data_Remediated_restraints_file_for_PDB_entry_1k18 # This BMRB archive file contains, for PDB entry 1k18: # # - 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_1k18 _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1k18' _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 1k18' _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 1k18 'Master copy' rr_1k18 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1k18 _Assembly.ID 1 _Assembly.Name 1k18 _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 3533.1915 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 'DNA POLYMERASE ALPHA CATALYTIC SUBUNIT' 1 $DNA_POLYMERASE_ALPHA_CATALYTIC_SUBUNIT A . no . . . . . . rr_1k18 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DNA_POLYMERASE_ALPHA_CATALYTIC_SUBUNIT _Entity.Sf_category entity _Entity.Sf_framecode DNA_POLYMERASE_ALPHA_CATALYTIC_SUBUNIT _Entity.Entry_ID rr_1k18 _Entity.ID 1 _Entity.Name DNA_POLYMERASE_ALPHA_CATALYTIC_SUBUNIT _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ; ICEEPTCRNRTRHLPLQFSR TGPLCPACMKA ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Number_of_monomers 31 _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 3533.1915 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 . ILE . rr_1k18 1 2 . CYS . rr_1k18 1 3 . GLU . rr_1k18 1 4 . GLU . rr_1k18 1 5 . PRO . rr_1k18 1 6 . THR . rr_1k18 1 7 . CYS . rr_1k18 1 8 . ARG . rr_1k18 1 9 . ASN . rr_1k18 1 10 . ARG . rr_1k18 1 11 . THR . rr_1k18 1 12 . ARG . rr_1k18 1 13 . HIS . rr_1k18 1 14 . LEU . rr_1k18 1 15 . PRO . rr_1k18 1 16 . LEU . rr_1k18 1 17 . GLN . rr_1k18 1 18 . PHE . rr_1k18 1 19 . SER . rr_1k18 1 20 . ARG . rr_1k18 1 21 . THR . rr_1k18 1 22 . GLY . rr_1k18 1 23 . PRO . rr_1k18 1 24 . LEU . rr_1k18 1 25 . CYS . rr_1k18 1 26 . PRO . rr_1k18 1 27 . ALA . rr_1k18 1 28 . CYS . rr_1k18 1 29 . MET . rr_1k18 1 30 . LYS . rr_1k18 1 31 . ALA . rr_1k18 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 . ILE 1 1 rr_1k18 1 . CYS 2 2 rr_1k18 1 . GLU 3 3 rr_1k18 1 . GLU 4 4 rr_1k18 1 . PRO 5 5 rr_1k18 1 . THR 6 6 rr_1k18 1 . CYS 7 7 rr_1k18 1 . ARG 8 8 rr_1k18 1 . ASN 9 9 rr_1k18 1 . ARG 10 10 rr_1k18 1 . THR 11 11 rr_1k18 1 . ARG 12 12 rr_1k18 1 . HIS 13 13 rr_1k18 1 . LEU 14 14 rr_1k18 1 . PRO 15 15 rr_1k18 1 . LEU 16 16 rr_1k18 1 . GLN 17 17 rr_1k18 1 . PHE 18 18 rr_1k18 1 . SER 19 19 rr_1k18 1 . ARG 20 20 rr_1k18 1 . THR 21 21 rr_1k18 1 . GLY 22 22 rr_1k18 1 . PRO 23 23 rr_1k18 1 . LEU 24 24 rr_1k18 1 . CYS 25 25 rr_1k18 1 . PRO 26 26 rr_1k18 1 . ALA 27 27 rr_1k18 1 . CYS 28 28 rr_1k18 1 . MET 29 29 rr_1k18 1 . LYS 30 30 rr_1k18 1 . ALA 31 31 rr_1k18 1 stop_ 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_1k18 _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_1k18 _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_1k18 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_1k18 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 ILE C C 9.076 0.689 2.819 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_1k18 1 . 1 . 2 . 1 1 1 ILE CA C 9.247 1.497 4.152 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_1k18 1 . 1 . 3 . 1 1 1 ILE CB C 7.957 1.816 4.953 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_1k18 1 . 1 . 4 . 1 1 1 ILE CD1 C 7.191 3.400 6.775 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_1k18 1 . 1 . 5 . 1 1 1 ILE CG1 C 8.174 2.275 6.420 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_1k18 1 . 1 . 6 . 1 1 1 ILE CG2 C 6.832 0.755 4.892 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_1k18 1 . 1 . 7 . 1 1 1 ILE H1 H 9.606 3.416 3.428 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_1k18 1 . 1 . 8 . 1 1 1 ILE H2 H 10.215 3.161 4.923 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H2 . . . . . . . . . rr_1k18 1 . 1 . 9 . 1 1 1 ILE HA H 9.769 0.857 4.828 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_1k18 1 . 1 . 10 . 1 1 1 ILE HB H 7.603 2.686 4.439 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_1k18 1 . 1 . 11 . 1 1 1 ILE HD11 H 7.319 3.738 7.814 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_1k18 1 . 1 . 12 . 1 1 1 ILE HD12 H 7.347 4.275 6.113 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_1k18 1 . 1 . 13 . 1 1 1 ILE HD13 H 6.142 3.080 6.634 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_1k18 1 . 1 . 14 . 1 1 1 ILE HG12 H 8.089 1.427 7.126 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_1k18 1 . 1 . 15 . 1 1 1 ILE HG13 H 9.202 2.662 6.568 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_1k18 1 . 1 . 16 . 1 1 1 ILE HG21 H 5.910 1.107 5.385 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_1k18 1 . 1 . 17 . 1 1 1 ILE HG22 H 6.538 0.522 3.852 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_1k18 1 . 1 . 18 . 1 1 1 ILE HG23 H 7.138 -0.196 5.362 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_1k18 1 . 1 . 19 . 1 1 1 ILE N N 10.087 2.718 4.005 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_1k18 1 . 1 . 20 . 1 1 1 ILE O O 9.488 -0.471 2.746 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_1k18 1 . 1 . 21 . 1 1 2 CYS C C 8.873 -0.018 -0.449 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_1k18 1 . 1 . 22 . 1 1 2 CYS CA C 7.859 0.479 0.652 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_1k18 1 . 1 . 23 . 1 1 2 CYS CB C 6.710 1.343 0.084 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_1k18 1 . 1 . 24 . 1 1 2 CYS H H 8.016 2.171 2.067 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_1k18 1 . 1 . 25 . 1 1 2 CYS HA H 7.374 -0.437 1.040 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_1k18 1 . 1 . 26 . 1 1 2 CYS HB2 H 6.964 2.418 0.029 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_1k18 1 . 1 . 27 . 1 1 2 CYS HB3 H 6.490 1.059 -0.959 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_1k18 1 . 1 . 28 . 1 1 2 CYS HG H 5.546 1.710 2.144 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HG . . . . . . . . . rr_1k18 1 . 1 . 29 . 1 1 2 CYS N N 8.388 1.251 1.811 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_1k18 1 . 1 . 30 . 1 1 2 CYS O O 8.888 0.442 -1.595 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_1k18 1 . 1 . 31 . 1 1 2 CYS SG S 5.174 1.092 1.026 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_1k18 1 . 1 . 32 . 1 1 3 GLU C C 9.203 -3.154 -1.501 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . rr_1k18 1 . 1 . 33 . 1 1 3 GLU CA C 10.214 -2.005 -1.155 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . rr_1k18 1 . 1 . 34 . 1 1 3 GLU CB C 11.554 -2.563 -0.602 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . rr_1k18 1 . 1 . 35 . 1 1 3 GLU CD C 14.008 -2.105 0.049 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . rr_1k18 1 . 1 . 36 . 1 1 3 GLU CG C 12.693 -1.519 -0.453 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . rr_1k18 1 . 1 . 37 . 1 1 3 GLU H H 9.644 -1.280 0.878 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . rr_1k18 1 . 1 . 38 . 1 1 3 GLU HA H 10.445 -1.440 -2.081 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . rr_1k18 1 . 1 . 39 . 1 1 3 GLU HB2 H 11.378 -3.066 0.371 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . rr_1k18 1 . 1 . 40 . 1 1 3 GLU HB3 H 11.909 -3.369 -1.274 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . rr_1k18 1 . 1 . 41 . 1 1 3 GLU HE2 H 15.585 -2.931 -0.575 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HE2 . . . . . . . . . rr_1k18 1 . 1 . 42 . 1 1 3 GLU HG2 H 12.879 -1.002 -1.413 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . rr_1k18 1 . 1 . 43 . 1 1 3 GLU HG3 H 12.390 -0.722 0.253 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . rr_1k18 1 . 1 . 44 . 1 1 3 GLU N N 9.603 -1.099 -0.136 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . rr_1k18 1 . 1 . 45 . 1 1 3 GLU O O 8.741 -3.859 -0.605 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . rr_1k18 1 . 1 . 46 . 1 1 3 GLU OE1 O 14.340 -2.136 1.227 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . rr_1k18 1 . 1 . 47 . 1 1 3 GLU OE2 O 14.776 -2.592 -0.962 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . rr_1k18 1 . 1 . 48 . 1 1 4 GLU C C 6.960 -5.376 -2.891 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . rr_1k18 1 . 1 . 49 . 1 1 4 GLU CA C 7.493 -3.924 -3.157 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . rr_1k18 1 . 1 . 50 . 1 1 4 GLU CB C 7.251 -3.523 -4.639 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . rr_1k18 1 . 1 . 51 . 1 1 4 GLU CD C 7.854 -3.750 -7.133 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . rr_1k18 1 . 1 . 52 . 1 1 4 GLU CG C 8.139 -4.215 -5.710 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . rr_1k18 1 . 1 . 53 . 1 1 4 GLU H H 9.306 -2.716 -3.426 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . rr_1k18 1 . 1 . 54 . 1 1 4 GLU HA H 6.750 -3.392 -2.521 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . rr_1k18 1 . 1 . 55 . 1 1 4 GLU HB2 H 6.189 -3.740 -4.879 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . rr_1k18 1 . 1 . 56 . 1 1 4 GLU HB3 H 7.325 -2.425 -4.732 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . rr_1k18 1 . 1 . 57 . 1 1 4 GLU HE2 H 6.827 -4.202 -8.656 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HE2 . . . . . . . . . rr_1k18 1 . 1 . 58 . 1 1 4 GLU HG2 H 9.210 -4.032 -5.508 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . rr_1k18 1 . 1 . 59 . 1 1 4 GLU HG3 H 8.015 -5.314 -5.663 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . rr_1k18 1 . 1 . 60 . 1 1 4 GLU N N 8.829 -3.348 -2.777 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . rr_1k18 1 . 1 . 61 . 1 1 4 GLU O O 5.766 -5.550 -3.161 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . rr_1k18 1 . 1 . 62 . 1 1 4 GLU OE1 O 8.371 -2.763 -7.644 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . rr_1k18 1 . 1 . 63 . 1 1 4 GLU OE2 O 6.959 -4.549 -7.773 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . rr_1k18 1 . 1 . 64 . 1 1 5 PRO C C 6.104 -6.531 -0.048 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . rr_1k18 1 . 1 . 65 . 1 1 5 PRO CA C 6.805 -7.235 -1.274 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . rr_1k18 1 . 1 . 66 . 1 1 5 PRO CB C 7.856 -8.299 -0.909 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . rr_1k18 1 . 1 . 67 . 1 1 5 PRO CD C 9.031 -6.644 -2.251 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . rr_1k18 1 . 1 . 68 . 1 1 5 PRO CG C 9.211 -7.593 -1.063 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . rr_1k18 1 . 1 . 69 . 1 1 5 PRO HA H 5.979 -7.679 -1.861 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . rr_1k18 1 . 1 . 70 . 1 1 5 PRO HB2 H 7.711 -8.729 0.101 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . rr_1k18 1 . 1 . 71 . 1 1 5 PRO HB3 H 7.788 -9.148 -1.618 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . rr_1k18 1 . 1 . 72 . 1 1 5 PRO HD2 H 9.683 -5.761 -2.157 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . rr_1k18 1 . 1 . 73 . 1 1 5 PRO HD3 H 9.291 -7.146 -3.205 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . rr_1k18 1 . 1 . 74 . 1 1 5 PRO HG2 H 9.440 -7.010 -0.149 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . rr_1k18 1 . 1 . 75 . 1 1 5 PRO HG3 H 10.048 -8.301 -1.209 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . rr_1k18 1 . 1 . 76 . 1 1 5 PRO N N 7.585 -6.366 -2.207 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . rr_1k18 1 . 1 . 77 . 1 1 5 PRO O O 5.097 -7.029 0.462 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . rr_1k18 1 . 1 . 78 . 1 1 6 THR C C 4.574 -3.791 0.568 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_1k18 1 . 1 . 79 . 1 1 6 THR CA C 5.825 -4.416 1.270 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_1k18 1 . 1 . 80 . 1 1 6 THR CB C 6.794 -3.351 1.869 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_1k18 1 . 1 . 81 . 1 1 6 THR CG2 C 6.187 -2.477 2.975 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_1k18 1 . 1 . 82 . 1 1 6 THR H H 7.244 -4.948 -0.323 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_1k18 1 . 1 . 83 . 1 1 6 THR HA H 5.450 -5.011 2.126 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_1k18 1 . 1 . 84 . 1 1 6 THR HB H 7.157 -2.694 1.055 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_1k18 1 . 1 . 85 . 1 1 6 THR HG1 H 8.326 -4.512 1.773 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_1k18 1 . 1 . 86 . 1 1 6 THR HG21 H 5.341 -1.858 2.621 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_1k18 1 . 1 . 87 . 1 1 6 THR HG22 H 5.822 -3.083 3.825 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_1k18 1 . 1 . 88 . 1 1 6 THR HG23 H 6.947 -1.786 3.383 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_1k18 1 . 1 . 89 . 1 1 6 THR N N 6.570 -5.336 0.361 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_1k18 1 . 1 . 90 . 1 1 6 THR O O 3.489 -3.953 1.085 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_1k18 1 . 1 . 91 . 1 1 6 THR OG1 O 7.923 -3.978 2.466 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_1k18 1 . 1 . 92 . 1 1 7 CYS C C 2.518 -3.856 -2.012 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_1k18 1 . 1 . 93 . 1 1 7 CYS CA C 3.541 -2.825 -1.512 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_1k18 1 . 1 . 94 . 1 1 7 CYS CB C 4.123 -1.953 -2.658 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_1k18 1 . 1 . 95 . 1 1 7 CYS H H 5.153 -2.252 -0.410 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_1k18 1 . 1 . 96 . 1 1 7 CYS HA H 2.790 -2.364 -0.859 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_1k18 1 . 1 . 97 . 1 1 7 CYS HB2 H 4.405 -2.604 -3.508 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_1k18 1 . 1 . 98 . 1 1 7 CYS HB3 H 3.345 -1.281 -3.063 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_1k18 1 . 1 . 99 . 1 1 7 CYS HG H 5.770 -0.372 -3.402 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HG . . . . . . . . . rr_1k18 1 . 1 . 100 . 1 1 7 CYS N N 4.668 -3.123 -0.591 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_1k18 1 . 1 . 101 . 1 1 7 CYS O O 1.403 -3.516 -2.397 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_1k18 1 . 1 . 102 . 1 1 7 CYS SG S 5.616 -0.968 -2.222 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_1k18 1 . 1 . 103 . 1 1 8 ARG C C 1.148 -6.298 -0.657 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . rr_1k18 1 . 1 . 104 . 1 1 8 ARG CA C 1.959 -6.218 -1.999 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . rr_1k18 1 . 1 . 105 . 1 1 8 ARG CB C 2.675 -7.499 -2.464 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . rr_1k18 1 . 1 . 106 . 1 1 8 ARG CD C 2.582 -9.969 -3.115 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . rr_1k18 1 . 1 . 107 . 1 1 8 ARG CG C 1.816 -8.783 -2.516 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . rr_1k18 1 . 1 . 108 . 1 1 8 ARG CZ C 0.925 -11.547 -4.151 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . rr_1k18 1 . 