data_Remediated_restraints_file_for_PDB_entry_1kb7 # This BMRB archive file contains, for PDB entry 1kb7: # # - 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_1kb7 _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1kb7' _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 1kb7' _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 1kb7 'Master copy' rr_1kb7 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1kb7 _Assembly.ID 1 _Assembly.Name 1kb7 _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 1826.9889 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 'KB7 PILIN TRANS' 1 $KB7_PILIN__TRANS A . no . . . . . . rr_1kb7 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KB7_PILIN__TRANS _Entity.Sf_category entity _Entity.Sf_framecode KB7_PILIN__TRANS _Entity.Entry_ID rr_1kb7 _Entity.ID 1 _Entity.Name KB7_PILIN__TRANS _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code XSCATTVDAKFRPNGCTD _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality yes _Entity.Nstd_linkage yes _Entity.Number_of_monomers 18 _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 1826.9889 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 . ACE . rr_1kb7 1 2 . SER . rr_1kb7 1 3 . CYS . rr_1kb7 1 4 . ALA . rr_1kb7 1 5 . THR . rr_1kb7 1 6 . THR . rr_1kb7 1 7 . VAL . rr_1kb7 1 8 . ASP . rr_1kb7 1 9 . ALA . rr_1kb7 1 10 . LYS . rr_1kb7 1 11 . PHE . rr_1kb7 1 12 . ARG . rr_1kb7 1 13 . PRO . rr_1kb7 1 14 . ASN . rr_1kb7 1 15 . GLY . rr_1kb7 1 16 . CYS . rr_1kb7 1 17 . THR . rr_1kb7 1 18 . ASP . rr_1kb7 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 . ACE 1 1 rr_1kb7 1 . SER 2 2 rr_1kb7 1 . CYS 3 3 rr_1kb7 1 . ALA 4 4 rr_1kb7 1 . THR 5 5 rr_1kb7 1 . THR 6 6 rr_1kb7 1 . VAL 7 7 rr_1kb7 1 . ASP 8 8 rr_1kb7 1 . ALA 9 9 rr_1kb7 1 . LYS 10 10 rr_1kb7 1 . PHE 11 11 rr_1kb7 1 . ARG 12 12 rr_1kb7 1 . PRO 13 13 rr_1kb7 1 . ASN 14 14 rr_1kb7 1 . GLY 15 15 rr_1kb7 1 . CYS 16 16 rr_1kb7 1 . THR 17 17 rr_1kb7 1 . ASP 18 18 rr_1kb7 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID rr_1kb7 _Chem_comp.ID ACE _Chem_comp.Name 'ACETYL GROUP' _Chem_comp.Type non-polymer _Chem_comp.PDB_code ACE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C2 H3 O' _Chem_comp.Formula_weight 43.0451 loop_ _Chem_comp_common_name.Name _Chem_comp_common_name.Type _Chem_comp_common_name.Entry_ID _Chem_comp_common_name.Comp_ID acetaldehyde name rr_1kb7 ACE 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_1kb7 _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_1kb7 _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_1kb7 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_1kb7 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 ACE C C -4.295 -7.072 -3.029 . . . 1.0 . . . . . . . . . . . . A . 127 ACE C . . . . . . . . . rr_1kb7 1 . 1 . 2 . 1 1 1 ACE CH3 C -4.119 -8.026 -4.210 . . . 1.0 . . . . . . . . . . . . A . 127 ACE CH3 . . . . . . . . . rr_1kb7 1 . 1 . 3 . 1 1 1 ACE H1 H -4.085 -9.081 -3.878 . . . 1.0 . . . . . . . . . . . . A . 127 ACE H1 . . . . . . . . . rr_1kb7 1 . 1 . 4 . 1 1 1 ACE H2 H -3.186 -7.815 -4.766 . . . 1.0 . . . . . . . . . . . . A . 127 ACE H2 . . . . . . . . . rr_1kb7 1 . 1 . 5 . 1 1 1 ACE H3 H -4.955 -7.935 -4.927 . . . 1.0 . . . . . . . . . . . . A . 127 ACE H3 . . . . . . . . . rr_1kb7 1 . 1 . 6 . 1 1 1 ACE O O -5.276 -6.326 -2.969 . . . 1.0 . . . . . . . . . . . . A . 127 ACE O . . . . . . . . . rr_1kb7 1 . 1 . 7 . 1 1 2 SER C C -2.528 -4.936 -1.123 . . . 1.0 . . . . . . . . . . . . A . 128 SER C . . . . . . . . . rr_1kb7 1 . 1 . 8 . 1 1 2 SER CA C -3.327 -6.251 -0.891 . . . 1.0 . . . . . . . . . . . . A . 128 SER CA . . . . . . . . . rr_1kb7 1 . 1 . 9 . 1 1 2 SER CB C -2.760 -7.054 0.306 . . . 1.0 . . . . . . . . . . . . A . 128 SER CB . . . . . . . . . rr_1kb7 1 . 1 . 10 . 1 1 2 SER H H -2.548 -7.754 -2.302 . . . 1.0 . . . . . . . . . . . . A . 128 SER H . . . . . . . . . rr_1kb7 1 . 1 . 11 . 1 1 2 SER HA H -4.373 -5.995 -0.625 . . . 1.0 . . . . . . . . . . . . A . 128 SER HA . . . . . . . . . rr_1kb7 1 . 1 . 12 . 1 1 2 SER HB2 H -2.829 -6.454 1.231 . . . 1.0 . . . . . . . . . . . . A . 128 SER HB2 . . . . . . . . . rr_1kb7 1 . 1 . 13 . 1 1 2 SER HB3 H -3.377 -7.956 0.478 . . . 1.0 . . . . . . . . . . . . A . 128 SER HB3 . . . . . . . . . rr_1kb7 1 . 1 . 14 . 1 1 2 SER HG H -1.409 -8.003 -0.683 . . . 1.0 . . . . . . . . . . . . A . 128 SER HG . . . . . . . . . rr_1kb7 1 . 1 . 15 . 1 1 2 SER N N -3.324 -7.113 -2.103 . . . 1.0 . . . . . . . . . . . . A . 128 SER N . . . . . . . . . rr_1kb7 1 . 1 . 16 . 1 1 2 SER O O -1.534 -4.901 -1.858 . . . 1.0 . . . . . . . . . . . . A . 128 SER O . . . . . . . . . rr_1kb7 1 . 1 . 17 . 1 1 2 SER OG O -1.408 -7.457 0.106 . . . 1.0 . . . . . . . . . . . . A . 128 SER OG . . . . . . . . . rr_1kb7 1 . 1 . 18 . 1 1 3 CYS C C -0.867 -2.573 0.197 . . . 1.0 . . . . . . . . . . . . A . 129 CYS C . . . . . . . . . rr_1kb7 1 . 1 . 19 . 1 1 3 CYS CA C -2.275 -2.538 -0.474 . . . 1.0 . . . . . . . . . . . . A . 129 CYS CA . . . . . . . . . rr_1kb7 1 . 1 . 20 . 1 1 3 CYS CB C -3.194 -1.481 0.173 . . . 1.0 . . . . . . . . . . . . A . 129 CYS CB . . . . . . . . . rr_1kb7 1 . 1 . 21 . 1 1 3 CYS H H -3.785 -4.027 0.147 . . . 1.0 . . . . . . . . . . . . A . 129 CYS H . . . . . . . . . rr_1kb7 1 . 1 . 22 . 1 1 3 CYS HA H -2.147 -2.238 -1.531 . . . 1.0 . . . . . . . . . . . . A . 129 CYS HA . . . . . . . . . rr_1kb7 1 . 1 . 23 . 1 1 3 CYS HB2 H -4.174 -1.444 -0.341 . . . 1.0 . . . . . . . . . . . . A . 129 CYS HB2 . . . . . . . . . rr_1kb7 1 . 1 . 24 . 1 1 3 CYS HB3 H -3.394 -1.717 1.235 . . . 1.0 . . . . . . . . . . . . A . 129 CYS HB3 . . . . . . . . . rr_1kb7 1 . 1 . 25 . 1 1 3 CYS N N -2.967 -3.857 -0.448 . . . 1.0 . . . . . . . . . . . . A . 129 CYS N . . . . . . . . . rr_1kb7 1 . 1 . 26 . 1 1 3 CYS O O 0.101 -2.159 -0.446 . . . 1.0 . . . . . . . . . . . . A . 129 CYS O . . . . . . . . . rr_1kb7 1 . 1 . 27 . 1 1 3 CYS SG S -2.427 0.147 0.074 . . . 1.0 . . . . . . . . . . . . A . 129 CYS SG . . . . . . . . . rr_1kb7 1 . 1 . 28 . 1 1 4 ALA C C 1.142 -4.649 1.753 . . . 1.0 . . . . . . . . . . . . A . 130 ALA C . . . . . . . . . rr_1kb7 1 . 1 . 29 . 1 1 4 ALA CA C 0.552 -3.262 2.125 . . . 1.0 . . . . . . . . . . . . A . 130 ALA CA . . . . . . . . . rr_1kb7 1 . 1 . 30 . 1 1 4 ALA CB C 0.354 -3.117 3.644 . . . 1.0 . . . . . . . . . . . . A . 130 ALA CB . . . . . . . . . rr_1kb7 1 . 1 . 31 . 1 1 4 ALA H H -1.631 -3.394 1.867 . . . 1.0 . . . . . . . . . . . . A . 130 ALA H . . . . . . . . . rr_1kb7 1 . 1 . 32 . 1 1 4 ALA HA H 1.247 -2.457 1.818 . . . 1.0 . . . . . . . . . . . . A . 130 ALA HA . . . . . . . . . rr_1kb7 1 . 1 . 33 . 1 1 4 ALA HB1 H 1.309 -3.243 4.186 . . . 1.0 . . . . . . . . . . . . A . 130 ALA HB1 . . . . . . . . . rr_1kb7 1 . 1 . 34 . 1 1 4 ALA HB2 H -0.355 -3.862 4.052 . . . 1.0 . . . . . . . . . . . . A . 130 ALA HB2 . . . . . . . . . rr_1kb7 1 . 1 . 35 . 1 1 4 ALA HB3 H -0.030 -2.114 3.910 . . . 1.0 . . . . . . . . . . . . A . 130 ALA HB3 . . . . . . . . . rr_1kb7 1 . 1 . 36 . 1 1 4 ALA N N -0.750 -3.078 1.445 . . . 1.0 . . . . . . . . . . . . A . 130 ALA N . . . . . . . . . rr_1kb7 1 . 1 . 37 . 1 1 4 ALA O O 0.632 -5.694 2.172 . . . 1.0 . . . . . . . . . . . . A . 130 ALA O . . . . . . . . . rr_1kb7 1 . 1 . 38 . 1 1 5 THR C C 4.429 -5.615 0.567 . . . 1.0 . . . . . . . . . . . . A . 131 THR C . . . . . . . . . rr_1kb7 1 . 1 . 39 . 1 1 5 THR CA C 2.892 -5.853 0.435 . . . 1.0 . . . . . . . . . . . . A . 131 THR CA . . . . . . . . . rr_1kb7 1 . 1 . 40 . 1 1 5 THR CB C 2.402 -6.215 -1.006 . . . 1.0 . . . . . . . . . . . . A . 