.261 -6.483 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_1tcg 1 . 1 . 130 . 1 1 9 LYS CG C -0.789 3.114 -7.248 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_1tcg 1 . 1 . 131 . 1 1 9 LYS H H -0.906 -1.182 -8.185 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_1tcg 1 . 1 . 132 . 1 1 9 LYS HA H -2.321 1.370 -8.548 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_1tcg 1 . 1 . 133 . 1 1 9 LYS HB2 H -1.377 1.345 -6.180 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_1tcg 1 . 1 . 134 . 1 1 9 LYS HB3 H 0.228 1.261 -6.892 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_1tcg 1 . 1 . 135 . 1 1 9 LYS HD2 H -2.774 3.343 -6.460 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_1tcg 1 . 1 . 136 . 1 1 9 LYS HD3 H -1.497 3.519 -5.261 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_1tcg 1 . 1 . 137 . 1 1 9 LYS HE2 H -0.791 5.623 -6.586 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_1tcg 1 . 1 . 138 . 1 1 9 LYS HE3 H -2.356 5.498 -7.381 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_1tcg 1 . 1 . 139 . 1 1 9 LYS HG2 H 0.200 3.507 -7.060 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_1tcg 1 . 1 . 140 . 1 1 9 LYS HG3 H -1.074 3.345 -8.264 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_1tcg 1 . 1 . 141 . 1 1 9 LYS HZ1 H -2.883 5.227 -4.703 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_1tcg 1 . 1 . 142 . 1 1 9 LYS HZ2 H -1.728 6.469 -4.789 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_1tcg 1 . 1 . 143 . 1 1 9 LYS HZ3 H -3.178 6.595 -5.665 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_1tcg 1 . 1 . 144 . 1 1 9 LYS N N -1.599 -0.517 -7.989 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_1tcg 1 . 1 . 145 . 1 1 9 LYS NZ N -2.447 5.939 -5.322 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_1tcg 1 . 1 . 146 . 1 1 9 LYS O O 0.515 1.892 -9.376 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_1tcg 1 . 1 . 147 . 1 1 10 CYS C C -0.163 1.801 -12.536 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_1tcg 1 . 1 . 148 . 1 1 10 CYS CA C 0.240 0.586 -11.710 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_1tcg 1 . 1 . 149 . 1 1 10 CYS CB C 0.147 -0.653 -12.600 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_1tcg 1 . 1 . 150 . 1 1 10 CYS H H -1.426 -0.186 -10.581 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_1tcg 1 . 1 . 151 . 1 1 10 CYS HA H 1.254 0.728 -11.352 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_1tcg 1 . 1 . 152 . 1 1 10 CYS HB2 H -0.887 -0.815 -12.862 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_1tcg 1 . 1 . 153 . 1 1 10 CYS HB3 H 0.682 -0.433 -13.509 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_1tcg 1 . 1 . 154 . 1 1 10 CYS N N -0.663 0.427 -10.542 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_1tcg 1 . 1 . 155 . 1 1 10 CYS O O 0.341 2.016 -13.620 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_1tcg 1 . 1 . 156 . 1 1 10 CYS SG S 0.787 -2.209 -11.936 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_1tcg 1 . 1 . 157 . 1 1 11 LYS C C -0.505 4.899 -12.591 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_1tcg 1 . 1 . 158 . 1 1 11 LYS CA C -1.522 3.777 -12.741 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_1tcg 1 . 1 . 159 . 1 1 11 LYS CB C -2.841 4.232 -12.121 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_1tcg 1 . 1 . 160 . 1 1 11 LYS CD C -5.123 5.125 -12.609 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_1tcg 1 . 1 . 161 . 1 1 11 LYS CE C -6.224 4.961 -13.660 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_1tcg 1 . 1 . 162 . 1 1 11 LYS CG C -3.783 4.716 -13.227 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_1tcg 1 . 1 . 163 . 1 1 11 LYS H H -1.446 2.356 -11.128 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_1tcg 1 . 1 . 164 . 1 1 11 LYS HA H -1.642 3.536 -13.791 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_1tcg 1 . 1 . 165 . 1 1 11 LYS HB2 H -3.289 3.406 -11.592 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_1tcg 1 . 1 . 166 . 1 1 11 LYS HB3 H -2.648 5.035 -11.427 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_1tcg 1 . 1 . 167 . 1 1 11 LYS HD2 H -5.338 4.499 -11.757 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_1tcg 1 . 1 . 168 . 1 1 11 LYS HD3 H -5.077 6.156 -12.289 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_1tcg 1 . 1 . 169 . 1 1 11 LYS HE2 H -7.021 5.630 -13.948 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_1tcg 1 . 1 . 170 . 1 1 11 LYS HE3 H -5.674 5.787 -14.087 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_1tcg 1 . 1 . 171 . 1 1 11 LYS HG2 H -3.343 5.564 -13.732 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_1tcg 1 . 1 . 172 . 1 1 11 LYS HG3 H -3.943 3.923 -13.941 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_1tcg 1 . 1 . 173 . 1 1 11 LYS HZ1 H -7.043 3.976 -12.017 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . rr_1tcg 1 . 1 . 174 . 1 1 11 LYS HZ2 H -6.736 5.626 -11.753 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_1tcg 1 . 1 . 175 . 1 1 11 LYS HZ3 H -8.062 5.150 -12.701 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_1tcg 1 . 1 . 176 . 1 1 11 LYS N N -1.068 2.570 -12.006 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_1tcg 1 . 1 . 177 . 1 1 11 LYS NZ N -7.081 4.925 -12.440 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_1tcg 1 . 1 . 178 . 1 1 11 LYS O O -0.850 6.064 -12.625 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_1tcg 1 . 1 . 179 . 1 1 12 ASP C C 3.039 5.187 -13.093 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . rr_1tcg 1 . 1 . 180 . 1 1 12 ASP CA C 1.804 5.540 -12.266 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . rr_1tcg 1 . 1 . 181 . 1 1 12 ASP CB C 2.202 5.586 -10.787 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . rr_1tcg 1 . 1 . 182 . 1 1 12 ASP CG C 1.717 6.901 -10.173 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . rr_1tcg 1 . 1 . 183 . 1 1 12 ASP H H 0.944 3.556 -12.403 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . rr_1tcg 1 . 1 . 184 . 1 1 12 ASP HA H 1.429 6.504 -12.593 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . rr_1tcg 1 . 1 . 185 . 1 1 12 ASP HB2 H 1.750 4.759 -10.260 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB2 . . . . . . . . . rr_1tcg 1 . 1 . 186 . 1 1 12 ASP HB3 H 3.276 5.524 -10.694 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . rr_1tcg 1 . 1 . 187 . 1 1 12 ASP N N 0.730 4.516 -12.425 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . rr_1tcg 1 . 1 . 188 . 1 1 12 ASP O O 3.316 4.030 -13.338 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . rr_1tcg 1 . 1 . 189 . 1 1 12 ASP OD1 O 0.556 6.928 -9.798 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . rr_1tcg 1 . 