1 . 109 . 1 1 8 ARG H H 3.809 -4.973 -1.568 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . rr_1k18 1 . 1 . 110 . 1 1 8 ARG HA H 1.198 -6.011 -2.763 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . rr_1k18 1 . 1 . 111 . 1 1 8 ARG HB2 H 3.006 -7.267 -3.490 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . rr_1k18 1 . 1 . 112 . 1 1 8 ARG HB3 H 3.588 -7.675 -1.863 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . rr_1k18 1 . 1 . 113 . 1 1 8 ARG HD2 H 2.990 -9.722 -4.114 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . rr_1k18 1 . 1 . 114 . 1 1 8 ARG HD3 H 3.463 -10.191 -2.483 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . rr_1k18 1 . 1 . 115 . 1 1 8 ARG HG2 H 1.474 -9.065 -1.501 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . rr_1k18 1 . 1 . 116 . 1 1 8 ARG HG3 H 0.892 -8.610 -3.100 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . rr_1k18 1 . 1 . 117 . 1 1 8 ARG HH11 H 1.323 -10.019 -5.281 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . rr_1k18 1 . 1 . 118 . 1 1 8 ARG HH12 H 0.127 -11.260 -5.944 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . rr_1k18 1 . 1 . 119 . 1 1 8 ARG HH21 H 0.448 -13.079 -3.104 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . rr_1k18 1 . 1 . 120 . 1 1 8 ARG HH22 H -0.356 -12.926 -4.763 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . rr_1k18 1 . 1 . 121 . 1 1 8 ARG N N 2.934 -5.090 -2.088 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . rr_1k18 1 . 1 . 122 . 1 1 8 ARG NE N 1.720 -11.180 -3.152 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . rr_1k18 1 . 1 . 123 . 1 1 8 ARG NH1 N 0.774 -10.878 -5.255 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . rr_1k18 1 . 1 . 124 . 1 1 8 ARG NH2 N 0.261 -12.638 -4.006 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . rr_1k18 1 . 1 . 125 . 1 1 8 ARG O O -0.078 -6.173 -0.702 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . rr_1k18 1 . 1 . 126 . 1 1 9 ASN C C 0.422 -4.622 1.929 . . . 1.0 . . . . . . . . . . . . A . 9 ASN C . . . . . . . . . rr_1k18 1 . 1 . 127 . 1 1 9 ASN CA C 1.180 -6.008 1.833 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CA . . . . . . . . . rr_1k18 1 . 1 . 128 . 1 1 9 ASN CB C 2.205 -6.206 2.980 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CB . . . . . . . . . rr_1k18 1 . 1 . 129 . 1 1 9 ASN CG C 2.561 -7.657 3.307 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CG . . . . . . . . . rr_1k18 1 . 1 . 130 . 1 1 9 ASN H H 2.822 -6.457 0.408 . . . 1.0 . . . . . . . . . . . . A . 9 ASN H . . . . . . . . . rr_1k18 1 . 1 . 131 . 1 1 9 ASN HA H 0.386 -6.758 2.015 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HA . . . . . . . . . rr_1k18 1 . 1 . 132 . 1 1 9 ASN HB2 H 3.117 -5.604 2.834 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB2 . . . . . . . . . rr_1k18 1 . 1 . 133 . 1 1 9 ASN HB3 H 1.757 -5.809 3.908 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB3 . . . . . . . . . rr_1k18 1 . 1 . 134 . 1 1 9 ASN HD21 H 4.151 -7.646 2.097 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD21 . . . . . . . . . rr_1k18 1 . 1 . 135 . 1 1 9 ASN HD22 H 3.749 -9.172 3.041 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD22 . . . . . . . . . rr_1k18 1 . 1 . 136 . 1 1 9 ASN N N 1.806 -6.355 0.514 . . . 1.0 . . . . . . . . . . . . A . 9 ASN N . . . . . . . . . rr_1k18 1 . 1 . 137 . 1 1 9 ASN ND2 N 3.660 -8.176 2.826 . . . 1.0 . . . . . . . . . . . . A . 9 ASN ND2 . . . . . . . . . rr_1k18 1 . 1 . 138 . 1 1 9 ASN O O -0.583 -4.544 2.623 . . . 1.0 . . . . . . . . . . . . A . 9 ASN O . . . . . . . . . rr_1k18 1 . 1 . 139 . 1 1 9 ASN OD1 O 1.845 -8.348 4.016 . . . 1.0 . . . . . . . . . . . . A . 9 ASN OD1 . . . . . . . . . rr_1k18 1 . 1 . 140 . 1 1 10 ARG C C -0.935 -2.048 0.081 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . rr_1k18 1 . 1 . 141 . 1 1 10 ARG CA C 0.122 -2.244 1.149 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . rr_1k18 1 . 1 . 142 . 1 1 10 ARG CB C 0.918 -0.980 1.554 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . rr_1k18 1 . 1 . 143 . 1 1 10 ARG CD C 2.201 0.421 3.255 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . rr_1k18 1 . 1 . 144 . 1 1 10 ARG CG C 1.729 -0.993 2.868 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . rr_1k18 1 . 1 . 145 . 1 1 10 ARG CZ C 2.566 0.366 5.737 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . rr_1k18 1 . 1 . 146 . 1 1 10 ARG H H 1.812 -3.617 0.884 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . rr_1k18 1 . 1 . 147 . 1 1 10 ARG HA H -0.837 -2.351 1.693 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . rr_1k18 1 . 1 . 148 . 1 1 10 ARG HB2 H 1.570 -0.604 0.735 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . rr_1k18 1 . 1 . 149 . 1 1 10 ARG HB3 H 0.113 -0.244 1.676 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . rr_1k18 1 . 1 . 150 . 1 1 10 ARG HD2 H 2.814 0.852 2.441 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . rr_1k18 1 . 1 . 151 . 1 1 10 ARG HD3 H 1.346 1.119 3.366 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . rr_1k18 1 . 1 . 152 . 1 1 10 ARG HG2 H 1.124 -1.421 3.689 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . rr_1k18 1 . 1 . 153 . 1 1 10 ARG HG3 H 2.601 -1.672 2.773 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . rr_1k18 1 . 1 . 154 . 1 1 10 ARG HH11 H 0.679 0.396 5.251 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . rr_1k18 1 . 1 . 155 . 1 1 10 ARG HH12 H 1.079 0.348 7.050 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . rr_1k18 1 . 1 . 156 . 1 1 10 ARG HH21 H 4.388 0.273 6.347 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . rr_1k18 1 . 1 . 157 . 1 1 10 ARG HH22 H 3.074 0.291 7.645 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . rr_1k18 1 . 1 . 158 . 1 1 10 ARG N N 0.887 -3.511 1.344 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . rr_1k18 1 . 1 . 159 . 1 1 10 ARG NE N 3.027 0.379 4.488 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . rr_1k18 1 . 1 . 160 . 1 1 10 ARG NH1 N 1.305 0.392 6.056 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . rr_1k18 1 . 1 . 161 . 1 1 10 ARG NH2 N 3.427 0.316 6.690 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . rr_1k18 1 . 1 . 162 . 1 1 10 ARG O O -1.647 -1.051 0.098 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . rr_1k18 1 . 1 . 163 . 1 1 11 THR C C -3.194 -3.881 -1.088 . . . 1.0 . . . . . . . . . . . . A . 11 THR C . . . . . . . . . rr_1k18 1 . 1 . 164 . 1 1 11 THR CA C -2.108 -2.995 -1.806 . . . 1.0 . . . . . . . . . . . . A . 11 THR CA . . . . . . . . . rr_1k18 1 . 1 . 165 . 1 1 11 THR CB C -1.620 -3.660 -3.104 . . . 1.0 . . . . . . . . . . . . A . 11 THR CB . . . . . . . . . rr_1k18 1 . 1 . 166 . 1 1 11 THR CG2 C -2.719 -4.067 -4.103 . . . 1.0 . . . . . . . . . . . . A . 11 THR CG2 . . . . . . . . . rr_1k18 1 . 1 . 167 . 1 1 11 THR H H -0.605 -3.722 -0.657 . . . 1.0 . . . . . . . . . . . . A . 11 THR H . . . . . . . . . rr_1k18 1 . 1 . 168 . 1 1 11 THR HA H -2.452 -1.960 -1.903 . . . 1.0 . . . . . . . . . . . . A . 11 THR HA . . . . . . . . . rr_1k18 1 . 1 . 169 . 1 1 11 THR HB H -1.007 -4.504 -2.696 . . . 1.0 . . . . . . . . . . . . A . 11 THR HB . . . . . . . . . rr_1k18 1 . 1 . 170 . 1 1 11 THR HG1 H 0.069 -2.757 -3.422 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG1 . . . . . . . . . rr_1k18 1 . 1 . 171 . 1 1 11 THR HG21 H -2.292 -4.497 -5.026 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG21 . . . . . . . . . rr_1k18 1 . 1 . 172 . 1 1 11 THR HG22 H -3.432 -4.803 -3.690 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG22 . . . . . . . . . rr_1k18 1 . 1 . 173 . 1 1 11 THR HG23 H -3.313 -3.184 -4.414 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG23 . . . . . . . . . rr_1k18 1 . 1 . 174 . 1 1 11 THR N N -0.909 -2.806 -0.975 . . . 1.0 . . . . . . . . . . . . A . 11 THR N . . . . . . . . . rr_1k18 1 . 1 . 175 . 1 1 11 THR O O -4.391 -3.651 -1.063 . . . 1.0 . . . . . . . . . . . . A . 11 THR O . . . . . . . . . rr_1k18 1 . 1 . 176 . 1 1 11 THR OG1 O -0.795 -2.792 -3.858 . . . 1.0 . . . . . . . . . . . . A . 11 THR OG1 . . . . . . . . . rr_1k18 1 . 1 . 177 . 1 1 12 ARG C C -3.960 -4.468 1.899 . . . 1.0 . . . . . . . . . . . . A . 12 ARG C . . . . . . . . . rr_1k18 1 . 1 . 178 . 1 1 12 ARG CA C -3.446 -5.443 0.788 . . . 1.0 . . . . . . . . . . . . A . 12 ARG CA . . . . . . . . . rr_1k18 1 . 1 . 179 . 1 1 12 ARG CB C -2.557 -6.601 1.206 . . . 1.0 . . . . . . . . . . . . A . 12 ARG CB . . . . . . . . . rr_1k18 1 . 1 . 180 . 1 1 12 ARG CD C -2.349 -6.751 3.832 . . . 1.0 . . . . . . . . . . . . A . 12 ARG CD . . . . . . . . . rr_1k18 1 . 1 . 181 . 1 1 12 ARG CG C -2.860 -7.369 2.524 . . . 1.0 . . . . . . . . . . . . A . 12 ARG CG . . . . . . . . . rr_1k18 1 . 1 . 182 . 1 1 12 ARG CZ C -4.104 -7.091 5.590 . . . 1.0 . . . . . . . . . . . . A . 12 ARG CZ . . . . . . . . . rr_1k18 1 . 1 . 183 . 1 1 12 ARG H H -1.810 -5.229 -0.663 . . . 1.0 . . . . . . . . . . . . A . 12 ARG H . . . . . . . . . rr_1k18 1 . 1 . 184 . 1 1 12 ARG HA H -4.309 -5.861 0.417 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HA . . . . . . . . . rr_1k18 1 . 1 . 185 . 1 1 12 ARG HB2 H -2.513 -7.350 0.388 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HB2 . . . . . . . . . rr_1k18 1 . 1 . 186 . 1 1 12 ARG HB3 H -1.611 -6.068 1.144 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HB3 . . . . . . . . . rr_1k18 1 . 1 . 187 . 1 1 12 ARG HD2 H -1.253 -6.864 3.873 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HD2 . . . . . . . . . rr_1k18 1 . 1 . 188 . 1 1 12 ARG HD3 H -2.539 -5.665 3.870 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HD3 . . . . . . . . . rr_1k18 1 . 1 . 189 . 1 1 12 ARG HG2 H -3.950 -7.499 2.619 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HG2 . . . . . . . . . rr_1k18 1 . 1 . 190 . 1 1 12 ARG HG3 H -2.458 -8.398 2.462 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HG3 . . . . . . . . . rr_1k18 1 . 1 . 191 . 1 1 12 ARG HH11 H -4.572 -5.665 4.332 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HH11 . . . . . . . . . rr_1k18 1 . 1 . 192 . 1 1 12 ARG HH12 H -5.769 -6.006 5.682 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HH12 . . . . . . . . . rr_1k18 1 . 1 . 193 . 1 1 12 ARG HH21 H -3.785 -8.499 6.849 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HH21 . . . . . . . . . rr_1k18 1 . 1 . 194 . 1 1 12 ARG HH22 H -5.362 -7.546 7.042 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HH22 . . . . . . . . . rr_1k18 1 . 1 . 195 . 1 1 12 ARG N N -2.757 -4.916 -0.415 . . . 1.0 . . . . . . . . . . . . A . 12 ARG N . . . . . . . . . rr_1k18 1 . 1 . 196 . 1 1 12 ARG NE N -2.946 -7.415 5.020 . . . 1.0 . . . . . . . . . . . . A . 12 ARG NE . . . . . . . . . rr_1k18 1 . 1 . 197 . 1 1 12 ARG NH1 N -4.898 -6.148 5.173 . . . 1.0 . . . . . . . . . . . . A . 12 ARG NH1 . . . . . . . . . rr_1k18 1 . 1 . 198 . 1 1 12 ARG NH2 N -4.460 -7.766 6.624 . . . 1.0 . . . . . . . . . . . . A . 12 ARG NH2 . . . . . . . . . rr_1k18 1 . 1 . 199 . 1 1 12 ARG O O -5.118 -4.560 2.304 . . . 1.0 . . . . . . . . . . . . A . 12 ARG O . . . . . . . . . rr_1k18 1 . 1 . 200 . 1 1 13 HIS C C -4.455 -1.223 2.016 . . . 1.0 . . . . . . . . . . . . A . 13 HIS C . . . . . . . . . rr_1k18 1 . 1 . 201 . 1 1 13 HIS CA C -3.638 -2.195 2.875 . . . 1.0 . . . . . . . . . . . . A . 13 HIS CA . . . . . . . . . rr_1k18 1 . 1 . 202 . 1 1 13 HIS CB C -2.658 -1.555 3.900 . . . 1.0 . . . . . . . . . . . . A . 13 HIS CB . . . . . . . . . rr_1k18 1 . 1 . 203 . 1 1 13 HIS CD2 C -1.064 -3.087 5.302 . . . 1.0 . . . . . . . . . . . . A . 13 HIS CD2 . . . . . . . . . rr_1k18 1 . 1 . 204 . 1 1 13 HIS CE1 C -2.470 -3.796 6.694 . . . 1.0 . . . . . . . . . . . . A . 13 HIS CE1 . . . . . . . . . rr_1k18 1 . 1 . 205 . 1 1 13 HIS CG C -2.296 -2.445 5.092 . . . 1.0 . . . . . . . . . . . . A . 13 HIS CG . . . . . . . . . rr_1k18 1 . 1 . 206 . 1 1 13 HIS H H -2.167 -3.784 2.349 . . . 1.0 . . . . . . . . . . . . A . 13 HIS H . . . . . . . . . rr_1k18 1 . 1 . 207 . 1 1 13 HIS HA H -4.600 -2.452 3.296 . . . 1.0 . . . . . . . . . . . . A . 13 HIS HA . . . . . . . . . rr_1k18 1 . 1 . 208 . 1 1 13 HIS HB2 H -1.749 -1.197 3.388 . . . 1.0 . . . . . . . . . . . . A . 13 HIS HB2 . . . . . . . . . rr_1k18 1 . 1 . 209 . 1 1 13 HIS HB3 H -3.121 -0.639 4.314 . . . 1.0 . . . . . . . . . . . . A . 13 HIS HB3 . . . . . . . . . rr_1k18 1 . 1 . 210 . 1 1 13 HIS HD2 H -0.212 -3.007 4.644 . . . 1.0 . . . . . . . . . . . . A . 13 HIS HD2 . . . . . . . . . rr_1k18 1 . 1 . 211 . 1 1 13 HIS HE1 H -2.942 -4.443 7.423 . . . 1.0 . . . . . . . . . . . . A . 13 HIS HE1 . . . . . . . . . rr_1k18 1 . 1 . 212 . 1 1 13 HIS HE2 H -0.565 -4.780 6.585 . . . 1.0 . . . . . . . . . . . . A . 13 HIS HE2 . . . . . . . . . rr_1k18 1 . 1 . 213 . 1 1 13 HIS N N -3.152 -3.491 2.312 . . . 1.0 . . . . . . . . . . . . A . 13 HIS N . . . . . . . . . rr_1k18 1 . 1 . 214 . 1 1 13 HIS ND1 N -3.230 -2.880 6.016 . . . 1.0 . . . . . . . . . . . . A . 13 HIS ND1 . . . . . . . . . rr_1k18 1 . 1 . 215 . 1 1 13 HIS NE2 N -1.154 -3.969 6.364 . . . 1.0 . . . . . . . . . . . . A . 13 HIS NE2 . . . . . . . . . rr_1k18 1 . 1 . 216 . 1 1 13 HIS O O -5.159 -0.340 2.498 . . . 1.0 . . . . . . . . . . . . A . 13 HIS O . . . . . . . . . rr_1k18 1 . 1 . 217 . 1 1 14 LEU C C -6.836 -1.452 -0.018 . . . 1.0 . . . . . . . . . . . . A . 14 LEU C . . . . . . . . . rr_1k18 1 . 1 . 218 . 1 1 14 LEU CA C -5.375 -0.942 -0.208 . . . 1.0 . . . . . . . . . . . . A . 14 LEU CA . . . . . . . . . rr_1k18 1 . 1 . 219 . 1 1 14 LEU CB C -4.867 -0.777 -1.650 . . . 1.0 . . . . . . . . . . . . A . 14 LEU CB . . . . . . . . . rr_1k18 1 . 1 . 220 . 1 1 14 LEU CD1 C -6.190 1.275 -2.424 . . . 1.0 . . . . . . . . . . . . A . 14 LEU CD1 . . . . . . . . . rr_1k18 1 . 1 . 221 . 1 1 14 LEU CD2 C -5.416 -0.482 -4.100 . . . 1.0 . . . . . . . . . . . . A . 14 LEU CD2 . . . . . . . . . rr_1k18 1 . 1 . 222 . 1 1 14 LEU CG C -5.873 -0.202 -2.658 . . . 1.0 . . . . . . . . . . . . A . 14 LEU CG . . . . . . . . . rr_1k18 1 . 1 . 223 . 1 1 14 LEU H H -3.629 -2.067 0.646 . . . 1.0 . . . . . . . . . . . . A . 14 LEU H . . . . . . . . . rr_1k18 1 . 1 . 224 . 1 1 14 LEU HA H -5.471 0.012 0.142 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HA . . . . . . . . . rr_1k18 1 . 1 . 225 . 1 1 14 LEU HB2 H -3.927 -0.207 -1.613 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HB2 . . . . . . . . . rr_1k18 1 . 1 . 226 . 1 1 14 LEU HB3 H -4.576 -1.744 -2.040 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HB3 . . . . . . . . . rr_1k18 1 . 1 . 227 . 1 1 14 LEU HD11 H -5.294 1.914 -2.447 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD11 . . . . . . . . . rr_1k18 1 . 1 . 228 . 1 1 14 LEU HD12 H -6.899 1.643 -3.182 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD12 . . . . . . . . . rr_1k18 1 . 