131 THR CB . . . . . . . . . rr_1kb7 1 . 1 . 41 . 1 1 5 THR CG2 C 2.941 -7.559 -1.522 . . . 1.0 . . . . . . . . . . . . A . 131 THR CG2 . . . . . . . . . rr_1kb7 1 . 1 . 42 . 1 1 5 THR H H 2.503 -3.690 0.637 . . . 1.0 . . . . . . . . . . . . A . 131 THR H . . . . . . . . . rr_1kb7 1 . 1 . 43 . 1 1 5 THR HA H 2.645 -6.710 1.094 . . . 1.0 . . . . . . . . . . . . A . 131 THR HA . . . . . . . . . rr_1kb7 1 . 1 . 44 . 1 1 5 THR HB H 2.709 -5.419 -1.709 . . . 1.0 . . . . . . . . . . . . A . 131 THR HB . . . . . . . . . rr_1kb7 1 . 1 . 45 . 1 1 5 THR HG1 H 0.648 -5.452 -0.767 . . . 1.0 . . . . . . . . . . . . A . 131 THR HG1 . . . . . . . . . rr_1kb7 1 . 1 . 46 . 1 1 5 THR HG21 H 4.044 -7.563 -1.586 . . . 1.0 . . . . . . . . . . . . A . 131 THR HG21 . . . . . . . . . rr_1kb7 1 . 1 . 47 . 1 1 5 THR HG22 H 2.557 -7.780 -2.535 . . . 1.0 . . . . . . . . . . . . A . 131 THR HG22 . . . . . . . . . rr_1kb7 1 . 1 . 48 . 1 1 5 THR HG23 H 2.640 -8.399 -0.868 . . . 1.0 . . . . . . . . . . . . A . 131 THR HG23 . . . . . . . . . rr_1kb7 1 . 1 . 49 . 1 1 5 THR N N 2.208 -4.626 0.935 . . . 1.0 . . . . . . . . . . . . A . 131 THR N . . . . . . . . . rr_1kb7 1 . 1 . 50 . 1 1 5 THR O O 5.067 -6.271 1.396 . . . 1.0 . . . . . . . . . . . . A . 131 THR O . . . . . . . . . rr_1kb7 1 . 1 . 51 . 1 1 5 THR OG1 O 0.981 -6.310 -1.042 . . . 1.0 . . . . . . . . . . . . A . 131 THR OG1 . . . . . . . . . rr_1kb7 1 . 1 . 52 . 1 1 6 THR C C 6.626 -3.194 0.910 . . . 1.0 . . . . . . . . . . . . A . 132 THR C . . . . . . . . . rr_1kb7 1 . 1 . 53 . 1 1 6 THR CA C 6.458 -4.328 -0.150 . . . 1.0 . . . . . . . . . . . . A . 132 THR CA . . . . . . . . . rr_1kb7 1 . 1 . 54 . 1 1 6 THR CB C 6.966 -3.899 -1.561 . . . 1.0 . . . . . . . . . . . . A . 132 THR CB . . . . . . . . . rr_1kb7 1 . 1 . 55 . 1 1 6 THR CG2 C 8.485 -3.661 -1.632 . . . 1.0 . . . . . . . . . . . . A . 132 THR CG2 . . . . . . . . . rr_1kb7 1 . 1 . 56 . 1 1 6 THR H H 4.362 -4.181 -0.833 . . . 1.0 . . . . . . . . . . . . A . 132 THR H . . . . . . . . . rr_1kb7 1 . 1 . 57 . 1 1 6 THR HA H 7.038 -5.225 0.154 . . . 1.0 . . . . . . . . . . . . A . 132 THR HA . . . . . . . . . rr_1kb7 1 . 1 . 58 . 1 1 6 THR HB H 6.452 -2.968 -1.863 . . . 1.0 . . . . . . . . . . . . A . 132 THR HB . . . . . . . . . rr_1kb7 1 . 1 . 59 . 1 1 6 THR HG1 H 5.717 -5.020 -2.505 . . . 1.0 . . . . . . . . . . . . A . 132 THR HG1 . . . . . . . . . rr_1kb7 1 . 1 . 60 . 1 1 6 THR HG21 H 8.798 -3.359 -2.649 . . . 1.0 . . . . . . . . . . . . A . 132 THR HG21 . . . . . . . . . rr_1kb7 1 . 1 . 61 . 1 1 6 THR HG22 H 8.806 -2.857 -0.946 . . . 1.0 . . . . . . . . . . . . A . 132 THR HG22 . . . . . . . . . rr_1kb7 1 . 1 . 62 . 1 1 6 THR HG23 H 9.057 -4.569 -1.367 . . . 1.0 . . . . . . . . . . . . A . 132 THR HG23 . . . . . . . . . rr_1kb7 1 . 1 . 63 . 1 1 6 THR N N 5.014 -4.687 -0.223 . . . 1.0 . . . . . . . . . . . . A . 132 THR N . . . . . . . . . rr_1kb7 1 . 1 . 64 . 1 1 6 THR O O 5.873 -2.212 0.914 . . . 1.0 . . . . . . . . . . . . A . 132 THR O . . . . . . . . . rr_1kb7 1 . 1 . 65 . 1 1 6 THR OG1 O 6.670 -4.906 -2.526 . . . 1.0 . . . . . . . . . . . . A . 132 THR OG1 . . . . . . . . . rr_1kb7 1 . 1 . 66 . 1 1 7 VAL C C 8.637 -1.115 2.438 . . . 1.0 . . . . . . . . . . . . A . 133 VAL C . . . . . . . . . rr_1kb7 1 . 1 . 67 . 1 1 7 VAL CA C 7.882 -2.400 2.920 . . . 1.0 . . . . . . . . . . . . A . 133 VAL CA . . . . . . . . . rr_1kb7 1 . 1 . 68 . 1 1 7 VAL CB C 8.549 -3.178 4.111 . . . 1.0 . . . . . . . . . . . . A . 133 VAL CB . . . . . . . . . rr_1kb7 1 . 1 . 69 . 1 1 7 VAL CG1 C 9.945 -3.799 3.855 . . . 1.0 . . . . . . . . . . . . A . 133 VAL CG1 . . . . . . . . . rr_1kb7 1 . 1 . 70 . 1 1 7 VAL CG2 C 8.579 -2.340 5.409 . . . 1.0 . . . . . . . . . . . . A . 133 VAL CG2 . . . . . . . . . rr_1kb7 1 . 1 . 71 . 1 1 7 VAL H H 8.195 -4.193 1.666 . . . 1.0 . . . . . . . . . . . . A . 133 VAL H . . . . . . . . . rr_1kb7 1 . 1 . 72 . 1 1 7 VAL HA H 6.897 -2.078 3.309 . . . 1.0 . . . . . . . . . . . . A . 133 VAL HA . . . . . . . . . rr_1kb7 1 . 1 . 73 . 1 1 7 VAL HB H 7.881 -4.032 4.338 . . . 1.0 . . . . . . . . . . . . A . 133 VAL HB . . . . . . . . . rr_1kb7 1 . 1 . 74 . 1 1 7 VAL HG11 H 10.732 -3.035 3.721 . . . 1.0 . . . . . . . . . . . . A . 133 VAL HG11 . . . . . . . . . rr_1kb7 1 . 1 . 75 . 1 1 7 VAL HG12 H 9.952 -4.438 2.953 . . . 1.0 . . . . . . . . . . . . A . 133 VAL HG12 . . . . . . . . . rr_1kb7 1 . 1 . 76 . 1 1 7 VAL HG13 H 10.263 -4.442 4.697 . . . 1.0 . . . . . . . . . . . . A . 133 VAL HG13 . . . . . . . . . rr_1kb7 1 . 1 . 77 . 1 1 7 VAL HG21 H 9.246 -1.463 5.322 . . . 1.0 . . . . . . . . . . . . A . 133 VAL HG21 . . . . . . . . . rr_1kb7 1 . 1 . 78 . 1 1 7 VAL HG22 H 7.574 -1.961 5.671 . . . 1.0 . . . . . . . . . . . . A . 133 VAL HG22 . . . . . . . . . rr_1kb7 1 . 1 . 79 . 1 1 7 VAL HG23 H 8.930 -2.934 6.273 . . . 1.0 . . . . . . . . . . . . A . 133 VAL HG23 . . . . . . . . . rr_1kb7 1 . 1 . 80 . 1 1 7 VAL N N 7.638 -3.341 1.789 . . . 1.0 . . . . . . . . . . . . A . 133 VAL N . . . . . . . . . rr_1kb7 1 . 1 . 81 . 1 1 7 VAL O O 9.870 -1.054 2.414 . . . 1.0 . . . . . . . . . . . . A . 133 VAL O . . . . . . . . . rr_1kb7 1 . 1 . 82 . 1 1 8 ASP C C 7.198 2.265 1.813 . . . 1.0 . . . . . . . . . . . . A . 134 ASP C . . . . . . . . . rr_1kb7 1 . 1 . 83 . 1 1 8 ASP CA C 8.348 1.235 1.615 . . . 1.0 . . . . . . . . . . . . A . 134 ASP CA . . . . . . . . . rr_1kb7 1 . 1 . 84 . 1 1 8 ASP CB C 8.784 1.258 0.119 . . . 1.0 . . . . . . . . . . . . A . 134 ASP CB . . . . . . . . . rr_1kb7 1 . 1 . 85 . 1 1 8 ASP CG C 10.155 0.643 -0.184 . . . 1.0 . . . . . . . . . . . . A . 134 ASP CG . . . . . . . . . rr_1kb7 1 . 1 . 86 . 1 1 8 ASP H H 6.843 -0.293 2.120 . . . 1.0 . . . . . . . . . . . . A . 134 ASP H . . . . . . . . . rr_1kb7 1 . 1 . 87 . 1 1 8 ASP HA H 9.212 1.524 2.249 . . . 1.0 . . . . . . . . . . . . A . 134 ASP HA . . . . . . . . . rr_1kb7 1 . 1 . 88 . 1 1 8 ASP HB2 H 8.012 0.784 -0.514 . . . 1.0 . . . . . . . . . . . . A . 134 ASP HB2 . . . . . . . . . rr_1kb7 1 . 1 . 89 . 1 1 8 ASP HB3 H 8.833 2.303 -0.244 . . . 1.0 . . . . . . . . . . . . A . 134 ASP HB3 . . . . . . . . . rr_1kb7 1 . 1 . 90 . 1 1 8 ASP HD2 H 10.917 -0.949 -1.005 . . . 1.0 . . . . . . . . . . . . A . 134 ASP HD2 . . . . . . . . . rr_1kb7 1 . 1 . 91 . 1 1 8 ASP N N 7.848 -0.094 2.059 . . . 1.0 . . . . . . . . . . . . A . 134 ASP N . . . . . . . . . rr_1kb7 1 . 1 . 92 . 1 1 8 ASP O O 6.028 1.998 1.509 . . . 1.0 . . . . . . . . . . . . A . 134 ASP O . . . . . . . . . rr_1kb7 1 . 1 . 93 . 1 1 8 ASP OD1 O 11.219 1.186 0.111 . . . 1.0 . . . . . . . . . . . . A . 134 ASP OD1 . . . . . . . . . rr_1kb7 1 . 1 . 94 . 1 1 8 ASP OD2 O 10.055 -0.569 -0.817 . . . 1.0 . . . . . . . . . . . . A . 134 ASP OD2 . . . . . . . . . rr_1kb7 1 . 1 . 95 . 1 1 9 ALA C C 5.981 5.124 1.054 . . . 1.0 . . . . . . . . . . . . A . 135 ALA C . . . . . . . . . rr_1kb7 1 . 1 . 96 . 1 1 9 ALA CA C 6.606 4.621 2.398 . . . 1.0 . . . . . . . . . . . . A . 135 ALA CA . . . . . . . . . rr_1kb7 1 . 1 . 97 . 1 1 9 ALA CB C 7.331 5.774 3.118 . . . 1.0 . . . . . . . . . . . . A . 135 ALA CB . . . . . . . . . rr_1kb7 1 . 1 . 98 . 1 1 9 ALA H H 8.563 3.587 2.464 . . . 1.0 . . . . . . . . . . . . A . 135 ALA H . . . . . . . . . rr_1kb7 1 . 1 . 99 . 1 1 9 ALA HA H 5.771 4.297 3.049 . . . 1.0 . . . . . . . . . . . . A . 135 ALA HA . . . . . . . . . rr_1kb7 1 . 1 . 100 . 1 1 9 ALA HB1 H 8.192 6.159 2.537 . . . 1.0 . . . . . . . . . . . . A . 135 ALA HB1 . . . . . . . . . rr_1kb7 1 . 1 . 101 . 1 1 9 ALA HB2 H 6.653 6.629 3.298 . . . 1.0 . . . . . . . . . . . . A . 135 ALA HB2 . . . . . . . . . rr_1kb7 1 . 1 . 102 . 