1 . 190 . 1 1 12 ASP OD2 O 2.534 7.805 -10.114 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . rr_1tcg 1 . 1 . 191 . 1 1 13 ARG C C 6.066 5.279 -13.472 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . rr_1tcg 1 . 1 . 192 . 1 1 13 ARG CA C 4.983 5.950 -14.314 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . rr_1tcg 1 . 1 . 193 . 1 1 13 ARG CB C 5.513 7.300 -14.814 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . rr_1tcg 1 . 1 . 194 . 1 1 13 ARG CD C 5.843 9.605 -13.916 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . rr_1tcg 1 . 1 . 195 . 1 1 13 ARG CG C 6.019 8.115 -13.620 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . rr_1tcg 1 . 1 . 196 . 1 1 13 ARG CZ C 7.220 10.906 -15.413 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . rr_1tcg 1 . 1 . 197 . 1 1 13 ARG H H 3.497 7.115 -13.277 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . rr_1tcg 1 . 1 . 198 . 1 1 13 ARG HA H 4.729 5.302 -15.146 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . rr_1tcg 1 . 1 . 199 . 1 1 13 ARG HB2 H 6.323 7.136 -15.510 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . rr_1tcg 1 . 1 . 200 . 1 1 13 ARG HB3 H 4.721 7.839 -15.312 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . rr_1tcg 1 . 1 . 201 . 1 1 13 ARG HD2 H 4.793 9.861 -13.897 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . rr_1tcg 1 . 1 . 202 . 1 1 13 ARG HD3 H 6.368 10.191 -13.176 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . rr_1tcg 1 . 1 . 203 . 1 1 13 ARG HE H 6.151 9.349 -16.036 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . rr_1tcg 1 . 1 . 204 . 1 1 13 ARG HG2 H 5.455 7.853 -12.738 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . rr_1tcg 1 . 1 . 205 . 1 1 13 ARG HG3 H 7.064 7.899 -13.450 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . rr_1tcg 1 . 1 . 206 . 1 1 13 ARG HH11 H 8.788 9.877 -14.714 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . rr_1tcg 1 . 1 . 207 . 1 1 13 ARG HH12 H 9.114 11.512 -15.182 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . rr_1tcg 1 . 1 . 208 . 1 1 13 ARG HH21 H 5.795 12.113 -16.135 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . rr_1tcg 1 . 1 . 209 . 1 1 13 ARG HH22 H 7.375 12.811 -16.008 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . rr_1tcg 1 . 1 . 210 . 1 1 13 ARG N N 3.760 6.199 -13.502 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . rr_1tcg 1 . 1 . 211 . 1 1 13 ARG NE N 6.399 9.902 -15.266 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . rr_1tcg 1 . 1 . 212 . 1 1 13 ARG NH1 N 8.472 10.753 -15.077 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . rr_1tcg 1 . 1 . 213 . 1 1 13 ARG NH2 N 6.761 12.031 -15.889 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . rr_1tcg 1 . 1 . 214 . 1 1 13 ARG O O 6.852 4.502 -13.972 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . rr_1tcg 1 . 1 . 215 . 1 1 14 GLN C C 6.586 3.686 -10.735 . . . 1.0 . . . . . . . . . . . . A . 14 GLN C . . . . . . . . . rr_1tcg 1 . 1 . 216 . 1 1 14 GLN CA C 7.112 4.993 -11.315 . . . 1.0 . . . . . . . . . . . . A . 14 GLN CA . . . . . . . . . rr_1tcg 1 . 1 . 217 . 1 1 14 GLN CB C 7.372 5.966 -10.165 . . . 1.0 . . . . . . . . . . . . A . 14 GLN CB . . . . . . . . . rr_1tcg 1 . 1 . 218 . 1 1 14 GLN CD C 9.135 7.205 -8.910 . . . 1.0 . . . . . . . . . . . . A . 14 GLN CD . . . . . . . . . rr_1tcg 1 . 1 . 219 . 1 1 14 GLN CG C 8.880 6.170 -10.006 . . . 1.0 . . . . . . . . . . . . A . 14 GLN CG . . . . . . . . . rr_1tcg 1 . 1 . 220 . 1 1 14 GLN H H 5.441 6.241 -11.850 . . . 1.0 . . . . . . . . . . . . A . 14 GLN H . . . . . . . . . rr_1tcg 1 . 1 . 221 . 1 1 14 GLN HA H 8.017 4.800 -11.881 . . . 1.0 . . . . . . . . . . . . A . 14 GLN HA . . . . . . . . . rr_1tcg 1 . 1 . 222 . 1 1 14 GLN HB2 H 6.897 6.911 -10.380 . . . 1.0 . . . . . . . . . . . . A . 14 GLN HB2 . . . . . . . . . rr_1tcg 1 . 1 . 223 . 1 1 14 GLN HB3 H 6.961 5.562 -9.254 . . . 1.0 . . . . . . . . . . . . A . 14 GLN HB3 . . . . . . . . . rr_1tcg 1 . 1 . 224 . 1 1 14 GLN HE21 H 11.045 7.439 -9.397 . . . 1.0 . . . . . . . . . . . . A . 14 GLN HE21 . . . . . . . . . rr_1tcg 1 . 1 . 225 . 1 1 14 GLN HE22 H 10.509 8.383 -8.092 . . . 1.0 . . . . . . . . . . . . A . 14 GLN HE22 . . . . . . . . . rr_1tcg 1 . 1 . 226 . 1 1 14 GLN HG2 H 9.348 5.236 -9.732 . . . 1.0 . . . . . . . . . . . . A . 14 GLN HG2 . . . . . . . . . rr_1tcg 1 . 1 . 227 . 1 1 14 GLN HG3 H 9.302 6.522 -10.936 . . . 1.0 . . . . . . . . . . . . A . 14 GLN HG3 . . . . . . . . . rr_1tcg 1 . 1 . 228 . 1 1 14 GLN N N 6.091 5.601 -12.209 . . . 1.0 . . . . . . . . . . . . A . 14 GLN N . . . . . . . . . rr_1tcg 1 . 1 . 229 . 1 1 14 GLN NE2 N 10.329 7.719 -8.790 . . . 1.0 . . . . . . . . . . . . A . 14 GLN NE2 . . . . . . . . . rr_1tcg 1 . 1 . 230 . 1 1 14 GLN O O 7.009 3.246 -9.684 . . . 1.0 . . . . . . . . . . . . A . 14 GLN O . . . . . . . . . rr_1tcg 1 . 1 . 231 . 1 1 14 GLN OE1 O 8.252 7.556 -8.153 . . . 1.0 . . . . . . . . . . . . A . 14 GLN OE1 . . . . . . . . . rr_1tcg 1 . 1 . 232 . 1 1 15 CYS C C 4.514 1.089 -12.192 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . rr_1tcg 1 . 1 . 233 . 1 1 15 CYS CA C 5.079 1.820 -10.987 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . rr_1tcg 1 . 1 . 234 . 1 1 15 CYS CB C 3.956 2.167 -10.002 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . rr_1tcg 1 . 1 . 235 . 1 1 15 CYS H H 5.371 3.490 -12.289 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . rr_1tcg 1 . 1 . 236 . 1 1 15 CYS HA H 5.839 1.199 -10.515 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . rr_1tcg 1 . 1 . 237 . 1 1 15 CYS HB2 H 3.715 3.212 -10.127 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . rr_1tcg 1 . 1 . 238 . 1 1 15 CYS HB3 H 3.080 1.599 -10.263 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . rr_1tcg 1 . 1 . 239 . 1 1 15 CYS N N 5.671 3.095 -11.444 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . rr_1tcg 1 . 1 . 240 . 1 1 15 CYS O O 3.645 0.256 -12.069 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . rr_1tcg 1 . 1 . 241 . 1 1 15 CYS SG S 4.294 1.892 -8.246 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . rr_1tcg 1 . 1 . 242 . 1 1 16 LYS C C 5.632 -0.095 -15.257 . . . 1.0 . . . . . . . . . . . . A . 16 LYS C . . . . . . . . . rr_1tcg 1 . 1 . 243 . 1 1 16 LYS CA C 4.567 0.805 -14.602 . . . 1.0 . . . . . . . . . . . . A . 16 LYS CA . . . . . . . . . rr_1tcg 1 . 1 . 244 . 1 1 16 LYS CB C 4.188 1.909 -15.596 . . . 1.0 . . . . . . . . . . . . A . 16 LYS CB . . . . . . . . . rr_1tcg 1 . 1 . 245 . 1 1 16 LYS CD C 2.352 2.800 -17.029 . . . 1.0 . . . . . . . . . . . . A . 16 LYS CD . . . . . . . . . rr_1tcg 1 . 1 . 246 . 