1 . 229 . 1 1 14 LEU HD13 H -6.671 1.430 -1.440 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD13 . . . . . . . . . rr_1k18 1 . 1 . 230 . 1 1 14 LEU HD21 H -4.441 -0.012 -4.332 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD21 . . . . . . . . . rr_1k18 1 . 1 . 231 . 1 1 14 LEU HD22 H -5.286 -1.567 -4.281 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD22 . . . . . . . . . rr_1k18 1 . 1 . 232 . 1 1 14 LEU HD23 H -6.144 -0.126 -4.850 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD23 . . . . . . . . . rr_1k18 1 . 1 . 233 . 1 1 14 LEU HG H -6.805 -0.755 -2.454 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HG . . . . . . . . . rr_1k18 1 . 1 . 234 . 1 1 14 LEU N N -4.307 -1.327 0.727 . . . 1.0 . . . . . . . . . . . . A . 14 LEU N . . . . . . . . . rr_1k18 1 . 1 . 235 . 1 1 14 LEU O O -7.714 -0.598 0.135 . . . 1.0 . . . . . . . . . . . . A . 14 LEU O . . . . . . . . . rr_1k18 1 . 1 . 236 . 1 1 15 PRO C C -8.198 -3.033 2.587 . . . 1.0 . . . . . . . . . . . . A . 15 PRO C . . . . . . . . . rr_1k18 1 . 1 . 237 . 1 1 15 PRO CA C -8.225 -3.147 1.048 . . . 1.0 . . . . . . . . . . . . A . 15 PRO CA . . . . . . . . . rr_1k18 1 . 1 . 238 . 1 1 15 PRO CB C -8.315 -4.594 0.673 . . . 1.0 . . . . . . . . . . . . A . 15 PRO CB . . . . . . . . . rr_1k18 1 . 1 . 239 . 1 1 15 PRO CD C -7.367 -3.526 -1.160 . . . 1.0 . . . . . . . . . . . . A . 15 PRO CD . . . . . . . . . rr_1k18 1 . 1 . 240 . 1 1 15 PRO CG C -8.476 -4.522 -0.839 . . . 1.0 . . . . . . . . . . . . A . 15 PRO CG . . . . . . . . . rr_1k18 1 . 1 . 241 . 1 1 15 PRO HA H -9.131 -2.555 0.829 . . . 1.0 . . . . . . . . . . . . A . 15 PRO HA . . . . . . . . . rr_1k18 1 . 1 . 242 . 1 1 15 PRO HB2 H -7.346 -5.035 1.021 . . . 1.0 . . . . . . . . . . . . A . 15 PRO HB2 . . . . . . . . . rr_1k18 1 . 1 . 243 . 1 1 15 PRO HB3 H -9.150 -5.020 1.226 . . . 1.0 . . . . . . . . . . . . A . 15 PRO HB3 . . . . . . . . . rr_1k18 1 . 1 . 244 . 1 1 15 PRO HD2 H -6.511 -4.168 -1.383 . . . 1.0 . . . . . . . . . . . . A . 15 PRO HD2 . . . . . . . . . rr_1k18 1 . 1 . 245 . 1 1 15 PRO HD3 H -7.567 -2.891 -2.054 . . . 1.0 . . . . . . . . . . . . A . 15 PRO HD3 . . . . . . . . . rr_1k18 1 . 1 . 246 . 1 1 15 PRO HG2 H -8.341 -5.501 -1.335 . . . 1.0 . . . . . . . . . . . . A . 15 PRO HG2 . . . . . . . . . rr_1k18 1 . 1 . 247 . 1 1 15 PRO HG3 H -9.471 -4.128 -1.130 . . . 1.0 . . . . . . . . . . . . A . 15 PRO HG3 . . . . . . . . . rr_1k18 1 . 1 . 248 . 1 1 15 PRO N N -7.140 -2.750 0.089 . . . 1.0 . . . . . . . . . . . . A . 15 PRO N . . . . . . . . . rr_1k18 1 . 1 . 249 . 1 1 15 PRO O O -9.077 -3.527 3.300 . . . 1.0 . . . . . . . . . . . . A . 15 PRO O . . . . . . . . . rr_1k18 1 . 1 . 250 . 1 1 16 LEU C C -8.160 0.215 3.357 . . . 1.0 . . . . . . . . . . . . A . 16 LEU C . . . . . . . . . rr_1k18 1 . 1 . 251 . 1 1 16 LEU CA C -7.704 -1.139 4.020 . . . 1.0 . . . . . . . . . . . . A . 16 LEU CA . . . . . . . . . rr_1k18 1 . 1 . 252 . 1 1 16 LEU CB C -6.571 -1.062 5.078 . . . 1.0 . . . . . . . . . . . . A . 16 LEU CB . . . . . . . . . rr_1k18 1 . 1 . 253 . 1 1 16 LEU CD1 C -5.937 -1.149 7.535 . . . 1.0 . . . . . . . . . . . . A . 16 LEU CD1 . . . . . . . . . rr_1k18 1 . 1 . 254 . 1 1 16 LEU CD2 C -7.669 0.497 6.804 . . . 1.0 . . . . . . . . . . . . A . 16 LEU CD2 . . . . . . . . . rr_1k18 1 . 1 . 255 . 1 1 16 LEU CG C -7.067 -0.889 6.528 . . . 1.0 . . . . . . . . . . . . A . 16 LEU CG . . . . . . . . . rr_1k18 1 . 1 . 256 . 1 1 16 LEU H H -6.768 -1.923 2.249 . . . 1.0 . . . . . . . . . . . . A . 16 LEU H . . . . . . . . . rr_1k18 1 . 1 . 257 . 1 1 16 LEU HA H -8.575 -1.541 4.496 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HA . . . . . . . . . rr_1k18 1 . 1 . 258 . 1 1 16 LEU HB2 H -5.975 -1.998 5.041 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HB2 . . . . . . . . . rr_1k18 1 . 1 . 259 . 1 1 16 LEU HB3 H -5.853 -0.276 4.788 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HB3 . . . . . . . . . rr_1k18 1 . 1 . 260 . 1 1 16 LEU HD11 H -5.086 -0.456 7.394 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HD11 . . . . . . . . . rr_1k18 1 . 1 . 261 . 1 1 16 LEU HD12 H -6.280 -1.045 8.581 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HD12 . . . . . . . . . rr_1k18 1 . 1 . 262 . 1 1 16 LEU HD13 H -5.537 -2.174 7.436 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HD13 . . . . . . . . . rr_1k18 1 . 1 . 263 . 1 1 16 LEU HD21 H -8.009 0.601 7.851 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HD21 . . . . . . . . . rr_1k18 1 . 1 . 264 . 1 1 16 LEU HD22 H -6.936 1.304 6.613 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HD22 . . . . . . . . . rr_1k18 1 . 1 . 265 . 1 1 16 LEU HD23 H -8.549 0.700 6.168 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HD23 . . . . . . . . . rr_1k18 1 . 1 . 266 . 1 1 16 LEU HG H -7.843 -1.667 6.661 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HG . . . . . . . . . rr_1k18 1 . 1 . 267 . 1 1 16 LEU N N -7.331 -2.173 3.049 . . . 1.0 . . . . . . . . . . . . A . 16 LEU N . . . . . . . . . rr_1k18 1 . 1 . 268 . 1 1 16 LEU O O -7.497 1.255 3.450 . . . 1.0 . . . . . . . . . . . . A . 16 LEU O . . . . . . . . . rr_1k18 1 . 1 . 269 . 1 1 17 GLN C C -10.601 2.506 2.765 . . . 1.0 . . . . . . . . . . . . A . 17 GLN C . . . . . . . . . rr_1k18 1 . 1 . 270 . 1 1 17 GLN CA C -9.860 1.388 1.944 . . . 1.0 . . . . . . . . . . . . A . 17 GLN CA . . . . . . . . . rr_1k18 1 . 1 . 271 . 1 1 17 GLN CB C -10.635 0.892 0.696 . . . 1.0 . . . . . . . . . . . . A . 17 GLN CB . . . . . . . . . rr_1k18 1 . 1 . 272 . 1 1 17 GLN CD C -12.586 -0.437 -0.367 . . . 1.0 . . . . . . . . . . . . A . 17 GLN CD . . . . . . . . . rr_1k18 1 . 1 . 273 . 1 1 17 GLN CG C -11.917 0.041 0.921 . . . 1.0 . . . . . . . . . . . . A . 17 GLN CG . . . . . . . . . rr_1k18 1 . 1 . 274 . 1 1 17 GLN H H -9.868 -0.669 2.790 . . . 1.0 . . . . . . . . . . . . A . 17 GLN H . . . . . . . . . rr_1k18 1 . 1 . 275 . 1 1 17 GLN HA H -8.977 1.934 1.545 . . . 1.0 . . . . . . . . . . . . A . 17 GLN HA . . . . . . . . . rr_1k18 1 . 1 . 276 . 1 1 17 GLN HB2 H -10.889 1.789 0.097 . . . 1.0 . . . . . . . . . . . . A . 17 GLN HB2 . . . . . . . . . rr_1k18 1 . 1 . 277 . 1 1 17 GLN HB3 H -9.929 0.342 0.047 . . . 1.0 . . . . . . . . . . . . A . 17 GLN HB3 . . . . . . . . . rr_1k18 1 . 1 . 278 . 1 1 17 GLN HE21 H -13.423 1.338 -0.629 . . . 1.0 . . . . . . . . . . . . A . 17 GLN HE21 . . . . . . . . . rr_1k18 1 . 1 . 279 . 1 1 17 GLN HE22 H -13.725 0.022 -1.887 . . . 1.0 . . . . . . . . . . . . A . 17 GLN HE22 . . . . . . . . . rr_1k18 1 . 1 . 280 . 1 1 17 GLN HG2 H -11.671 -0.860 1.510 . . . 1.0 . . . . . . . . . . . . A . 17 GLN HG2 . . . . . . . . . rr_1k18 1 . 1 . 281 . 1 1 17 GLN HG3 H -12.648 0.595 1.539 . . . 1.0 . . . . . . . . . . . . A . 17 GLN HG3 . . . . . . . . . rr_1k18 1 . 1 . 282 . 1 1 17 GLN N N -9.344 0.210 2.708 . . . 1.0 . . . . . . . . . . . . A . 17 GLN N . . . . . . . . . rr_1k18 1 . 1 . 283 . 1 1 17 GLN NE2 N -13.396 0.381 -0.987 . . . 1.0 . . . . . . . . . . . . A . 17 GLN NE2 . . . . . . . . . rr_1k18 1 . 1 . 284 . 1 1 17 GLN O O -11.728 2.922 2.488 . . . 1.0 . . . . . . . . . . . . A . 17 GLN O . . . . . . . . . rr_1k18 1 . 1 . 285 . 1 1 17 GLN OE1 O -12.393 -1.554 -0.830 . . . 1.0 . . . . . . . . . . . . A . 17 GLN OE1 . . . . . . . . . rr_1k18 1 . 1 . 286 . 1 1 18 PHE C C -9.080 5.157 2.124 . . . 1.0 . . . . . . . . . . . . A . 18 PHE C . . . . . . . . . rr_1k18 1 . 1 . 287 . 1 1 18 PHE CA C -9.608 4.637 3.517 . . . 1.0 . . . . . . . . . . . . A . 18 PHE CA . . . . . . . . . rr_1k18 1 . 1 . 288 . 1 1 18 PHE CB C -8.564 5.009 4.604 . . . 1.0 . . . . . . . . . . . . A . 18 PHE CB . . . . . . . . . rr_1k18 1 . 1 . 289 . 1 1 18 PHE CD1 C -9.482 6.419 6.448 . . . 1.0 . . . . . . . . . . . . A . 18 PHE CD1 . . . . . . . . . rr_1k18 1 . 1 . 290 . 1 1 18 PHE CD2 C -8.749 4.175 6.945 . . . 1.0 . . . . . . . . . . . . A . 18 PHE CD2 . . . . . . . . . rr_1k18 1 . 1 . 291 . 1 1 18 PHE CE1 C -9.562 6.694 7.801 . . . 1.0 . . . . . . . . . . . . A . 18 PHE CE1 . . . . . . . . . rr_1k18 1 . 1 . 292 . 1 1 18 PHE CE2 C -8.828 4.445 8.298 . . . 1.0 . . . . . . . . . . . . A . 18 PHE CE2 . . . . . . . . . rr_1k18 1 . 1 . 293 . 1 1 18 PHE CG C -9.048 5.168 6.020 . . . 1.0 . . . . . . . . . . . . A . 18 PHE CG . . . . . . . . . rr_1k18 1 . 1 . 294 . 1 1 18 PHE CZ C -9.238 5.708 8.740 . . . 1.0 . . . . . . . . . . . . A . 18 PHE CZ . . . . . . . . . rr_1k18 1 . 1 . 295 . 1 1 18 PHE H H -9.023 2.601 3.887 . . . 1.0 . . . . . . . . . . . . A . 18 PHE H . . . . . . . . . rr_1k18 1 . 1 . 296 . 1 1 18 PHE HA H -10.566 5.138 3.714 . . . 1.0 . . . . . . . . . . . . A . 18 PHE HA . . . . . . . . . rr_1k18 1 . 1 . 297 . 1 1 18 PHE HB2 H -7.724 4.288 4.612 . . . 1.0 . . . . . . . . . . . . A . 18 PHE HB2 . . . . . . . . . rr_1k18 1 . 1 . 298 . 1 1 18 PHE HB3 H -8.078 5.970 4.368 . . . 1.0 . . . . . . . . . . . . A . 18 PHE HB3 . . . . . . . . . rr_1k18 1 . 1 . 299 . 1 1 18 PHE HD1 H -9.663 7.213 5.735 . . . 1.0 . . . . . . . . . . . . A . 18 PHE HD1 . . . . . . . . . rr_1k18 1 . 1 . 300 . 1 1 18 PHE HD2 H -8.364 3.221 6.617 . . . 1.0 . . . . . . . . . . . . A . 18 PHE HD2 . . . . . . . . . rr_1k18 1 . 1 . 301 . 1 1 18 PHE HE1 H -9.798 7.712 8.046 . . . 1.0 . . . . . . . . . . . . A . 18 PHE HE1 . . . . . . . . . rr_1k18 1 . 1 . 302 . 1 1 18 PHE HE2 H -8.478 3.658 8.940 . . . 1.0 . . . . . . . . . . . . A . 18 PHE HE2 . . . . . . . . . rr_1k18 1 . 1 . 303 . 1 1 18 PHE HZ H -9.260 5.934 9.796 . . . 1.0 . . . . . . . . . . . . A . 18 PHE HZ . . . . . . . . . rr_1k18 1 . 1 . 304 . 1 1 18 PHE N N -9.833 3.169 3.635 . . . 1.0 . . . . . . . . . . . . A . 18 PHE N . . . . . . . . . rr_1k18 1 . 1 . 305 . 1 1 18 PHE O O -9.575 6.143 1.577 . . . 1.0 . . . . . . . . . . . . A . 18 PHE O . . . . . . . . . rr_1k18 1 . 1 . 306 . 1 1 19 SER C C -8.435 4.163 -0.929 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_1k18 1 . 1 . 307 . 1 1 19 SER CA C -7.541 4.717 0.221 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_1k18 1 . 1 . 308 . 1 1 19 SER CB C -6.166 4.045 0.097 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_1k18 1 . 1 . 309 . 1 1 19 SER H H -7.924 3.598 2.074 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_1k18 1 . 1 . 310 . 1 1 19 SER HA H -7.357 5.795 0.087 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_1k18 1 . 1 . 311 . 1 1 19 SER HB2 H -6.245 2.970 0.339 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_1k18 1 . 1 . 312 . 1 1 19 SER HB3 H -5.829 4.085 -0.956 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_1k18 1 . 1 . 313 . 1 1 19 SER HG H -5.585 4.833 1.776 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_1k18 1 . 1 . 314 . 1 1 19 SER N N -8.050 4.486 1.589 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_1k18 1 . 1 . 315 . 1 1 19 SER O O -8.838 2.999 -0.954 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_1k18 1 . 1 . 316 . 1 1 19 SER OG O -5.191 4.689 0.908 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_1k18 1 . 1 . 317 . 1 1 20 ARG C C -7.111 5.070 -3.975 . . . 1.0 . . . . . . . . . . . . A . 20 ARG C . . . . . . . . . rr_1k18 1 . 1 . 318 . 1 1 20 ARG CA C -8.407 4.450 -3.371 . . . 1.0 . . . . . . . . . . . . A . 20 ARG CA . . . . . . . . . rr_1k18 1 . 1 . 319 . 1 1 20 ARG CB C -9.712 4.688 -4.170 . . . 1.0 . . . . . . . . . . . . A . 20 ARG CB . . . . . . . . . rr_1k18 1 . 1 . 320 . 1 1 20 ARG CD C -9.525 2.535 -5.599 . . . 1.0 . . . . . . . . . . . . A . 20 ARG CD . . . . . . . . . rr_1k18 1 . 1 . 321 . 1 1 20 ARG CG C -9.764 4.051 -5.582 . . . 1.0 . . . . . . . . . . . . A . 20 ARG CG . . . . . . . . . rr_1k18 1 . 1 . 322 . 1 1 20 ARG CZ C -9.033 1.817 -7.955 . . . 1.0 . . . . . . . . . . . . A . 20 ARG CZ . . . . . . . . . rr_1k18 1 . 1 . 323 . 1 1 20 ARG H H -8.232 5.911 -1.746 . . . 1.0 . . . . . . . . . . . . A . 20 ARG H . . . . . . . . . rr_1k18 1 . 1 . 324 . 1 1 20 ARG HA H -8.288 3.349 -3.347 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HA . . . . . . . . . rr_1k18 1 . 1 . 325 . 1 1 20 ARG HB2 H -10.563 4.286 -3.584 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HB2 . . . . . . . . . rr_1k18 1 . 1 . 326 . 1 1 20 ARG HB3 H -9.908 5.771 -4.254 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HB3 . . . . . . . . . rr_1k18 1 . 1 . 327 . 1 1 20 ARG HD2 H -8.483 2.305 -5.302 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HD2 . . . . . . . . . rr_1k18 1 . 1 . 328 . 1 1 20 ARG HD3 H -10.162 2.066 -4.826 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HD3 . . . . . . . . . rr_1k18 1 . 1 . 329 . 1 1 20 ARG HG2 H -10.750 4.264 -6.037 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HG2 . . . . . . . . . rr_1k18 1 . 1 . 330 . 1 1 20 ARG HG3 H -9.027 4.525 -6.251 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HG3 . . . . . . . . . rr_1k18 1 . 1 . 331 . 1 1 20 ARG HH11 H -7.516 2.675 -7.098 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HH11 . . . . . . . . . rr_1k18 1 . 1 . 332 . 1 1 20 ARG HH12 H -7.267 2.070 -8.822 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HH12 . . . . . . . . . rr_1k18 1 . 1 . 333 . 1 1 20 ARG HH21 H -10.476 0.983 -8.898 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HH21 . . . . . . . . . rr_1k18 1 . 1 . 334 . 1 1 20 ARG HH22 H -8.873 1.149 -9.810 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HH22 . . . . . . . . . rr_1k18 1 . 1 . 335 . 1 1 20 ARG N N -8.539 4.967 -1.984 . . . 1.0 . . . . . . . . . . . . A . 20 ARG N . . . . . . . . . rr_1k18 1 . 1 . 336 . 1 1 20 ARG NE N -9.859 1.949 -6.923 . . . 1.0 . . . . . . . . . . . . A . 20 ARG NE . . . . . . . . . rr_1k18 1 . 1 . 337 . 1 1 20 ARG NH1 N -7.796 2.216 -7.964 . . . 1.0 . . . . . . . . . . . . A . 20 ARG NH1 . . . . . . . . . rr_1k18 1 . 1 . 338 . 1 1 20 ARG NH2 N -9.499 1.259 -9.014 . . . 1.0 . . . . . . . . . . . . A . 20 ARG NH2 . . . . . . . . . rr_1k18 1 . 1 . 339 . 1 1 20 ARG O O -7.095 6.179 -4.515 . . . 1.0 . . . . . . . . . . . . A . 20 ARG O . . . . . . . . . rr_1k18 1 . 1 . 340 . 1 1 21 THR C C -4.185 6.197 -3.268 . . . 1.0 . . . . . . . . . . . . A . 21 THR C . . . . . . . . . rr_1k18 1 . 1 . 341 . 1 1 21 THR CA C -4.605 4.879 -4.022 . . . 1.0 . . . . . . . . . . . . A . 21 THR CA . . . . . . . . . rr_1k18 1 . 1 . 342 . 1 1 21 THR CB C -4.270 4.848 -5.550 . . . 1.0 . . . . . . . . . . . . A . 21 THR CB . . . . . . . . . rr_1k18 1 . 1 . 343 . 1 1 21 THR CG2 C -4.499 3.484 -6.223 . . . 1.0 . . . . . . . . . . . . A . 21 THR CG2 . . . . . . . . . rr_1k18 1 . 1 . 344 . 1 1 21 THR H H -6.159 3.352 -3.796 . . . 1.0 . . . . . . . . . . . . A . 21 THR H . . . . . . . . . rr_1k18 1 . 1 . 345 . 1 1 21 THR HA H -3.936 4.135 -3.559 . . . 1.0 . . . . . . . . . . . . A . 21 THR HA . . . . . . . . . rr_1k18 1 . 