1 1 9 ALA HB3 H 7.715 5.465 4.108 . . . 1.0 . . . . . . . . . . . . A . 135 ALA HB3 . . . . . . . . . rr_1kb7 1 . 1 . 103 . 1 1 9 ALA N N 7.562 3.480 2.268 . . . 1.0 . . . . . . . . . . . . A . 135 ALA N . . . . . . . . . rr_1kb7 1 . 1 . 104 . 1 1 9 ALA O O 4.789 5.445 1.032 . . . 1.0 . . . . . . . . . . . . A . 135 ALA O . . . . . . . . . rr_1kb7 1 . 1 . 105 . 1 1 10 LYS C C 5.390 4.379 -2.114 . . . 1.0 . . . . . . . . . . . . A . 136 LYS C . . . . . . . . . rr_1kb7 1 . 1 . 106 . 1 1 10 LYS CA C 6.246 5.493 -1.413 . . . 1.0 . . . . . . . . . . . . A . 136 LYS CA . . . . . . . . . rr_1kb7 1 . 1 . 107 . 1 1 10 LYS CB C 7.439 5.947 -2.312 . . . 1.0 . . . . . . . . . . . . A . 136 LYS CB . . . . . . . . . rr_1kb7 1 . 1 . 108 . 1 1 10 LYS CD C 8.578 3.725 -3.149 . . . 1.0 . . . . . . . . . . . . A . 136 LYS CD . . . . . . . . . rr_1kb7 1 . 1 . 109 . 1 1 10 LYS CE C 9.925 3.007 -3.348 . . . 1.0 . . . . . . . . . . . . A . 136 LYS CE . . . . . . . . . rr_1kb7 1 . 1 . 110 . 1 1 10 LYS CG C 8.725 5.085 -2.437 . . . 1.0 . . . . . . . . . . . . A . 136 LYS CG . . . . . . . . . rr_1kb7 1 . 1 . 111 . 1 1 10 LYS H H 7.691 4.759 0.080 . . . 1.0 . . . . . . . . . . . . A . 136 LYS H . . . . . . . . . rr_1kb7 1 . 1 . 112 . 1 1 10 LYS HA H 5.573 6.367 -1.327 . . . 1.0 . . . . . . . . . . . . A . 136 LYS HA . . . . . . . . . rr_1kb7 1 . 1 . 113 . 1 1 10 LYS HB2 H 7.064 6.170 -3.329 . . . 1.0 . . . . . . . . . . . . A . 136 LYS HB2 . . . . . . . . . rr_1kb7 1 . 1 . 114 . 1 1 10 LYS HB3 H 7.764 6.938 -1.940 . . . 1.0 . . . . . . . . . . . . A . 136 LYS HB3 . . . . . . . . . rr_1kb7 1 . 1 . 115 . 1 1 10 LYS HD2 H 7.914 3.074 -2.555 . . . 1.0 . . . . . . . . . . . . A . 136 LYS HD2 . . . . . . . . . rr_1kb7 1 . 1 . 116 . 1 1 10 LYS HD3 H 8.078 3.869 -4.126 . . . 1.0 . . . . . . . . . . . . A . 136 LYS HD3 . . . . . . . . . rr_1kb7 1 . 1 . 117 . 1 1 10 LYS HE2 H 10.598 3.615 -3.982 . . . 1.0 . . . . . . . . . . . . A . 136 LYS HE2 . . . . . . . . . rr_1kb7 1 . 1 . 118 . 1 1 10 LYS HE3 H 10.442 2.879 -2.379 . . . 1.0 . . . . . . . . . . . . A . 136 LYS HE3 . . . . . . . . . rr_1kb7 1 . 1 . 119 . 1 1 10 LYS HG2 H 9.474 5.689 -2.985 . . . 1.0 . . . . . . . . . . . . A . 136 LYS HG2 . . . . . . . . . rr_1kb7 1 . 1 . 120 . 1 1 10 LYS HG3 H 9.165 4.931 -1.434 . . . 1.0 . . . . . . . . . . . . A . 136 LYS HG3 . . . . . . . . . rr_1kb7 1 . 1 . 121 . 1 1 10 LYS HZ1 H 10.647 1.209 -4.061 . . . 1.0 . . . . . . . . . . . . A . 136 LYS HZ1 . . . . . . . . . rr_1kb7 1 . 1 . 122 . 1 1 10 LYS HZ2 H 9.176 1.084 -3.358 . . . 1.0 . . . . . . . . . . . . A . 136 LYS HZ2 . . . . . . . . . rr_1kb7 1 . 1 . 123 . 1 1 10 LYS N N 6.761 5.171 -0.048 . . . 1.0 . . . . . . . . . . . . A . 136 LYS N . . . . . . . . . rr_1kb7 1 . 1 . 124 . 1 1 10 LYS NZ N 9.742 1.683 -3.969 . . . 1.0 . . . . . . . . . . . . A . 136 LYS NZ . . . . . . . . . rr_1kb7 1 . 1 . 125 . 1 1 10 LYS O O 4.720 4.691 -3.103 . . . 1.0 . . . . . . . . . . . . A . 136 LYS O . . . . . . . . . rr_1kb7 1 . 1 . 126 . 1 1 11 PHE C C 3.069 2.112 -1.975 . . . 1.0 . . . . . . . . . . . . A . 137 PHE C . . . . . . . . . rr_1kb7 1 . 1 . 127 . 1 1 11 PHE CA C 4.607 2.002 -2.223 . . . 1.0 . . . . . . . . . . . . A . 137 PHE CA . . . . . . . . . rr_1kb7 1 . 1 . 128 . 1 1 11 PHE CB C 5.216 0.667 -1.698 . . . 1.0 . . . . . . . . . . . . A . 137 PHE CB . . . . . . . . . rr_1kb7 1 . 1 . 129 . 1 1 11 PHE CD1 C 4.995 -1.079 -3.544 . . . 1.0 . . . . . . . . . . . . A . 137 PHE CD1 . . . . . . . . . rr_1kb7 1 . 1 . 130 . 1 1 11 PHE CD2 C 3.629 -1.330 -1.567 . . . 1.0 . . . . . . . . . . . . A . 137 PHE CD2 . . . . . . . . . rr_1kb7 1 . 1 . 131 . 1 1 11 PHE CE1 C 4.426 -2.232 -4.081 . . . 1.0 . . . . . . . . . . . . A . 137 PHE CE1 . . . . . . . . . rr_1kb7 1 . 1 . 132 . 1 1 11 PHE CE2 C 3.056 -2.476 -2.110 . . . 1.0 . . . . . . . . . . . . A . 137 PHE CE2 . . . . . . . . . rr_1kb7 1 . 1 . 133 . 1 1 11 PHE CG C 4.600 -0.619 -2.283 . . . 1.0 . . . . . . . . . . . . A . 137 PHE CG . . . . . . . . . rr_1kb7 1 . 1 . 134 . 1 1 11 PHE CZ C 3.457 -2.929 -3.364 . . . 1.0 . . . . . . . . . . . . A . 137 PHE CZ . . . . . . . . . rr_1kb7 1 . 1 . 135 . 1 1 11 PHE H H 5.994 2.988 -0.806 . . . 1.0 . . . . . . . . . . . . A . 137 PHE H . . . . . . . . . rr_1kb7 1 . 1 . 136 . 1 1 11 PHE HA H 4.766 2.020 -3.319 . . . 1.0 . . . . . . . . . . . . A . 137 PHE HA . . . . . . . . . rr_1kb7 1 . 1 . 137 . 1 1 11 PHE HB2 H 6.302 0.646 -1.900 . . . 1.0 . . . . . . . . . . . . A . 137 PHE HB2 . . . . . . . . . rr_1kb7 1 . 1 . 138 . 1 1 11 PHE HB3 H 5.128 0.639 -0.595 . . . 1.0 . . . . . . . . . . . . A . 137 PHE HB3 . . . . . . . . . rr_1kb7 1 . 1 . 139 . 1 1 11 PHE HD1 H 5.743 -0.545 -4.113 . . . 1.0 . . . . . . . . . . . . A . 137 PHE HD1 . . . . . . . . . rr_1kb7 1 . 1 . 140 . 1 1 11 PHE HD2 H 3.308 -0.995 -0.590 . . . 1.0 . . . . . . . . . . . . A . 137 PHE HD2 . . . . . . . . . rr_1kb7 1 . 1 . 141 . 1 1 11 PHE HE1 H 4.736 -2.586 -5.053 . . . 1.0 . . . . . . . . . . . . A . 137 PHE HE1 . . . . . . . . . rr_1kb7 1 . 1 . 142 . 1 1 11 PHE HE2 H 2.308 -3.021 -1.556 . . . 1.0 . . . . . . . . . . . . A . 137 PHE HE2 . . . . . . . . . rr_1kb7 1 . 1 . 143 . 1 1 11 PHE HZ H 3.017 -3.824 -3.779 . . . 1.0 . . . . . . . . . . . . A . 137 PHE HZ . . . . . . . . . rr_1kb7 1 . 1 . 144 . 1 1 11 PHE N N 5.385 3.120 -1.623 . . . 1.0 . . . . . . . . . . . . A . 137 PHE N . . . . . . . . . rr_1kb7 1 . 1 . 145 . 1 1 11 PHE O O 2.313 2.042 -2.947 . . . 1.0 . . . . . . . . . . . . A . 137 PHE O . . . . . . . . . rr_1kb7 1 . 1 . 146 . 1 1 12 ARG C C 0.470 3.585 -0.703 . . . 1.0 . . . . . . . . . . . . A . 138 ARG C . . . . . . . . . rr_1kb7 1 . 1 . 147 . 1 1 12 ARG CA C 1.173 2.224 -0.361 . . . 1.0 . . . . . . . . . . . . A . 138 ARG CA . . . . . . . . . rr_1kb7 1 . 1 . 148 . 1 1 12 ARG CB C 0.954 1.912 1.142 . . . 1.0 . . . . . . . . . . . . A . 138 ARG CB . . . . . . . . . rr_1kb7 1 . 1 . 149 . 1 1 12 ARG CD C 2.896 0.508 2.160 . . . 1.0 . . . . . . . . . . . . A . 138 ARG CD . . . . . . . . . rr_1kb7 1 . 1 . 150 . 1 1 12 ARG CG C 1.441 0.535 1.651 . . . 1.0 . . . . . . . . . . . . A . 138 ARG CG . . . . . . . . . rr_1kb7 1 . 1 . 151 . 1 1 12 ARG CZ C 4.129 -1.076 3.668 . . . 1.0 . . . . . . . . . . . . A . 138 ARG CZ . . . . . . . . . rr_1kb7 1 . 1 . 152 . 1 1 12 ARG H H 3.354 2.276 0.003 . . . 1.0 . . . . . . . . . . . . A . 138 ARG H . . . . . . . . . rr_1kb7 1 . 1 . 153 . 1 1 12 ARG HA H 0.701 1.385 -0.902 . . . 1.0 . . . . . . . . . . . . A . 138 ARG HA . . . . . . . . . rr_1kb7 1 . 1 . 154 . 1 1 12 ARG HB2 H 1.358 2.718 1.783 . . . 1.0 . . . . . . . . . . . . A . 138 ARG HB2 . . . . . . . . . rr_1kb7 1 . 1 . 155 . 1 1 12 ARG HB3 H -0.139 1.934 1.309 . . . 1.0 . . . . . . . . . . . . A . 138 ARG HB3 . . . . . . . . . rr_1kb7 1 . 1 . 156 . 1 1 12 ARG HD2 H 3.604 0.735 1.343 . . . 1.0 . . . . . . . . . . . . A . 138 ARG HD2 . . . . . . . . . rr_1kb7 1 . 1 . 157 . 1 1 12 ARG HD3 H 3.033 1.300 2.921 . . . 1.0 . . . . . . . . . . . . A . 138 ARG HD3 . . . . . . . . . rr_1kb7 1 . 1 . 158 . 1 1 12 ARG HG2 H 0.771 0.227 2.477 . . . 1.0 . . . . . . . . . . . . A . 138 ARG HG2 . . . . . . . . . rr_1kb7 1 . 1 . 159 . 1 1 12 ARG HG3 H 1.292 -0.225 0.862 . . . 1.0 . . . . . . . . . . . . A . 138 ARG HG3 . . . . . . . . . rr_1kb7 1 . 1 . 160 . 1 1 12 ARG HH11 H 4.772 0.818 3.887 . . . 1.0 . . . . . . . . . . . . A . 138 ARG HH11 . . . . . . . . . rr_1kb7 1 . 1 . 161 . 1 1 12 ARG HH12 H 5.557 -0.459 4.945 . . . 1.0 . . . . . . . . . . . . A . 138 ARG HH12 . . . . . . . . . rr_1kb7 1 . 1 . 162 . 1 1 12 ARG HH21 H 3.657 -3.021 3.635 . . . 1.0 . . . . . . . . . . . . A . 