1 1 16 LYS CE C 1.280 3.694 -16.404 . . . 1.0 . . . . . . . . . . . . A . 16 LYS CE . . . . . . . . . rr_1tcg 1 . 1 . 247 . 1 1 16 LYS CG C 2.735 1.708 -16.029 . . . 1.0 . . . . . . . . . . . . A . 16 LYS CG . . . . . . . . . rr_1tcg 1 . 1 . 248 . 1 1 16 LYS H H 5.714 2.141 -13.375 . . . 1.0 . . . . . . . . . . . . A . 16 LYS H . . . . . . . . . rr_1tcg 1 . 1 . 249 . 1 1 16 LYS HA H 3.708 0.200 -14.373 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HA . . . . . . . . . rr_1tcg 1 . 1 . 250 . 1 1 16 LYS HB2 H 4.298 2.875 -15.128 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HB2 . . . . . . . . . rr_1tcg 1 . 1 . 251 . 1 1 16 LYS HB3 H 4.835 1.858 -16.459 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HB3 . . . . . . . . . rr_1tcg 1 . 1 . 252 . 1 1 16 LYS HD2 H 3.222 3.390 -17.273 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HD2 . . . . . . . . . rr_1tcg 1 . 1 . 253 . 1 1 16 LYS HD3 H 1.966 2.347 -17.930 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HD3 . . . . . . . . . rr_1tcg 1 . 1 . 254 . 1 1 16 LYS HE2 H 0.398 3.108 -16.193 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HE2 . . . . . . . . . rr_1tcg 1 . 1 . 255 . 1 1 16 LYS HE3 H 1.653 4.116 -15.482 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HE3 . . . . . . . . . rr_1tcg 1 . 1 . 256 . 1 1 16 LYS HG2 H 2.625 0.738 -16.492 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HG2 . . . . . . . . . rr_1tcg 1 . 1 . 257 . 1 1 16 LYS HG3 H 2.089 1.763 -15.167 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HG3 . . . . . . . . . rr_1tcg 1 . 1 . 258 . 1 1 16 LYS HZ1 H -0.090 4.734 -17.575 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HZ1 . . . . . . . . . rr_1tcg 1 . 1 . 259 . 1 1 16 LYS HZ2 H 1.106 5.714 -16.873 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HZ2 . . . . . . . . . rr_1tcg 1 . 1 . 260 . 1 1 16 LYS HZ3 H 1.489 4.725 -18.200 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HZ3 . . . . . . . . . rr_1tcg 1 . 1 . 261 . 1 1 16 LYS N N 5.031 1.442 -13.344 . . . 1.0 . . . . . . . . . . . . A . 16 LYS N . . . . . . . . . rr_1tcg 1 . 1 . 262 . 1 1 16 LYS NZ N 0.919 4.801 -17.333 . . . 1.0 . . . . . . . . . . . . A . 16 LYS NZ . . . . . . . . . rr_1tcg 1 . 1 . 263 . 1 1 16 LYS O O 5.312 -1.151 -15.762 . . . 1.0 . . . . . . . . . . . . A . 16 LYS O . . . . . . . . . rr_1tcg 1 . 1 . 264 . 1 1 17 HYP C C 8.271 -1.702 -15.021 . . . 1.0 . . . . . . . . . . . . A . 17 HYP C . . . . . . . . . rr_1tcg 1 . 1 . 265 . 1 1 17 HYP CA C 7.966 -0.463 -15.860 . . . 1.0 . . . . . . . . . . . . A . 17 HYP CA . . . . . . . . . rr_1tcg 1 . 1 . 266 . 1 1 17 HYP CB C 9.184 0.483 -15.869 . . . 1.0 . . . . . . . . . . . . A . 17 HYP CB . . . . . . . . . rr_1tcg 1 . 1 . 267 . 1 1 17 HYP CD C 7.312 1.614 -14.670 . . . 1.0 . . . . . . . . . . . . A . 17 HYP CD . . . . . . . . . rr_1tcg 1 . 1 . 268 . 1 1 17 HYP CG C 8.738 1.800 -15.197 . . . 1.0 . . . . . . . . . . . . A . 17 HYP CG . . . . . . . . . rr_1tcg 1 . 1 . 269 . 1 1 17 HYP HA H 7.688 -0.756 -16.866 . . . 1.0 . . . . . . . . . . . . A . 17 HYP HA . . . . . . . . . rr_1tcg 1 . 1 . 270 . 1 1 17 HYP HB2 H 10.001 0.045 -15.315 . . . 1.0 . . . . . . . . . . . . A . 17 HYP HB2 . . . . . . . . . rr_1tcg 1 . 1 . 271 . 1 1 17 HYP HB3 H 9.497 0.674 -16.885 . . . 1.0 . . . . . . . . . . . . A . 17 HYP HB3 . . . . . . . . . rr_1tcg 1 . 1 . 272 . 1 1 17 HYP HD1 H 7.738 3.074 -16.273 . . . 1.0 . . . . . . . . . . . . A . 17 HYP HD1 . . . . . . . . . rr_1tcg 1 . 1 . 273 . 1 1 17 HYP HD22 H 6.666 2.413 -14.995 . . . 1.0 . . . . . . . . . . . . A . 17 HYP HD22 . . . . . . . . . rr_1tcg 1 . 1 . 274 . 1 1 17 HYP HD23 H 7.329 1.546 -13.593 . . . 1.0 . . . . . . . . . . . . A . 17 HYP HD23 . . . . . . . . . rr_1tcg 1 . 1 . 275 . 1 1 17 HYP HG H 9.424 2.124 -14.428 . . . 1.0 . . . . . . . . . . . . A . 17 HYP HG . . . . . . . . . rr_1tcg 1 . 1 . 276 . 1 1 17 HYP N N 6.880 0.332 -15.253 . . . 1.0 . . . . . . . . . . . . A . 17 HYP N . . . . . . . . . rr_1tcg 1 . 1 . 277 . 1 1 17 HYP O O 9.385 -2.188 -14.998 . . . 1.0 . . . . . . . . . . . . A . 17 HYP O . . . . . . . . . rr_1tcg 1 . 1 . 278 . 1 1 17 HYP OD1 O 8.639 2.747 -16.250 . . . 1.0 . . . . . . . . . . . . A . 17 HYP OD1 . . . . . . . . . rr_1tcg 1 . 1 . 279 . 1 1 18 GLN C C 7.060 -4.628 -14.287 . . . 1.0 . . . . . . . . . . . . A . 18 GLN C . . . . . . . . . rr_1tcg 1 . 1 . 280 . 1 1 18 GLN CA C 7.443 -3.380 -13.516 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CA . . . . . . . . . rr_1tcg 1 . 1 . 281 . 1 1 18 GLN CB C 6.486 -3.251 -12.322 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CB . . . . . . . . . rr_1tcg 1 . 1 . 282 . 1 1 18 GLN CD C 8.078 -1.495 -11.532 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CD . . . . . . . . . rr_1tcg 1 . 1 . 283 . 1 1 18 GLN CG C 7.234 -2.702 -11.110 . . . 1.0 . . . . . . . . . . . . A . 18 GLN CG . . . . . . . . . rr_1tcg 1 . 1 . 284 . 1 1 18 GLN H H 6.389 -1.788 -14.414 . . . 1.0 . . . . . . . . . . . . A . 18 GLN H . . . . . . . . . rr_1tcg 1 . 1 . 285 . 1 1 18 GLN HA H 8.475 -3.452 -13.192 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HA . . . . . . . . . rr_1tcg 1 . 1 . 286 . 1 1 18 GLN HB2 H 5.679 -2.582 -12.579 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HB2 . . . . . . . . . rr_1tcg 1 . 1 . 287 . 1 1 18 GLN HB3 H 6.075 -4.220 -12.081 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HB3 . . . . . . . . . rr_1tcg 1 . 1 . 288 . 1 1 18 GLN HE21 H 9.698 -2.125 -10.571 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HE21 . . . . . . . . . rr_1tcg 1 . 1 . 289 . 1 1 18 GLN HE22 H 9.870 -0.651 -11.395 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HE22 . . . . . . . . . rr_1tcg 1 . 1 . 290 . 1 1 18 GLN HG2 H 6.522 -2.392 -10.356 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HG2 . . . . . . . . . rr_1tcg 1 . 1 . 291 . 1 1 18 GLN HG3 H 7.876 -3.468 -10.703 . . . 1.0 . . . . . . . . . . . . A . 18 GLN HG3 . . . . . . . . . rr_1tcg 1 . 1 . 292 . 1 1 18 GLN N N 7.264 -2.193 -14.355 . . . 1.0 . . . . . . . . . . . . A . 18 GLN N . . . . . . . . . rr_1tcg 1 . 1 . 293 . 1 1 18 GLN NE2 N 9.318 -1.417 -11.133 . . . 1.0 . . . . . . . . . . . . A . 18 GLN NE2 . . . . . . . . . rr_1tcg 1 . 1 . 294 . 1 1 18 GLN O O 6.688 -4.577 -15.442 . . . 1.0 . . . . . . . . . . . . A . 18 GLN O . . . . . . . . . rr_1tcg 1 . 1 . 295 . 1 1 18 GLN OE1 O 7.615 -0.614 -12.229 . . . 1.0 . . . . . . . . . . . . A . 18 GLN OE1 . . . . . . . . . rr_1tcg 1 . 1 . 296 . 1 1 19 ARG C C 5.364 -7.343 -13.930 . . . 1.0 . . . . . . . . . . . . A . 19 ARG C . . . . . . . . . rr_1tcg 1 . 1 . 297 . 1 1 19 ARG CA C 6.817 -7.014 -14.239 . . . 1.0 . . . . . . . . . . . . A . 19 ARG CA . . . . . . . . . rr_1tcg 1 . 1 . 