1 . 346 . 1 1 21 THR HB H -3.198 5.099 -5.673 . . . 1.0 . . . . . . . . . . . . A . 21 THR HB . . . . . . . . . rr_1k18 1 . 1 . 347 . 1 1 21 THR HG1 H -5.795 6.029 -5.707 . . . 1.0 . . . . . . . . . . . . A . 21 THR HG1 . . . . . . . . . rr_1k18 1 . 1 . 348 . 1 1 21 THR HG21 H -5.568 3.204 -6.227 . . . 1.0 . . . . . . . . . . . . A . 21 THR HG21 . . . . . . . . . rr_1k18 1 . 1 . 349 . 1 1 21 THR HG22 H -4.155 3.488 -7.270 . . . 1.0 . . . . . . . . . . . . A . 21 THR HG22 . . . . . . . . . rr_1k18 1 . 1 . 350 . 1 1 21 THR HG23 H -3.958 2.676 -5.693 . . . 1.0 . . . . . . . . . . . . A . 21 THR HG23 . . . . . . . . . rr_1k18 1 . 1 . 351 . 1 1 21 THR N N -5.991 4.364 -3.775 . . . 1.0 . . . . . . . . . . . . A . 21 THR N . . . . . . . . . rr_1k18 1 . 1 . 352 . 1 1 21 THR O O -3.569 7.096 -3.844 . . . 1.0 . . . . . . . . . . . . A . 21 THR O . . . . . . . . . rr_1k18 1 . 1 . 353 . 1 1 21 THR OG1 O -5.037 5.810 -6.269 . . . 1.0 . . . . . . . . . . . . A . 21 THR OG1 . . . . . . . . . rr_1k18 1 . 1 . 354 . 1 1 22 GLY C C -3.374 7.091 0.271 . . . 1.0 . . . . . . . . . . . . A . 22 GLY C . . . . . . . . . rr_1k18 1 . 1 . 355 . 1 1 22 GLY CA C -4.014 7.431 -1.105 . . . 1.0 . . . . . . . . . . . . A . 22 GLY CA . . . . . . . . . rr_1k18 1 . 1 . 356 . 1 1 22 GLY H H -5.118 5.575 -1.606 . . . 1.0 . . . . . . . . . . . . A . 22 GLY H . . . . . . . . . rr_1k18 1 . 1 . 357 . 1 1 22 GLY HA2 H -3.319 8.110 -1.636 . . . 1.0 . . . . . . . . . . . . A . 22 GLY HA2 . . . . . . . . . rr_1k18 1 . 1 . 358 . 1 1 22 GLY HA3 H -4.900 8.065 -0.916 . . . 1.0 . . . . . . . . . . . . A . 22 GLY HA3 . . . . . . . . . rr_1k18 1 . 1 . 359 . 1 1 22 GLY N N -4.438 6.271 -1.943 . . . 1.0 . . . . . . . . . . . . A . 22 GLY N . . . . . . . . . rr_1k18 1 . 1 . 360 . 1 1 22 GLY O O -4.030 7.388 1.273 . . . 1.0 . . . . . . . . . . . . A . 22 GLY O . . . . . . . . . rr_1k18 1 . 1 . 361 . 1 1 23 PRO C C -0.951 4.671 -0.928 . . . 1.0 . . . . . . . . . . . . A . 23 PRO C . . . . . . . . . rr_1k18 1 . 1 . 362 . 1 1 23 PRO CA C -1.217 6.212 -0.728 . . . 1.0 . . . . . . . . . . . . A . 23 PRO CA . . . . . . . . . rr_1k18 1 . 1 . 363 . 1 1 23 PRO CB C 0.007 7.054 -0.284 . . . 1.0 . . . . . . . . . . . . A . 23 PRO CB . . . . . . . . . rr_1k18 1 . 1 . 364 . 1 1 23 PRO CD C -1.376 6.613 1.680 . . . 1.0 . . . . . . . . . . . . A . 23 PRO CD . . . . . . . . . rr_1k18 1 . 1 . 365 . 1 1 23 PRO CG C -0.073 7.271 1.235 . . . 1.0 . . . . . . . . . . . . A . 23 PRO CG . . . . . . . . . rr_1k18 1 . 1 . 366 . 1 1 23 PRO HA H -1.569 6.608 -1.696 . . . 1.0 . . . . . . . . . . . . A . 23 PRO HA . . . . . . . . . rr_1k18 1 . 1 . 367 . 1 1 23 PRO HB2 H 0.965 6.589 -0.566 . . . 1.0 . . . . . . . . . . . . A . 23 PRO HB2 . . . . . . . . . rr_1k18 1 . 1 . 368 . 1 1 23 PRO HB3 H -0.005 8.032 -0.805 . . . 1.0 . . . . . . . . . . . . A . 23 PRO HB3 . . . . . . . . . rr_1k18 1 . 1 . 369 . 1 1 23 PRO HD2 H -1.173 5.597 2.077 . . . 1.0 . . . . . . . . . . . . A . 23 PRO HD2 . . . . . . . . . rr_1k18 1 . 1 . 370 . 1 1 23 PRO HD3 H -1.881 7.187 2.484 . . . 1.0 . . . . . . . . . . . . A . 23 PRO HD3 . . . . . . . . . rr_1k18 1 . 1 . 371 . 1 1 23 PRO HG2 H 0.797 6.841 1.766 . . . 1.0 . . . . . . . . . . . . A . 23 PRO HG2 . . . . . . . . . rr_1k18 1 . 1 . 372 . 1 1 23 PRO HG3 H -0.086 8.353 1.470 . . . 1.0 . . . . . . . . . . . . A . 23 PRO HG3 . . . . . . . . . rr_1k18 1 . 1 . 373 . 1 1 23 PRO N N -2.126 6.543 0.407 . . . 1.0 . . . . . . . . . . . . A . 23 PRO N . . . . . . . . . rr_1k18 1 . 1 . 374 . 1 1 23 PRO O O 0.156 4.186 -0.673 . . . 1.0 . . . . . . . . . . . . A . 23 PRO O . . . . . . . . . rr_1k18 1 . 1 . 375 . 1 1 24 LEU C C -2.144 1.572 -2.562 . . . 1.0 . . . . . . . . . . . . A . 24 LEU C . . . . . . . . . rr_1k18 1 . 1 . 376 . 1 1 24 LEU CA C -1.915 2.381 -1.226 . . . 1.0 . . . . . . . . . . . . A . 24 LEU CA . . . . . . . . . rr_1k18 1 . 1 . 377 . 1 1 24 LEU CB C -2.855 1.948 -0.034 . . . 1.0 . . . . . . . . . . . . A . 24 LEU CB . . . . . . . . . rr_1k18 1 . 1 . 378 . 1 1 24 LEU CD1 C -3.685 2.313 2.396 . . . 1.0 . . . . . . . . . . . . A . 24 LEU CD1 . . . . . . . . . rr_1k18 1 . 1 . 379 . 1 1 24 LEU CD2 C -1.256 2.425 1.964 . . . 1.0 . . . . . . . . . . . . A . 24 LEU CD2 . . . . . . . . . rr_1k18 1 . 1 . 380 . 1 1 24 LEU CG C -2.639 2.676 1.336 . . . 1.0 . . . . . . . . . . . . A . 24 LEU CG . . . . . . . . . rr_1k18 1 . 1 . 381 . 1 1 24 LEU H H -2.847 4.380 -1.390 . . . 1.0 . . . . . . . . . . . . A . 24 LEU H . . . . . . . . . rr_1k18 1 . 1 . 382 . 1 1 24 LEU HA H -0.895 2.096 -0.952 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HA . . . . . . . . . rr_1k18 1 . 1 . 383 . 1 1 24 LEU HB2 H -3.919 2.003 -0.343 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HB2 . . . . . . . . . rr_1k18 1 . 1 . 384 . 1 1 24 LEU HB3 H -2.787 0.861 0.143 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HB3 . . . . . . . . . rr_1k18 1 . 1 . 385 . 1 1 24 LEU HD11 H -3.708 3.051 3.218 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD11 . . . . . . . . . rr_1k18 1 . 1 . 386 . 1 1 24 LEU HD12 H -4.710 2.263 1.985 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD12 . . . . . . . . . rr_1k18 1 . 1 . 387 . 1 1 24 LEU HD13 H -3.482 1.335 2.863 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD13 . . . . . . . . . rr_1k18 1 . 1 . 388 . 1 1 24 LEU HD21 H -1.147 1.376 2.286 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD21 . . . . . . . . . rr_1k18 1 . 1 . 389 . 1 1 24 LEU HD22 H -0.427 2.652 1.273 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD22 . . . . . . . . . rr_1k18 1 . 1 . 390 . 1 1 24 LEU HD23 H -1.100 3.055 2.860 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD23 . . . . . . . . . rr_1k18 1 . 1 . 391 . 1 1 24 LEU HG H -2.749 3.764 1.161 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HG . . . . . . . . . rr_1k18 1 . 1 . 392 . 1 1 24 LEU N N -1.952 3.880 -1.378 . . . 1.0 . . . . . . . . . . . . A . 24 LEU N . . . . . . . . . rr_1k18 1 . 1 . 393 . 1 1 24 LEU O O -3.086 1.847 -3.293 . . . 1.0 . . . . . . . . . . . . A . 24 LEU O . . . . . . . . . rr_1k18 1 . 1 . 394 . 1 1 25 CYS C C 0.782 0.065 -4.374 . . . 1.0 . . . . . . . . . . . . A . 25 CYS C . . . . . . . . . rr_1k18 1 . 1 . 395 . 1 1 25 CYS CA C 0.089 0.607 -3.045 . . . 1.0 . . . . . . . . . . . . A . 25 CYS CA . . . . . . . . . rr_1k18 1 . 1 . 396 . 1 1 25 CYS CB C 0.679 0.048 -1.784 . . . 1.0 . . . . . . . . . . . . A . 25 CYS CB . . . . . . . . . rr_1k18 1 . 1 . 397 . 1 1 25 CYS H H -1.375 -0.076 -2.087 . . . 1.0 . . . . . . . . . . . . A . 25 CYS H . . . . . . . . . rr_1k18 1 . 1 . 398 . 1 1 25 CYS HA H 0.369 1.552 -2.749 . . . 1.0 . . . . . . . . . . . . A . 25 CYS HA . . . . . . . . . rr_1k18 1 . 1 . 399 . 1 1 25 CYS HB2 H 0.084 0.256 -0.890 . . . 1.0 . . . . . . . . . . . . A . 25 CYS HB2 . . . . . . . . . rr_1k18 1 . 1 . 400 . 1 1 25 CYS HB3 H 0.738 -0.984 -1.963 . . . 1.0 . . . . . . . . . . . . A . 25 CYS HB3 . . . . . . . . . rr_1k18 1 . 1 . 401 . 1 1 25 CYS HG H 2.051 1.181 -0.281 . . . 1.0 . . . . . . . . . . . . A . 25 CYS HG . . . . . . . . . rr_1k18 1 . 1 . 402 . 1 1 25 CYS N N -1.374 0.511 -2.911 . . . 1.0 . . . . . . . . . . . . A . 25 CYS N . . . . . . . . . rr_1k18 1 . 1 . 403 . 1 1 25 CYS O O 1.156 -1.114 -4.379 . . . 1.0 . . . . . . . . . . . . A . 25 CYS O . . . . . . . . . rr_1k18 1 . 1 . 404 . 1 1 25 CYS SG S 2.337 0.602 -1.447 . . . 1.0 . . . . . . . . . . . . A . 25 CYS SG . . . . . . . . . rr_1k18 1 . 1 . 405 . 1 1 26 PRO C C -0.234 3.026 -5.122 . . . 1.0 . . . . . . . . . . . . A . 26 PRO C . . . . . . . . . rr_1k18 1 . 1 . 406 . 1 1 26 PRO CA C 1.045 2.278 -5.594 . . . 1.0 . . . . . . . . . . . . A . 26 PRO CA . . . . . . . . . rr_1k18 1 . 1 . 407 . 1 1 26 PRO CB C 1.448 2.594 -7.042 . . . 1.0 . . . . . . . . . . . . A . 26 PRO CB . . . . . . . . . rr_1k18 1 . 1 . 408 . 1 1 26 PRO CD C 1.568 0.178 -6.730 . . . 1.0 . . . . . . . . . . . . A . 26 PRO CD . . . . . . . . . rr_1k18 1 . 1 . 409 . 1 1 26 PRO CG C 1.327 1.267 -7.766 . . . 1.0 . . . . . . . . . . . . A . 26 PRO CG . . . . . . . . . rr_1k18 1 . 1 . 410 . 1 1 26 PRO HA H 1.908 2.610 -5.016 . . . 1.0 . . . . . . . . . . . . A . 26 PRO HA . . . . . . . . . rr_1k18 1 . 1 . 411 . 1 1 26 PRO HB2 H 0.825 3.376 -7.519 . . . 1.0 . . . . . . . . . . . . A . 26 PRO HB2 . . . . . . . . . rr_1k18 1 . 1 . 412 . 1 1 26 PRO HB3 H 2.493 2.959 -7.086 . . . 1.0 . . . . . . . . . . . . A . 26 PRO HB3 . . . . . . . . . rr_1k18 1 . 1 . 413 . 1 1 26 PRO HD2 H 1.043 -0.763 -6.993 . . . 1.0 . . . . . . . . . . . . A . 26 PRO HD2 . . . . . . . . . rr_1k18 1 . 1 . 414 . 1 1 26 PRO HD3 H 2.644 -0.056 -6.615 . . . 1.0 . . . . . . . . . . . . A . 26 PRO HD3 . . . . . . . . . rr_1k18 1 . 1 . 415 . 1 1 26 PRO HG2 H 0.292 1.183 -8.139 . . . 1.0 . . . . . . . . . . . . A . 26 PRO HG2 . . . . . . . . . rr_1k18 1 . 1 . 416 . 1 1 26 PRO HG3 H 2.037 1.209 -8.603 . . . 1.0 . . . . . . . . . . . . A . 26 PRO HG3 . . . . . . . . . rr_1k18 1 . 1 . 417 . 1 1 26 PRO N N 1.035 0.797 -5.505 . . . 1.0 . . . . . . . . . . . . A . 26 PRO N . . . . . . . . . rr_1k18 1 . 1 . 418 . 1 1 26 PRO O O -1.360 2.684 -5.462 . . . 1.0 . . . . . . . . . . . . A . 26 PRO O . . . . . . . . . rr_1k18 1 . 1 . 419 . 1 1 27 ALA C C 1.709 5.565 -3.267 . . . 1.0 . . . . . . . . . . . . A . 27 ALA C . . . . . . . . . rr_1k18 1 . 1 . 420 . 1 1 27 ALA CA C 0.702 5.179 -4.401 . . . 1.0 . . . . . . . . . . . . A . 27 ALA CA . . . . . . . . . rr_1k18 1 . 1 . 421 . 1 1 27 ALA CB C -0.361 6.255 -4.701 . . . 1.0 . . . . . . . . . . . . A . 27 ALA CB . . . . . . . . . rr_1k18 1 . 1 . 422 . 1 1 27 ALA H H -0.721 3.765 -3.367 . . . 1.0 . . . . . . . . . . . . A . 27 ALA H . . . . . . . . . rr_1k18 1 . 1 . 423 . 1 1 27 ALA HA H 1.329 5.090 -5.312 . . . 1.0 . . . . . . . . . . . . A . 27 ALA HA . . . . . . . . . rr_1k18 1 . 1 . 424 . 1 1 27 ALA HB1 H -0.984 5.993 -5.576 . . . 1.0 . . . . . . . . . . . . A . 27 ALA HB1 . . . . . . . . . rr_1k18 1 . 1 . 425 . 1 1 27 ALA HB2 H -1.050 6.404 -3.851 . . . 1.0 . . . . . . . . . . . . A . 27 ALA HB2 . . . . . . . . . rr_1k18 1 . 1 . 426 . 1 1 27 ALA HB3 H 0.102 7.233 -4.914 . . . 1.0 . . . . . . . . . . . . A . 27 ALA HB3 . . . . . . . . . rr_1k18 1 . 1 . 427 . 1 1 27 ALA N N -0.111 3.949 -4.178 . . . 1.0 . . . . . . . . . . . . A . 27 ALA N . . . . . . . . . rr_1k18 1 . 1 . 428 . 1 1 27 ALA O O 1.796 6.733 -2.878 . . . 1.0 . . . . . . . . . . . . A . 27 ALA O . . . . . . . . . rr_1k18 1 . 1 . 429 . 1 1 28 CYS C C 4.432 5.938 -1.588 . . . 1.0 . . . . . . . . . . . . A . 28 CYS C . . . . . . . . . rr_1k18 1 . 1 . 430 . 1 1 28 CYS CA C 3.338 4.814 -1.545 . . . 1.0 . . . . . . . . . . . . A . 28 CYS CA . . . . . . . . . rr_1k18 1 . 1 . 431 . 1 1 28 CYS CB C 3.936 3.437 -1.195 . . . 1.0 . . . . . . . . . . . . A . 28 CYS CB . . . . . . . . . rr_1k18 1 . 1 . 432 . 1 1 28 CYS H H 2.144 3.664 -2.992 . . . 1.0 . . . . . . . . . . . . A . 28 CYS H . . . . . . . . . rr_1k18 1 . 1 . 433 . 1 1 28 CYS HA H 2.650 5.051 -0.709 . . . 1.0 . . . . . . . . . . . . A . 28 CYS HA . . . . . . . . . rr_1k18 1 . 1 . 434 . 1 1 28 CYS HB2 H 4.386 3.416 -0.187 . . . 1.0 . . . . . . . . . . . . A . 28 CYS HB2 . . . . . . . . . rr_1k18 1 . 1 . 435 . 1 1 28 CYS HB3 H 3.118 2.718 -1.114 . . . 1.0 . . . . . . . . . . . . A . 28 CYS HB3 . . . . . . . . . rr_1k18 1 . 1 . 436 . 1 1 28 CYS HG H 6.237 3.481 -1.941 . . . 1.0 . . . . . . . . . . . . A . 28 CYS HG . . . . . . . . . rr_1k18 1 . 1 . 437 . 1 1 28 CYS N N 2.502 4.602 -2.761 . . . 1.0 . . . . . . . . . . . . A . 28 CYS N . . . . . . . . . rr_1k18 1 . 1 . 438 . 1 1 28 CYS O O 5.496 5.790 -2.195 . . . 1.0 . . . . . . . . . . . . A . 28 CYS O . . . . . . . . . rr_1k18 1 . 1 . 439 . 1 1 28 CYS SG S 5.166 2.858 -2.429 . . . 1.0 . . . . . . . . . . . . A . 28 CYS SG . . . . . . . . . rr_1k18 1 . 1 . 440 . 1 1 29 MET C C 6.119 7.633 0.743 . . . 1.0 . . . . . . . . . . . . A . 29 MET C . . . . . . . . . rr_1k18 1 . 1 . 441 . 1 1 29 MET CA C 5.276 8.029 -0.527 . . . 1.0 . . . . . . . . . . . . A . 29 MET CA . . . . . . . . . rr_1k18 1 . 1 . 442 . 1 1 29 MET CB C 4.612 9.433 -0.437 . . . 1.0 . . . . . . . . . . . . A . 29 MET CB . . . . . . . . . rr_1k18 1 . 1 . 443 . 1 1 29 MET CE C 4.744 12.688 -1.670 . . . 1.0 . . . . . . . . . . . . A . 29 MET CE . . . . . . . . . rr_1k18 1 . 1 . 444 . 1 1 29 MET CG C 4.048 10.002 -1.760 . . . 1.0 . . . . . . . . . . . . A . 29 MET CG . . . . . . . . . rr_1k18 1 . 1 . 445 . 1 1 29 MET H H 3.220 7.199 -0.624 . . . 1.0 . . . . . . . . . . . . A . 29 MET H . . . . . . . . . rr_1k18 1 . 1 . 446 . 1 1 29 MET HA H 6.011 8.070 -1.356 . . . 1.0 . . . . . . . . . . . . A . 29 MET HA . . . . . . . . . rr_1k18 1 . 1 . 447 . 1 1 29 MET HB2 H 3.820 9.427 0.337 . . . 1.0 . . . . . . . . . . . . A . 29 MET HB2 . . . . . . . . . rr_1k18 1 . 1 . 448 . 1 1 29 MET HB3 H 5.360 10.153 -0.053 . . . 1.0 . . . . . . . . . . . . A . 29 MET HB3 . . . . . . . . . rr_1k18 1 . 1 . 449 . 1 1 29 MET HE1 H 4.460 13.747 -1.538 . . . 1.0 . . . . . . . . . . . . A . 29 MET HE1 . . . . . . . . . rr_1k18 1 . 1 . 450 . 1 1 29 MET HE2 H 5.515 12.444 -0.917 . . . 1.0 . . . . . . . . . . . . A . 29 MET HE2 . . . . . . . . . rr_1k18 1 . 1 . 451 . 1 1 29 MET HE3 H 5.191 12.575 -2.674 . . . 1.0 . . . . . . . . . . . . A . 29 MET HE3 . . . . . . . . . rr_1k18 1 . 1 . 452 . 1 1 29 MET HG2 H 4.830 10.071 -2.539 . . . 1.0 . . . . . . . . . . . . A . 29 MET HG2 . . . . . . . . . rr_1k18 1 . 1 . 453 . 1 1 29 MET HG3 H 3.268 9.333 -2.173 . . . 1.0 . . . . . . . . . . . . A . 29 MET HG3 . . . . . . . . . rr_1k18 1 . 1 . 454 . 1 1 29 MET N N 4.206 7.030 -0.840 . . . 1.0 . . . . . . . . . . . . A . 29 MET N . . . . . . . . . rr_1k18 1 . 1 . 455 . 1 1 29 MET O O 6.193 8.359 1.738 . . . 1.0 . . . . . . . . . . . . A . 29 MET O . . . . . . . . . rr_1k18 1 . 1 . 456 . 1 1 29 MET SD S 3.303 11.624 -1.487 . . . 1.0 . . . . . . . . . . . . A . 29 MET SD . . . . . . . . . rr_1k18 1 . 1 . 457 . 1 1 30 LYS C C 8.859 5.200 1.130 . . . 1.0 . . . . . . . . . . . . A . 30 LYS C . . . . . . . . . rr_1k18 1 . 1 . 458 . 1 1 30 LYS CA C 7.605 5.895 1.760 . . . 1.0 . . . . . . . . . . . . A . 30 LYS CA . . . . . . . . . rr_1k18 1 . 1 . 459 . 1 1 30 LYS CB C 6.837 4.886 2.673 . . . 1.0 . . . . . . . . . . . . A . 30 LYS CB . . . . . . . . . rr_1k18 1 . 1 . 460 . 1 1 30 LYS CD C 4.262 4.820 2.422 . . . 1.0 . . . . . . . . . . . . A . 30 LYS CD . . . . . . . . . rr_1k18 1 . 1 . 461 . 1 1 30 LYS CE C 2.866 4.946 3.067 . . . 1.0 . . . . . . . . . . . . A . 30 LYS CE . . . . . . . . . rr_1k18 1 . 1 . 462 . 1 1 30 LYS CG C 5.464 5.266 3.291 . . . 1.0 . . . . . . . . . . . . A . 30 LYS CG . . . . . . . . . rr_1k18 1 . 1 . 463 . 1 1 30 LYS H H 6.587 5.931 -0.163 . . . 1.0 . . . . . . . . . . . . A . 30 LYS H . . . . . . . . . rr_1k18 1 . 1 . 464 . 