138 ARG HH21 . . . . . . . . . rr_1kb7 1 . 1 . 163 . 1 1 12 ARG HH22 H 4.964 -2.493 4.809 . . . 1.0 . . . . . . . . . . . . A . 138 ARG HH22 . . . . . . . . . rr_1kb7 1 . 1 . 164 . 1 1 12 ARG N N 2.617 2.255 -0.711 . . . 1.0 . . . . . . . . . . . . A . 138 ARG N . . . . . . . . . rr_1kb7 1 . 1 . 165 . 1 1 12 ARG NE N 3.216 -0.828 2.714 . . . 1.0 . . . . . . . . . . . . A . 138 ARG NE . . . . . . . . . rr_1kb7 1 . 1 . 166 . 1 1 12 ARG NH1 N 4.899 -0.143 4.224 . . . 1.0 . . . . . . . . . . . . A . 138 ARG NH1 . . . . . . . . . rr_1kb7 1 . 1 . 167 . 1 1 12 ARG NH2 N 4.264 -2.323 4.079 . . . 1.0 . . . . . . . . . . . . A . 138 ARG NH2 . . . . . . . . . rr_1kb7 1 . 1 . 168 . 1 1 12 ARG O O 0.885 4.605 -0.140 . . . 1.0 . . . . . . . . . . . . A . 138 ARG O . . . . . . . . . rr_1kb7 1 . 1 . 169 . 1 1 13 PRO C C -2.182 5.471 -0.695 . . . 1.0 . . . . . . . . . . . . A . 139 PRO C . . . . . . . . . rr_1kb7 1 . 1 . 170 . 1 1 13 PRO CA C -1.304 4.934 -1.866 . . . 1.0 . . . . . . . . . . . . A . 139 PRO CA . . . . . . . . . rr_1kb7 1 . 1 . 171 . 1 1 13 PRO CB C -2.155 4.581 -3.106 . . . 1.0 . . . . . . . . . . . . A . 139 PRO CB . . . . . . . . . rr_1kb7 1 . 1 . 172 . 1 1 13 PRO CD C -1.042 2.556 -2.428 . . . 1.0 . . . . . . . . . . . . A . 139 PRO CD . . . . . . . . . rr_1kb7 1 . 1 . 173 . 1 1 13 PRO CG C -1.574 3.281 -3.662 . . . 1.0 . . . . . . . . . . . . A . 139 PRO CG . . . . . . . . . rr_1kb7 1 . 1 . 174 . 1 1 13 PRO HA H -0.555 5.697 -2.157 . . . 1.0 . . . . . . . . . . . . A . 139 PRO HA . . . . . . . . . rr_1kb7 1 . 1 . 175 . 1 1 13 PRO HB2 H -3.218 4.424 -2.845 . . . 1.0 . . . . . . . . . . . . A . 139 PRO HB2 . . . . . . . . . rr_1kb7 1 . 1 . 176 . 1 1 13 PRO HB3 H -2.135 5.390 -3.860 . . . 1.0 . . . . . . . . . . . . A . 139 PRO HB3 . . . . . . . . . rr_1kb7 1 . 1 . 177 . 1 1 13 PRO HD2 H -1.834 1.974 -1.922 . . . 1.0 . . . . . . . . . . . . A . 139 PRO HD2 . . . . . . . . . rr_1kb7 1 . 1 . 178 . 1 1 13 PRO HD3 H -0.238 1.853 -2.700 . . . 1.0 . . . . . . . . . . . . A . 139 PRO HD3 . . . . . . . . . rr_1kb7 1 . 1 . 179 . 1 1 13 PRO HG2 H -2.323 2.683 -4.214 . . . 1.0 . . . . . . . . . . . . A . 139 PRO HG2 . . . . . . . . . rr_1kb7 1 . 1 . 180 . 1 1 13 PRO HG3 H -0.748 3.500 -4.365 . . . 1.0 . . . . . . . . . . . . A . 139 PRO HG3 . . . . . . . . . rr_1kb7 1 . 1 . 181 . 1 1 13 PRO N N -0.594 3.662 -1.562 . . . 1.0 . . . . . . . . . . . . A . 139 PRO N . . . . . . . . . rr_1kb7 1 . 1 . 182 . 1 1 13 PRO O O -2.662 4.703 0.148 . . . 1.0 . . . . . . . . . . . . A . 139 PRO O . . . . . . . . . rr_1kb7 1 . 1 . 183 . 1 1 14 ASN C C -4.745 7.150 0.145 . . . 1.0 . . . . . . . . . . . . A . 140 ASN C . . . . . . . . . rr_1kb7 1 . 1 . 184 . 1 1 14 ASN CA C -3.234 7.470 0.364 . . . 1.0 . . . . . . . . . . . . A . 140 ASN CA . . . . . . . . . rr_1kb7 1 . 1 . 185 . 1 1 14 ASN CB C -2.932 8.994 0.318 . . . 1.0 . . . . . . . . . . . . A . 140 ASN CB . . . . . . . . . rr_1kb7 1 . 1 . 186 . 1 1 14 ASN CG C -3.510 9.803 1.498 . . . 1.0 . . . . . . . . . . . . A . 140 ASN CG . . . . . . . . . rr_1kb7 1 . 1 . 187 . 1 1 14 ASN H H -1.961 7.325 -1.436 . . . 1.0 . . . . . . . . . . . . A . 140 ASN H . . . . . . . . . rr_1kb7 1 . 1 . 188 . 1 1 14 ASN HA H -2.900 7.098 1.354 . . . 1.0 . . . . . . . . . . . . A . 140 ASN HA . . . . . . . . . rr_1kb7 1 . 1 . 189 . 1 1 14 ASN HB2 H -1.836 9.155 0.335 . . . 1.0 . . . . . . . . . . . . A . 140 ASN HB2 . . . . . . . . . rr_1kb7 1 . 1 . 190 . 1 1 14 ASN HB3 H -3.256 9.423 -0.653 . . . 1.0 . . . . . . . . . . . . A . 140 ASN HB3 . . . . . . . . . rr_1kb7 1 . 1 . 191 . 1 1 14 ASN HD21 H -4.917 10.599 0.309 . . . 1.0 . . . . . . . . . . . . A . 140 ASN HD21 . . . . . . . . . rr_1kb7 1 . 1 . 192 . 1 1 14 ASN HD22 H -4.919 11.111 2.071 . . . 1.0 . . . . . . . . . . . . A . 140 ASN HD22 . . . . . . . . . rr_1kb7 1 . 1 . 193 . 1 1 14 ASN N N -2.413 6.798 -0.682 . . . 1.0 . . . . . . . . . . . . A . 140 ASN N . . . . . . . . . rr_1kb7 1 . 1 . 194 . 1 1 14 ASN ND2 N -4.555 10.584 1.269 . . . 1.0 . . . . . . . . . . . . A . 140 ASN ND2 . . . . . . . . . rr_1kb7 1 . 1 . 195 . 1 1 14 ASN O O -5.336 7.539 -0.868 . . . 1.0 . . . . . . . . . . . . A . 140 ASN O . . . . . . . . . rr_1kb7 1 . 1 . 196 . 1 1 14 ASN OD1 O -3.017 9.731 2.623 . . . 1.0 . . . . . . . . . . . . A . 140 ASN OD1 . . . . . . . . . rr_1kb7 1 . 1 . 197 . 1 1 15 GLY C C -6.984 4.641 0.189 . . . 1.0 . . . . . . . . . . . . A . 141 GLY C . . . . . . . . . rr_1kb7 1 . 1 . 198 . 1 1 15 GLY CA C -6.742 5.941 1.003 . . . 1.0 . . . . . . . . . . . . A . 141 GLY CA . . . . . . . . . rr_1kb7 1 . 1 . 199 . 1 1 15 GLY H H -4.730 6.158 1.890 . . . 1.0 . . . . . . . . . . . . A . 141 GLY H . . . . . . . . . rr_1kb7 1 . 1 . 200 . 1 1 15 GLY HA2 H -7.121 5.752 2.021 . . . 1.0 . . . . . . . . . . . . A . 141 GLY HA2 . . . . . . . . . rr_1kb7 1 . 1 . 201 . 1 1 15 GLY HA3 H -7.362 6.747 0.564 . . . 1.0 . . . . . . . . . . . . A . 141 GLY HA3 . . . . . . . . . rr_1kb7 1 . 1 . 202 . 1 1 15 GLY N N -5.337 6.417 1.104 . . . 1.0 . . . . . . . . . . . . A . 141 GLY N . . . . . . . . . rr_1kb7 1 . 1 . 203 . 1 1 15 GLY O O -8.067 4.495 -0.384 . . . 1.0 . . . . . . . . . . . . A . 141 GLY O . . . . . . . . . rr_1kb7 1 . 1 . 204 . 1 1 16 CYS C C -6.901 1.340 0.038 . . . 1.0 . . . . . . . . . . . . A . 142 CYS C . . . . . . . . . rr_1kb7 1 . 1 . 205 . 1 1 16 CYS CA C -6.103 2.471 -0.673 . . . 1.0 . . . . . . . . . . . . A . 142 CYS CA . . . . . . . . . rr_1kb7 1 . 1 . 206 . 1 1 16 CYS CB C -4.668 2.000 -0.978 . . . 1.0 . . . . . . . . . . . . A . 142 CYS CB . . . . . . . . . rr_1kb7 1 . 1 . 207 . 1 1 16 CYS H H -5.172 3.950 0.676 . . . 1.0 . . . . . . . . . . . . A . 142 CYS H . . . . . . . . . rr_1kb7 1 . 1 . 208 . 1 1 16 CYS HA H -6.580 2.717 -1.645 . . . 1.0 . . . . . . . . . . . . A . 142 CYS HA . . . . . . . . . rr_1kb7 1 . 1 . 209 . 1 1 16 CYS HB2 H -4.698 1.123 -1.647 . . . 1.0 . . . . . . . . . . . . A . 142 CYS HB2 . . . . . . . . . rr_1kb7 1 . 1 . 210 . 1 1 16 CYS HB3 H -4.100 2.778 -1.518 . . . 1.0 . . . . . . . . . . . . A . 142 CYS HB3 . . . . . . . . . rr_1kb7 1 . 1 . 211 . 1 1 16 CYS N N -6.004 3.719 0.123 . . . 1.0 . . . . . . . . . . . . A . 142 CYS N . . . . . . . . . rr_1kb7 1 . 1 . 212 . 1 1 16 CYS O O -6.884 1.211 1.267 . . . 1.0 . . . . . . . . . . . . A . 142 CYS O . . . . . . . . . rr_1kb7 1 . 1 . 213 . 1 1 16 CYS SG S -3.786 1.536 0.528 . . . 1.0 . . . . . . . . . . . . A . 142 CYS SG . . . . . . . . . rr_1kb7 1 . 1 . 214 . 1 1 17 THR C C -7.420 -1.907 -0.265 . . . 1.0 . . . . . . . . . . . . A . 143 THR C . . . . . . . . . rr_1kb7 1 . 1 . 215 . 1 1 17 THR CA C -8.359 -0.661 -0.286 . . . 1.0 . . . . . . . . . . . . A . 143 THR CA . . . . . . . . . rr_1kb7 1 . 1 . 216 . 1 1 17 THR CB C -9.611 -0.869 -1.194 . . . 1.0 . . . . . . . . . . . . A . 143 THR CB . . . . . . . . . rr_1kb7 1 . 1 . 217 . 1 1 17 THR CG2 C -10.539 -2.008 -0.731 . . . 1.0 . . . . . . . . . . . . A . 143 THR CG2 . . . . . . . . . rr_1kb7 1 . 1 . 218 . 1 1 17 THR H H -7.482 0.712 -1.777 . . . 1.0 . . . . . . . . . . . . A . 143 THR H . . . . . . . . . rr_1kb7 1 . 1 . 219 . 1 1 17 THR HA H -8.735 -0.448 0.737 . . . 1.0 . . . . . . . . . . . . A . 143 THR HA . . . . . . . . . rr_1kb7 1 . 1 . 220 . 1 1 17 THR HB H -9.282 -1.083 -2.230 . . . 1.0 . . . . . . . . . . . . A . 143 THR HB . . . . . . . . . rr_1kb7 1 . 1 . 221 . 1 1 17 THR HG1 H -9.827 1.014 -1.537 . . . 1.0 . . . . . . . . . . . . A . 143 THR HG1 . . . . . . . . . rr_1kb7 1 . 1 . 222 . 1 1 17 THR HG21 H -11.425 -2.095 -1.386 . . . 1.0 . . . . . . . . . . . . A . 143 THR HG21 . . . . . . . . . rr_1kb7 1 . 