298 . 1 1 19 ARG CB C 7.712 -8.104 -13.636 . . . 1.0 . . . . . . . . . . . . A . 19 ARG CB . . . . . . . . . rr_1tcg 1 . 1 . 299 . 1 1 19 ARG CD C 9.339 -9.921 -14.153 . . . 1.0 . . . . . . . . . . . . A . 19 ARG CD . . . . . . . . . rr_1tcg 1 . 1 . 300 . 1 1 19 ARG CG C 8.484 -8.804 -14.757 . . . 1.0 . . . . . . . . . . . . A . 19 ARG CG . . . . . . . . . rr_1tcg 1 . 1 . 301 . 1 1 19 ARG CZ C 11.190 -10.653 -15.523 . . . 1.0 . . . . . . . . . . . . A . 19 ARG CZ . . . . . . . . . rr_1tcg 1 . 1 . 302 . 1 1 19 ARG H H 7.448 -5.671 -12.685 . . . 1.0 . . . . . . . . . . . . A . 19 ARG H . . . . . . . . . rr_1tcg 1 . 1 . 303 . 1 1 19 ARG HA H 6.949 -6.943 -15.314 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HA . . . . . . . . . rr_1tcg 1 . 1 . 304 . 1 1 19 ARG HB2 H 8.407 -7.658 -12.940 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HB2 . . . . . . . . . rr_1tcg 1 . 1 . 305 . 1 1 19 ARG HB3 H 7.102 -8.825 -13.112 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HB3 . . . . . . . . . rr_1tcg 1 . 1 . 306 . 1 1 19 ARG HD2 H 10.140 -9.495 -13.567 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HD2 . . . . . . . . . rr_1tcg 1 . 1 . 307 . 1 1 19 ARG HD3 H 8.728 -10.549 -13.520 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HD3 . . . . . . . . . rr_1tcg 1 . 1 . 308 . 1 1 19 ARG HE H 9.342 -11.346 -15.772 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HE . . . . . . . . . rr_1tcg 1 . 1 . 309 . 1 1 19 ARG HG2 H 7.789 -9.224 -15.469 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HG2 . . . . . . . . . rr_1tcg 1 . 1 . 310 . 1 1 19 ARG HG3 H 9.120 -8.091 -15.260 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HG3 . . . . . . . . . rr_1tcg 1 . 1 . 311 . 1 1 19 ARG HH11 H 11.293 -8.735 -14.960 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HH11 . . . . . . . . . rr_1tcg 1 . 1 . 312 . 1 1 19 ARG HH12 H 12.776 -9.432 -15.520 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HH12 . . . . . . . . . rr_1tcg 1 . 1 . 313 . 1 1 19 ARG HH21 H 11.311 -12.556 -16.134 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HH21 . . . . . . . . . rr_1tcg 1 . 1 . 314 . 1 1 19 ARG HH22 H 12.787 -11.652 -16.201 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HH22 . . . . . . . . . rr_1tcg 1 . 1 . 315 . 1 1 19 ARG N N 7.162 -5.716 -13.613 . . . 1.0 . . . . . . . . . . . . A . 19 ARG N . . . . . . . . . rr_1tcg 1 . 1 . 316 . 1 1 19 ARG NE N 9.915 -10.743 -15.254 . . . 1.0 . . . . . . . . . . . . A . 19 ARG NE . . . . . . . . . rr_1tcg 1 . 1 . 317 . 1 1 19 ARG NH1 N 11.801 -9.518 -15.318 . . . 1.0 . . . . . . . . . . . . A . 19 ARG NH1 . . . . . . . . . rr_1tcg 1 . 1 . 318 . 1 1 19 ARG NH2 N 11.811 -11.702 -15.989 . . . 1.0 . . . . . . . . . . . . A . 19 ARG NH2 . . . . . . . . . rr_1tcg 1 . 1 . 319 . 1 1 19 ARG O O 4.755 -8.181 -14.564 . . . 1.0 . . . . . . . . . . . . A . 19 ARG O . . . . . . . . . rr_1tcg 1 . 1 . 320 . 1 1 20 CYS C C 2.492 -5.944 -13.294 . . . 1.0 . . . . . . . . . . . . A . 20 CYS C . . . . . . . . . rr_1tcg 1 . 1 . 321 . 1 1 20 CYS CA C 3.429 -6.895 -12.552 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CA . . . . . . . . . rr_1tcg 1 . 1 . 322 . 1 1 20 CYS CB C 3.314 -6.622 -11.048 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CB . . . . . . . . . rr_1tcg 1 . 1 . 323 . 1 1 20 CYS H H 5.383 -5.991 -12.467 . . . 1.0 . . . . . . . . . . . . A . 20 CYS H . . . . . . . . . rr_1tcg 1 . 1 . 324 . 1 1 20 CYS HA H 3.158 -7.920 -12.784 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HA . . . . . . . . . rr_1tcg 1 . 1 . 325 . 1 1 20 CYS HB2 H 2.305 -6.851 -10.742 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB2 . . . . . . . . . rr_1tcg 1 . 1 . 326 . 1 1 20 CYS HB3 H 3.976 -7.301 -10.531 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB3 . . . . . . . . . rr_1tcg 1 . 1 . 327 . 1 1 20 CYS N N 4.842 -6.661 -12.946 . . . 1.0 . . . . . . . . . . . . A . 20 CYS N . . . . . . . . . rr_1tcg 1 . 1 . 328 . 1 1 20 CYS O O 1.295 -6.149 -13.329 . . . 1.0 . . . . . . . . . . . . A . 20 CYS O . . . . . . . . . rr_1tcg 1 . 1 . 329 . 1 1 20 CYS SG S 3.701 -4.943 -10.486 . . . 1.0 . . . . . . . . . . . . A . 20 CYS SG . . . . . . . . . rr_1tcg 1 . 1 . 330 . 1 1 21 CYS C C 2.407 -4.091 -16.132 . . . 1.0 . . . . . . . . . . . . A . 21 CYS C . . . . . . . . . rr_1tcg 1 . 1 . 331 . 1 1 21 CYS CA C 2.241 -3.932 -14.623 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CA . . . . . . . . . rr_1tcg 1 . 1 . 332 . 1 1 21 CYS CB C 2.723 -2.541 -14.215 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CB . . . . . . . . . rr_1tcg 1 . 1 . 333 . 1 1 21 CYS H H 4.036 -4.808 -13.817 . . . 1.0 . . . . . . . . . . . . A . 21 CYS H . . . . . . . . . rr_1tcg 1 . 1 . 334 . 1 1 21 CYS HA H 1.193 -4.060 -14.362 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HA . . . . . . . . . rr_1tcg 1 . 1 . 335 . 1 1 21 CYS HB2 H 3.725 -2.399 -14.587 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB2 . . . . . . . . . rr_1tcg 1 . 1 . 336 . 1 1 21 CYS HB3 H 2.091 -1.812 -14.695 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB3 . . . . . . . . . rr_1tcg 1 . 1 . 337 . 1 1 21 CYS N N 3.064 -4.923 -13.875 . . . 1.0 . . . . . . . . . . . . A . 21 CYS N . . . . . . . . . rr_1tcg 1 . 1 . 338 . 1 1 21 CYS O O 1.512 -4.555 -16.811 . . . 1.0 . . . . . . . . . . . . A . 21 CYS O . . . . . . . . . rr_1tcg 1 . 1 . 339 . 1 1 21 CYS SG S 2.738 -2.192 -12.444 . . . 1.0 . . . . . . . . . . . . A . 21 CYS SG . . . . . . . . . rr_1tcg 1 . 1 . 340 . 1 1 22 ALA C C 3.589 -5.268 -18.558 . . . 1.0 . . . . . . . . . . . . A . 22 ALA C . . . . . . . . . rr_1tcg 1 . 1 . 341 . 1 1 22 ALA CA C 3.785 -3.827 -18.093 . . . 1.0 . . . . . . . . . . . . A . 22 ALA CA . . . . . . . . . rr_1tcg 1 . 1 . 342 . 1 1 22 ALA CB C 5.230 -3.406 -18.389 . . . 1.0 . . . . . . . . . . . . A . 22 ALA CB . . . . . . . . . rr_1tcg 1 . 1 . 343 . 1 1 22 ALA H H 4.245 -3.337 -16.046 . . . 1.0 . . . . . . . . . . . . A . 22 ALA H . . . . . . . . . rr_1tcg 1 . 1 . 344 . 1 1 22 ALA HA H 3.082 -3.188 -18.618 . . . 1.0 . . . . . . . . . . . . A . 22 ALA HA . . . . . . . . . rr_1tcg 1 . 1 . 345 . 1 1 22 ALA HB1 H 5.295 -2.329 -18.428 . . . 1.0 . . . . . . . . . . . . A . 22 ALA HB1 . . . . . . . . . rr_1tcg 1 . 1 . 346 . 1 1 22 ALA HB2 H 5.883 -3.774 -17.611 . . . 1.0 . . . . . . . . . . . . A . 22 ALA HB2 . . . . . . . . . rr_1tcg 1 . 1 . 347 . 1 1 22 ALA HB3 H 5.542 -3.816 -19.338 . . . 1.0 . . . . . . . . . . . . A . 22 ALA HB3 . . . . . . . . . rr_1tcg 1 . 1 . 348 . 1 1 22 ALA N N 3.549 -3.703 -16.631 . . . 1.0 . . . . . . . . . . . . A . 22 ALA N . . . . . . . . . rr_1tcg 1 . 1 . 349 . 1 1 22 ALA O O 3.429 -5.544 -19.730 . . . 1.0 . . . . . . . . . . . . A . 