1 1 30 LYS HA H 7.939 6.737 2.369 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HA . . . . . . . . . rr_1k18 1 . 1 . 465 . 1 1 30 LYS HB2 H 6.739 3.912 2.154 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HB2 . . . . . . . . . rr_1k18 1 . 1 . 466 . 1 1 30 LYS HB3 H 7.521 4.666 3.513 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HB3 . . . . . . . . . rr_1k18 1 . 1 . 467 . 1 1 30 LYS HD2 H 4.273 5.414 1.490 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HD2 . . . . . . . . . rr_1k18 1 . 1 . 468 . 1 1 30 LYS HD3 H 4.410 3.778 2.089 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HD3 . . . . . . . . . rr_1k18 1 . 1 . 469 . 1 1 30 LYS HE2 H 2.673 5.991 3.383 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HE2 . . . . . . . . . rr_1k18 1 . 1 . 470 . 1 1 30 LYS HE3 H 2.083 4.724 2.311 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HE3 . . . . . . . . . rr_1k18 1 . 1 . 471 . 1 1 30 LYS HG2 H 5.379 4.780 4.282 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HG2 . . . . . . . . . rr_1k18 1 . 1 . 472 . 1 1 30 LYS HG3 H 5.411 6.352 3.503 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HG3 . . . . . . . . . rr_1k18 1 . 1 . 473 . 1 1 30 LYS HZ1 H 2.955 3.054 3.995 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HZ1 . . . . . . . . . rr_1k18 1 . 1 . 474 . 1 1 30 LYS HZ2 H 1.749 4.005 4.580 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HZ2 . . . . . . . . . rr_1k18 1 . 1 . 475 . 1 1 30 LYS N N 6.775 6.461 0.679 . . . 1.0 . . . . . . . . . . . . A . 30 LYS N . . . . . . . . . rr_1k18 1 . 1 . 476 . 1 1 30 LYS NZ N 2.711 4.029 4.220 . . . 1.0 . . . . . . . . . . . . A . 30 LYS NZ . . . . . . . . . rr_1k18 1 . 1 . 477 . 1 1 30 LYS O O 8.723 4.143 0.511 . . . 1.0 . . . . . . . . . . . . A . 30 LYS O . . . . . . . . . rr_1k18 1 . 1 . 478 . 1 1 31 ALA C C 11.373 5.069 -0.843 . . . 1.0 . . . . . . . . . . . . A . 31 ALA C . . . . . . . . . rr_1k18 1 . 1 . 479 . 1 1 31 ALA CA C 11.341 5.216 0.715 . . . 1.0 . . . . . . . . . . . . A . 31 ALA CA . . . . . . . . . rr_1k18 1 . 1 . 480 . 1 1 31 ALA CB C 11.767 3.953 1.501 . . . 1.0 . . . . . . . . . . . . A . 31 ALA CB . . . . . . . . . rr_1k18 1 . 1 . 481 . 1 1 31 ALA H H 10.044 6.676 1.764 . . . 1.0 . . . . . . . . . . . . A . 31 ALA H . . . . . . . . . rr_1k18 1 . 1 . 482 . 1 1 31 ALA HA H 12.123 5.973 0.918 . . . 1.0 . . . . . . . . . . . . A . 31 ALA HA . . . . . . . . . rr_1k18 1 . 1 . 483 . 1 1 31 ALA HB1 H 12.735 3.547 1.162 . . . 1.0 . . . . . . . . . . . . A . 31 ALA HB1 . . . . . . . . . rr_1k18 1 . 1 . 484 . 1 1 31 ALA HB2 H 11.870 4.155 2.584 . . . 1.0 . . . . . . . . . . . . A . 31 ALA HB2 . . . . . . . . . rr_1k18 1 . 1 . 485 . 1 1 31 ALA HB3 H 11.028 3.133 1.397 . . . 1.0 . . . . . . . . . . . . A . 31 ALA HB3 . . . . . . . . . rr_1k18 1 . 1 . 486 . 1 1 31 ALA N N 10.072 5.770 1.287 . . . 1.0 . . . . . . . . . . . . A . 31 ALA N . . . . . . . . . rr_1k18 1 . 1 . 487 . 1 1 31 ALA O O 11.722 5.971 -1.600 . . . 1.0 . . . . . . . . . . . . A . 31 ALA O . . . . . . . . . rr_1k18 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_1k18 _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 1k18.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1k18 1 1 1k18.mr . . DISCOVER 2 distance NOE simple 188 rr_1k18 1 1 1k18.mr . . DISCOVER 3 distance 'disulfide bond' simple 6 rr_1k18 1 1 1k18.mr . . DISCOVER 4 distance 'hydrogen bond' simple 5 rr_1k18 1 1 1k18.mr . . n/a 5 comment 'Not applicable' 'Not applicable' 0 rr_1k18 1 1 1k18.mr . . DISCOVER 6 'dihedral angle' 'Not applicable' 'Not applicable' 24 rr_1k18 1 1 1k18.mr . . 'MR format' 7 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1k18 1 stop_ save_ save_Discover_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID rr_1k18 _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_1k18 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 ILE HA H . . . 1 1 1 1 ILE H1 H . . . . . . 2.395 2.608 . . . . . A . 1 ILE HA . . A . 1 ILE H1 . 1 . 1 ILEn HA . . . 1 . 1 ILEn HN* . . rr_1k18 1 2 1 . . 1 1 1 1 ILE H1 H . . . 1 1 1 1 ILE HB H . . . . . . 2.450 2.666 . . . . . A . 1 ILE H1 . . A . 1 ILE HB . 1 . 1 ILEn HN* . . . 1 . 1 ILEn HB . . rr_1k18 1 3 1 . . 1 1 1 1 ILE HA H . . . 1 1 1 1 ILE HB H . . . . . . 2.368 2.592 . . . . . A . 1 ILE HA . . A . 1 ILE HB . 1 . 1 ILEn HA . . . 1 . 1 ILEn HB . . rr_1k18 1 4 1 OR . 1 1 1 1 ILE H1 H . . . 1 1 1 1 ILE HG12 H . . . . . . 3.905 4.175 . . . . . A . 1 ILE H1 . . A . 1 ILE HG12 . 1 . 1 ILEn HN* . . . 1 . 1 ILEn HG1* . . rr_1k18 1 4 2 OR . 1 1 1 1 ILE H1 H . . . 1 1 1 1 ILE HG13 H . . . . . . 3.905 4.175 . . . . . A . 1 ILE H1 . . A . 1 ILE HG13 . 1 . 1 ILEn HN* . . . 1 . 1 ILEn HG1* . . rr_1k18 1 5 1 . . 1 1 1 1 ILE HA H . . . 1 1 1 1 ILE MG H . . . . . . 3.419 3.729 . . . . . A . 1 ILE HA . . A . 1 ILE MG . 1 . 1 ILEn HA . . . 1 . 1 ILEn HG2* . . rr_1k18 1 6 1 . . 1 1 1 1 ILE HA H . . . 1 1 1 1 ILE MD H . . . . . . 3.735 4.074 . . . . . A . 1 ILE HA . . A . 1 ILE MD . 1 . 1 ILEn HA . . . 1 . 1 ILEn HD* . . rr_1k18 1 7 1 . . 1 1 3 3 GLU HA H . . . 1 1 3 3 GLU H H . . . . . . 2.613 2.855 . . . . . A . 3 GLU HA . . A . 3 GLU H . 1 . 3 GLU HA . . . 1 . 3 GLU HN . . rr_1k18 1 8 1 OR . 1 1 3 3 GLU HA H . . . 1 1 3 3 GLU HB2 H . . . . . . 2.913 3.165 . . . . . A . 3 GLU HA . . A . 3 GLU HB2 . 1 . 3 GLU HA . . . 1 . 3 GLU HB* . . rr_1k18 1 8 2 OR . 1 1 3 3 GLU HA H . . . 1 1 3 3 GLU HB3 H . . . . . . 2.913 3.165 . . . . . A . 3 GLU HA . . A . 3 GLU HB3 . 1 . 3 GLU HA . . . 1 . 3 GLU HB* . . rr_1k18 1 9 1 . . 1 1 4 4 GLU H H . . . 1 1 2 2 CYS HA H . . . . . . 3.945 4.796 . . . . . A . 4 GLU H . . A . 2 CYS HA . 1 . 4 GLU HN . . . 1 . 2 CYSH HA . . rr_1k18 1 10 1 . . 1 1 3 3 GLU HA H . . . 1 1 4 4 GLU H H . . . . . . 3.155 3.507 . . . . . A . 3 GLU HA . . A . 4 GLU H . 1 . 3 GLU HA . . . 1 . 4 GLU HN . . rr_1k18 1 11 1 . . 1 1 4 4 GLU H H . . . 1 1 4 4 GLU HA H . . . . . . 2.750 3.012 . . . . . A . 4 GLU H . . A . 4 GLU HA . 1 . 4 GLU HN . . . 1 . 4 GLU HA . . rr_1k18 1 12 1 OR . 1 1 3 3 GLU HA H . . . 1 1 4 4 GLU HB2 H . . . . . . 2.967 3.184 . . . . . A . 3 GLU HA . . A . 4 GLU HB2 . 1 . 3 GLU HA . . . 1 . 4 GLU HB* . . rr_1k18 1 12 2 OR . 1 1 3 3 GLU HA H . . . 1 1 4 4 GLU HB3 H . . . . . . 2.967 3.184 . . . . . A . 3 GLU HA . . A . 4 GLU HB3 . 1 . 3 GLU HA . . . 1 . 4 GLU HB* . . rr_1k18 1 13 1 OR . 1 1 4 4 GLU HA H . . . 1 1 4 4 GLU HB2 H . . . . . . 2.284 2.497 . . . . . A . 4 GLU HA . . A . 4 GLU HB2 . 1 . 4 GLU HA . . . 1 . 4 GLU HB* . . rr_1k18 1 13 2 OR . 1 1 4 4 GLU HA H . . . 1 1 4 4 GLU HB3 H . . . . . . 2.284 2.497 . . . . . A . 4 GLU HA . . A . 4 GLU HB3 . 1 . 4 GLU HA . . . 1 . 4 GLU HB* . . rr_1k18 1 14 1 OR . 1 1 5 5 PRO HA H . . . 1 1 5 5 PRO HB2 H . . . . . . 2.260 2.470 . . . . . A . 5 PRO HA . . A . 5 PRO HB2 . 1 . 5 PRO HA . . . 1 . 5 PRO HB* . . rr_1k18 1 14 2 OR . 1 1 5 5 PRO HB3 H . . . 1 1 5 5 PRO HA H . . . . . . 2.260 2.470 . . . . . A . 5 PRO HB3 . . A . 5 PRO HA . 1 . 5 PRO HB* . . . 1 . 5 PRO HA . . rr_1k18 1 15 1 OR . 1 1 5 5 PRO HA H . . . 1 1 5 5 PRO HG2 H . . . . . . 3.639 3.997 . . . . . A . 5 PRO HA . . A . 5 PRO HG2 . 1 . 5 PRO HA . . . 1 . 5 PRO HG* . . rr_1k18 1 15 2 OR . 1 1 5 5 PRO HA H . . . 1 1 5 5 PRO HG3 H . . . . . . 3.639 3.997 . . . . . A . 5 PRO HA . . A . 5 PRO HG3 . 1 . 5 PRO HA . . . 1 . 5 PRO HG* . . rr_1k18 1 16 1 OR . 1 1 5 5 PRO HD3 H . . . 1 1 5 5 PRO HB2 H . . . . . . 3.706 4.092 . . . . . A . 5 PRO HD3 . . A . 5 PRO HB2 . 1 . 5 PRO HD1 . . . 1 . 5 PRO HB* . . rr_1k18 1 16 2 OR . 1 1 5 5 PRO HB3 H . . . 1 1 5 5 PRO HD3 H . . . . . . 3.706 4.092 . . . . . A . 5 PRO HB3 . . A . 5 PRO HD3 . 1 . 5 PRO HB* . . . 1 . 5 PRO HD1 . . rr_1k18 1 17 1 . . 1 1 2 2 CYS HA H . . . 1 1 6 6 THR H H . . . . . . 2.651 2.900 . . . . . A . 2 CYS HA . . A . 6 THR H . 1 . 2 CYSH HA . . . 1 . 6 THR HN . . rr_1k18 1 18 1 . . 1 1 4 4 GLU HA H . . . 1 1 6 6 THR H H . . . . . . 2.758 3.020 . . . . . A . 4 GLU HA . . A . 6 THR H . 1 . 4 GLU HA . . . 1 . 6 THR HN . . rr_1k18 1 19 1 OR . 1 1 6 6 THR H H . . . 1 1 4 4 GLU HB2 H . . . . . . 3.683 4.164 . . . . . A . 6 THR H . . A . 4 GLU HB2 . 1 . 6 THR HN . . . 1 . 4 GLU HB* . . rr_1k18 1 19 2 OR . 1 1 4 4 GLU HB3 H . . . 1 1 6 6 THR H H . . . . . . 3.683 4.164 . . . . . A . 4 GLU HB3 . . A . 6 THR H . 1 . 4 GLU HB* . . . 1 . 6 THR HN . . rr_1k18 1 20 1 . . 1 1 1 1 ILE MG H . . . 1 1 6 6 THR HA H . . . . . . 5.174 5.833 . . . . . A . 1 ILE MG . . A . 6 THR HA . 1 . 1 ILEn HG2* . . . 1 . 6 THR HA . . rr_1k18 1 21 1 . . 1 1 2 2 CYS HA H . . . 1 1 6 6 THR MG H . . . . . . 4.814 5.534 . . . . . A . 2 CYS HA . . A . 6 THR MG . 1 . 2 CYSH HA . . . 1 . 6 THR HG2* . . rr_1k18 1 22 1 . . 1 1 3 3 GLU H H . . . 1 1 6 6 THR MG H . . . . . . 4.733 5.979 . . . . . A . 3 GLU H . . A . 6 THR MG . 1 . 3 GLU HN . . . 1 . 6 THR HG2* . . rr_1k18 1 23 1 . . 1 1 3 3 GLU HA H . . . 1 1 6 6 THR MG H . . . . . . 4.039 4.544 . . . . . A . 3 GLU HA . . A . 6 THR MG . 1 . 3 GLU HA . . . 1 . 6 THR HG2* . . rr_1k18 1 24 1 . . 1 1 4 4 GLU HA H . . . 1 1 6 6 THR MG H . . . . . . 3.657 3.959 . . . . . A . 4 GLU HA . . A . 6 THR MG . 1 . 4 GLU HA . . . 1 . 6 THR HG2* . . rr_1k18 1 25 1 . . 1 1 5 5 PRO HA H . . . 1 1 6 6 THR MG H . . . . . . 4.437 5.180 . . . . . A . 5 PRO HA . . A . 6 THR MG . 1 . 5 PRO HA . . . 1 . 6 THR HG2* . . rr_1k18 1 26 1 . . 1 1 6 6 THR H H . . . 1 1 6 6 THR MG H . . . . . . 3.240 3.492 . . . . . A . 6 THR H . . A . 6 THR MG . 1 . 6 THR HN . . . 1 . 6 THR HG2* . . rr_1k18 1 27 1 . . 1 1 6 6 THR HA H . . . 1 1 6 6 THR MG H . . . . . . 3.188 3.465 . . . . . A . 6 THR HA . . A . 6 THR MG . 1 . 6 THR HA . . . 1 . 6 THR HG2* . . rr_1k18 1 28 1 . . 1 1 6 6 THR HA H . . . 1 1 7 7 CYS H H . . . . . . 2.429 2.660 . . . . . A . 6 THR HA . . A . 7 CYS H . 1 . 6 THR HA . . . 1 . 7 CYSH HN . . rr_1k18 1 29 1 . . 1 1 7 7 CYS H H . . . 1 1 7 7 CYS HA H . . . . . . 2.146 2.360 . . . . . A . 7 CYS H . . A . 7 CYS HA . 1 . 7 CYSH HN . . . 1 . 7 CYSH HA . . rr_1k18 1 30 1 . . 1 1 7 7 CYS HA H . . . 1 1 7 7 CYS HB3 H . . . . . . 2.510 2.752 . . . . . A . 7 CYS HA . . A . 7 CYS HB3 . 1 . 7 CYSH HA . . . 1 . 7 CYSH HB1 . . rr_1k18 1 31 1 . . 1 1 6 6 THR HA H . . . 1 1 7 7 CYS HB2 H . . . . . . 2.336 2.560 . . . . . A . 6 THR HA . . A . 7 CYS HB2 . 1 . 6 THR HA . . . 1 . 7 CYSH HB2 . . rr_1k18 1 32 1 . . 1 1 5 5 PRO HA H . . . 1 1 8 8 ARG H H . . . . . . 4.642 5.045 . . . . . A . 5 PRO HA . . A . 8 ARG H . 1 . 5 PRO HA . . . 1 . 8 ARG HN . . rr_1k18 1 33 1 . . 1 1 7 7 CYS HA H . . . 1 1 8 8 ARG H H . . . . . . 2.688 2.960 . . . . . A . 7 CYS HA . . A . 8 ARG H . 1 . 7 CYSH HA . . . 1 . 8 ARG HN . . rr_1k18 1 34 1 OR . 1 1 8 8 ARG HA H . . . 1 1 5 5 PRO HB2 H . . . . . . 2.919 3.144 . . . . . A . 8 ARG HA . . A . 5 PRO HB2 . 1 . 8 ARG HA . . . 1 . 5 PRO HB* . . rr_1k18 1 34 2 OR . 1 1 5 5 PRO HB3 H . . . 1 1 8 8 ARG HA H . . . . . . 2.919 3.144 . . . . . A . 5 PRO HB3 . . A . 8 ARG HA . 1 . 5 PRO HB* . . . 1 . 8 ARG HA . . rr_1k18 1 35 1 . . 1 1 8 8 ARG H H . . . 1 1 8 8 ARG HA H . . . . . . 2.068 2.280 . . . . . A . 8 ARG H . . A . 8 ARG HA . 1 . 8 ARG HN . . . 1 . 8 ARG HA . . rr_1k18 1 36 1 . . 1 1 5 5 PRO HD3 H . . . 1 1 8 8 ARG HB3 H . . . . . . 2.485 2.730 . . . . . A . 5 PRO HD3 . . A . 8 ARG HB3 . 1 . 5 PRO HD1 . . . 1 . 8 ARG HB1 . . rr_1k18 1 37 1 . . 1 1 8 8 ARG HB3 H . . . 1 1 5 5 PRO HD2 H . . . . . . 3.691 4.120 . . . . . A . 8 ARG HB3 . . A . 5 PRO HD2 . 1 . 8 ARG HB1 . . . 1 . 5 PRO HD2 . . rr_1k18 1 38 1 . . 1 1 8 8 ARG H H . . . 1 1 8 8 ARG HB3 H . . . . . . 3.410 3.731 . . . . . A . 8 ARG H . . A . 8 ARG HB3 . 1 . 8 ARG HN . . . 1 . 8 ARG HB1 . . rr_1k18 1 39 1 . . 1 1 8 8 ARG HA H . . . 1 1 8 8 ARG HB3 H . . . . . . 2.514 2.750 . . . . . A . 8 ARG HA . . A . 8 ARG HB3 . 1 . 8 ARG HA . . . 1 . 8 ARG HB1 . . rr_1k18 1 40 1 OR . 1 1 8 8 ARG HB2 H . . . 1 1 5 5 PRO HB2 H . . . . . . 2.901 3.120 . . . . . A . 8 ARG HB2 . . A . 5 PRO HB2 . 1 . 8 ARG HB2 . . . 1 . 5 PRO HB* . . rr_1k18 1 40 2 OR . 1 1 5 5 PRO HB3 H . . . 1 1 8 8 ARG HB2 H . . . . . . 2.901 3.120 . . . . . A . 5 PRO HB3 . . A . 8 ARG HB2 . 1 . 5 PRO HB* . . . 1 . 8 ARG HB2 . . rr_1k18 1 41 1 . . 1 1 8 8 ARG HA H . . . 1 1 8 8 ARG HB2 H . . . . . . 2.296 2.518 . . . . . A . 8 ARG HA . . A . 8 ARG HB2 . 1 . 8 ARG HA . . . 1 . 8 ARG HB2 . . rr_1k18 1 42 1 OR . 1 1 8 8 ARG HB3 H . . . 1 1 8 8 ARG HD2 H . . . . . . 2.761 2.996 . . . . . A . 8 ARG HB3 . . A . 8 ARG HD2 . 1 . 8 ARG HB1 . . . 1 . 8 ARG HD* . . rr_1k18 1 42 2 OR . 1 1 8 8 ARG HB3 H . . . 1 1 8 8 ARG HD3 H . . . . . . 2.761 2.996 . . . . . A . 8 ARG HB3 . . A . 8 ARG HD3 . 1 . 8 ARG HB1 . . . 1 . 8 ARG HD* . . rr_1k18 1 43 1 OR . 1 1 8 8 ARG HB2 H . . . 1 1 8 8 ARG HD2 H . . . . . . 3.156 3.400 . . . . . A . 8 ARG HB2 . . A . 8 ARG HD2 . 1 . 8 ARG HB2 . . . 1 . 8 ARG HD* . . rr_1k18 1 43 2 OR . 1 1 8 8 ARG HB2 H . . . 1 1 8 8 ARG HD3 H . . . . . . 3.156 3.400 . . . . . A . 8 ARG HB2 . . A . 8 ARG HD3 . 1 . 8 ARG HB2 . . . 1 . 8 ARG HD* . . rr_1k18 1 44 1 OR . 1 1 8 8 ARG HG2 H . . . 1 1 8 8 ARG HD2 H . . . . . . 2.521 2.739 . . . . . A . 8 ARG HG2 . . A . 8 ARG HD2 . 1 . 8 ARG HG2 . . . 1 . 8 ARG HD* . . rr_1k18 1 44 2 OR . 1 1 8 8 ARG HD3 H . . . 1 1 8 8 ARG HG2 H . . . . . . 2.521 2.739 . . . . . A . 8 ARG HD3 . . A . 8 ARG HG2 . 1 . 8 ARG HD* . . . 1 . 8 ARG HG2 . . rr_1k18 1 45 1 . . 1 1 7 7 CYS HA H . . . 1 1 9 9 ASN H H . . . . . . 3.469 4.062 . . . . . A . 7 CYS HA . . A . 9 ASN H . 1 . 7 CYSH HA . . . 1 . 9 ASN HN . . rr_1k18 1 46 1 . . 1 1 8 8 ARG H H . . . 1 1 9 9 ASN H H . . . . . . 2.865 3.157 . . . . . A . 8 ARG H . . A . 9 ASN H . 1 . 8 ARG HN . . . 1 . 9 ASN HN . . rr_1k18 1 47 1 . . 1 1 8 8 ARG HA H . . . 1 1 9 9 ASN H H . . . . . . 2.516 2.753 . . . . . A . 8 ARG HA . . A . 9 ASN H . 1 . 8 ARG HA . . . 1 . 9 ASN HN . . rr_1k18 1 48 1 . . 1 1 9 9 ASN H H . . . 1 1 9 9 ASN HA H . . . . . . 2.379 2.603 . . . . . A . 9 ASN H . . A . 9 ASN HA . 1 . 9 ASN HN . . . 1 . 9 ASN HA . . rr_1k18 1 49 1 . . 1 1 9 9 ASN HA H . . . 1 1 9 9 ASN HB2 H . . . . . . 3.067 3.357 . . . . . A . 9 ASN HA . . A . 9 ASN HB2 . 1 . 9 ASN HA . . . 1 . 9 ASN HB2 . . rr_1k18 1 50 1 . . 1 1 6 6 THR HA H . . . 1 1 10 10 ARG H H . . . . . . 3.238 3.643 . . . . . A . 6 THR HA . . A . 10 ARG H . 1 . 6 THR HA . . . 1 . 10 ARG HN . . rr_1k18 1 51 1 . . 1 1 7 7 CYS HA H . . . 1 1 10 10 ARG H H . . . . . . 3.398 3.811 . . . . . A . 7 CYS HA . . A . 10 ARG H . 1 . 7 CYSH HA . . . 1 . 10 ARG HN . . rr_1k18 1 52 1 . . 1 1 9 9 ASN HA H . . . 1 1 10 10 ARG H H . . . . . . 2.938 3.247 . . . . . A . 9 ASN HA . . A . 10 ARG H . 1 . 9 ASN HA . . . 1 . 10 ARG HN . . rr_1k18 1 53 1 . . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HA H . . . . . . 2.990 3.296 . . . . . A . 10 ARG H . . A . 10 ARG HA . 1 . 10 ARG HN . . . 1 . 10 ARG HA . . rr_1k18 1 54 1 . . 1 1 10 10 ARG HA H . . . 