1 . 223 . 1 1 17 THR HG22 H -10.029 -2.989 -0.750 . . . 1.0 . . . . . . . . . . . . A . 143 THR HG22 . . . . . . . . . rr_1kb7 1 . 1 . 224 . 1 1 17 THR HG23 H -10.906 -1.846 0.299 . . . 1.0 . . . . . . . . . . . . A . 143 THR HG23 . . . . . . . . . rr_1kb7 1 . 1 . 225 . 1 1 17 THR N N -7.572 0.504 -0.777 . . . 1.0 . . . . . . . . . . . . A . 143 THR N . . . . . . . . . rr_1kb7 1 . 1 . 226 . 1 1 17 THR O O -6.861 -2.299 -1.297 . . . 1.0 . . . . . . . . . . . . A . 143 THR O . . . . . . . . . rr_1kb7 1 . 1 . 227 . 1 1 17 THR OG1 O -10.402 0.317 -1.211 . . . 1.0 . . . . . . . . . . . . A . 143 THR OG1 . . . . . . . . . rr_1kb7 1 . 1 . 228 . 1 1 18 ASP C C -7.265 -4.990 0.836 . . . 1.0 . . . . . . . . . . . . A . 144 ASP C . . . . . . . . . rr_1kb7 1 . 1 . 229 . 1 1 18 ASP CA C -6.422 -3.722 1.118 . . . 1.0 . . . . . . . . . . . . A . 144 ASP CA . . . . . . . . . rr_1kb7 1 . 1 . 230 . 1 1 18 ASP CB C -5.826 -3.671 2.552 . . . 1.0 . . . . . . . . . . . . A . 144 ASP CB . . . . . . . . . rr_1kb7 1 . 1 . 231 . 1 1 18 ASP CG C -4.747 -4.731 2.823 . . . 1.0 . . . . . . . . . . . . A . 144 ASP CG . . . . . . . . . rr_1kb7 1 . 1 . 232 . 1 1 18 ASP H H -7.804 -2.102 1.696 . . . 1.0 . . . . . . . . . . . . A . 144 ASP H . . . . . . . . . rr_1kb7 1 . 1 . 233 . 1 1 18 ASP HXT H -6.343 -5.007 -0.879 . . . 1.0 . . . . . . . . . . . . A . 144 ASP HXT . . . . . . . . . rr_1kb7 1 . 1 . 234 . 1 1 18 ASP HA H -5.576 -3.691 0.405 . . . 1.0 . . . . . . . . . . . . A . 144 ASP HA . . . . . . . . . rr_1kb7 1 . 1 . 235 . 1 1 18 ASP HB2 H -5.401 -2.666 2.747 . . . 1.0 . . . . . . . . . . . . A . 144 ASP HB2 . . . . . . . . . rr_1kb7 1 . 1 . 236 . 1 1 18 ASP HB3 H -6.632 -3.804 3.300 . . . 1.0 . . . . . . . . . . . . A . 144 ASP HB3 . . . . . . . . . rr_1kb7 1 . 1 . 237 . 1 1 18 ASP HD2 H -3.486 -3.266 2.595 . . . 1.0 . . . . . . . . . . . . A . 144 ASP HD2 . . . . . . . . . rr_1kb7 1 . 1 . 238 . 1 1 18 ASP N N -7.280 -2.526 0.922 . . . 1.0 . . . . . . . . . . . . A . 144 ASP N . . . . . . . . . rr_1kb7 1 . 1 . 239 . 1 1 18 ASP O O -8.079 -5.467 1.628 . . . 1.0 . . . . . . . . . . . . A . 144 ASP O . . . . . . . . . rr_1kb7 1 . 1 . 240 . 1 1 18 ASP OXT O -7.004 -5.516 -0.404 . . . 1.0 . . . . . . . . . . . . A . 144 ASP OXT . . . . . . . . . rr_1kb7 1 . 1 . 241 . 1 1 18 ASP OD1 O -5.000 -5.914 3.051 . . . 1.0 . . . . . . . . . . . . A . 144 ASP OD1 . . . . . . . . . rr_1kb7 1 . 1 . 242 . 1 1 18 ASP OD2 O -3.481 -4.207 2.786 . . . 1.0 . . . . . . . . . . . . A . 144 ASP OD2 . . . . . . . . . rr_1kb7 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_1kb7 _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 1kb7.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1kb7 1 1 1kb7.mr . . DISCOVER 2 stereochemistry chirality 'Not applicable' 0 rr_1kb7 1 1 1kb7.mr . . DISCOVER 3 distance 'hydrogen bond' simple 4 rr_1kb7 1 1 1kb7.mr . . DISCOVER 4 distance NOE simple 167 rr_1kb7 1 1 1kb7.mr . . DISCOVER 5 'dihedral angle' 'Not applicable' 'Not applicable' 19 rr_1kb7 1 1 1kb7.mr . . 'MR format' 6 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1kb7 1 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_1kb7 _Gen_dist_constraint_list.ID 2 _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 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_1kb7 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 OR . 1 1 12 12 ARG QH2 H . . . 1 1 12 12 ARG HD2 H . . . . . 3.3 -1.0 5.3 . . . . . A . 138 ARG QH2 . . A . 138 ARG HD2 . 1 . 138 ARG HH2* . . . 1 . 138 ARG HD* . . rr_1kb7 1 1 2 OR . 1 1 12 12 ARG QH2 H . . . 1 1 12 12 ARG HD3 H . . . . . 3.3 -1.0 5.3 . . . . . A . 138 ARG QH2 . . A . 138 ARG HD3 . 1 . 138 ARG HH2* . . . 1 . 138 ARG HD* . . rr_1kb7 1 2 1 OR . 1 1 12 12 ARG QH1 H . . . 1 1 12 12 ARG HD2 H . . . . . 3.3 -1.0 5.3 . . . . . A . 138 ARG QH1 . . A . 138 ARG HD2 . 1 . 138 ARG HH1* . . . 1 . 138 ARG HD* . . rr_1kb7 1 2 2 OR . 1 1 12 12 ARG HD3 H . . . 1 1 12 12 ARG QH1 H . . . . . 3.3 -1.0 5.3 . . . . . A . 138 ARG HD3 . . A . 138 ARG QH1 . 1 . 138 ARG HD* . . . 1 . 138 ARG HH1* . . rr_1kb7 1 3 1 OR . 1 1 14 14 ASN HB2 H . . . 1 1 14 14 ASN HD22 H . . . . . 3.3 -1.0 5.3 . . . . . A . 140 ASN HB2 . . A . 140 ASN HD22 . 1 . 140 ASN HB* . . . 1 . 140 ASN HD2* . . rr_1kb7 1 3 2 OR . 1 1 14 14 ASN HB3 H . . . 1 1 14 14 ASN HD22 H . . . . . 3.3 -1.0 5.3 . . . . . A . 140 ASN HB3 . . A . 140 ASN HD22 . 1 . 140 ASN HB* . . . 1 . 140 ASN HD2* . . rr_1kb7 1 3 3 OR . 1 1 14 14 ASN HD21 H . . . 1 1 14 14 ASN HB2 H . . . . . 3.3 -1.0 5.3 . . . . . A . 140 ASN HD21 . . A . 140 ASN HB2 . 1 . 140 ASN HD2* . . . 1 . 140 ASN HB* . . rr_1kb7 1 3 4 OR . 1 1 14 14 ASN HD21 H . . . 1 1 14 14 ASN HB3 H . . . . . 3.3 -1.0 5.3 . . . . . A . 140 ASN HD21 . . A . 140 ASN HB3 . 1 . 140 ASN HD2* . . . 1 . 140 ASN HB* . . rr_1kb7 1 4 1 OR . 1 1 9 9 ALA HA H . . . 1 1 12 12 ARG NH2 N . . . . . 5.0 2.3 6.5 . . . . . A . 135 ALA HA . . A . 138 ARG NH2 . 1 . 135 ALA HA . . . 1 . 138 ARG NH* . . rr_1kb7 1 4 2 OR . 1 1 12 12 ARG NH1 N . . . 1 1 9 9 ALA HA H . . . . . 5.0 2.3 6.5 . . . . . A . 138 ARG NH1 . . A . 135 ALA HA . 1 . 138 ARG NH* . . . 1 . 135 ALA HA . . rr_1kb7 1 5 1 OR . 1 1 12 12 ARG NH2 N . . . 1 1 12 12 ARG HD2 H . . . . . 2.7 -1.0 3.7 . . . . . A . 138 ARG NH2 . . A . 138 ARG HD2 . 1 . 138 ARG NH* . . . 1 . 138 ARG HD* . . rr_1kb7 1 5 2 OR . 1 1 12 12 ARG NH1 N . . . 1 1 12 12 ARG HD2 H . . . . . 2.7 -1.0 3.7 . . . . . A . 138 ARG NH1 . . A . 138 ARG HD2 . 1 . 138 ARG NH* . . . 1 . 138 ARG HD* . . rr_1kb7 1 5 3 OR . 1 1 12 12 ARG HD3 H . . . 1 1 12 12 ARG NH2 N . . . . . 2.7 -1.0 3.7 . . . . . A . 138 ARG HD3 . . A . 138 ARG NH2 . 1 . 138 ARG HD* . . . 1 . 138 ARG NH* . . rr_1kb7 1 5 4 OR . 1 1 12 12 ARG HD3 H . . . 1 1 12 12 ARG NH1 N . . . . . 2.7 -1.0 3.7 . . . . . A . 138 ARG HD3 . . A . 138 ARG NH1 . 1 . 138 ARG HD* . . . 1 . 138 ARG NH* . . rr_1kb7 1 6 1 OR . 1 1 12 12 ARG HB3 H . . . 1 1 12 12 ARG NH2 N . . . . . 3.3 -1.0 6.0 . . . . . A . 138 ARG HB3 . . A . 138 ARG NH2 . 1 . 138 ARG HBS . . . 1 . 138 ARG NH* . . rr_1kb7 1 6 2 OR . 1 1 12 12 ARG NH1 N . . . 1 1 12 12 ARG HB3 H . . . . . 3.3 -1.0 6.0 . . . . . A . 138 ARG NH1 . . A . 138 ARG HB3 . 1 . 138 ARG NH* . . . 1 . 138 ARG HBS . . rr_1kb7 1 7 1 OR . 1 1 12 12 ARG NH2 N . . . 1 1 12 12 ARG HG2 H . . . . . 2.7 -1.0 5.0 . . . . . A . 138 ARG NH2 . . A . 138 ARG HG2 . 1 . 138 ARG NH* . . . 1 . 138 ARG HG* . . rr_1kb7 1 7 2 OR . 1 1 12 12 ARG HG3 H . . . 1 1 12 12 ARG NH2 N . . . . . 2.7 -1.0 5.0 . . . . . A . 138 ARG HG3 . . A . 138 ARG NH2 . 1 . 138 ARG HG* . . . 1 . 138 ARG NH* . . rr_1kb7 1 7 3 OR . 1 1 12 12 ARG NH1 N . . . 1 1 12 12 ARG HG3 H . . . . . 2.7 -1.0 5.0 . . . . . A . 138 ARG NH1 . . A . 138 ARG HG3 . 1 . 138 ARG NH* . . . 1 . 138 ARG HG* . . rr_1kb7 1 7 4 OR . 1 1 12 12 ARG NH1 N . . . 1 1 12 12 ARG HG2 H . . . . . 2.7 -1.0 5.0 . . . . . A . 138 ARG NH1 . . A . 138 ARG HG2 . 1 . 138 ARG NH* . . . 1 . 138 ARG HG* . . rr_1kb7 1 8 1 . . 1 1 11 11 PHE QD H . . . 1 1 11 11 PHE HA H . . . . . 2.7 -1.0 4.7 . . . . . A . 137 PHE QD . . A . 137 PHE HA . 1 . 137 PHE HD* . . . 1 . 137 PHE HA . . rr_1kb7 1 9 1 . . 1 1 11 11 PHE QD H . . . 1 1 11 11 PHE HB3 H . . . . . 2.7 -1.0 4.7 . . . . . A . 137 PHE QD . . A . 137 PHE HB3 . 1 . 137 PHE HD* . . . 1 . 137 PHE HBS . . rr_1kb7 1 10 1 . . 1 1 11 11 PHE QD H . . . 1 1 11 11 PHE HB2 H . . . . . 2.7 -1.0 4.7 . . . . . A . 137 PHE QD . . A . 137 PHE HB2 . 1 . 137 PHE HD* . . . 1 . 137 PHE HBR . . rr_1kb7 1 11 1 OR . 1 1 11 11 PHE QD H . . . 1 1 8 8 ASP HB2 H . . . . . 3.3 -1.0 5.5 . . . . . A . 137 PHE QD . . A . 