22 ALA O . . . . . . . . . rr_1tcg 1 . 1 . 350 . 1 1 23 NH2 HN1 H 3.724 -6.009 -16.721 . . . 1.0 . . . . . . . . . . . . A . 23 NH2 HN1 . . . . . . . . . rr_1tcg 1 . 1 . 351 . 1 1 23 NH2 HN2 H 3.472 -7.154 -17.949 . . . 1.0 . . . . . . . . . . . . A . 23 NH2 HN2 . . . . . . . . . rr_1tcg 1 . 1 . 352 . 1 1 23 NH2 N N 3.595 -6.223 -17.669 . . . 1.0 . . . . . . . . . . . . A . 23 NH2 N . . . . . . . . . rr_1tcg 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID rr_1tcg _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 1tcg.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1tcg 1 1 1tcg.mr . . XPLOR/CNS 2 distance NOE simple 88 rr_1tcg 1 1 1tcg.mr . . XPLOR/CNS 3 distance 'disulfide bond' simple 3 rr_1tcg 1 1 1tcg.mr . . XPLOR/CNS 4 'dihedral angle' 'Not applicable' 'Not applicable' 20 rr_1tcg 1 1 1tcg.mr . . 'MR format' 5 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1tcg 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID rr_1tcg _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1tcg 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 1 1 ARG HA H . . . 1 1 2 2 ASP H H . . . . . 2.1 1.8 2.5 . . . . . A . 1 ARG HA . . A . 2 ASP H . . . 1 . HA . . . . . 2 . HN . . rr_1tcg 1 2 1 OR . 1 1 2 2 ASP H H . . . 1 1 1 1 ARG HB2 H . . . . . 2.9 1.8 4.0 . . . . . A . 2 ASP H . . A . 1 ARG HB2 . . . 2 . HN . . . . . 1 . HB# . . rr_1tcg 1 2 2 OR . 1 1 2 2 ASP H H . . . 1 1 1 1 ARG HB3 H . . . . . 2.9 1.8 4.0 . . . . . A . 2 ASP H . . A . 1 ARG HB3 . . . 2 . HN . . . . . 1 . HB# . . rr_1tcg 1 3 1 . . 1 1 2 2 ASP HA H . . . 1 1 3 3 CYS H H . . . . . 2.4 1.8 3.0 . . . . . A . 2 ASP HA . . A . 3 CYS H . . . 2 . HA . . . . . 3 . HN . . rr_1tcg 1 4 1 . . 1 1 2 2 ASP HA H . . . 1 1 3 3 CYS HA H . . . . . 2.9 1.8 4.0 . . . . . A . 2 ASP HA . . A . 3 CYS HA . . . 2 . HA . . . . . 3 . HA . . rr_1tcg 1 5 1 OR . 1 1 3 3 CYS H H . . . 1 1 2 2 ASP HB2 H . . . . . 2.9 1.8 4.0 . . . . . A . 3 CYS H . . A . 2 ASP HB2 . . . 3 . HN . . . . . 2 . HB# . . rr_1tcg 1 5 2 OR . 1 1 3 3 CYS H H . . . 1 1 2 2 ASP HB3 H . . . . . 2.9 1.8 4.0 . . . . . A . 3 CYS H . . A . 2 ASP HB3 . . . 3 . HN . . . . . 2 . HB# . . rr_1tcg 1 6 1 . . 1 1 3 3 CYS H H . . . 1 1 4 4 CYS H H . . . . . 2.4 1.8 3.0 . . . . . A . 3 CYS H . . A . 4 CYS H . . . 3 . HN . . . . . 4 . HN . . rr_1tcg 1 7 1 . . 1 1 3 3 CYS HA H . . . 1 1 4 4 CYS H H . . . . . 2.9 1.8 4.0 . . . . . A . 3 CYS HA . . A . 4 CYS H . . . 3 . HA . . . . . 4 . HN . . rr_1tcg 1 8 1 . . 1 1 4 4 CYS H H . . . 1 1 3 3 CYS HB2 H . . . . . 2.9 1.8 4.0 . . . . . A . 4 CYS H . . A . 3 CYS HB2 . . . 4 . HN . . . . . 3 . HB2 . . rr_1tcg 1 9 1 . . 1 1 3 3 CYS HB2 H . . . 1 1 4 4 CYS HB3 H . . . . . 2.9 1.8 4.0 . . . . . A . 3 CYS HB2 . . A . 4 CYS HB3 . . . 3 . HB2 . . . . . 4 . HB1 . . rr_1tcg 1 10 1 . . 1 1 4 4 CYS H H . . . 1 1 3 3 CYS HB3 H . . . . . 2.9 1.8 4.0 . . . . . A . 4 CYS H . . A . 3 CYS HB3 . . . 4 . HN . . . . . 3 . HB1 . . rr_1tcg 1 11 1 . . 1 1 3 3 CYS HA H . . . 1 1 9 9 LYS H H . . . . . 2.9 1.8 4.0 . . . . . A . 3 CYS HA . . A . 9 LYS H . . . 3 . HA . . . . . 9 . HN . . rr_1tcg 1 12 1 . . 1 1 3 3 CYS HA H . . . 1 1 9 9 LYS HA H . . . . . 2.9 1.8 4.0 . . . . . A . 3 CYS HA . . A . 9 LYS HA . . . 3 . HA . . . . . 9 . HA . . rr_1tcg 1 13 1 . . 1 1 3 3 CYS HA H . . . 1 1 9 9 LYS HB2 H . . . . . 2.9 1.8 4.0 . . . . . A . 3 CYS HA . . A . 9 LYS HB2 . . . 3 . HA . . . . . 9 . HB2 . . rr_1tcg 1 14 1 . . 1 1 3 3 CYS HA H . . . 1 1 9 9 LYS HB3 H . . . . . 2.9 1.8 4.0 . . . . . A . 3 CYS HA . . A . 9 LYS HB3 . . . 3 . HA . . . . . 9 . HB1 . . rr_1tcg 1 15 1 OR . 1 1 3 3 CYS HA H . . . 1 1 9 9 LYS HG2 H . . . . . 2.9 1.8 4.0 . . . . . A . 3 CYS HA . . A . 9 LYS HG2 . . . 3 . HA . . . . . 9 . HG# . . rr_1tcg 1 15 2 OR . 1 1 3 3 CYS HA H . . . 1 1 9 9 LYS HG3 H . . . . . 2.9 1.8 4.0 . . . . . A . 3 CYS HA . . A . 9 LYS HG3 . . . 3 . HA . . . . . 9 . HG# . . rr_1tcg 1 16 1 . . 1 1 3 3 CYS HB2 H . . . 1 1 15 15 CYS HA H . . . . . 2.9 1.8 4.0 . . . . . A . 3 CYS HB2 . . A . 15 CYS HA . . . 3 . HB2 . . . . . 15 . HA . . rr_1tcg 1 17 1 . . 1 1 3 3 CYS HB3 H . . . 1 1 15 15 CYS HA H . . . . . 2.9 1.8 4.0 . . . . . A . 3 CYS HB3 . . A . 15 CYS HA . . . 3 . HB1 . . . . . 15 . HA . . rr_1tcg 1 18 1 OR . 1 1 3 3 CYS HB3 H . . . 1 1 15 15 CYS HB2 H . . . . . 2.4 1.8 3.0 . . . . . A . 3 CYS HB3 . . A . 15 CYS HB2 . . . 3 . HB1 . . . . . 15 . HB# . . rr_1tcg 1 18 2 OR . 1 1 3 3 CYS HB3 H . . . 1 1 15 15 CYS HB3 H . . . . . 2.4 1.8 3.0 . . . . . A . 3 CYS HB3 . . A . 15 CYS HB3 . . . 3 . HB1 . . . . . 15 . HB# . . rr_1tcg 1 19 1 OR . 1 1 3 3 CYS HB2 H . . . 1 1 18 18 GLN HG2 H . . . . . 2.9 1.8 4.0 . . . . . A . 3 CYS HB2 . . A . 18 GLN HG2 . . . 3 . HB2 . . . . . 18 . HG# . . rr_1tcg 1 19 2 OR . 1 1 3 3 CYS HB2 H . . . 1 1 18 18 GLN HG3 H . . . . . 2.9 1.8 4.0 . . . . . A . 3 CYS HB2 . . A . 18 GLN HG3 . . . 3 . HB2 . . . . . 18 . HG# . . rr_1tcg 1 20 1 OR . 1 1 3 3 CYS HB3 H . . . 1 1 18 18 GLN HG2 H . . . . . 2.9 1.8 4.0 . . . . . A . 3 CYS HB3 . . A . 18 GLN HG2 . . . 3 . HB1 . . . . . 18 . HG# . . rr_1tcg 1 20 2 OR . 1 1 3 3 CYS HB3 H . . . 1 1 18 18 GLN HG3 H . . . . . 2.9 1.8 4.0 . . . . . A . 3 CYS HB3 . . A . 18 GLN HG3 . . . 3 . HB1 . . . . . 18 . HG# . . rr_1tcg 1 21 1 . . 1 1 4 4 CYS H H . . . 1 1 5 5 THR H H . . . . . 2.4 1.8 3.0 . . . . . A . 4 CYS H . . A . 5 THR H . . . 4 . HN . . . . . 5 . HN . . rr_1tcg 1 22 1 . . 1 1 5 5 THR H H . . . 1 1 4 4 CYS HA H . . . . . 2.9 1.8 4.0 . . . . . A . 5 THR H . . A . 4 CYS HA . . . 5 . HN . . . . . 4 . HA . . rr_1tcg 1 23 1 . . 1 1 5 5 THR H H . . . 1 1 4 4 CYS HB2 H . . . . . 2.9 1.8 4.0 . . . . . A . 5 THR H . . A . 4 CYS HB2 . . . 5 . HN . . . . . 4 . HB2 . . rr_1tcg 1 24 1 . . 1 1 4 4 CYS HA H . . . 1 1 8 8 LYS HA H . . . . . 2.4 1.8 3.0 . . . . . A . 4 CYS HA . . A . 8 LYS HA . . . 4 . HA . . . . . 8 . HA . . rr_1tcg 1 25 1 . . 1 1 4 4 CYS HA H . . . 1 1 8 8 LYS HB2 H . . . . . 2.9 1.8 4.0 . . . . . A . 4 CYS HA . . A . 8 LYS HB2 . . . 4 . HA . . . . . 8 . HB2 . . rr_1tcg 1 26 1 . . 1 1 4 4 CYS HA H . . . 1 1 8 8 LYS HB3 H . . . . . 2.4 1.8 3.0 . . . . . A . 4 CYS HA . . A . 8 LYS HB3 . . . 4 . HA . . . . . 8 . HB1 . . rr_1tcg 1 27 1 OR . 1 1 4 4 CYS HA H . . . 1 1 8 8 LYS HG2 H . . . . . 2.9 1.8 4.0 . . . . . A . 4 CYS HA . . A . 8 LYS HG2 . . . 4 . HA . . . . . 8 . HG# . . rr_1tcg 1 27 2 OR . 1 1 4 4 CYS HA H . . . 1 1 8 8 LYS HG3 H . . . . . 2.9 1.8 4.0 . . . . . A . 4 CYS HA . . A . 8 LYS HG3 . . . 4 . HA . . . . . 8 . HG# . . rr_1tcg 1 28 1 OR . 1 1 4 4 CYS HA H . . . 1 1 8 8 LYS HD2 H . . . . . 2.9 1.8 4.0 . . . . . A . 4 CYS HA . . A . 8 LYS HD2 . . . 4 . HA . . . . . 8 . HD# . . rr_1tcg 1 28 2 OR . 1 1 4 4 CYS HA H . . . 1 1 8 8 LYS HD3 H . . . . . 