1 1 10 10 ARG HB3 H . . . . . . 2.616 2.864 . . . . . A . 10 ARG HA . . A . 10 ARG HB3 . 1 . 10 ARG HA . . . 1 . 10 ARG HB1 . . rr_1k18 1 55 1 . . 1 1 10 10 ARG HA H . . . 1 1 10 10 ARG HG3 H . . . . . . 2.514 2.750 . . . . . A . 10 ARG HA . . A . 10 ARG HG3 . 1 . 10 ARG HA . . . 1 . 10 ARG HG1 . . rr_1k18 1 56 1 . . 1 1 10 10 ARG HA H . . . 1 1 10 10 ARG HG2 H . . . . . . 3.447 3.809 . . . . . A . 10 ARG HA . . A . 10 ARG HG2 . 1 . 10 ARG HA . . . 1 . 10 ARG HG2 . . rr_1k18 1 57 1 OR . 1 1 10 10 ARG HB2 H . . . 1 1 10 10 ARG HD2 H . . . . . . 3.723 4.058 . . . . . A . 10 ARG HB2 . . A . 10 ARG HD2 . 1 . 10 ARG HB2 . . . 1 . 10 ARG HD* . . rr_1k18 1 57 2 OR . 1 1 10 10 ARG HD3 H . . . 1 1 10 10 ARG HB2 H . . . . . . 3.723 4.058 . . . . . A . 10 ARG HD3 . . A . 10 ARG HB2 . 1 . 10 ARG HD* . . . 1 . 10 ARG HB2 . . rr_1k18 1 58 1 . . 1 1 7 7 CYS HA H . . . 1 1 11 11 THR H H . . . . . . 3.350 3.844 . . . . . A . 7 CYS HA . . A . 11 THR H . 1 . 7 CYSH HA . . . 1 . 11 THR HN . . rr_1k18 1 59 1 . . 1 1 10 10 ARG HA H . . . 1 1 11 11 THR H H . . . . . . 2.777 3.050 . . . . . A . 10 ARG HA . . A . 11 THR H . 1 . 10 ARG HA . . . 1 . 11 THR HN . . rr_1k18 1 60 1 . . 1 1 11 11 THR H H . . . 1 1 11 11 THR HA H . . . . . . 2.687 2.964 . . . . . A . 11 THR H . . A . 11 THR HA . 1 . 11 THR HN . . . 1 . 11 THR HA . . rr_1k18 1 61 1 . . 1 1 11 11 THR H H . . . 1 1 11 11 THR MG H . . . . . . 4.304 5.240 . . . . . A . 11 THR H . . A . 11 THR MG . 1 . 11 THR HN . . . 1 . 11 THR HG2* . . rr_1k18 1 62 1 . . 1 1 11 11 THR HA H . . . 1 1 11 11 THR MG H . . . . . . 3.099 3.362 . . . . . A . 11 THR HA . . A . 11 THR MG . 1 . 11 THR HA . . . 1 . 11 THR HG2* . . rr_1k18 1 63 1 . . 1 1 8 8 ARG HA H . . . 1 1 12 12 ARG H H . . . . . . 3.416 3.840 . . . . . A . 8 ARG HA . . A . 12 ARG H . 1 . 8 ARG HA . . . 1 . 12 ARG HN . . rr_1k18 1 64 1 . . 1 1 9 9 ASN HA H . . . 1 1 12 12 ARG H H . . . . . . 3.336 3.768 . . . . . A . 9 ASN HA . . A . 12 ARG H . 1 . 9 ASN HA . . . 1 . 12 ARG HN . . rr_1k18 1 65 1 . . 1 1 12 12 ARG H H . . . 1 1 12 12 ARG HA H . . . . . . 2.356 2.579 . . . . . A . 12 ARG H . . A . 12 ARG HA . 1 . 12 ARG HN . . . 1 . 12 ARG HA . . rr_1k18 1 66 1 . . 1 1 12 12 ARG HB3 H . . . 1 1 8 8 ARG HG3 H . . . . . . 2.296 2.518 . . . . . A . 12 ARG HB3 . . A . 8 ARG HG3 . 1 . 12 ARG HB1 . . . 1 . 8 ARG HG1 . . rr_1k18 1 67 1 OR . 1 1 12 12 ARG HB3 H . . . 1 1 8 8 ARG HD2 H . . . . . . 2.945 3.184 . . . . . A . 12 ARG HB3 . . A . 8 ARG HD2 . 1 . 12 ARG HB1 . . . 1 . 8 ARG HD* . . rr_1k18 1 67 2 OR . 1 1 8 8 ARG HD3 H . . . 1 1 12 12 ARG HB3 H . . . . . . 2.945 3.184 . . . . . A . 8 ARG HD3 . . A . 12 ARG HB3 . 1 . 8 ARG HD* . . . 1 . 12 ARG HB1 . . rr_1k18 1 68 1 . . 1 1 12 12 ARG H H . . . 1 1 12 12 ARG HB3 H . . . . . . 3.576 3.959 . . . . . A . 12 ARG H . . A . 12 ARG HB3 . 1 . 12 ARG HN . . . 1 . 12 ARG HB1 . . rr_1k18 1 69 1 . . 1 1 12 12 ARG HA H . . . 1 1 12 12 ARG HB3 H . . . . . . 2.941 3.215 . . . . . A . 12 ARG HA . . A . 12 ARG HB3 . 1 . 12 ARG HA . . . 1 . 12 ARG HB1 . . rr_1k18 1 70 1 . . 1 1 12 12 ARG HA H . . . 1 1 12 12 ARG HB2 H . . . . . . 2.390 2.620 . . . . . A . 12 ARG HA . . A . 12 ARG HB2 . 1 . 12 ARG HA . . . 1 . 12 ARG HB2 . . rr_1k18 1 71 1 OR . 1 1 12 12 ARG HB3 H . . . 1 1 12 12 ARG HD2 H . . . . . . 3.673 3.977 . . . . . A . 12 ARG HB3 . . A . 12 ARG HD2 . 1 . 12 ARG HB1 . . . 1 . 12 ARG HD* . . rr_1k18 1 71 2 OR . 1 1 12 12 ARG HB3 H . . . 1 1 12 12 ARG HD3 H . . . . . . 3.673 3.977 . . . . . A . 12 ARG HB3 . . A . 12 ARG HD3 . 1 . 12 ARG HB1 . . . 1 . 12 ARG HD* . . rr_1k18 1 72 1 OR . 1 1 12 12 ARG HB2 H . . . 1 1 12 12 ARG HD2 H . . . . . . 2.689 2.911 . . . . . A . 12 ARG HB2 . . A . 12 ARG HD2 . 1 . 12 ARG HB2 . . . 1 . 12 ARG HD* . . rr_1k18 1 72 2 OR . 1 1 12 12 ARG HB2 H . . . 1 1 12 12 ARG HD3 H . . . . . . 2.689 2.911 . . . . . A . 12 ARG HB2 . . A . 12 ARG HD3 . 1 . 12 ARG HB2 . . . 1 . 12 ARG HD* . . rr_1k18 1 73 1 OR . 1 1 12 12 ARG HG3 H . . . 1 1 12 12 ARG HD2 H . . . . . . 2.480 2.706 . . . . . A . 12 ARG HG3 . . A . 12 ARG HD2 . 1 . 12 ARG HG1 . . . 1 . 12 ARG HD* . . rr_1k18 1 73 2 OR . 1 1 12 12 ARG HD3 H . . . 1 1 12 12 ARG HG3 H . . . . . . 2.480 2.706 . . . . . A . 12 ARG HD3 . . A . 12 ARG HG3 . 1 . 12 ARG HD* . . . 1 . 12 ARG HG1 . . rr_1k18 1 74 1 OR . 1 1 12 12 ARG HG2 H . . . 1 1 12 12 ARG HD2 H . . . . . . 2.645 2.874 . . . . . A . 12 ARG HG2 . . A . 12 ARG HD2 . 1 . 12 ARG HG2 . . . 1 . 12 ARG HD* . . rr_1k18 1 74 2 OR . 1 1 12 12 ARG HD3 H . . . 1 1 12 12 ARG HG2 H . . . . . . 2.645 2.874 . . . . . A . 12 ARG HD3 . . A . 12 ARG HG2 . 1 . 12 ARG HD* . . . 1 . 12 ARG HG2 . . rr_1k18 1 75 1 . . 1 1 12 12 ARG HA H . . . 1 1 13 13 HIS H H . . . . . . 2.557 2.808 . . . . . A . 12 ARG HA . . A . 13 HIS H . 1 . 12 ARG HA . . . 1 . 13 HIS HN . . rr_1k18 1 76 1 . . 1 1 13 13 HIS H H . . . 1 1 13 13 HIS HA H . . . . . . 2.831 3.122 . . . . . A . 13 HIS H . . A . 13 HIS HA . 1 . 13 HIS HN . . . 1 . 13 HIS HA . . rr_1k18 1 77 1 . . 1 1 11 11 THR HA H . . . 1 1 14 14 LEU H H . . . . . . 3.253 3.678 . . . . . A . 11 THR HA . . A . 14 LEU H . 1 . 11 THR HA . . . 1 . 14 LEU HN . . rr_1k18 1 78 1 . . 1 1 11 11 THR MG H . . . 1 1 14 14 LEU H H . . . . . . 4.452 5.337 . . . . . A . 11 THR MG . . A . 14 LEU H . 1 . 11 THR HG2* . . . 1 . 14 LEU HN . . rr_1k18 1 79 1 . . 1 1 13 13 HIS HA H . . . 1 1 14 14 LEU H H . . . . . . 3.614 4.169 . . . . . A . 13 HIS HA . . A . 14 LEU H . 1 . 13 HIS HA . . . 1 . 14 LEU HN . . rr_1k18 1 80 1 . . 1 1 11 11 THR MG H . . . 1 1 14 14 LEU HA H . . . . . . 4.855 6.537 . . . . . A . 11 THR MG . . A . 14 LEU HA . 1 . 11 THR HG2* . . . 1 . 14 LEU HA . . rr_1k18 1 81 1 . . 1 1 14 14 LEU H H . . . 1 1 14 14 LEU HA H . . . . . . 2.211 2.424 . . . . . A . 14 LEU H . . A . 14 LEU HA . 1 . 14 LEU HN . . . 1 . 14 LEU HA . . rr_1k18 1 82 1 OR . 1 1 14 14 LEU H H . . . 1 1 14 14 LEU HB2 H . . . . . . 3.526 3.921 . . . . . A . 14 LEU H . . A . 14 LEU HB2 . 1 . 14 LEU HN . . . 1 . 14 LEU HB* . . rr_1k18 1 82 2 OR . 1 1 14 14 LEU H H . . . 1 1 14 14 LEU HB3 H . . . . . . 3.526 3.921 . . . . . A . 14 LEU H . . A . 14 LEU HB3 . 1 . 14 LEU HN . . . 1 . 14 LEU HB* . . rr_1k18 1 83 1 OR . 1 1 14 14 LEU HA H . . . 1 1 14 14 LEU HB2 H . . . . . . 2.673 2.898 . . . . . A . 14 LEU HA . . A . 14 LEU HB2 . 1 . 14 LEU HA . . . 1 . 14 LEU HB* . . rr_1k18 1 83 2 OR . 1 1 14 14 LEU HA H . . . 1 1 14 14 LEU HB3 H . . . . . . 2.673 2.898 . . . . . A . 14 LEU HA . . A . 14 LEU HB3 . 1 . 14 LEU HA . . . 1 . 14 LEU HB* . . rr_1k18 1 84 1 . . 1 1 14 14 LEU HA H . . . 1 1 14 14 LEU MD1 H . . . . . . 4.351 5.108 . . . . . A . 14 LEU HA . . A . 14 LEU MD1 . 1 . 14 LEU HA . . . 1 . 14 LEU HD1* . . rr_1k18 1 85 1 . . 1 1 10 10 ARG HA H . . . 1 1 14 14 LEU MD2 H . . . . . . 3.267 3.513 . . . . . A . 10 ARG HA . . A . 14 LEU MD2 . 1 . 10 ARG HA . . . 1 . 14 LEU HD2* . . rr_1k18 1 86 1 . . 1 1 14 14 LEU HA H . . . 1 1 14 14 LEU MD2 H . . . . . . 3.868 4.343 . . . . . A . 14 LEU HA . . A . 14 LEU MD2 . 1 . 14 LEU HA . . . 1 . 14 LEU HD2* . . rr_1k18 1 87 1 OR . 1 1 15 15 PRO HA H . . . 1 1 15 15 PRO HB2 H . . . . . . 2.569 2.793 . . . . . A . 15 PRO HA . . A . 15 PRO HB2 . 1 . 15 PRO HA . . . 1 . 15 PRO HB* . . rr_1k18 1 87 2 OR . 1 1 15 15 PRO HB3 H . . . 1 1 15 15 PRO HA H . . . . . . 2.569 2.793 . . . . . A . 15 PRO HB3 . . A . 15 PRO HA . 1 . 15 PRO HB* . . . 1 . 15 PRO HA . . rr_1k18 1 88 1 OR . 1 1 15 15 PRO HA H . . . 1 1 15 15 PRO HG2 H . . . . . . 3.275 3.600 . . . . . A . 15 PRO HA . . A . 15 PRO HG2 . 1 . 15 PRO HA . . . 1 . 15 PRO HG* . . rr_1k18 1 88 2 OR . 1 1 15 15 PRO HA H . . . 1 1 15 15 PRO HG3 H . . . . . . 3.275 3.600 . . . . . A . 15 PRO HA . . A . 15 PRO HG3 . 1 . 15 PRO HA . . . 1 . 15 PRO HG* . . rr_1k18 1 89 1 . . 1 1 13 13 HIS HA H . . . 1 1 15 15 PRO HD3 H . . . . . . 2.961 3.269 . . . . . A . 13 HIS HA . . A . 15 PRO HD3 . 1 . 13 HIS HA . . . 1 . 15 PRO HD1 . . rr_1k18 1 90 1 OR . 1 1 15 15 PRO HD3 H . . . 1 1 15 15 PRO HB2 H . . . . . . 3.430 3.756 . . . . . A . 15 PRO HD3 . . A . 15 PRO HB2 . 1 . 15 PRO HD1 . . . 1 . 15 PRO HB* . . rr_1k18 1 90 2 OR . 1 1 15 15 PRO HB3 H . . . 1 1 15 15 PRO HD3 H . . . . . . 3.430 3.756 . . . . . A . 15 PRO HB3 . . A . 15 PRO HD3 . 1 . 15 PRO HB* . . . 1 . 15 PRO HD1 . . rr_1k18 1 91 1 OR . 1 1 16 16 LEU H H . . . 1 1 14 14 LEU HB2 H . . . . . . 2.593 2.821 . . . . . A . 16 LEU H . . A . 14 LEU HB2 . 1 . 16 LEU HN . . . 1 . 14 LEU HB* . . rr_1k18 1 91 2 OR . 1 1 14 14 LEU HB3 H . . . 1 1 16 16 LEU H H . . . . . . 2.593 2.821 . . . . . A . 14 LEU HB3 . . A . 16 LEU H . 1 . 14 LEU HB* . . . 1 . 16 LEU HN . . rr_1k18 1 92 1 . . 1 1 15 15 PRO HA H . . . 1 1 16 16 LEU H H . . . . . . 2.530 2.774 . . . . . A . 15 PRO HA . . A . 16 LEU H . 1 . 15 PRO HA . . . 1 . 16 LEU HN . . rr_1k18 1 93 1 OR . 1 1 16 16 LEU H H . . . 1 1 15 15 PRO HB2 H . . . . . . 2.980 3.249 . . . . . A . 16 LEU H . . A . 15 PRO HB2 . 1 . 16 LEU HN . . . 1 . 15 PRO HB* . . rr_1k18 1 93 2 OR . 1 1 15 15 PRO HB3 H . . . 1 1 16 16 LEU H H . . . . . . 2.980 3.249 . . . . . A . 15 PRO HB3 . . A . 16 LEU H . 1 . 15 PRO HB* . . . 1 . 16 LEU HN . . rr_1k18 1 94 1 OR . 1 1 16 16 LEU HA H . . . 1 1 14 14 LEU HB2 H . . . . . . 3.768 4.203 . . . . . A . 16 LEU HA . . A . 14 LEU HB2 . 1 . 16 LEU HA . . . 1 . 14 LEU HB* . . rr_1k18 1 94 2 OR . 1 1 14 14 LEU HB3 H . . . 1 1 16 16 LEU HA H . . . . . . 3.768 4.203 . . . . . A . 14 LEU HB3 . . A . 16 LEU HA . 1 . 14 LEU HB* . . . 1 . 16 LEU HA . . rr_1k18 1 95 1 . . 1 1 16 16 LEU H H . . . 1 1 16 16 LEU HA H . . . . . . 2.414 2.645 . . . . . A . 16 LEU H . . A . 16 LEU HA . 1 . 16 LEU HN . . . 1 . 16 LEU HA . . rr_1k18 1 96 1 OR . 1 1 14 14 LEU HA H . . . 1 1 16 16 LEU HB2 H . . . . . . 3.966 4.374 . . . . . A . 14 LEU HA . . A . 16 LEU HB2 . 1 . 14 LEU HA . . . 1 . 16 LEU HB* . . rr_1k18 1 96 2 OR . 1 1 14 14 LEU HA H . . . 1 1 16 16 LEU HB3 H . . . . . . 3.966 4.374 . . . . . A . 14 LEU HA . . A . 16 LEU HB3 . 1 . 14 LEU HA . . . 1 . 16 LEU HB* . . rr_1k18 1 97 1 OR . 1 1 16 16 LEU H H . . . 1 1 16 16 LEU HB2 H . . . . . . 2.697 2.931 . . . . . A . 16 LEU H . . A . 16 LEU HB2 . 1 . 16 LEU HN . . . 1 . 16 LEU HB* . . rr_1k18 1 97 2 OR . 1 1 16 16 LEU H H . . . 1 1 16 16 LEU HB3 H . . . . . . 2.697 2.931 . . . . . A . 16 LEU H . . A . 16 LEU HB3 . 1 . 16 LEU HN . . . 1 . 16 LEU HB* . . rr_1k18 1 98 1 OR . 1 1 16 16 LEU HA H . . . 1 1 16 16 LEU HB2 H . . . . . . 2.816 3.046 . . . . . A . 16 LEU HA . . A . 16 LEU HB2 . 1 . 16 LEU HA . . . 1 . 16 LEU HB* . . rr_1k18 1 98 2 OR . 1 1 16 16 LEU HA H . . . 1 1 16 16 LEU HB3 H . . . . . . 2.816 3.046 . . . . . A . 16 LEU HA . . A . 16 LEU HB3 . 1 . 16 LEU HA . . . 1 . 16 LEU HB* . . rr_1k18 1 99 1 . . 1 1 14 14 LEU H H . . . 1 1 16 16 LEU HG H . . . . . . 3.631 4.312 . . . . . A . 14 LEU H . . A . 16 LEU HG . 1 . 14 LEU HN . . . 1 . 16 LEU HG . . rr_1k18 1 100 1 . . 1 1 16 16 LEU HA H . . . 1 1 16 16 LEU MD1 H . . . . . . 2.938 3.167 . . . . . A . 16 LEU HA . . A . 16 LEU MD1 . 1 . 16 LEU HA . . . 1 . 16 LEU HD1* . . rr_1k18 1 101 1 . . 1 1 16 16 LEU HA H . . . 1 1 16 16 LEU MD2 H . . . . . . 3.421 3.714 . . . . . A . 16 LEU HA . . A . 16 LEU MD2 . 1 . 16 LEU HA . . . 1 . 16 LEU HD2* . . rr_1k18 1 102 1 . . 1 1 14 14 LEU HA H . . . 1 1 17 17 GLN H H . . . . . . 3.347 3.740 . . . . . A . 14 LEU HA . . A . 17 GLN H . 1 . 14 LEU HA . . . 1 . 17 GLN HN . . rr_1k18 1 103 1 . . 1 1 15 15 PRO HA H . . . 1 1 17 17 GLN H H . . . . . . 2.868 3.151 . . . . . A . 15 PRO HA . . A . 17 GLN H . 1 . 15 PRO HA . . . 1 . 17 GLN HN . . rr_1k18 1 104 1 . . 1 1 16 16 LEU HA H . . . 1 1 17 17 GLN H H . . . . . . 3.012 3.334 . . . . . A . 16 LEU HA . . A . 17 GLN H . 1 . 16 LEU HA . . . 1 . 17 GLN HN . . rr_1k18 1 105 1 OR . 1 1 17 17 GLN HA H . . . 1 1 16 16 LEU HB2 H . . . . . . 3.541 3.953 . . . . . A . 17 GLN HA . . A . 16 LEU HB2 . 1 . 17 GLN HA . . . 1 . 16 LEU HB* . . rr_1k18 1 105 2 OR . 1 1 16 16 LEU HB3 H . . . 1 1 17 17 GLN HA H . . . . . . 3.541 3.953 . . . . . A . 16 LEU HB3 . . A . 17 GLN HA . 1 . 16 LEU HB* . . . 1 . 17 GLN HA . . rr_1k18 1 106 1 . . 1 1 17 17 GLN H H . . . 1 1 17 17 GLN HA H . . . . . . 2.390 2.620 . . . . . A . 17 GLN H . . A . 17 GLN HA . 1 . 17 GLN HN . . . 1 . 17 GLN HA . . rr_1k18 1 107 1 OR . 1 1 15 15 PRO HD2 H . . . 1 1 17 17 GLN HB2 H . . . . . . 4.311 5.760 . . . . . A . 15 PRO HD2 . . A . 17 GLN HB2 . 1 . 15 PRO HD2 . . . 1 . 17 GLN HB* . . rr_1k18 1 107 2 OR . 1 1 17 17 GLN HB3 H . . . 1 1 15 15 PRO HD2 H . . . . . . 4.311 5.760 . . . . . A . 17 GLN HB3 . . A . 15 PRO HD2 . 1 . 17 GLN HB* . . . 1 . 15 PRO HD2 . . rr_1k18 1 108 1 OR . 1 1 17 17 GLN H H . . . 1 1 17 17 GLN HB2 H . . . . . . 3.163 3.432 . . . . . A . 17 GLN H . . A . 17 GLN HB2 . 1 . 17 GLN HN . . . 1 . 17 GLN HB* . . rr_1k18 1 108 2 OR . 1 1 17 17 GLN H H . . . 1 1 17 17 GLN HB3 H . . . . . . 3.163 3.432 . . . . . A . 17 GLN H . . A . 17 GLN HB3 . 1 . 17 GLN HN . . . 1 . 17 GLN HB* . . rr_1k18 1 109 1 . . 1 1 15 15 PRO HA H . . . 1 1 18 18 PHE H H . . . . . . 3.219 3.666 . . . . . A . 15 PRO HA . . A . 18 PHE H . 1 . 15 PRO HA . . . 1 . 18 PHE HN . . rr_1k18 1 110 1 . . 1 1 17 17 GLN HA H . . . 1 1 18 18 PHE H H . . . . . . 2.001 2.234 . . . . . A . 17 GLN HA . . A . 18 PHE H . 1 . 17 GLN HA . . . 1 . 18 PHE HN . . rr_1k18 1 111 1 . . 1 1 18 18 PHE H H . . . 1 1 18 18 PHE HA H . . . . . . 2.565 2.864 . . . . . A . 18 PHE H . . A . 18 PHE HA . 1 . 18 PHE HN . . . 1 . 18 PHE HA . . rr_1k18 1 112 1 OR . 1 1 18 18 PHE QE H . . . 1 1 18 18 PHE HB2 H . . . . . . 4.283 4.994 . . . . . A . 18 PHE QE . . A . 18 PHE HB2 . 1 . 18 PHE HE* . . . 1 . 18 PHE HB* . . rr_1k18 1 112 2 OR . 1 1 18 18 PHE QE H . . . 1 1 18 18 PHE HB3 H . . . . . . 4.283 4.994 . . . . . A . 18 PHE QE . . A . 18 PHE HB3 . 1 . 18 PHE HE* . . . 1 . 18 PHE HB* . . rr_1k18 1 113 1 . . 1 1 17 17 GLN HA H . . . 1 1 19 19 SER H H . . . . . . 2.229 2.446 . . . . . A . 17 GLN HA . . A . 19 SER H . 1 . 17 GLN HA . . . 1 . 19 SER HN . . rr_1k18 1 114 1 . . 1 1 18 18 PHE HA H . . . 1 1 19 19 SER H H . . . . . . 2.734 2.997 . . . . . A . 18 PHE HA . . A . 19 SER H . 1 . 18 PHE HA . . . 1 . 19 SER HN . . rr_1k18 1 115 1 . . 1 1 19 19 SER H H . . . 1 1 19 19 SER HA H . . . . . . 2.942 3.276 . . . . . A . 19 SER H . . A . 19 SER HA . 1 . 19 SER HN . . . 1 . 19 SER HA . . rr_1k18 1 116 1 OR . 1 1 19 19 SER H H . . . 1 1 19 19 SER HB2 H . . . . . . 2.885 3.117 . . . . . A . 19 SER H . . A . 19 SER HB2 . 1 . 19 SER HN . . . 1 . 19 SER HB* . . rr_1k18 1 116 2 OR . 1 1 19 19 SER H H . . . 1 1 19 19 SER HB3 H . . . . . . 2.885 3.117 . . . . . A . 19 SER H . . A . 19 SER HB3 . 1 . 19 SER HN . . . 1 . 19 SER HB* . . rr_1k18 1 117 1 OR . 1 1 19 19 SER HG H . . . 1 1 15 15 PRO HB2 H . . . . . . 3.499 3.813 . . . . . A . 19 SER HG . . A . 15 PRO HB2 . 1 . 19 SER HG . . . 