134 ASP HB2 . 1 . 137 PHE HD* . . . 1 . 134 ASP HB* . . rr_1kb7 1 11 2 OR . 1 1 11 11 PHE QD H . . . 1 1 8 8 ASP HB3 H . . . . . 3.3 -1.0 5.5 . . . . . A . 137 PHE QD . . A . 134 ASP HB3 . 1 . 137 PHE HD* . . . 1 . 134 ASP HB* . . rr_1kb7 1 12 1 OR . 1 1 11 11 PHE QD H . . . 1 1 7 7 VAL MG1 H . . . . . 5.0 2.3 9.9 . . . . . A . 137 PHE QD . . A . 133 VAL MG1 . 1 . 137 PHE HD* . . . 1 . 133 VAL HG* . . rr_1kb7 1 12 2 OR . 1 1 11 11 PHE QD H . . . 1 1 7 7 VAL MG2 H . . . . . 5.0 2.3 9.9 . . . . . A . 137 PHE QD . . A . 133 VAL MG2 . 1 . 137 PHE HD* . . . 1 . 133 VAL HG* . . rr_1kb7 1 13 1 . . 1 1 11 11 PHE HB3 H . . . 1 1 11 11 PHE QE H . . . . . 5.0 2.3 7.0 . . . . . A . 137 PHE HB3 . . A . 137 PHE QE . 1 . 137 PHE HBS . . . 1 . 137 PHE HE* . . rr_1kb7 1 14 1 OR . 1 1 12 12 ARG QH2 H . . . 1 1 12 12 ARG NH2 N . . . . . 3.3 -1.0 4.3 . . . . . A . 138 ARG QH2 . . A . 138 ARG NH2 . 1 . 138 ARG HH2* . . . 1 . 138 ARG NH* . . rr_1kb7 1 14 2 OR . 1 1 12 12 ARG QH2 H . . . 1 1 12 12 ARG NH1 N . . . . . 3.3 -1.0 4.3 . . . . . A . 138 ARG QH2 . . A . 138 ARG NH1 . 1 . 138 ARG HH2* . . . 1 . 138 ARG NH* . . rr_1kb7 1 15 1 . . 1 1 12 12 ARG QH2 H . . . 1 1 12 12 ARG QH1 H . . . . . 2.7 -1.0 4.7 . . . . . A . 138 ARG QH2 . . A . 138 ARG QH1 . 1 . 138 ARG HH2* . . . 1 . 138 ARG HH1* . . rr_1kb7 1 16 1 OR . 1 1 12 12 ARG QH1 H . . . 1 1 12 12 ARG NH2 N . . . . . 2.7 -1.0 3.7 . . . . . A . 138 ARG QH1 . . A . 138 ARG NH2 . 1 . 138 ARG HH1* . . . 1 . 138 ARG NH* . . rr_1kb7 1 16 2 OR . 1 1 12 12 ARG QH1 H . . . 1 1 12 12 ARG NH1 N . . . . . 2.7 -1.0 3.7 . . . . . A . 138 ARG QH1 . . A . 138 ARG NH1 . 1 . 138 ARG HH1* . . . 1 . 138 ARG NH* . . rr_1kb7 1 17 1 . . 1 1 6 6 THR H H . . . 1 1 5 5 THR H H . . . . . 2.7 -1.0 3.0 . . . . . A . 132 THR H . . A . 131 THR H . 1 . 132 THR HN . . . 1 . 131 THR HN . . rr_1kb7 1 18 1 . . 1 1 11 11 PHE H H . . . 1 1 10 10 LYS H H . . . . . 2.7 -1.0 2.7 . . . . . A . 137 PHE H . . A . 136 LYS H . 1 . 137 PHE HN . . . 1 . 136 LYS HN . . rr_1kb7 1 19 1 . . 1 1 11 11 PHE QD H . . . 1 1 11 11 PHE H H . . . . . 3.3 -1.0 5.3 . . . . . A . 137 PHE QD . . A . 137 PHE H . 1 . 137 PHE HD* . . . 1 . 137 PHE HN . . rr_1kb7 1 20 1 . . 1 1 11 11 PHE H H . . . 1 1 9 9 ALA MB H . . . . . 6.5 -1.0 6.5 . . . . . A . 137 PHE H . . A . 135 ALA MB . 1 . 137 PHE HN . . . 1 . 135 ALA HB* . . rr_1kb7 1 21 1 . . 1 1 11 11 PHE QD H . . . 1 1 12 12 ARG H H . . . . . 5.0 2.3 7.0 . . . . . A . 137 PHE QD . . A . 138 ARG H . 1 . 137 PHE HD* . . . 1 . 138 ARG HN . . rr_1kb7 1 22 1 . . 1 1 7 7 VAL H H . . . 1 1 8 8 ASP H H . . . . . 2.7 -1.0 4.0 . . . . . A . 133 VAL H . . A . 134 ASP H . 1 . 133 VAL HN . . . 1 . 134 ASP HN . . rr_1kb7 1 23 1 . . 1 1 16 16 CYS H H . . . 1 1 15 15 GLY H H . . . . . 2.7 -1.0 2.8 . . . . . A . 142 CYS H . . A . 141 GLY H . 1 . 142 CYS HN . . . 1 . 141 GLY HN . . rr_1kb7 1 24 1 . . 1 1 10 10 LYS H H . . . 1 1 9 9 ALA H H . . . . . 3.3 -1.0 3.3 . . . . . A . 136 LYS H . . A . 135 ALA H . 1 . 136 LYS HN . . . 1 . 135 ALA HN . . rr_1kb7 1 25 1 . . 1 1 8 8 ASP H H . . . 1 1 9 9 ALA H H . . . . . 5.0 2.3 5.0 . . . . . A . 134 ASP H . . A . 135 ALA H . 1 . 134 ASP HN . . . 1 . 135 ALA HN . . rr_1kb7 1 26 1 . . 1 1 15 15 GLY H H . . . 1 1 14 14 ASN H H . . . . . 3.3 2.3 5.0 . . . . . A . 141 GLY H . . A . 140 ASN H . 1 . 141 GLY HN . . . 1 . 140 ASN HN . . rr_1kb7 1 27 1 . . 1 1 4 4 ALA H H . . . 1 1 3 3 CYS H H . . . . . 2.7 -1.0 3.1 . . . . . A . 130 ALA H . . A . 129 CYS H . 1 . 130 ALA HN . . . 1 . 129 CYS HN . . rr_1kb7 1 28 1 . . 1 1 6 6 THR H H . . . 1 1 6 6 THR HA H . . . . . 2.7 -1.0 3.1 . . . . . A . 132 THR H . . A . 132 THR HA . 1 . 132 THR HN . . . 1 . 132 THR HA . . rr_1kb7 1 29 1 . . 1 1 6 6 THR H H . . . 1 1 6 6 THR HB H . . . . . 2.7 -1.0 2.7 . . . . . A . 132 THR H . . A . 132 THR HB . 1 . 132 THR HN . . . 1 . 132 THR HB . . rr_1kb7 1 30 1 . . 1 1 6 6 THR H H . . . 1 1 4 4 ALA MB H . . . . . 3.3 -1.0 6.5 . . . . . A . 132 THR H . . A . 130 ALA MB . 1 . 132 THR HN . . . 1 . 130 ALA HB* . . rr_1kb7 1 31 1 OR . 1 1 6 6 THR H H . . . 1 1 6 6 THR MG H . . . . . 2.7 -1.0 4.0 . . . . . A . 132 THR H . . A . 132 THR MG . 1 . 132 THR HN . . . 1 . 132 THR HG* . . rr_1kb7 1 31 2 OR . 1 1 6 6 THR H H . . . 1 1 6 6 THR HG1 H . . . . . 2.7 -1.0 4.0 . . . . . A . 132 THR H . . A . 132 THR HG1 . 1 . 132 THR HN . . . 1 . 132 THR HG* . . rr_1kb7 1 32 1 . . 1 1 11 11 PHE HA H . . . 1 1 11 11 PHE H H . . . . . 2.7 -1.0 3.1 . . . . . A . 137 PHE HA . . A . 137 PHE H . 1 . 137 PHE HA . . . 1 . 137 PHE HN . . rr_1kb7 1 33 1 . . 1 1 11 11 PHE H H . . . 1 1 10 10 LYS HA H . . . . . 2.7 -1.0 3.5 . . . . . A . 137 PHE H . . A . 136 LYS HA . 1 . 137 PHE HN . . . 1 . 136 LYS HA . . rr_1kb7 1 34 1 . . 1 1 11 11 PHE HB3 H . . . 1 1 11 11 PHE H H . . . . . 2.7 -1.0 2.7 . . . . . A . 137 PHE HB3 . . A . 137 PHE H . 1 . 137 PHE HBS . . . 1 . 137 PHE HN . . rr_1kb7 1 35 1 . . 1 1 11 11 PHE HB2 H . . . 1 1 11 11 PHE H H . . . . . 2.7 -1.0 2.7 . . . . . A . 137 PHE HB2 . . A . 137 PHE H . 1 . 137 PHE HBR . . . 1 . 137 PHE HN . . rr_1kb7 1 36 1 OR . 1 1 11 11 PHE H H . . . 1 1 10 10 LYS HD2 H . . . . . 3.3 -1.0 3.7 . . . . . A . 137 PHE H . . A . 136 LYS HD2 . 1 . 137 PHE HN . . . 1 . 136 LYS HD* . . rr_1kb7 1 36 2 OR . 1 1 11 11 PHE H H . . . 1 1 10 10 LYS HD3 H . . . . . 3.3 -1.0 3.7 . . . . . A . 137 PHE H . . A . 136 LYS HD3 . 1 . 137 PHE HN . . . 1 . 136 LYS HD* . . rr_1kb7 1 37 1 . . 1 1 9 9 ALA HA H . . . 1 1 11 11 PHE H H . . . . . 5.0 2.3 5.0 . . . . . A . 135 ALA HA . . A . 137 PHE H . 1 . 135 ALA HA . . . 1 . 137 PHE HN . . rr_1kb7 1 38 1 . . 1 1 16 16 CYS H H . . . 1 1 14 14 ASN HA H . . . . . 5.0 2.3 5.0 . . . . . A . 142 CYS H . . A . 140 ASN HA . 1 . 142 CYS HN . . . 1 . 140 ASN HA . . rr_1kb7 1 39 1 . . 1 1 11 11 PHE HA H . . . 1 1 12 12 ARG H H . . . . . 2.7 -1.0 4.0 . . . . . A . 137 PHE HA . . A . 138 ARG H . 1 . 137 PHE HA . . . 1 . 138 ARG HN . . rr_1kb7 1 40 1 . . 1 1 12 12 ARG H H . . . 1 1 12 12 ARG HA H . . . . . 2.7 -1.0 3.1 . . . . . A . 138 ARG H . . A . 138 ARG HA . 1 . 138 ARG HN . . . 1 . 138 ARG HA . . rr_1kb7 1 41 1 . . 1 1 12 12 ARG H H . . . 1 1 10 10 LYS HA H . . . . . 5.0 2.3 5.0 . . . . . A . 138 ARG H . . A . 136 LYS HA . 1 . 138 ARG HN . . . 1 . 136 LYS HA . . rr_1kb7 1 42 1 . . 1 1 12 12 ARG H H . . . 1 1 13 13 PRO HD3 H . . . . . 5.0 2.3 5.0 . . . . . A . 138 ARG H . . A . 139 PRO HD3 . 1 . 138 ARG HN . . . 1 . 139 PRO HDR . . rr_1kb7 1 43 1 . . 1 1 11 11 PHE HB3 H . . . 1 1 12 12 ARG H H . . . . . 3.3 -1.0 3.3 . . . . . A . 137 PHE HB3 . . A . 138 ARG H . 1 . 137 PHE HBS . . . 1 . 138 ARG HN . . rr_1kb7 1 44 1 OR . 1 1 12 12 ARG H H . . . 1 1 12 12 ARG HD2 H . . . . . 3.3 -1.0 4.3 . . . . . A . 138 ARG H . . A . 138 ARG HD2 . 1 . 138 ARG HN . . . 1 . 138 ARG HD* . . rr_1kb7 1 44 2 OR . 1 1 12 12 ARG HD3 H . . . 1 1 12 12 ARG H H . . . . . 3.3 -1.0 4.3 . . . . . A . 138 ARG HD3 . . A . 138 ARG H . 1 . 138 ARG HD* . . . 1 . 138 ARG HN . . rr_1kb7 1 45 1 . . 1 1 11 11 PHE HB2 H . . . 1 1 12 12 ARG H H . . . . . 3.3 -1.0 4.0 . . . . . A . 137 PHE HB2 . . A . 138 ARG H . 1 . 137 PHE HBR . . . 1 . 138 ARG HN . . rr_1kb7 1 46 1 . . 1 1 12 12 ARG HB3 H . . . 1 1 12 12 ARG H H . . . . . 2.7 2.3 4.0 . . . . . A . 138 ARG HB3 . . A . 138 ARG H . 1 . 138 ARG HBS . . . 1 . 138 ARG HN . . rr_1kb7 1 47 1 . . 1 1 12 12 ARG H H . . . 1 1 12 12 ARG HB2 H . . . . . 2.7 -1.0 2.7 . . . . . A . 138 ARG H . . A . 138 ARG HB2 . 1 . 138 ARG HN . . . 1 . 138 ARG HBR . . rr_1kb7 1 48 1 OR . 1 1 12 12 ARG H H . . . 1 1 12 12 ARG HG2 H . . . . . 2.7 -1.0 3.7 . . . . . A . 138 ARG H . . A . 