2.9 1.8 4.0 . . . . . A . 4 CYS HA . . A . 8 LYS HD3 . . . 4 . HA . . . . . 8 . HD# . . rr_1tcg 1 29 1 OR . 1 1 4 4 CYS HA H . . . 1 1 8 8 LYS HE2 H . . . . . 2.9 1.8 4.0 . . . . . A . 4 CYS HA . . A . 8 LYS HE2 . . . 4 . HA . . . . . 8 . HE# . . rr_1tcg 1 29 2 OR . 1 1 4 4 CYS HA H . . . 1 1 8 8 LYS HE3 H . . . . . 2.9 1.8 4.0 . . . . . A . 4 CYS HA . . A . 8 LYS HE3 . . . 4 . HA . . . . . 8 . HE# . . rr_1tcg 1 30 1 . . 1 1 4 4 CYS HB3 H . . . 1 1 20 20 CYS HB2 H . . . . . 2.9 1.8 4.0 . . . . . A . 4 CYS HB3 . . A . 20 CYS HB2 . . . 4 . HB1 . . . . . 20 . HB2 . . rr_1tcg 1 31 1 . . 1 1 4 4 CYS HB3 H . . . 1 1 20 20 CYS HB3 H . . . . . 2.9 1.8 4.0 . . . . . A . 4 CYS HB3 . . A . 20 CYS HB3 . . . 4 . HB1 . . . . . 20 . HB1 . . rr_1tcg 1 32 1 . . 1 1 5 5 THR MG H . . . 1 1 6 6 HYP HG H . . . . . 2.9 1.8 4.0 . . . . . A . 5 THR MG . . A . 6 HYP HG . . . 5 . HG2# . . . . . 6 . HG . . rr_1tcg 1 33 1 . . 1 1 8 8 LYS HA H . . . 1 1 6 6 HYP HA H . . . . . 2.9 1.8 4.0 . . . . . A . 8 LYS HA . . A . 6 HYP HA . . . 8 . HA . . . . . 6 . HA . . rr_1tcg 1 34 1 OR . 1 1 6 6 HYP HA H . . . 1 1 8 8 LYS HG2 H . . . . . 2.9 1.8 4.0 . . . . . A . 6 HYP HA . . A . 8 LYS HG2 . . . 6 . HA . . . . . 8 . HG# . . rr_1tcg 1 34 2 OR . 1 1 8 8 LYS HG3 H . . . 1 1 6 6 HYP HA H . . . . . 2.9 1.8 4.0 . . . . . A . 8 LYS HG3 . . A . 6 HYP HA . . . 8 . HG# . . . . . 6 . HA . . rr_1tcg 1 35 1 . . 1 1 7 7 HYP HA H . . . 1 1 8 8 LYS H H . . . . . 2.4 1.8 3.0 . . . . . A . 7 HYP HA . . A . 8 LYS H . . . 7 . HA . . . . . 8 . HN . . rr_1tcg 1 36 1 . . 1 1 9 9 LYS H H . . . 1 1 8 8 LYS HA H . . . . . 2.1 1.8 2.5 . . . . . A . 9 LYS H . . A . 8 LYS HA . . . 9 . HN . . . . . 8 . HA . . rr_1tcg 1 37 1 . . 1 1 9 9 LYS H H . . . 1 1 10 10 CYS H H . . . . . 2.9 1.8 4.0 . . . . . A . 9 LYS H . . A . 10 CYS H . . . 9 . HN . . . . . 10 . HN . . rr_1tcg 1 38 1 . . 1 1 10 10 CYS H H . . . 1 1 11 11 LYS H H . . . . . 2.9 1.8 4.0 . . . . . A . 10 CYS H . . A . 11 LYS H . . . 10 . HN . . . . . 11 . HN . . rr_1tcg 1 39 1 . . 1 1 11 11 LYS H H . . . 1 1 10 10 CYS HA H . . . . . 2.9 1.8 4.0 . . . . . A . 11 LYS H . . A . 10 CYS HA . . . 11 . HN . . . . . 10 . HA . . rr_1tcg 1 40 1 . . 1 1 10 10 CYS HB3 H . . . 1 1 12 12 ASP H H . . . . . 2.9 1.8 4.0 . . . . . A . 10 CYS HB3 . . A . 12 ASP H . . . 10 . HB1 . . . . . 12 . HN . . rr_1tcg 1 41 1 OR . 1 1 10 10 CYS HA H . . . 1 1 15 15 CYS HB2 H . . . . . 2.1 1.8 2.5 . . . . . A . 10 CYS HA . . A . 15 CYS HB2 . . . 10 . HA . . . . . 15 . HB# . . rr_1tcg 1 41 2 OR . 1 1 15 15 CYS HB3 H . . . 1 1 10 10 CYS HA H . . . . . 2.1 1.8 2.5 . . . . . A . 15 CYS HB3 . . A . 10 CYS HA . . . 15 . HB# . . . . . 10 . HA . . rr_1tcg 1 42 1 . . 1 1 10 10 CYS HA H . . . 1 1 16 16 LYS HA H . . . . . 2.9 1.8 4.0 . . . . . A . 10 CYS HA . . A . 16 LYS HA . . . 10 . HA . . . . . 16 . HA . . rr_1tcg 1 43 1 . . 1 1 10 10 CYS HB2 H . . . 1 1 21 21 CYS HA H . . . . . 2.9 1.8 4.0 . . . . . A . 10 CYS HB2 . . A . 21 CYS HA . . . 10 . HB2 . . . . . 21 . HA . . rr_1tcg 1 44 1 . . 1 1 11 11 LYS H H . . . 1 1 12 12 ASP H H . . . . . 2.4 1.8 3.0 . . . . . A . 11 LYS H . . A . 12 ASP H . . . 11 . HN . . . . . 12 . HN . . rr_1tcg 1 45 1 . . 1 1 12 12 ASP H H . . . 1 1 11 11 LYS HA H . . . . . 2.9 1.8 4.0 . . . . . A . 12 ASP H . . A . 11 LYS HA . . . 12 . HN . . . . . 11 . HA . . rr_1tcg 1 46 1 OR . 1 1 12 12 ASP H H . . . 1 1 11 11 LYS HB2 H . . . . . 2.9 1.8 4.0 . . . . . A . 12 ASP H . . A . 11 LYS HB2 . . . 12 . HN . . . . . 11 . HB# . . rr_1tcg 1 46 2 OR . 1 1 12 12 ASP H H . . . 1 1 11 11 LYS HB3 H . . . . . 2.9 1.8 4.0 . . . . . A . 12 ASP H . . A . 11 LYS HB3 . . . 12 . HN . . . . . 11 . HB# . . rr_1tcg 1 47 1 OR . 1 1 11 11 LYS HA H . . . 1 1 16 16 LYS HE2 H . . . . . 2.9 1.8 4.0 . . . . . A . 11 LYS HA . . A . 16 LYS HE2 . . . 11 . HA . . . . . 16 . HE# . . rr_1tcg 1 47 2 OR . 1 1 11 11 LYS HA H . . . 1 1 16 16 LYS HE3 H . . . . . 2.9 1.8 4.0 . . . . . A . 11 LYS HA . . A . 16 LYS HE3 . . . 11 . HA . . . . . 16 . HE# . . rr_1tcg 1 48 1 . . 1 1 12 12 ASP HA H . . . 1 1 13 13 ARG H H . . . . . 2.1 1.8 2.5 . . . . . A . 12 ASP HA . . A . 13 ARG H . . . 12 . HA . . . . . 13 . HN . . rr_1tcg 1 49 1 OR . 1 1 13 13 ARG H H . . . 1 1 12 12 ASP HB2 H . . . . . 2.9 1.8 4.0 . . . . . A . 13 ARG H . . A . 12 ASP HB2 . . . 13 . HN . . . . . 12 . HB# . . rr_1tcg 1 49 2 OR . 1 1 13 13 ARG H H . . . 1 1 12 12 ASP HB3 H . . . . . 2.9 1.8 4.0 . . . . . A . 13 ARG H . . A . 12 ASP HB3 . . . 13 . HN . . . . . 12 . HB# . . rr_1tcg 1 50 1 OR . 1 1 12 12 ASP HB2 H . . . 1 1 15 15 CYS HB2 H . . . . . 2.9 1.8 4.0 . . . . . A . 12 ASP HB2 . . A . 15 CYS HB2 . . . 12 . HB# . . . . . 15 . HB# . . rr_1tcg 1 50 2 OR . 1 1 12 12 ASP HB3 H . . . 1 1 15 15 CYS HB2 H . . . . . 2.9 1.8 4.0 . . . . . A . 12 ASP HB3 . . A . 15 CYS HB2 . . . 12 . HB# . . . . . 15 . HB# . . rr_1tcg 1 50 3 OR . 1 1 15 15 CYS HB3 H . . . 1 1 12 12 ASP HB2 H . . . . . 2.9 1.8 4.0 . . . . . A . 15 CYS HB3 . . A . 12 ASP HB2 . . . 15 . HB# . . . . . 12 . HB# . . rr_1tcg 1 50 4 OR . 1 1 15 15 CYS HB3 H . . . 1 1 12 12 ASP HB3 H . . . . . 2.9 1.8 4.0 . . . . . A . 15 CYS HB3 . . A . 12 ASP HB3 . . . 15 . HB# . . . . . 12 . HB# . . rr_1tcg 1 51 1 . . 1 1 13 13 ARG H H . . . 1 1 14 14 GLN H H . . . . . 2.4 1.8 3.0 . . . . . A . 13 ARG H . . A . 14 GLN H . . . 13 . HN . . . . . 14 . HN . . rr_1tcg 1 52 1 . . 1 1 14 14 GLN H H . . . 1 1 13 13 ARG HA H . . . . . 2.9 1.8 4.0 . . . . . A . 14 GLN H . . A . 13 ARG HA . . . 14 . HN . . . . . 13 . HA . . rr_1tcg 1 53 1 OR . 1 1 14 14 GLN H H . . . 1 1 13 13 ARG HB2 H . . . . . 2.9 1.8 4.0 . . . . . A . 14 GLN H . . A . 13 ARG HB2 . . . 14 . HN . . . . . 13 . HB# . . rr_1tcg 1 53 2 OR . 1 1 14 14 GLN H H . . . 1 1 13 13 ARG HB3 H . . . . . 2.9 1.8 4.0 . . . . . A . 14 GLN H . . A . 13 ARG HB3 . . . 14 . HN . . . . . 13 . HB# . . rr_1tcg 1 54 1 OR . 1 1 14 14 GLN H H . . . 1 1 13 13 ARG HG2 H . . . . . 2.9 1.8 4.0 . . . . . A . 14 GLN H . . A . 13 ARG HG2 . . . 14 . HN . . . . . 13 . HG# . . rr_1tcg 1 54 2 OR . 1 1 14 14 GLN H H . . . 1 1 13 13 ARG HG3 H . . . . . 2.9 1.8 4.0 . . . . . A . 14 GLN H . . A . 13 ARG HG3 . . . 14 . HN . . . . . 13 . HG# . . rr_1tcg 1 55 1 OR . 1 1 13 13 ARG HA H . . . 1 1 16 16 LYS HE2 H . . . . . 2.9 1.8 4.0 . . . . . A . 13 ARG HA . . A . 16 LYS HE2 . . . 13 . HA . . . . . 16 . HE# . . rr_1tcg 1 55 2 OR . 1 1 16 16 LYS HE3 H . . . 1 1 13 13 ARG HA H . . . . . 2.9 1.8 4.0 . . . . . A . 16 LYS HE3 . . A . 13 ARG HA . . . 16 . HE# . . . . . 13 . HA . . rr_1tcg 1 56 1 . . 1 1 14 14 GLN H H . . . 1 1 15 15 CYS H H . . . . . 2.4 1.8 3.0 . . . . . A . 14 GLN H . . A . 15 CYS H . . . 14 . HN . . . . . 15 . HN . . rr_1tcg 1 57 1 OR . 1 1 15 15 CYS H H . . . 