1 . 15 PRO HB* . . rr_1k18 1 117 2 OR . 1 1 15 15 PRO HB3 H . . . 1 1 19 19 SER HG H . . . . . . 3.499 3.813 . . . . . A . 15 PRO HB3 . . A . 19 SER HG . 1 . 15 PRO HB* . . . 1 . 19 SER HG . . rr_1k18 1 118 1 . . 1 1 18 18 PHE H H . . . 1 1 20 20 ARG H H . . . . . . 2.365 2.620 . . . . . A . 18 PHE H . . A . 20 ARG H . 1 . 18 PHE HN . . . 1 . 20 ARG HN . . rr_1k18 1 119 1 . . 1 1 19 19 SER HA H . . . 1 1 20 20 ARG H H . . . . . . 2.975 3.244 . . . . . A . 19 SER HA . . A . 20 ARG H . 1 . 19 SER HA . . . 1 . 20 ARG HN . . rr_1k18 1 120 1 OR . 1 1 20 20 ARG H H . . . 1 1 19 19 SER HB2 H . . . . . . 3.153 3.455 . . . . . A . 20 ARG H . . A . 19 SER HB2 . 1 . 20 ARG HN . . . 1 . 19 SER HB* . . rr_1k18 1 120 2 OR . 1 1 19 19 SER HB3 H . . . 1 1 20 20 ARG H H . . . . . . 3.153 3.455 . . . . . A . 19 SER HB3 . . A . 20 ARG H . 1 . 19 SER HB* . . . 1 . 20 ARG HN . . rr_1k18 1 121 1 . . 1 1 20 20 ARG H H . . . 1 1 20 20 ARG HA H . . . . . . 2.911 3.210 . . . . . A . 20 ARG H . . A . 20 ARG HA . 1 . 20 ARG HN . . . 1 . 20 ARG HA . . rr_1k18 1 122 1 . . 1 1 20 20 ARG HA H . . . 1 1 20 20 ARG HB2 H . . . . . . 2.450 2.685 . . . . . A . 20 ARG HA . . A . 20 ARG HB2 . 1 . 20 ARG HA . . . 1 . 20 ARG HB2 . . rr_1k18 1 123 1 OR . 1 1 20 20 ARG HB3 H . . . 1 1 20 20 ARG HD2 H . . . . . . 2.814 3.062 . . . . . A . 20 ARG HB3 . . A . 20 ARG HD2 . 1 . 20 ARG HB1 . . . 1 . 20 ARG HD* . . rr_1k18 1 123 2 OR . 1 1 20 20 ARG HD3 H . . . 1 1 20 20 ARG HB3 H . . . . . . 2.814 3.062 . . . . . A . 20 ARG HD3 . . A . 20 ARG HB3 . 1 . 20 ARG HD* . . . 1 . 20 ARG HB1 . . rr_1k18 1 124 1 OR . 1 1 20 20 ARG HB2 H . . . 1 1 20 20 ARG HD2 H . . . . . . 3.125 3.398 . . . . . A . 20 ARG HB2 . . A . 20 ARG HD2 . 1 . 20 ARG HB2 . . . 1 . 20 ARG HD* . . rr_1k18 1 124 2 OR . 1 1 20 20 ARG HB2 H . . . 1 1 20 20 ARG HD3 H . . . . . . 3.125 3.398 . . . . . A . 20 ARG HB2 . . A . 20 ARG HD3 . 1 . 20 ARG HB2 . . . 1 . 20 ARG HD* . . rr_1k18 1 125 1 OR . 1 1 20 20 ARG HG3 H . . . 1 1 20 20 ARG HD2 H . . . . . . 2.521 2.741 . . . . . A . 20 ARG HG3 . . A . 20 ARG HD2 . 1 . 20 ARG HG1 . . . 1 . 20 ARG HD* . . rr_1k18 1 125 2 OR . 1 1 20 20 ARG HD3 H . . . 1 1 20 20 ARG HG3 H . . . . . . 2.521 2.741 . . . . . A . 20 ARG HD3 . . A . 20 ARG HG3 . 1 . 20 ARG HD* . . . 1 . 20 ARG HG1 . . rr_1k18 1 126 1 OR . 1 1 20 20 ARG HG2 H . . . 1 1 20 20 ARG HD2 H . . . . . . 2.510 2.726 . . . . . A . 20 ARG HG2 . . A . 20 ARG HD2 . 1 . 20 ARG HG2 . . . 1 . 20 ARG HD* . . rr_1k18 1 126 2 OR . 1 1 20 20 ARG HD3 H . . . 1 1 20 20 ARG HG2 H . . . . . . 2.510 2.726 . . . . . A . 20 ARG HD3 . . A . 20 ARG HG2 . 1 . 20 ARG HD* . . . 1 . 20 ARG HG2 . . rr_1k18 1 127 1 . . 1 1 20 20 ARG HA H . . . 1 1 21 21 THR H H . . . . . . 2.334 2.560 . . . . . A . 20 ARG HA . . A . 21 THR H . 1 . 20 ARG HA . . . 1 . 21 THR HN . . rr_1k18 1 128 1 . . 1 1 21 21 THR H H . . . 1 1 21 21 THR HA H . . . . . . 2.649 2.901 . . . . . A . 21 THR H . . A . 21 THR HA . 1 . 21 THR HN . . . 1 . 21 THR HA . . rr_1k18 1 129 1 OR . 1 1 21 21 THR MG H . . . 1 1 18 18 PHE HB2 H . . . . . . 4.904 5.349 . . . . . A . 21 THR MG . . A . 18 PHE HB2 . 1 . 21 THR HG2* . . . 1 . 18 PHE HB* . . rr_1k18 1 129 2 OR . 1 1 18 18 PHE HB3 H . . . 1 1 21 21 THR MG H . . . . . . 4.904 5.349 . . . . . A . 18 PHE HB3 . . A . 21 THR MG . 1 . 18 PHE HB* . . . 1 . 21 THR HG2* . . rr_1k18 1 130 1 . . 1 1 19 19 SER HA H . . . 1 1 21 21 THR MG H . . . . . . 4.943 5.899 . . . . . A . 19 SER HA . . A . 21 THR MG . 1 . 19 SER HA . . . 1 . 21 THR HG2* . . rr_1k18 1 131 1 . . 1 1 20 20 ARG HA H . . . 1 1 21 21 THR MG H . . . . . . 4.624 5.336 . . . . . A . 20 ARG HA . . A . 21 THR MG . 1 . 20 ARG HA . . . 1 . 21 THR HG2* . . rr_1k18 1 132 1 . . 1 1 21 21 THR H H . . . 1 1 21 21 THR MG H . . . . . . 3.071 3.294 . . . . . A . 21 THR H . . A . 21 THR MG . 1 . 21 THR HN . . . 1 . 21 THR HG2* . . rr_1k18 1 133 1 . . 1 1 21 21 THR HA H . . . 1 1 21 21 THR MG H . . . . . . 3.931 4.327 . . . . . A . 21 THR HA . . A . 21 THR MG . 1 . 21 THR HA . . . 1 . 21 THR HG2* . . rr_1k18 1 134 1 . . 1 1 21 21 THR HA H . . . 1 1 22 22 GLY H H . . . . . . 2.512 2.744 . . . . . A . 21 THR HA . . A . 22 GLY H . 1 . 21 THR HA . . . 1 . 22 GLY HN . . rr_1k18 1 135 1 OR . 1 1 22 22 GLY H H . . . 1 1 22 22 GLY HA2 H . . . . . . 2.876 3.127 . . . . . A . 22 GLY H . . A . 22 GLY HA2 . 1 . 22 GLY HN . . . 1 . 22 GLY HA* . . rr_1k18 1 135 2 OR . 1 1 22 22 GLY H H . . . 1 1 22 22 GLY HA3 H . . . . . . 2.876 3.127 . . . . . A . 22 GLY H . . A . 22 GLY HA3 . 1 . 22 GLY HN . . . 1 . 22 GLY HA* . . rr_1k18 1 136 1 . . 1 1 21 21 THR HA H . . . 1 1 23 23 PRO HA H . . . . . . 2.955 3.255 . . . . . A . 21 THR HA . . A . 23 PRO HA . 1 . 21 THR HA . . . 1 . 23 PRO HA . . rr_1k18 1 137 1 OR . 1 1 20 20 ARG HB2 H . . . 1 1 23 23 PRO HB2 H . . . . . . 4.061 4.475 . . . . . A . 20 ARG HB2 . . A . 23 PRO HB2 . 1 . 20 ARG HB2 . . . 1 . 23 PRO HB* . . rr_1k18 1 137 2 OR . 1 1 20 20 ARG HB2 H . . . 1 1 23 23 PRO HB3 H . . . . . . 4.061 4.475 . . . . . A . 20 ARG HB2 . . A . 23 PRO HB3 . 1 . 20 ARG HB2 . . . 1 . 23 PRO HB* . . rr_1k18 1 138 1 OR . 1 1 23 23 PRO HA H . . . 1 1 23 23 PRO HB2 H . . . . . . 2.533 2.751 . . . . . A . 23 PRO HA . . A . 23 PRO HB2 . 1 . 23 PRO HA . . . 1 . 23 PRO HB* . . rr_1k18 1 138 2 OR . 1 1 23 23 PRO HA H . . . 1 1 23 23 PRO HB3 H . . . . . . 2.533 2.751 . . . . . A . 23 PRO HA . . A . 23 PRO HB3 . 1 . 23 PRO HA . . . 1 . 23 PRO HB* . . rr_1k18 1 139 1 OR . 1 1 23 23 PRO HA H . . . 1 1 23 23 PRO HG2 H . . . . . . 3.115 3.360 . . . . . A . 23 PRO HA . . A . 23 PRO HG2 . 1 . 23 PRO HA . . . 1 . 23 PRO HG* . . rr_1k18 1 139 2 OR . 1 1 23 23 PRO HA H . . . 1 1 23 23 PRO HG3 H . . . . . . 3.115 3.360 . . . . . A . 23 PRO HA . . A . 23 PRO HG3 . 1 . 23 PRO HA . . . 1 . 23 PRO HG* . . rr_1k18 1 140 1 OR . 1 1 23 23 PRO HD3 H . . . 1 1 23 23 PRO HB2 H . . . . . . 3.315 3.595 . . . . . A . 23 PRO HD3 . . A . 23 PRO HB2 . 1 . 23 PRO HD1 . . . 1 . 23 PRO HB* . . rr_1k18 1 140 2 OR . 1 1 23 23 PRO HB3 H . . . 1 1 23 23 PRO HD3 H . . . . . . 3.315 3.595 . . . . . A . 23 PRO HB3 . . A . 23 PRO HD3 . 1 . 23 PRO HB* . . . 1 . 23 PRO HD1 . . rr_1k18 1 141 1 OR . 1 1 23 23 PRO HD2 H . . . 1 1 22 22 GLY HA2 H . . . . . . 4.369 5.888 . . . . . A . 23 PRO HD2 . . A . 22 GLY HA2 . 1 . 23 PRO HD2 . . . 1 . 22 GLY HA* . . rr_1k18 1 141 2 OR . 1 1 22 22 GLY HA3 H . . . 1 1 23 23 PRO HD2 H . . . . . . 4.369 5.888 . . . . . A . 22 GLY HA3 . . A . 23 PRO HD2 . 1 . 22 GLY HA* . . . 1 . 23 PRO HD2 . . rr_1k18 1 142 1 . . 1 1 18 18 PHE H H . . . 1 1 24 24 LEU H H . . . . . . 2.401 2.788 . . . . . A . 18 PHE H . . A . 24 LEU H . 1 . 18 PHE HN . . . 1 . 24 LEU HN . . rr_1k18 1 143 1 . . 1 1 21 21 THR HA H . . . 1 1 24 24 LEU H H . . . . . . 2.928 3.227 . . . . . A . 21 THR HA . . A . 24 LEU H . 1 . 21 THR HA . . . 1 . 24 LEU HN . . rr_1k18 1 144 1 OR . 1 1 24 24 LEU H H . . . 1 1 22 22 GLY HA2 H . . . . . . 3.430 3.709 . . . . . A . 24 LEU H . . A . 22 GLY HA2 . 1 . 24 LEU HN . . . 1 . 22 GLY HA* . . rr_1k18 1 144 2 OR . 1 1 22 22 GLY HA3 H . . . 1 1 24 24 LEU H H . . . . . . 3.430 3.709 . . . . . A . 22 GLY HA3 . . A . 24 LEU H . 1 . 22 GLY HA* . . . 1 . 24 LEU HN . . rr_1k18 1 145 1 . . 1 1 23 23 PRO HA H . . . 1 1 24 24 LEU H H . . . . . . 2.624 2.878 . . . . . A . 23 PRO HA . . A . 24 LEU H . 1 . 23 PRO HA . . . 1 . 24 LEU HN . . rr_1k18 1 146 1 OR . 1 1 24 24 LEU H H . . . 1 1 24 24 LEU HB2 H . . . . . . 2.508 2.719 . . . . . A . 24 LEU H . . A . 24 LEU HB2 . 1 . 24 LEU HN . . . 1 . 24 LEU HB* . . rr_1k18 1 146 2 OR . 1 1 24 24 LEU H H . . . 1 1 24 24 LEU HB3 H . . . . . . 2.508 2.719 . . . . . A . 24 LEU H . . A . 24 LEU HB3 . 1 . 24 LEU HN . . . 1 . 24 LEU HB* . . rr_1k18 1 147 1 OR . 1 1 24 24 LEU HA H . . . 1 1 24 24 LEU HB2 H . . . . . . 2.707 2.946 . . . . . A . 24 LEU HA . . A . 24 LEU HB2 . 1 . 24 LEU HA . . . 1 . 24 LEU HB* . . rr_1k18 1 147 2 OR . 1 1 24 24 LEU HB3 H . . . 1 1 24 24 LEU HA H . . . . . . 2.707 2.946 . . . . . A . 24 LEU HB3 . . A . 24 LEU HA . 1 . 24 LEU HB* . . . 1 . 24 LEU HA . . rr_1k18 1 148 1 OR . 1 1 24 24 LEU MD1 H . . . 1 1 22 22 GLY HA2 H . . . . . . 3.528 3.763 . . . . . A . 24 LEU MD1 . . A . 22 GLY HA2 . 1 . 24 LEU HD1* . . . 1 . 22 GLY HA* . . rr_1k18 1 148 2 OR . 1 1 22 22 GLY HA3 H . . . 1 1 24 24 LEU MD1 H . . . . . . 3.528 3.763 . . . . . A . 22 GLY HA3 . . A . 24 LEU MD1 . 1 . 22 GLY HA* . . . 1 . 24 LEU HD1* . . rr_1k18 1 149 1 . . 1 1 24 24 LEU HA H . . . 1 1 24 24 LEU MD1 H . . . . . . 3.028 3.266 . . . . . A . 24 LEU HA . . A . 24 LEU MD1 . 1 . 24 LEU HA . . . 1 . 24 LEU HD1* . . rr_1k18 1 150 1 OR . 1 1 24 24 LEU MD2 H . . . 1 1 24 24 LEU HB2 H . . . . . . 2.763 2.983 . . . . . A . 24 LEU MD2 . . A . 24 LEU HB2 . 1 . 24 LEU HD2* . . . 1 . 24 LEU HB* . . rr_1k18 1 150 2 OR . 1 1 24 24 LEU HB3 H . . . 1 1 24 24 LEU MD2 H . . . . . . 2.763 2.983 . . . . . A . 24 LEU HB3 . . A . 24 LEU MD2 . 1 . 24 LEU HB* . . . 1 . 24 LEU HD2* . . rr_1k18 1 151 1 . . 1 1 24 24 LEU HA H . . . 1 1 25 25 CYS H H . . . . . . 2.192 2.407 . . . . . A . 24 LEU HA . . A . 25 CYS H . 1 . 24 LEU HA . . . 1 . 25 CYSH HN . . rr_1k18 1 152 1 OR . 1 1 25 25 CYS H H . . . 1 1 24 24 LEU HB2 H . . . . . . 4.078 4.755 . . . . . A . 25 CYS H . . A . 24 LEU HB2 . 1 . 25 CYSH HN . . . 1 . 24 LEU HB* . . rr_1k18 1 152 2 OR . 1 1 24 24 LEU HB3 H . . . 1 1 25 25 CYS H H . . . . . . 4.078 4.755 . . . . . A . 24 LEU HB3 . . A . 25 CYS H . 1 . 24 LEU HB* . . . 1 . 25 CYSH HN . . rr_1k18 1 153 1 . . 1 1 25 25 CYS H H . . . 1 1 24 24 LEU HG H . . . . . . 3.137 3.473 . . . . . A . 25 CYS H . . A . 24 LEU HG . 1 . 25 CYSH HN . . . 1 . 24 LEU HG . . rr_1k18 1 154 1 . . 1 1 25 25 CYS H H . . . 1 1 25 25 CYS HA H . . . . . . 2.527 2.764 . . . . . A . 25 CYS H . . A . 25 CYS HA . 1 . 25 CYSH HN . . . 1 . 25 CYSH HA . . rr_1k18 1 155 1 . . 1 1 25 25 CYS H H . . . 1 1 25 25 CYS HB3 H . . . . . . 2.655 2.912 . . . . . A . 25 CYS H . . A . 25 CYS HB3 . 1 . 25 CYSH HN . . . 1 . 25 CYSH HB1 . . rr_1k18 1 156 1 . . 1 1 25 25 CYS HA H . . . 1 1 25 25 CYS HB3 H . . . . . . 2.373 2.600 . . . . . A . 25 CYS HA . . A . 25 CYS HB3 . 1 . 25 CYSH HA . . . 1 . 25 CYSH HB1 . . rr_1k18 1 157 1 OR . 1 1 26 26 PRO HA H . . . 1 1 26 26 PRO HB2 H . . . . . . 2.665 2.888 . . . . . A . 26 PRO HA . . A . 26 PRO HB2 . 1 . 26 PRO HA . . . 1 . 26 PRO HB* . . rr_1k18 1 157 2 OR . 1 1 26 26 PRO HB3 H . . . 1 1 26 26 PRO HA H . . . . . . 2.665 2.888 . . . . . A . 26 PRO HB3 . . A . 26 PRO HA . 1 . 26 PRO HB* . . . 1 . 26 PRO HA . . rr_1k18 1 158 1 OR . 1 1 26 26 PRO HA H . . . 1 1 26 26 PRO HG2 H . . . . . . 3.195 3.447 . . . . . A . 26 PRO HA . . A . 26 PRO HG2 . 1 . 26 PRO HA . . . 1 . 26 PRO HG* . . rr_1k18 1 158 2 OR . 1 1 26 26 PRO HA H . . . 1 1 26 26 PRO HG3 H . . . . . . 3.195 3.447 . . . . . A . 26 PRO HA . . A . 26 PRO HG3 . 1 . 26 PRO HA . . . 1 . 26 PRO HG* . . rr_1k18 1 159 1 OR . 1 1 26 26 PRO HD2 H . . . 1 1 23 23 PRO HB2 H . . . . . . 3.685 4.102 . . . . . A . 26 PRO HD2 . . A . 23 PRO HB2 . 1 . 26 PRO HD2 . . . 1 . 23 PRO HB* . . rr_1k18 1 159 2 OR . 1 1 23 23 PRO HB3 H . . . 1 1 26 26 PRO HD2 H . . . . . . 3.685 4.102 . . . . . A . 23 PRO HB3 . . A . 26 PRO HD2 . 1 . 23 PRO HB* . . . 1 . 26 PRO HD2 . . rr_1k18 1 160 1 . . 1 1 26 26 PRO HD2 H . . . 1 1 25 25 CYS HB2 H . . . . . . 3.572 4.033 . . . . . A . 26 PRO HD2 . . A . 25 CYS HB2 . 1 . 26 PRO HD2 . . . 1 . 25 CYSH HB2 . . rr_1k18 1 161 1 OR . 1 1 27 27 ALA H H . . . 1 1 22 22 GLY HA2 H . . . . . . 2.909 3.156 . . . . . A . 27 ALA H . . A . 22 GLY HA2 . 1 . 27 ALA HN . . . 1 . 22 GLY HA* . . rr_1k18 1 161 2 OR . 1 1 22 22 GLY HA3 H . . . 1 1 27 27 ALA H H . . . . . . 2.909 3.156 . . . . . A . 22 GLY HA3 . . A . 27 ALA H . 1 . 22 GLY HA* . . . 1 . 27 ALA HN . . rr_1k18 1 162 1 . . 1 1 24 24 LEU HA H . . . 1 1 27 27 ALA H H . . . . . . 4.204 4.519 . . . . . A . 24 LEU HA . . A . 27 ALA H . 1 . 24 LEU HA . . . 1 . 27 ALA HN . . rr_1k18 1 163 1 . . 1 1 25 25 CYS HA H . . . 1 1 27 27 ALA H H . . . . . . 3.301 3.706 . . . . . A . 25 CYS HA . . A . 27 ALA H . 1 . 25 CYSH HA . . . 1 . 27 ALA HN . . rr_1k18 1 164 1 . . 1 1 26 26 PRO HA H . . . 1 1 27 27 ALA H H . . . . . . 3.385 3.864 . . . . . A . 26 PRO HA . . A . 27 ALA H . 1 . 26 PRO HA . . . 1 . 27 ALA HN . . rr_1k18 1 165 1 OR . 1 1 27 27 ALA MB H . . . 1 1 22 22 GLY HA2 H . . . . . . 4.108 4.406 . . . . . A . 27 ALA MB . . A . 22 GLY HA2 . 1 . 27 ALA HB* . . . 1 . 22 GLY HA* . . rr_1k18 1 165 2 OR . 1 1 22 22 GLY HA3 H . . . 1 1 27 27 ALA MB H . . . . . . 4.108 4.406 . . . . . A . 22 GLY HA3 . . A . 27 ALA MB . 1 . 22 GLY HA* . . . 1 . 27 ALA HB* . . rr_1k18 1 166 1 . . 1 1 24 24 LEU MD1 H . . . 1 1 27 27 ALA MB H . . . . . . 4.903 5.540 . . . . . A . 24 LEU MD1 . . A . 27 ALA MB . 1 . 24 LEU HD1* . . . 1 . 27 ALA HB* . . rr_1k18 1 167 1 . . 1 1 27 27 ALA H H . . . 1 1 27 27 ALA MB H . . . . . . 3.390 3.719 . . . . . A . 27 ALA H . . A . 27 ALA MB . 1 . 27 ALA HN . . . 1 . 27 ALA HB* . . rr_1k18 1 168 1 OR . 1 1 28 28 CYS H H . . . 1 1 22 22 GLY HA2 H . . . . . . 3.174 3.455 . . . . . A . 28 CYS H . . A . 22 GLY HA2 . 1 . 28 CYSH HN . . . 1 . 22 GLY HA* . . rr_1k18 1 168 2 OR . 1 1 22 22 GLY HA3 H . . . 1 1 28 28 CYS H H . . . . . . 3.174 3.455 . . . . . A . 22 GLY HA3 . . A . 28 CYS H . 1 . 22 GLY HA* . . . 1 . 28 CYSH HN . . rr_1k18 1 169 1 OR . 1 1 28 28 CYS H H . . . 1 1 24 24 LEU HB2 H . . . . . . 4.279 5.091 . . . . . A . 28 CYS H . . A . 24 LEU HB2 . 1 . 28 CYSH HN . . . 1 . 24 LEU HB* . . rr_1k18 1 169 2 OR . 1 1 24 24 LEU HB3 H . . . 1 1 28 28 CYS H H . . . . . . 4.279 5.091 . . . . . A . 24 LEU HB3 . . A . 28 CYS H . 1 . 24 LEU HB* . . . 1 . 28 CYSH HN . . rr_1k18 1 170 1 . . 1 1 24 24 LEU HG H . . . 1 1 28 28 CYS H H . . . . . . 3.623 3.981 . . . . . A . 24 LEU HG . . A . 28 CYS H . 1 . 24 LEU HG . . . 1 . 28 CYSH HN . . rr_1k18 1 171 1 . . 1 1 25 25 CYS HA H . . . 1 1 28 28 CYS H H . . . . . . 3.018 3.305 . . . . . A . 25 CYS HA . . A . 28 CYS H . 1 . 25 CYSH HA . . . 1 . 28 CYSH HN . . rr_1k18 1 172 1 . . 1 1 28 28 CYS H H . . . 1 1 27 27 ALA HA H . . . . . . 2.496 2.732 . . . . . A . 28 CYS H . . A . 27 ALA HA . 1 . 28 CYSH HN . . . 1 . 27 ALA HA . . rr_1k18 1 173 1 . . 1 1 24 24 LEU MD2 H . . . 1 1 28 28 CYS HA H . . . . . . 4.137 4.631 . . . . . A . 24 LEU MD2 . . A . 28 CYS HA . 1 . 24 LEU HD2* . . . 1 . 28 CYSH HA . . rr_1k18 1 174 1 . . 1 1 25 25 CYS H H . . . 1 1 28 28 CYS HA H . . . . . . 3.374 3.757 . . . . . A . 25 CYS H . . A . 28 CYS HA . 1 . 25 CYSH HN . . . 1 . 28 CYSH HA . . rr_1k18 1 175 1 OR . 1 1 24 24 LEU HA H . . . 1 1 28 28 CYS HB2 H . . . . . . 4.456 4.959 . . . . . A . 24 LEU HA . . A . 28 CYS HB2 . 1 . 24 LEU HA . . . 1 . 28 CYSH HB* . . rr_1k18 1 175 2 OR . 1 1 24 24 LEU HA H . . . 1 1 28 28 CYS HB3 H . . . . . . 4.456 4.959 . . . . . A . 24 LEU HA . . A . 