138 ARG HG2 . 1 . 138 ARG HN . . . 1 . 138 ARG HG* . . rr_1kb7 1 48 2 OR . 1 1 12 12 ARG HG3 H . . . 1 1 12 12 ARG H H . . . . . 2.7 -1.0 3.7 . . . . . A . 138 ARG HG3 . . A . 138 ARG H . 1 . 138 ARG HG* . . . 1 . 138 ARG HN . . rr_1kb7 1 49 1 . . 1 1 5 5 THR H H . . . 1 1 5 5 THR HA H . . . . . 2.7 -1.0 3.1 . . . . . A . 131 THR H . . A . 131 THR HA . 1 . 131 THR HN . . . 1 . 131 THR HA . . rr_1kb7 1 50 1 . . 1 1 5 5 THR H H . . . 1 1 5 5 THR HB H . . . . . 2.7 -1.0 2.7 . . . . . A . 131 THR H . . A . 131 THR HB . 1 . 131 THR HN . . . 1 . 131 THR HB . . rr_1kb7 1 51 1 . . 1 1 5 5 THR H H . . . 1 1 4 4 ALA MB H . . . . . 2.7 -1.0 4.2 . . . . . A . 131 THR H . . A . 130 ALA MB . 1 . 131 THR HN . . . 1 . 130 ALA HB* . . rr_1kb7 1 52 1 OR . 1 1 5 5 THR H H . . . 1 1 5 5 THR MG H . . . . . 2.7 -1.0 4.0 . . . . . A . 131 THR H . . A . 131 THR MG . 1 . 131 THR HN . . . 1 . 131 THR HG* . . rr_1kb7 1 52 2 OR . 1 1 5 5 THR H H . . . 1 1 5 5 THR HG1 H . . . . . 2.7 -1.0 4.0 . . . . . A . 131 THR H . . A . 131 THR HG1 . 1 . 131 THR HN . . . 1 . 131 THR HG* . . rr_1kb7 1 53 1 . . 1 1 18 18 ASP H H . . . 1 1 18 18 ASP HA H . . . . . 2.7 -1.0 3.1 . . . . . A . 144 ASP H . . A . 144 ASP HA . 1 . 144 ASP HN . . . 1 . 144 ASP HA . . rr_1kb7 1 54 1 . . 1 1 18 18 ASP H H . . . 1 1 18 18 ASP HB2 H . . . . . 5.0 2.3 5.0 . . . . . A . 144 ASP H . . A . 144 ASP HB2 . 1 . 144 ASP HN . . . 1 . 144 ASP HBS . . rr_1kb7 1 55 1 . . 1 1 18 18 ASP H H . . . 1 1 18 18 ASP HB3 H . . . . . 2.7 -1.0 2.7 . . . . . A . 144 ASP H . . A . 144 ASP HB3 . 1 . 144 ASP HN . . . 1 . 144 ASP HBR . . rr_1kb7 1 56 1 . . 1 1 7 7 VAL H H . . . 1 1 7 7 VAL HA H . . . . . 2.7 -1.0 3.1 . . . . . A . 133 VAL H . . A . 133 VAL HA . 1 . 133 VAL HN . . . 1 . 133 VAL HA . . rr_1kb7 1 57 1 . . 1 1 7 7 VAL H H . . . 1 1 7 7 VAL HB H . . . . . 2.7 -1.0 3.3 . . . . . A . 133 VAL H . . A . 133 VAL HB . 1 . 133 VAL HN . . . 1 . 133 VAL HB . . rr_1kb7 1 58 1 OR . 1 1 7 7 VAL H H . . . 1 1 7 7 VAL MG1 H . . . . . 2.7 -1.0 5.6 . . . . . A . 133 VAL H . . A . 133 VAL MG1 . 1 . 133 VAL HN . . . 1 . 133 VAL HG* . . rr_1kb7 1 58 2 OR . 1 1 7 7 VAL MG2 H . . . 1 1 7 7 VAL H H . . . . . 2.7 -1.0 5.6 . . . . . A . 133 VAL MG2 . . A . 133 VAL H . 1 . 133 VAL HG* . . . 1 . 133 VAL HN . . rr_1kb7 1 59 1 . . 1 1 16 16 CYS H H . . . 1 1 16 16 CYS HA H . . . . . 2.7 -1.0 3.1 . . . . . A . 142 CYS H . . A . 142 CYS HA . 1 . 142 CYS HN . . . 1 . 142 CYS HA . . rr_1kb7 1 60 1 . . 1 1 16 16 CYS H H . . . 1 1 15 15 GLY HA3 H . . . . . 2.7 2.3 3.6 . . . . . A . 142 CYS H . . A . 141 GLY HA3 . 1 . 142 CYS HN . . . 1 . 141 GLY HAS . . rr_1kb7 1 61 1 . . 1 1 16 16 CYS H H . . . 1 1 15 15 GLY HA2 H . . . . . 2.7 -1.0 2.8 . . . . . A . 142 CYS H . . A . 141 GLY HA2 . 1 . 142 CYS HN . . . 1 . 141 GLY HAR . . rr_1kb7 1 62 1 . . 1 1 16 16 CYS H H . . . 1 1 16 16 CYS HB2 H . . . . . 2.7 -1.0 2.7 . . . . . A . 142 CYS H . . A . 142 CYS HB2 . 1 . 142 CYS HN . . . 1 . 142 CYS HBS . . rr_1kb7 1 63 1 . . 1 1 16 16 CYS H H . . . 1 1 16 16 CYS HB3 H . . . . . 2.7 -1.0 2.7 . . . . . A . 142 CYS H . . A . 142 CYS HB3 . 1 . 142 CYS HN . . . 1 . 142 CYS HBR . . rr_1kb7 1 64 1 . . 1 1 9 9 ALA H H . . . 1 1 8 8 ASP HA H . . . . . 2.7 -1.0 2.7 . . . . . A . 135 ALA H . . A . 134 ASP HA . 1 . 135 ALA HN . . . 1 . 134 ASP HA . . rr_1kb7 1 65 1 . . 1 1 9 9 ALA HA H . . . 1 1 9 9 ALA H H . . . . . 2.7 -1.0 2.9 . . . . . A . 135 ALA HA . . A . 135 ALA H . 1 . 135 ALA HA . . . 1 . 135 ALA HN . . rr_1kb7 1 66 1 OR . 1 1 9 9 ALA H H . . . 1 1 8 8 ASP HB2 H . . . . . 2.7 -1.0 3.7 . . . . . A . 135 ALA H . . A . 134 ASP HB2 . 1 . 135 ALA HN . . . 1 . 134 ASP HB* . . rr_1kb7 1 66 2 OR . 1 1 8 8 ASP HB3 H . . . 1 1 9 9 ALA H H . . . . . 2.7 -1.0 3.7 . . . . . A . 134 ASP HB3 . . A . 135 ALA H . 1 . 134 ASP HB* . . . 1 . 135 ALA HN . . rr_1kb7 1 67 1 . . 1 1 9 9 ALA MB H . . . 1 1 9 9 ALA H H . . . . . 2.7 -1.0 4.2 . . . . . A . 135 ALA MB . . A . 135 ALA H . 1 . 135 ALA HB* . . . 1 . 135 ALA HN . . rr_1kb7 1 68 1 . . 1 1 10 10 LYS H H . . . 1 1 8 8 ASP HA H . . . . . 3.3 2.3 5.0 . . . . . A . 136 LYS H . . A . 134 ASP HA . 1 . 136 LYS HN . . . 1 . 134 ASP HA . . rr_1kb7 1 69 1 . . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HA H . . . . . 2.7 -1.0 3.1 . . . . . A . 136 LYS H . . A . 136 LYS HA . 1 . 136 LYS HN . . . 1 . 136 LYS HA . . rr_1kb7 1 70 1 . . 1 1 9 9 ALA HA H . . . 1 1 10 10 LYS H H . . . . . 2.7 -1.0 4.0 . . . . . A . 135 ALA HA . . A . 136 LYS H . 1 . 135 ALA HA . . . 1 . 136 LYS HN . . rr_1kb7 1 71 1 OR . 1 1 10 10 LYS H H . . . 1 1 8 8 ASP HB2 H . . . . . 5.0 2.3 6.0 . . . . . A . 136 LYS H . . A . 134 ASP HB2 . 1 . 136 LYS HN . . . 1 . 134 ASP HB* . . rr_1kb7 1 71 2 OR . 1 1 8 8 ASP HB3 H . . . 1 1 10 10 LYS H H . . . . . 5.0 2.3 6.0 . . . . . A . 134 ASP HB3 . . A . 136 LYS H . 1 . 134 ASP HB* . . . 1 . 136 LYS HN . . rr_1kb7 1 72 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB2 H . . . . . 2.7 -1.0 3.7 . . . . . A . 136 LYS H . . A . 136 LYS HB2 . 1 . 136 LYS HN . . . 1 . 136 LYS HB* . . rr_1kb7 1 72 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB3 H . . . . . 2.7 -1.0 3.7 . . . . . A . 136 LYS H . . A . 136 LYS HB3 . 1 . 136 LYS HN . . . 1 . 136 LYS HB* . . rr_1kb7 1 73 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HD2 H . . . . . 2.7 -1.0 3.7 . . . . . A . 136 LYS H . . A . 136 LYS HD2 . 1 . 136 LYS HN . . . 1 . 136 LYS HD* . . rr_1kb7 1 73 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HD3 H . . . . . 2.7 -1.0 3.7 . . . . . A . 136 LYS H . . A . 136 LYS HD3 . 1 . 136 LYS HN . . . 1 . 136 LYS HD* . . rr_1kb7 1 74 1 . . 1 1 10 10 LYS H H . . . 1 1 9 9 ALA MB H . . . . . 3.3 -1.0 4.8 . . . . . A . 136 LYS H . . A . 135 ALA MB . 1 . 136 LYS HN . . . 1 . 135 ALA HB* . . rr_1kb7 1 75 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HG2 H . . . . . 2.7 -1.0 3.7 . . . . . A . 136 LYS H . . A . 136 LYS HG2 . 1 . 136 LYS HN . . . 1 . 136 LYS HG* . . rr_1kb7 1 75 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HG3 H . . . . . 2.7 -1.0 3.7 . . . . . A . 136 LYS H . . A . 136 LYS HG3 . 1 . 136 LYS HN . . . 1 . 136 LYS HG* . . rr_1kb7 1 76 1 . . 1 1 4 4 ALA H H . . . 1 1 3 3 CYS HA H . . . . . 2.7 -1.0 3.6 . . . . . A . 130 ALA H . . A . 129 CYS HA . 1 . 130 ALA HN . . . 1 . 129 CYS HA . . rr_1kb7 1 77 1 . . 1 1 4 4 ALA H H . . . 1 1 4 4 ALA HA H . . . . . 2.7 -1.0 3.1 . . . . . A . 130 ALA H . . A . 130 ALA HA . 1 . 130 ALA HN . . . 1 . 130 ALA HA . . rr_1kb7 1 78 1 . . 1 1 4 4 ALA H H . . . 1 1 3 3 CYS HB2 H . . . . . 3.3 2.3 4.0 . . . . . A . 130 ALA H . . A . 129 CYS HB2 . 1 . 130 ALA HN . . . 1 . 129 CYS HBS . . rr_1kb7 1 79 1 . . 1 1 4 4 ALA H H . . . 1 1 3 3 CYS HB3 H . . . . . 3.3 -1.0 2.7 . . . . . A . 130 ALA H . . A . 129 CYS HB3 . 1 . 130 ALA HN . . . 1 . 129 CYS HBR . . rr_1kb7 1 80 1 . . 1 1 4 4 ALA H H . . . 1 1 4 4 ALA MB H . . . . . 2.7 -1.0 4.2 . . . . . A . 130 ALA H . . A . 130 ALA MB . 1 . 130 ALA HN . . . 1 . 130 ALA HB* . . rr_1kb7 1 81 1 . . 1 1 2 2 SER H H . . . 1 1 2 2 SER HA H . . . . . 2.7 -1.0 3.1 . . . . . A . 128 SER H . . A . 128 SER HA . 1 . 128 SER HN . . . 1 . 128 SER HA . . rr_1kb7 1 82 1 . . 1 1 2 2 SER H H . . . 1 1 2 2 SER HB2 H . . . . . 3.3 2.3 4.0 . . . . . A . 128 SER H . . A . 128 SER HB2 . 1 . 128 SER HN . . . 1 . 128 SER HBS . . rr_1kb7 1 83 1 . . 1 1 2 2 SER H H . . . 1 1 2 2 SER HB3 H . . . . . 2.7 -1.0 2.7 . . . . . A . 128 SER H . . A . 128 SER HB3 . 1 . 128 SER HN . . . 1 . 128 SER HBR . . rr_1kb7 1 84 1 OR . 1 1 2 2 SER H H . . . 1 1 5 5 THR MG H . . . . . 3.3 -1.0 4.2 . . . . . A . 128 SER H . . A . 131 THR MG . 