1 1 14 14 GLN HB2 H . . . . . 2.9 1.8 4.0 . . . . . A . 15 CYS H . . A . 14 GLN HB2 . . . 15 . HN . . . . . 14 . HB# . . rr_1tcg 1 57 2 OR . 1 1 15 15 CYS H H . . . 1 1 14 14 GLN HB3 H . . . . . 2.9 1.8 4.0 . . . . . A . 15 CYS H . . A . 14 GLN HB3 . . . 15 . HN . . . . . 14 . HB# . . rr_1tcg 1 58 1 . . 1 1 14 14 GLN HA H . . . 1 1 17 17 HYP HG H . . . . . 2.9 1.8 4.0 . . . . . A . 14 GLN HA . . A . 17 HYP HG . . . 14 . HA . . . . . 17 . HG . . rr_1tcg 1 59 1 . . 1 1 15 15 CYS H H . . . 1 1 16 16 LYS H H . . . . . 2.1 1.8 2.5 . . . . . A . 15 CYS H . . A . 16 LYS H . . . 15 . HN . . . . . 16 . HN . . rr_1tcg 1 60 1 . . 1 1 16 16 LYS HA H . . . 1 1 15 15 CYS H H . . . . . 2.9 1.8 4.0 . . . . . A . 16 LYS HA . . A . 15 CYS H . . . 16 . HA . . . . . 15 . HN . . rr_1tcg 1 61 1 OR . 1 1 16 16 LYS H H . . . 1 1 15 15 CYS HB2 H . . . . . 2.9 1.8 4.0 . . . . . A . 16 LYS H . . A . 15 CYS HB2 . . . 16 . HN . . . . . 15 . HB# . . rr_1tcg 1 61 2 OR . 1 1 15 15 CYS HB3 H . . . 1 1 16 16 LYS H H . . . . . 2.9 1.8 4.0 . . . . . A . 15 CYS HB3 . . A . 16 LYS H . . . 15 . HB# . . . . . 16 . HN . . rr_1tcg 1 62 1 OR . 1 1 15 15 CYS HA H . . . 1 1 18 18 GLN HG2 H . . . . . 2.9 1.8 4.0 . . . . . A . 15 CYS HA . . A . 18 GLN HG2 . . . 15 . HA . . . . . 18 . HG# . . rr_1tcg 1 62 2 OR . 1 1 15 15 CYS HA H . . . 1 1 18 18 GLN HG3 H . . . . . 2.9 1.8 4.0 . . . . . A . 15 CYS HA . . A . 18 GLN HG3 . . . 15 . HA . . . . . 18 . HG# . . rr_1tcg 1 63 1 . . 1 1 16 16 LYS HA H . . . 1 1 21 21 CYS HB2 H . . . . . 2.1 1.8 2.5 . . . . . A . 16 LYS HA . . A . 21 CYS HB2 . . . 16 . HA . . . . . 21 . HB2 . . rr_1tcg 1 64 1 . . 1 1 16 16 LYS HA H . . . 1 1 21 21 CYS HB3 H . . . . . 2.9 1.8 4.0 . . . . . A . 16 LYS HA . . A . 21 CYS HB3 . . . 16 . HA . . . . . 21 . HB1 . . rr_1tcg 1 65 1 . . 1 1 17 17 HYP HA H . . . 1 1 22 22 ALA MB H . . . . . 2.9 1.8 4.0 . . . . . A . 17 HYP HA . . A . 22 ALA MB . . . 17 . HA . . . . . 22 . HB# . . rr_1tcg 1 66 1 . . 1 1 18 18 GLN H H . . . 1 1 19 19 ARG H H . . . . . 2.9 1.8 4.0 . . . . . A . 18 GLN H . . A . 19 ARG H . . . 18 . HN . . . . . 19 . HN . . rr_1tcg 1 67 1 . . 1 1 19 19 ARG H H . . . 1 1 18 18 GLN HA H . . . . . 2.1 1.8 2.5 . . . . . A . 19 ARG H . . A . 18 GLN HA . . . 19 . HN . . . . . 18 . HA . . rr_1tcg 1 68 1 OR . 1 1 19 19 ARG H H . . . 1 1 18 18 GLN HB2 H . . . . . 2.9 1.8 4.0 . . . . . A . 19 ARG H . . A . 18 GLN HB2 . . . 19 . HN . . . . . 18 . HB# . . rr_1tcg 1 68 2 OR . 1 1 19 19 ARG H H . . . 1 1 18 18 GLN HB3 H . . . . . 2.9 1.8 4.0 . . . . . A . 19 ARG H . . A . 18 GLN HB3 . . . 19 . HN . . . . . 18 . HB# . . rr_1tcg 1 69 1 OR . 1 1 19 19 ARG H H . . . 1 1 18 18 GLN HG2 H . . . . . 2.9 1.8 4.0 . . . . . A . 19 ARG H . . A . 18 GLN HG2 . . . 19 . HN . . . . . 18 . HG# . . rr_1tcg 1 69 2 OR . 1 1 18 18 GLN HG3 H . . . 1 1 19 19 ARG H H . . . . . 2.9 1.8 4.0 . . . . . A . 18 GLN HG3 . . A . 19 ARG H . . . 18 . HG# . . . . . 19 . HN . . rr_1tcg 1 70 1 OR . 1 1 20 20 CYS H H . . . 1 1 18 18 GLN HB2 H . . . . . 2.9 1.8 4.0 . . . . . A . 20 CYS H . . A . 18 GLN HB2 . . . 20 . HN . . . . . 18 . HB# . . rr_1tcg 1 70 2 OR . 1 1 18 18 GLN HB3 H . . . 1 1 20 20 CYS H H . . . . . 2.9 1.8 4.0 . . . . . A . 18 GLN HB3 . . A . 20 CYS H . . . 18 . HB# . . . . . 20 . HN . . rr_1tcg 1 71 1 OR . 1 1 20 20 CYS H H . . . 1 1 18 18 GLN HG2 H . . . . . 2.9 1.8 4.0 . . . . . A . 20 CYS H . . A . 18 GLN HG2 . . . 20 . HN . . . . . 18 . HG# . . rr_1tcg 1 71 2 OR . 1 1 18 18 GLN HG3 H . . . 1 1 20 20 CYS H H . . . . . 2.9 1.8 4.0 . . . . . A . 18 GLN HG3 . . A . 20 CYS H . . . 18 . HG# . . . . . 20 . HN . . rr_1tcg 1 72 1 . . 1 1 19 19 ARG H H . . . 1 1 20 20 CYS H H . . . . . 2.4 1.8 3.0 . . . . . A . 19 ARG H . . A . 20 CYS H . . . 19 . HN . . . . . 20 . HN . . rr_1tcg 1 73 1 . . 1 1 20 20 CYS H H . . . 1 1 19 19 ARG HA H . . . . . 2.9 1.8 4.0 . . . . . A . 20 CYS H . . A . 19 ARG HA . . . 20 . HN . . . . . 19 . HA . . rr_1tcg 1 74 1 OR . 1 1 20 20 CYS H H . . . 1 1 19 19 ARG HB2 H . . . . . 2.9 1.8 4.0 . . . . . A . 20 CYS H . . A . 19 ARG HB2 . . . 20 . HN . . . . . 19 . HB# . . rr_1tcg 1 74 2 OR . 1 1 20 20 CYS H H . . . 1 1 19 19 ARG HB3 H . . . . . 2.9 1.8 4.0 . . . . . A . 20 CYS H . . A . 19 ARG HB3 . . . 20 . HN . . . . . 19 . HB# . . rr_1tcg 1 75 1 . . 1 1 19 19 ARG HA H . . . 1 1 21 21 CYS H H . . . . . 2.9 1.8 4.0 . . . . . A . 19 ARG HA . . A . 21 CYS H . . . 19 . HA . . . . . 21 . HN . . rr_1tcg 1 76 1 . . 1 1 20 20 CYS H H . . . 1 1 21 21 CYS H H . . . . . 2.4 1.8 3.0 . . . . . A . 20 CYS H . . A . 21 CYS H . . . 20 . HN . . . . . 21 . HN . . rr_1tcg 1 77 1 . . 1 1 21 21 CYS H H . . . 1 1 20 20 CYS HA H . . . . . 2.9 1.8 4.0 . . . . . A . 21 CYS H . . A . 20 CYS HA . . . 21 . HN . . . . . 20 . HA . . rr_1tcg 1 78 1 . . 1 1 21 21 CYS HA H . . . 1 1 22 22 ALA H H . . . . . 2.9 1.8 4.0 . . . . . A . 21 CYS HA . . A . 22 ALA H . . . 21 . HA . . . . . 22 . HN . . rr_1tcg 1 79 1 . . 1 1 21 21 CYS HB3 H . . . 1 1 22 22 ALA H H . . . . . 2.4 1.8 3.0 . . . . . A . 21 CYS HB3 . . A . 22 ALA H . . . 21 . HB1 . . . . . 22 . HN . . rr_1tcg 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 ; mu-Conotoxin GIIIA K.Wakamatsu Nov. 25, 1991 1st value is equ. value, 2nd value is error on - side 3rd value is error on + side. TH r0 dlow dhigh 0 2.9 1.1 1.1 ( 1.8 - 4.0 ) 1 2.9 1.1 1.1 ( 1.8 - 4.0 ) 2 2.4 0.6 0.6 ( 1.8 - 3.0 ) 3 2.1 0.3 0.4 ( 1.8 - 2.5 ) No pseudoatoms are used. ; 2 1 10 35 rr_1tcg 1 2 ; echo=false wrnlev=0 ; 11 1 12 16 rr_1tcg 1 3 NOEs 13 1 13 7 rr_1tcg 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 32 1 "Not handling restraint 32, item 1, resonance(s) ' .6.HD#' (nmrStar names) not linked" rr_1tcg 1 2 2 33 1 "Not handling restraint 33, item 1, resonance(s) ' .6.HD#' (nmrStar names) not linked" rr_1tcg 1 3 2 35 1 "Not handling restraint 35, item 1, resonance(s) ' .6.HD#' (nmrStar names) not linked" rr_1tcg 1 4 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .7.HB#' (nmrStar names) not linked" rr_1tcg 1 5 2 66 1 "Not handling restraint 66, item 1, resonance(s) ' .17.HD#' (nmrStar names) not linked" rr_1tcg 1 6 2 68 1 "Not handling restraint 68, item 1, resonance(s) ' .17.HD#' (nmrStar names) not linked" rr_1tcg 1 7 2 69 1 "Not handling restraint 69, item 1, resonance(s) ' .17.HD#' (nmrStar names) not linked" rr_1tcg 1 8 2 70 1 "Not handling restraint 70, item 1, resonance(s) ' .17.HD#' (nmrStar names) not linked" rr_1tcg 1 9 2 70 1 "Not handling restraint 70, item 1, resonance(s) ' .17.HD#' (nmrStar names) not linked" rr_1tcg 1 10 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .17.HD#' (nmrStar names) not linked" rr_1tcg 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID rr_1tcg _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type 'disulfide bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1tcg 2 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 3 3 CYS SG S . . . 