28 CYS HB3 . 1 . 24 LEU HA . . . 1 . 28 CYSH HB* . . rr_1k18 1 176 1 . . 1 1 28 28 CYS HA H . . . 1 1 29 29 MET H H . . . . . . 3.399 3.911 . . . . . A . 28 CYS HA . . A . 29 MET H . 1 . 28 CYSH HA . . . 1 . 29 MET HN . . rr_1k18 1 177 1 . . 1 1 29 29 MET H H . . . 1 1 29 29 MET HA H . . . . . . 2.904 3.191 . . . . . A . 29 MET H . . A . 29 MET HA . 1 . 29 MET HN . . . 1 . 29 MET HA . . rr_1k18 1 178 1 OR . 1 1 1 1 ILE MG H . . . 1 1 29 29 MET HG2 H . . . . . . 4.422 4.750 . . . . . A . 1 ILE MG . . A . 29 MET HG2 . 1 . 1 ILEn HG2* . . . 1 . 29 MET HG* . . rr_1k18 1 178 2 OR . 1 1 1 1 ILE MG H . . . 1 1 29 29 MET HG3 H . . . . . . 4.422 4.750 . . . . . A . 1 ILE MG . . A . 29 MET HG3 . 1 . 1 ILEn HG2* . . . 1 . 29 MET HG* . . rr_1k18 1 179 1 . . 1 1 7 7 CYS HA H . . . 1 1 29 29 MET ME H . . . . . . 2.962 3.212 . . . . . A . 7 CYS HA . . A . 29 MET ME . 1 . 7 CYSH HA . . . 1 . 29 MET HE* . . rr_1k18 1 180 1 . . 1 1 11 11 THR HA H . . . 1 1 29 29 MET ME H . . . . . . 3.318 3.588 . . . . . A . 11 THR HA . . A . 29 MET ME . 1 . 11 THR HA . . . 1 . 29 MET HE* . . rr_1k18 1 181 1 OR . 1 1 29 29 MET ME H . . . 1 1 24 24 LEU HB2 H . . . . . . 4.369 4.684 . . . . . A . 29 MET ME . . A . 24 LEU HB2 . 1 . 29 MET HE* . . . 1 . 24 LEU HB* . . rr_1k18 1 181 2 OR . 1 1 24 24 LEU HB3 H . . . 1 1 29 29 MET ME H . . . . . . 4.369 4.684 . . . . . A . 24 LEU HB3 . . A . 29 MET ME . 1 . 24 LEU HB* . . . 1 . 29 MET HE* . . rr_1k18 1 182 1 . . 1 1 29 29 MET HA H . . . 1 1 29 29 MET ME H . . . . . . 3.321 3.630 . . . . . A . 29 MET HA . . A . 29 MET ME . 1 . 29 MET HA . . . 1 . 29 MET HE* . . rr_1k18 1 183 1 OR . 1 1 29 29 MET ME H . . . 1 1 29 29 MET HG2 H . . . . . . 3.449 3.707 . . . . . A . 29 MET ME . . A . 29 MET HG2 . 1 . 29 MET HE* . . . 1 . 29 MET HG* . . rr_1k18 1 183 2 OR . 1 1 29 29 MET HG3 H . . . 1 1 29 29 MET ME H . . . . . . 3.449 3.707 . . . . . A . 29 MET HG3 . . A . 29 MET ME . 1 . 29 MET HG* . . . 1 . 29 MET HE* . . rr_1k18 1 184 1 . . 1 1 29 29 MET HA H . . . 1 1 30 30 LYS H H . . . . . . 2.496 2.739 . . . . . A . 29 MET HA . . A . 30 LYS H . 1 . 29 MET HA . . . 1 . 30 LYS HN . . rr_1k18 1 185 1 . . 1 1 30 30 LYS H H . . . 1 1 30 30 LYS HA H . . . . . . 2.659 2.928 . . . . . A . 30 LYS H . . A . 30 LYS HA . 1 . 30 LYS HN . . . 1 . 30 LYS HA . . rr_1k18 1 186 1 . . 1 1 30 30 LYS HA H . . . 1 1 30 30 LYS HB3 H . . . . . . 2.863 3.143 . . . . . A . 30 LYS HA . . A . 30 LYS HB3 . 1 . 30 LYS HA . . . 1 . 30 LYS HB1 . . rr_1k18 1 187 1 OR . 1 1 30 30 LYS HD2 H . . . 1 1 30 30 LYS HE2 H . . . . . . 2.554 2.767 . . . . . A . 30 LYS HD2 . . A . 30 LYS HE2 . 1 . 30 LYS HD* . . . 1 . 30 LYS HE* . . rr_1k18 1 187 2 OR . 1 1 30 30 LYS HD3 H . . . 1 1 30 30 LYS HE2 H . . . . . . 2.554 2.767 . . . . . A . 30 LYS HD3 . . A . 30 LYS HE2 . 1 . 30 LYS HD* . . . 1 . 30 LYS HE* . . rr_1k18 1 187 3 OR . 1 1 30 30 LYS HE3 H . . . 1 1 30 30 LYS HD2 H . . . . . . 2.554 2.767 . . . . . A . 30 LYS HE3 . . A . 30 LYS HD2 . 1 . 30 LYS HE* . . . 1 . 30 LYS HD* . . rr_1k18 1 187 4 OR . 1 1 30 30 LYS HE3 H . . . 1 1 30 30 LYS HD3 H . . . . . . 2.554 2.767 . . . . . A . 30 LYS HE3 . . A . 30 LYS HD3 . 1 . 30 LYS HE* . . . 1 . 30 LYS HD* . . rr_1k18 1 188 1 . . 1 1 30 30 LYS HA H . . . 1 1 31 31 ALA MB H . . . . . . 4.496 5.868 . . . . . A . 30 LYS HA . . A . 31 ALA MB . 1 . 30 LYS HA . . . 1 . 31 ALA HB* . . rr_1k18 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 'BIOSYM restraint 1 distance' 1 1 3 9 rr_1k18 1 stop_ save_ save_Discover_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID rr_1k18 _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_1k18 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 2 2 CYS SG S . . . 1 1 7 7 CYS SG S . . . . . . 3.82 3.84 . . . . . A . 2 CYS SG . . A . 7 CYS SG . 1 . 2 CYSH SG . . . 1 . 7 CYSH SG . . rr_1k18 2 2 1 . . 1 1 2 2 CYS SG S . . . 1 1 25 25 CYS SG S . . . . . . 3.82 3.84 . . . . . A . 2 CYS SG . . A . 25 CYS SG . 1 . 2 CYSH SG . . . 1 . 25 CYSH SG . . rr_1k18 2 3 1 . . 1 1 2 2 CYS SG S . . . 1 1 28 28 CYS SG S . . . . . . 3.82 3.84 . . . . . A . 2 CYS SG . . A . 28 CYS SG . 1 . 2 CYSH SG . . . 1 . 28 CYSH SG . . rr_1k18 2 4 1 . . 1 1 7 7 CYS SG S . . . 1 1 25 25 CYS SG S . . . . . . 3.82 3.84 . . . . . A . 7 CYS SG . . A . 25 CYS SG . 1 . 7 CYSH SG . . . 1 . 25 CYSH SG . . rr_1k18 2 5 1 . . 1 1 7 7 CYS SG S . . . 1 1 28 28 CYS SG S . . . . . . 3.82 3.84 . . . . . A . 7 CYS SG . . A . 28 CYS SG . 1 . 7 CYSH SG . . . 1 . 28 CYSH SG . . rr_1k18 2 6 1 . . 1 1 25 25 CYS SG S . . . 1 1 28 28 CYS SG S . . . . . . 3.82 3.84 . . . . . A . 25 CYS SG . . A . 28 CYS SG . 1 . 25 CYSH SG . . . 1 . 28 CYSH SG . . rr_1k18 2 stop_ save_ save_Discover_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID rr_1k18 _Gen_dist_constraint_list.ID 3 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 4 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_1k18 3 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 6 6 THR O O . . . 1 1 10 10 ARG N N . . . . . . 2.85 2.95 . . . . . A . 6 THR O . . A . 10 ARG N . 1 . 6 THR O . . . 1 . 10 ARG N . . rr_1k18 3 2 1 . . 1 1 7 7 CYS O O . . . 1 1 11 11 THR N N . . . . . . 2.85 2.95 . . . . . A . 7 CYS O . . A . 11 THR N . 1 . 7 CYSH O . . . 1 . 11 THR N . . rr_1k18 3 3 1 . . 1 1 8 8 ARG O O . . . 1 1 12 12 ARG N N . . . . . . 2.85 2.95 . . . . . A . 8 ARG O . . A . 12 ARG N . 1 . 8 ARG O . . . 1 . 12 ARG N . . rr_1k18 3 4 1 . . 1 1 9 9 ASN O O . . . 1 1 13 13 HIS N N . . . . . . 2.85 2.95 . . . . . A . 9 ASN O . . A . 13 HIS N . 1 . 9 ASN O . . . 1 . 13 HIS N . . rr_1k18 3 5 1 . . 1 1 10 10 ARG O O . . . 1 1 14 14 LEU N N . . . . . . 2.85 2.95 . . . . . A . 10 ARG O . . A . 14 LEU N . 1 . 10 ARG O . . . 1 . 14 LEU N . . rr_1k18 3 stop_ save_ save_Discover_dihedral_6 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode Discover_dihedral_6 _Torsion_angle_constraint_list.Entry_ID rr_1k18 _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 6 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_1k18 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 16 16 LEU H H . . 1 1 16 16 LEU N N . . 1 1 16 16 LEU CA C . . 1 1 16 16 LEU HA H . 155.0 205.0 . . . A . 16 LEU H . . A . 16 LEU N . . A . 16 LEU CA . . A . 16 LEU HA . 1 . 16 LEU HN . . . 1 . 16 LEU N . . . 1 . 16 LEU CA . . . 1 . 16 LEU HA . . rr_1k18 1 2 . . 1 1 17 17 GLN H H . . 1 1 17 17 GLN N N . . 1 1 17 17 GLN CA C . . 1 1 17 17 GLN HA H . 155.0 205.0 . . . A . 17 GLN H . . A . 17 GLN N . . A . 17 GLN CA . . A . 17 GLN HA . 1 . 17 GLN HN . . . 1 . 17 GLN N . . . 1 . 17 GLN CA . . . 1 . 17 GLN HA . . rr_1k18 1 3 . . 1 1 18 18 PHE H H . . 1 1 18 18 PHE N N . . 1 1 18 18 PHE CA C . . 1 1 18 18 PHE HA H . 155.0 205.0 . . . A . 18 PHE H . . A . 18 PHE N . . A . 18 PHE CA . . A . 18 PHE HA . 1 . 18 PHE HN . . . 1 . 18 PHE N . . . 1 . 18 PHE CA . . . 1 . 18 PHE HA . . rr_1k18 1 4 . . 1 1 19 19 SER H H . . 1 1 19 19 SER N N . . 1 1 19 19 SER CA C . . 1 1 19 19 SER HA H . 155.0 205.0 . . . A . 19 SER H . . A . 19 SER N . . A . 19 SER CA . . A . 19 SER HA . 1 . 19 SER HN . . . 1 . 19 SER N . . . 1 . 19 SER CA . . . 1 . 19 SER HA . . rr_1k18 1 5 . . 1 1 20 20 ARG H H . . 1 1 20 20 ARG N N . . 1 1 20 20 ARG CA C . . 1 1 20 20 ARG HA H . 155.0 205.0 . . . A . 20 ARG H . . A . 20 ARG N . . A . 20 ARG CA . . A . 20 ARG HA . 1 . 20 ARG HN . . . 1 . 20 ARG N . . . 1 . 20 ARG CA . . . 1 . 20 ARG HA . . rr_1k18 1 6 . . 1 1 30 30 LYS H H . . 1 1 30 30 LYS N N . . 1 1 30 30 LYS CA C . . 1 1 30 30 LYS HA H . 155.0 205.0 . . . A . 30 LYS H . . A . 30 LYS N . . A . 30 LYS CA . . A . 30 LYS HA . 1 . 30 LYS HN . . . 1 . 30 LYS N . . . 1 . 30 LYS CA . . . 1 . 30 LYS HA . . rr_1k18 1 7 . . 1 1 6 6 THR H H . . 1 1 6 6 THR N N . . 1 1 6 6 THR CA C . . 1 1 6 6 THR HA H . -70.0 -50.0 . . . A . 6 THR H . . A . 6 THR N . . A . 6 THR CA . . A . 6 THR HA . 1 . 6 THR HN . . . 1 . 6 THR N . . . 1 . 6 THR CA . . . 1 . 6 THR HA . . rr_1k18 1 8 . . 1 1 7 7 CYS H H . . 1 1 7 7 CYS N N . . 1 1 7 7 CYS CA C . . 1 1 7 7 CYS HA H . -70.0 -50.0 . . . A . 7 CYS H . . A . 7 CYS N . . A . 7 CYS CA . . A . 7 CYS HA . 1 . 7 CYSH HN . . . 1 . 7 CYSH N . . . 1 . 7 CYSH CA . . . 1 . 7 CYSH HA . . rr_1k18 1 9 . . 1 1 8 8 ARG H H . . 1 1 8 8 ARG N N . . 1 1 8 8 ARG CA C . . 1 1 8 8 ARG HA H . -70.0 -50.0 . . . A . 8 ARG H . . A . 8 ARG N . . A . 8 ARG CA . . A . 8 ARG HA . 1 . 8 ARG HN . . . 1 . 8 ARG N . . . 1 . 8 ARG CA . . . 1 . 8 ARG HA . . rr_1k18 1 10 . . 1 1 9 9 ASN H H . . 1 1 9 9 ASN N N . . 1 1 9 9 ASN CA C . . 1 1 9 9 ASN HA H . -70.0 -50.0 . . . A . 9 ASN H . . A . 9 ASN N . . A . 9 ASN CA . . A . 9 ASN HA . 1 . 9 ASN HN . . . 1 . 9 ASN N . . . 1 . 9 ASN CA . . . 1 . 9 ASN HA . . rr_1k18 1 11 . . 1 1 10 10 ARG H H . . 1 1 10 10 ARG N N . . 1 1 10 10 ARG CA C . . 1 1 10 10 ARG HA H . -70.0 -50.0 . . . A . 10 ARG H . . A . 10 ARG N . . A . 10 ARG CA . . A . 10 ARG HA . 1 . 10 ARG HN . . . 1 . 10 ARG N . . . 1 . 10 ARG CA . . . 1 . 10 ARG HA . . rr_1k18 1 12 . . 1 1 11 11 THR H H . . 1 1 11 11 THR N N . . 1 1 11 11 THR CA C . . 1 1 11 11 THR HA H . -70.0 -50.0 . . . A . 11 THR H . . A . 11 THR N . . A . 11 THR CA . . A . 11 THR HA . 1 . 11 THR HN . . . 1 . 11 THR N . . . 1 . 11 THR CA . . . 1 . 11 THR HA . . rr_1k18 1 13 . . 1 1 12 12 ARG H H . . 1 1 12 12 ARG N N . . 1 1 12 12 ARG CA C . . 1 1 12 12 ARG HA H . -70.0 -50.0 . . . A . 12 ARG H . . A . 12 ARG N . . A . 12 ARG CA . . A . 12 ARG HA . 1 . 12 ARG HN . . . 1 . 12 ARG N . . . 1 . 12 ARG CA . . . 1 . 12 ARG HA . . rr_1k18 1 14 . . 1 1 13 13 HIS H H . . 1 1 13 13 HIS N N . . 1 1 13 13 HIS CA C . . 1 1 13 13 HIS HA H . -70.0 -50.0 . . . A . 13 HIS H . . A . 13 HIS N . . A . 13 HIS CA . . A . 13 HIS HA . 1 . 13 HIS HN . . . 1 . 13 HIS N . . . 1 . 13 HIS CA . . . 1 . 13 HIS HA . . rr_1k18 1 15 . . 1 1 14 14 LEU H H . . 1 1 14 14 LEU N N . . 1 1 14 14 LEU CA C . . 1 1 14 14 LEU HA H . -70.0 -50.0 . . . A . 14 LEU H . . A . 14 LEU N . . A . 14 LEU CA . . A . 14 LEU HA . 1 . 14 LEU HN . . . 1 . 14 LEU N . . . 1 . 14 LEU CA . . . 1 . 14 LEU HA . . rr_1k18 1 16 . . 1 1 6 6 THR O O . . 1 1 6 6 THR C C . . 1 1 6 6 THR CA C . . 1 1 6 6 THR HA H . -55.0 -45.0 . . . A . 6 THR O . . A . 6 THR C . . A . 6 THR CA . . A . 6 THR HA . 1 . 6 THR O . . . 1 . 6 THR C . . . 1 . 6 THR CA . . . 1 . 6 THR HA . . rr_1k18 1 17 . . 1 1 7 7 CYS O O . . 1 1 7 7 CYS C C . . 1 1 7 7 CYS CA C . . 1 1 7 7 CYS HA H . -55.0 -45.0 . . . A . 7 CYS O . . A . 7 CYS C . . A . 7 CYS CA . . A . 7 CYS HA . 1 . 7 CYSH O . . . 1 . 7 CYSH C . . . 1 . 7 CYSH CA . . . 1 . 7 CYSH HA . . rr_1k18 1 18 . . 1 1 8 8 ARG O O . . 1 1 8 8 ARG C C . . 1 1 8 8 ARG CA C . . 1 1 8 8 ARG HA H . -55.0 -45.0 . . . A . 8 ARG O . . A . 8 ARG C . . A . 8 ARG CA . . A . 8 ARG HA . 1 . 8 ARG O . . . 1 . 8 ARG C . . . 1 . 8 ARG CA . . . 1 . 8 ARG HA . . rr_1k18 1 19 . . 1 1 9 9 ASN O O . . 1 1 9 9 ASN C C . . 1 1 9 9 ASN CA C . . 1 1 9 9 ASN HA H . -55.0 -45.0 . . . A . 9 ASN O . . A . 9 ASN C . . A . 9 ASN CA . . A . 9 ASN HA . 1 . 9 ASN O . . . 1 . 9 ASN C . . . 1 . 9 ASN CA . . . 1 . 9 ASN HA . . rr_1k18 1 20 . . 1 1 10 10 ARG O O . . 1 1 10 10 ARG C C . . 1 1 10 10 ARG CA C . . 1 1 10 10 ARG HA H . -55.0 -45.0 . . . A . 10 ARG O . . A . 10 ARG C . . A . 10 ARG CA . . A . 10 ARG HA . 1 . 10 ARG O . . . 1 . 10 ARG C . . . 1 . 10 ARG CA . . . 1 . 10 ARG HA . . rr_1k18 1 21 . . 1 1 11 11 THR O O . . 1 1 11 11 THR C C . . 1 1 11 11 THR CA C . . 1 1 11 11 THR HA H . -55.0 -45.0 . . . A . 11 THR O . . A . 11 THR C . . A . 11 THR CA . . A . 11 THR HA . 1 . 11 THR O . . . 1 . 11 THR C . . . 1 . 11 THR CA . . . 1 . 11 THR HA . . rr_1k18 1 22 . . 1 1 12 12 ARG O O . . 1 1 12 12 ARG C C . . 1 1 12 12 ARG CA C . . 1 1 12 12 ARG HA H . -55.0 -45.0 . . . A . 12 ARG O . . A . 12 ARG C . . A . 12 ARG CA . . A . 12 ARG HA . 1 . 12 ARG O . . . 1 . 12 ARG C . . . 1 . 12 ARG CA . . . 1 . 12 ARG HA . . rr_1k18 1 23 . . 1 1 13 13 HIS O O . . 1 1 13 13 HIS C C . . 1 1 13 13 HIS CA C . . 1 1 13 13 HIS HA H . -55.0 -45.0 . . . A . 13 HIS O . . A . 13 HIS C . . A . 13 HIS CA . . A . 13 HIS HA . 1 . 13 HIS O . . . 1 . 13 HIS C . . . 1 . 13 HIS CA . . . 1 . 13 HIS HA . . rr_1k18 1 24 . . 1 1 14 14 LEU O O . . 1 1 14 14 LEU C C . . 1 1 14 14 LEU CA C . . 1 1 14 14 LEU HA H . -55.0 -45.0 . . . A . 14 LEU O . . A . 14 LEU C . . A . 14 LEU CA . . A . 14 LEU HA . 1 . 14 LEU O . . . 1 . 14 LEU C . . . 1 . 14 LEU CA . . . 1 . 14 LEU HA . . rr_1k18 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 3J_dihedral 1 1 1 12 rr_1k18 1 2 'A=6.700, B=-1.300, C=1.500' 2 124 2 150 rr_1k18 1 3 'A=6.700, B=-1.300, C=1.50' 3 124 3 149 rr_1k18 1 4 'A=6.700, B=-1.300, C=1.50' 4 124 4 149 rr_1k18 1 5 'A=6.700, B=-1.300, C=1.500' 5 124 5 150 rr_1k18 1 6 'A=6.700, B=-1.300, C=1.500' 6 124 6 150 rr_1k18 1 7 'A=6.700, B=-1.300, C=1.500' 7 124 7 150 rr_1k18 1 8 'A=6.700, B=-1.300, C=1.500' 8 124 8 150 rr_1k18 1 9 'A=6.700, B=-1.300, C=1.500' 9 124 9 152 rr_1k18 1 10 'A=6.700, B=-1.300, C=1.500' 10 124 10 150 rr_1k18 1 11 'A=6.700, B=-1.300, C=1.500' 11 124 11 150 rr_1k18 1 12 'A=6.700, B=-1.300, C=1.500' 12 124 12 150 rr_1k18 1 13 'A=6.700, B=-1.300, C=1.500' 13 124 13 150 rr_1k18 1 14 'A=6.700, B=-1.300, C=1.500' 14 124 14 150 rr_1k18 1 15 'A=6.700, B=-1.300, C=1.500' 15 124 15 150 rr_1k18 1 16 'A=6.700, B=-1.300, C=1.500' 16 124 16 150 rr_1k18 1 17 'A=6.700, B=-1.300, C=1.500' 17 124 17 150 rr_1k18 1 18 'A=6.700, B=-1.300, C=1.500' 18 124 18 152 rr_1k18 1 19 'A=6.700, B=-1.300, C=1.500' 19 124 19 150 rr_1k18 1 20 'A=6.700, B=-1.300, C=1.500' 20 124 20 150 rr_1k18 1 21 'A=6.700, B=-1.300, C=1.500' 21 124 21 150 rr_1k18 1 22 'A=6.700, B=-1.300, C=1.500' 22 124 22 150 rr_1k18 1 23 'A=6.700, B=-1.300, C=1.500' 23 124 23 150 rr_1k18 1 24 'A=6.700, B=-1.300, C=1.500' 24 124 24 150 rr_1k18 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_1k18 _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 TRANSFERASE 24-SEP-01 1K18 *TITLE MINIMIZED AVERAGE NMR STRUCTURE OF THE ZINC FINGER DOMAIN *TITLE 2 OF HUMAN DNA POLYMERASE-ALPHA *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DNA POLYMERASE ALPHA CATALYTIC SUBUNIT; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: ZINC FINGER DOMAIN (RESIDUES 1347-1377); *COMPND 5 EC: 2.7.7.7; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THE SEQUENCE OCCURS NATURALLY IN HUMANS. *KEYWDS ZINC FINGER PROTEIN, DNA BINDING DOMAIN, POLYMERASE-ALPHA *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR W.W.YANG, F.EVANICS, S.BASU, R.N.BOSE *REVDAT 1 24-JUN-03 1K18 0' save_ save_MR_file_comment_5 _Org_constr_file_comment.Sf_framecode MR_file_comment_5 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1k18 _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 5 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; ! #mixing_times -9.990000E+02 ! ; save_