1 1 15 15 CYS SG S . . . . . 2.02 1.92 2.12 . . . . . A . 3 CYS SG . . A . 15 CYS SG . . . 3 . SG . . . . . 15 . SG . . rr_1tcg 2 2 1 . . 1 1 4 4 CYS SG S . . . 1 1 20 20 CYS SG S . . . . . 2.02 1.92 2.12 . . . . . A . 4 CYS SG . . A . 20 CYS SG . . . 4 . SG . . . . . 20 . SG . . rr_1tcg 2 3 1 . . 1 1 10 10 CYS SG S . . . 1 1 21 21 CYS SG S . . . . . 2.02 1.92 2.12 . . . . . A . 10 CYS SG . . A . 21 CYS SG . . . 10 . SG . . . . . 21 . SG . . rr_1tcg 2 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 'S-S bridges' 1 1 1 22 rr_1tcg 2 2 ; echo=true wrnlev=5 ; 5 1 6 16 rr_1tcg 2 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Entry_ID rr_1tcg _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 4 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . rr_1tcg 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 1 1 1 1 ARG C C . . 1 1 2 2 ASP N N . . 1 1 2 2 ASP CA C . . 1 1 2 2 ASP C C . -160.0 -80.0 . . . A . 1 ARG C . . A . 2 ASP N . . A . 2 ASP CA . . A . 2 ASP C . . . 1 . C . . . . . 2 . N . . . . . 2 . CA . . . . . 2 . C . . rr_1tcg 1 2 . . 1 1 3 3 CYS C C . . 1 1 4 4 CYS N N . . 1 1 4 4 CYS CA C . . 1 1 4 4 CYS C C . -160.0 -80.0 . . . A . 3 CYS C . . A . 4 CYS N . . A . 4 CYS CA . . A . 4 CYS C . . . 3 . C . . . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . rr_1tcg 1 3 . . 1 1 4 4 CYS C C . . 1 1 5 5 THR N N . . 1 1 5 5 THR CA C . . 1 1 5 5 THR C C . -160.0 -80.0 . . . A . 4 CYS C . . A . 5 THR N . . A . 5 THR CA . . A . 5 THR C . . . 4 . C . . . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . rr_1tcg 1 4 . . 1 1 10 10 CYS C C . . 1 1 11 11 LYS N N . . 1 1 11 11 LYS CA C . . 1 1 11 11 LYS C C . -160.0 -80.0 . . . A . 10 CYS C . . A . 11 LYS N . . A . 11 LYS CA . . A . 11 LYS C . . . 10 . C . . . . . 11 . N . . . . . 11 . CA . . . . . 11 . C . . rr_1tcg 1 5 . . 1 1 11 11 LYS C C . . 1 1 12 12 ASP N N . . 1 1 12 12 ASP CA C . . 1 1 12 12 ASP C C . -160.0 -80.0 . . . A . 11 LYS C . . A . 12 ASP N . . A . 12 ASP CA . . A . 12 ASP C . . . 11 . C . . . . . 12 . N . . . . . 12 . CA . . . . . 12 . C . . rr_1tcg 1 6 . . 1 1 14 14 GLN C C . . 1 1 15 15 CYS N N . . 1 1 15 15 CYS CA C . . 1 1 15 15 CYS C C . -160.0 -80.0 . . . A . 14 GLN C . . A . 15 CYS N . . A . 15 CYS CA . . A . 15 CYS C . . . 14 . C . . . . . 15 . N . . . . . 15 . CA . . . . . 15 . C . . rr_1tcg 1 7 . . 1 1 20 20 CYS C C . . 1 1 21 21 CYS N N . . 1 1 21 21 CYS CA C . . 1 1 21 21 CYS C C . -160.0 -80.0 . . . A . 20 CYS C . . A . 21 CYS N . . A . 21 CYS CA . . A . 21 CYS C . . . 20 . C . . . . . 21 . N . . . . . 21 . CA . . . . . 21 . C . . rr_1tcg 1 8 . . 1 1 2 2 ASP C C . . 1 1 3 3 CYS N N . . 1 1 3 3 CYS CA C . . 1 1 3 3 CYS C C . -90.0 -40.0 . . . A . 2 ASP C . . A . 3 CYS N . . A . 3 CYS CA . . A . 3 CYS C . . . 2 . C . . . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . rr_1tcg 1 9 . . 1 1 7 7 HYP C C . . 1 1 8 8 LYS N N . . 1 1 8 8 LYS CA C . . 1 1 8 8 LYS C C . -90.0 -40.0 . . . A . 7 HYP C . . A . 8 LYS N . . A . 8 LYS CA . . A . 8 LYS C . . . 7 . C . . . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . rr_1tcg 1 10 . . 1 1 12 12 ASP C C . . 1 1 13 13 ARG N N . . 1 1 13 13 ARG CA C . . 1 1 13 13 ARG C C . -90.0 -40.0 . . . A . 12 ASP C . . A . 13 ARG N . . A . 13 ARG CA . . A . 13 ARG C . . . 12 . C . . . . . 13 . N . . . . . 13 . CA . . . . . 13 . C . . rr_1tcg 1 11 . . 1 1 13 13 ARG C C . . 1 1 14 14 GLN N N . . 1 1 14 14 GLN CA C . . 1 1 14 14 GLN C C . -90.0 -40.0 . . . A . 13 ARG C . . A . 14 GLN N . . A . 14 GLN CA . . A . 14 GLN C . . . 13 . C . . . . . 14 . N . . . . . 14 . CA . . . . . 14 . C . . rr_1tcg 1 12 . . 1 1 18 18 GLN C C . . 1 1 19 19 ARG N N . . 1 1 19 19 ARG CA C . . 1 1 19 19 ARG C C . -90.0 -40.0 . . . A . 18 GLN C . . A . 19 ARG N . . A . 19 ARG CA . . A . 19 ARG C . . . 18 . C . . . . . 19 . N . . . . . 19 . CA . . . . . 19 . C . . rr_1tcg 1 13 . . 1 1 19 19 ARG C C . . 1 1 20 20 CYS N N . . 1 1 20 20 CYS CA C . . 1 1 20 20 CYS C C . -90.0 -40.0 . . . A . 19 ARG C . . A . 20 CYS N . . A . 20 CYS CA . . A . 20 CYS C . . . 19 . C . . . . . 20 . N . . . . . 20 . CA . . . . . 20 . C . . rr_1tcg 1 14 . . 1 1 21 21 CYS C C . . 1 1 22 22 ALA N N . . 1 1 22 22 ALA CA C . . 1 1 22 22 ALA C C . -90.0 -40.0 . . . A . 21 CYS C . . A . 22 ALA N . . A . 22 ALA CA . . A . 22 ALA C . . . 21 . C . . . . . 22 . N . . . . . 22 . CA . . . . . 22 . C . . rr_1tcg 1 15 . . 1 1 3 3 CYS N N . . 1 1 3 3 CYS CA C . . 1 1 3 3 CYS CB C . . 1 1 3 3 CYS SG S . -120.0 0.0 . . . A . 3 CYS N . . A . 3 CYS CA . . A . 3 CYS CB . . A . 3 CYS SG . . . 3 . N . . . . . 3 . CA . . . . . 3 . CB . . . . . 3 . SG . . rr_1tcg 1 16 . . 1 1 4 4 CYS N N . . 1 1 4 4 CYS CA C . . 1 1 4 4 CYS CB C . . 1 1 4 4 CYS SG S . -120.0 0.0 . . . A . 4 CYS N . . A . 4 CYS CA . . A . 4 CYS CB . . A . 4 CYS SG . . . 4 . N . . . . . 4 . CA . . . . . 4 . CB . . . . . 4 . SG . . rr_1tcg 1 17 . . 1 1 10 10 CYS N N . . 1 1 10 10 CYS CA C . . 1 1 10 10 CYS CB C . . 1 1 10 10 CYS SG S . -120.0 0.0 . . . A . 10 CYS N . . A . 10 CYS CA . . A . 10 CYS CB . . A . 10 CYS SG . . . 10 . N . . . . . 10 . CA . . . . . 10 . CB . . . . . 10 . SG . . rr_1tcg 1 18 . . 1 1 20 20 CYS N N . . 1 1 20 20 CYS CA C . . 1 1 20 20 CYS CB C . . 1 1 20 20 CYS SG S . 20.0 100.0 . . . A . 20 CYS N . . A . 20 CYS CA . . A . 20 CYS CB . . A . 20 CYS SG . . . 20 . N . . . . . 20 . CA . . . . . 20 . CB . . . . . 20 . SG . . rr_1tcg 1 19 . . 1 1 21 21 CYS N N . . 1 1 21 21 CYS CA C . . 1 1 21 21 CYS CB C . . 1 1 21 21 CYS SG S . -120.0 0.0 . . . A . 21 CYS N . . A . 21 CYS CA . . A . 21 CYS CB . . A . 21 CYS SG . . . 21 . N . . . . . 21 . CA . . . . . 21 . CB . . . . . 21 . SG . . rr_1tcg 1 20 . . 1 1 8 8 LYS N N . . 1 1 8 8 LYS CA C . . 1 1 8 8 LYS CB C . . 1 1 8 8 LYS CG C . -120.0 0.0 . . . A . 8 LYS N . . A . 8 LYS CA . . A . 8 LYS CB . . A . 8 LYS CG . . . 8 . N . . . . . 8 . CA . . . . . 8 . CB . . . . . 8 . CG . . rr_1tcg 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 J>8.0Hz 2 1 2 13 rr_1tcg 1 2 J<5.5Hz 17 1 17 13 rr_1tcg 1 3 'Cys chi1' 32 1 32 13 rr_1tcg 1 4 'others chi1' 43 1 43 15 rr_1tcg 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1tcg _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER NEUROTOXIN 12-DEC-92 1TCG *COMPND MU-CONOTOXIN GIIIA (PREVIOUSLY KNOWN AS GEOGRAPHUTOXIN I) *COMPND 2 (NMR, MINIMIZED AVERAGE STRUCTURE) *SOURCE SYNTHETIC PEPTIDE BASED ON THE SEQUENCE FROM *SOURCE 2 (CONUS GEOGRAPHUS L.) *EXPDTA NMR *AUTHOR D.KOHDA,J.-M.LANCELIN,F.INAGAKI,K.WAKAMATSU *REVDAT 1 12-OCT-04 1TCG 0' save_