1 . 128 SER HN . . . 1 . 131 THR HG* . . rr_1kb7 1 84 2 OR . 1 1 5 5 THR HG1 H . . . 1 1 2 2 SER H H . . . . . 3.3 -1.0 4.2 . . . . . A . 131 THR HG1 . . A . 128 SER H . 1 . 131 THR HG* . . . 1 . 128 SER HN . . rr_1kb7 1 85 1 . . 1 1 8 8 ASP H H . . . 1 1 8 8 ASP HA H . . . . . 2.7 -1.0 3.1 . . . . . A . 134 ASP H . . A . 134 ASP HA . 1 . 134 ASP HN . . . 1 . 134 ASP HA . . rr_1kb7 1 86 1 . . 1 1 8 8 ASP H H . . . 1 1 7 7 VAL HA H . . . . . 2.7 -1.0 2.7 . . . . . A . 134 ASP H . . A . 133 VAL HA . 1 . 134 ASP HN . . . 1 . 133 VAL HA . . rr_1kb7 1 87 1 OR . 1 1 8 8 ASP H H . . . 1 1 8 8 ASP HB2 H . . . . . 2.7 -1.0 3.7 . . . . . A . 134 ASP H . . A . 134 ASP HB2 . 1 . 134 ASP HN . . . 1 . 134 ASP HB* . . rr_1kb7 1 87 2 OR . 1 1 8 8 ASP HB3 H . . . 1 1 8 8 ASP H H . . . . . 2.7 -1.0 3.7 . . . . . A . 134 ASP HB3 . . A . 134 ASP H . 1 . 134 ASP HB* . . . 1 . 134 ASP HN . . rr_1kb7 1 88 1 OR . 1 1 8 8 ASP H H . . . 1 1 7 7 VAL MG1 H . . . . . 2.7 -1.0 5.6 . . . . . A . 134 ASP H . . A . 133 VAL MG1 . 1 . 134 ASP HN . . . 1 . 133 VAL HG* . . rr_1kb7 1 88 2 OR . 1 1 7 7 VAL MG2 H . . . 1 1 8 8 ASP H H . . . . . 2.7 -1.0 5.6 . . . . . A . 133 VAL MG2 . . A . 134 ASP H . 1 . 133 VAL HG* . . . 1 . 134 ASP HN . . rr_1kb7 1 89 1 . . 1 1 15 15 GLY H H . . . 1 1 15 15 GLY HA3 H . . . . . 2.7 -1.0 2.9 . . . . . A . 141 GLY H . . A . 141 GLY HA3 . 1 . 141 GLY HN . . . 1 . 141 GLY HAS . . rr_1kb7 1 90 1 . . 1 1 15 15 GLY H H . . . 1 1 15 15 GLY HA2 H . . . . . 2.7 -1.0 3.1 . . . . . A . 141 GLY H . . A . 141 GLY HA2 . 1 . 141 GLY HN . . . 1 . 141 GLY HAR . . rr_1kb7 1 91 1 . . 1 1 15 15 GLY H H . . . 1 1 14 14 ASN HA H . . . . . 2.7 -1.0 2.7 . . . . . A . 141 GLY H . . A . 140 ASN HA . 1 . 141 GLY HN . . . 1 . 140 ASN HA . . rr_1kb7 1 92 1 OR . 1 1 15 15 GLY H H . . . 1 1 14 14 ASN HB2 H . . . . . 3.3 -1.0 4.3 . . . . . A . 141 GLY H . . A . 140 ASN HB2 . 1 . 141 GLY HN . . . 1 . 140 ASN HB* . . rr_1kb7 1 92 2 OR . 1 1 14 14 ASN HB3 H . . . 1 1 15 15 GLY H H . . . . . 3.3 -1.0 4.3 . . . . . A . 140 ASN HB3 . . A . 141 GLY H . 1 . 140 ASN HB* . . . 1 . 141 GLY HN . . rr_1kb7 1 93 1 . . 1 1 16 16 CYS HA H . . . 1 1 17 17 THR H H . . . . . 2.7 2.3 4.0 . . . . . A . 142 CYS HA . . A . 143 THR H . 1 . 142 CYS HA . . . 1 . 143 THR HN . . rr_1kb7 1 94 1 . . 1 1 17 17 THR H H . . . 1 1 17 17 THR HA H . . . . . 2.7 -1.0 3.1 . . . . . A . 143 THR H . . A . 143 THR HA . 1 . 143 THR HN . . . 1 . 143 THR HA . . rr_1kb7 1 95 1 . . 1 1 17 17 THR H H . . . 1 1 17 17 THR HB H . . . . . 3.3 -1.0 3.3 . . . . . A . 143 THR H . . A . 143 THR HB . 1 . 143 THR HN . . . 1 . 143 THR HB . . rr_1kb7 1 96 1 . . 1 1 16 16 CYS HB2 H . . . 1 1 17 17 THR H H . . . . . 3.3 -1.0 2.7 . . . . . A . 142 CYS HB2 . . A . 143 THR H . 1 . 142 CYS HBS . . . 1 . 143 THR HN . . rr_1kb7 1 97 1 . . 1 1 16 16 CYS HB3 H . . . 1 1 17 17 THR H H . . . . . 3.3 2.3 3.9 . . . . . A . 142 CYS HB3 . . A . 143 THR H . 1 . 142 CYS HBR . . . 1 . 143 THR HN . . rr_1kb7 1 98 1 OR . 1 1 17 17 THR H H . . . 1 1 17 17 THR MG H . . . . . 3.3 -1.0 3.8 . . . . . A . 143 THR H . . A . 143 THR MG . 1 . 143 THR HN . . . 1 . 143 THR HG* . . rr_1kb7 1 98 2 OR . 1 1 17 17 THR H H . . . 1 1 17 17 THR HG1 H . . . . . 3.3 -1.0 3.8 . . . . . A . 143 THR H . . A . 143 THR HG1 . 1 . 143 THR HN . . . 1 . 143 THR HG* . . rr_1kb7 1 99 1 . . 1 1 14 14 ASN H H . . . 1 1 14 14 ASN HA H . . . . . 2.7 -1.0 2.7 . . . . . A . 140 ASN H . . A . 140 ASN HA . 1 . 140 ASN HN . . . 1 . 140 ASN HA . . rr_1kb7 1 100 1 . . 1 1 14 14 ASN H H . . . 1 1 13 13 PRO HA H . . . . . 2.7 -1.0 2.7 . . . . . A . 140 ASN H . . A . 139 PRO HA . 1 . 140 ASN HN . . . 1 . 139 PRO HA . . rr_1kb7 1 101 1 OR . 1 1 14 14 ASN H H . . . 1 1 14 14 ASN HB2 H . . . . . 2.7 -1.0 3.7 . . . . . A . 140 ASN H . . A . 140 ASN HB2 . 1 . 140 ASN HN . . . 1 . 140 ASN HB* . . rr_1kb7 1 101 2 OR . 1 1 14 14 ASN HB3 H . . . 1 1 14 14 ASN H H . . . . . 2.7 -1.0 3.7 . . . . . A . 140 ASN HB3 . . A . 140 ASN H . 1 . 140 ASN HB* . . . 1 . 140 ASN HN . . rr_1kb7 1 102 1 . . 1 1 14 14 ASN H H . . . 1 1 13 13 PRO HB3 H . . . . . 3.3 2.3 4.0 . . . . . A . 140 ASN H . . A . 139 PRO HB3 . 1 . 140 ASN HN . . . 1 . 139 PRO HBS . . rr_1kb7 1 103 1 . . 1 1 14 14 ASN H H . . . 1 1 13 13 PRO HB2 H . . . . . 2.7 2.3 4.2 . . . . . A . 140 ASN H . . A . 139 PRO HB2 . 1 . 140 ASN HN . . . 1 . 139 PRO HBR . . rr_1kb7 1 104 1 . . 1 1 3 3 CYS H H . . . 1 1 3 3 CYS HA H . . . . . 2.7 -1.0 3.0 . . . . . A . 129 CYS H . . A . 129 CYS HA . 1 . 129 CYS HN . . . 1 . 129 CYS HA . . rr_1kb7 1 105 1 . . 1 1 3 3 CYS H H . . . 1 1 2 2 SER HA H . . . . . 2.7 -1.0 2.7 . . . . . A . 129 CYS H . . A . 128 SER HA . 1 . 129 CYS HN . . . 1 . 128 SER HA . . rr_1kb7 1 106 1 . . 1 1 3 3 CYS H H . . . 1 1 2 2 SER HB2 H . . . . . 3.3 -1.0 3.3 . . . . . A . 129 CYS H . . A . 128 SER HB2 . 1 . 129 CYS HN . . . 1 . 128 SER HBS . . rr_1kb7 1 107 1 . . 1 1 3 3 CYS H H . . . 1 1 2 2 SER HB3 H . . . . . 5.0 2.3 5.0 . . . . . A . 129 CYS H . . A . 128 SER HB3 . 1 . 129 CYS HN . . . 1 . 128 SER HBR . . rr_1kb7 1 108 1 . . 1 1 3 3 CYS H H . . . 1 1 3 3 CYS HB2 H . . . . . 2.7 -1.0 2.7 . . . . . A . 129 CYS H . . A . 129 CYS HB2 . 1 . 129 CYS HN . . . 1 . 129 CYS HBS . . rr_1kb7 1 109 1 . . 1 1 3 3 CYS H H . . . 1 1 3 3 CYS HB3 H . . . . . 2.7 -1.0 3.1 . . . . . A . 129 CYS H . . A . 129 CYS HB3 . 1 . 129 CYS HN . . . 1 . 129 CYS HBR . . rr_1kb7 1 110 1 . . 1 1 3 3 CYS H H . . . 1 1 4 4 ALA MB H . . . . . 5.0 2.3 6.5 . . . . . A . 129 CYS H . . A . 130 ALA MB . 1 . 129 CYS HN . . . 1 . 130 ALA HB* . . rr_1kb7 1 111 1 . . 1 1 16 16 CYS HA H . . . 1 1 16 16 CYS HB2 H . . . . . 2.7 -1.0 3.3 . . . . . A . 142 CYS HA . . A . 142 CYS HB2 . 1 . 142 CYS HA . . . 1 . 142 CYS HBS . . rr_1kb7 1 112 1 . . 1 1 16 16 CYS HA H . . . 1 1 16 16 CYS HB3 H . . . . . 2.7 -1.0 2.7 . . . . . A . 142 CYS HA . . A . 142 CYS HB3 . 1 . 142 CYS HA . . . 1 . 142 CYS HBR . . rr_1kb7 1 113 1 . . 1 1 3 3 CYS HA H . . . 1 1 13 13 PRO HD2 H . . . . . 5.0 2.3 5.0 . . . . . A . 129 CYS HA . . A . 139 PRO HD2 . 1 . 129 CYS HA . . . 1 . 139 PRO HDS . . rr_1kb7 1 114 1 . . 1 1 3 3 CYS HA H . . . 1 1 3 3 CYS HB2 H . . . . . 2.7 -1.0 2.7 . . . . . A . 129 CYS HA . . A . 129 CYS HB2 . 1 . 129 CYS HA . . . 1 . 129 CYS HBS . . rr_1kb7 1 115 1 . . 1 1 3 3 CYS HA H . . . 1 1 3 3 CYS HB3 H . . . . . 2.7 -1.0 2.7 . . . . . A . 129 CYS HA . . A . 129 CYS HB3 . 1 . 129 CYS HA . . . 1 . 129 CYS HBR . . rr_1kb7 1 116 1 . . 1 1 11 11 PHE HA H . . . 1 1 11 11 PHE HB3 H . . . . . 2.7 -1.0 2.7 . . . . . A . 137 PHE HA . . A . 137 PHE HB3 . 1 . 137 PHE HA . . . 1 . 137 PHE HBS . . rr_1kb7 1 117 1 . . 1 1 11 11 PHE HA H . . . 1 1 11 11 PHE HB2 H . . . . . 2.7 -1.0 2.7 . . . . . A . 137 PHE HA . . A . 137 PHE HB2 . 1 . 137 PHE HA . . . 1 . 137 PHE HBR . . rr_1kb7 1 118 1 OR . 1 1 14 14 ASN HA H . . . 1 1 14 14 ASN HB2 H . . . . . 2.7 -1.0 3.7 . . . . . A . 140 ASN HA . . A . 140 ASN HB2 . 1 . 140 ASN HA . . . 1 . 140 ASN HB* . . rr_1kb7 1 118 2 OR . 1 1 14 14 ASN HB3 H . . . 1 1 14 14 ASN HA H . . . . . 2.7 -1.0 3.7 . . . . . A . 140 ASN HB3 . . A . 140 ASN HA . 1 . 140 ASN HB* . . . 1 . 140 ASN HA . . rr_1kb7 1 119 1 . . 1 1 12 12 ARG HA H . . . 1 1 13 13 PRO HD3 H . . . . . 2.7 -1.0 2.7 . . . . . A . 138 ARG HA . . A . 139 PRO HD3 . 1 . 138 ARG HA . . . 1 . 139 PRO HDR . . rr_1kb7 1 120 1 . . 1 1 12 12 ARG HA H . . . 1 1 13 13 PRO HD2 H . . . . . 2.7 -1.0 2.7 . . . . . A . 138 ARG HA . . A . 139 PRO HD2 . 1 . 138 ARG HA . . . 1 . 139 PRO HDS . . rr_1kb7 1 121 1 OR . 1 1 12 12 ARG HA H . . . 1 1 12 12 ARG HD2 H . . . . . 3.3 -1.0 4.3 . . . . . A . 138 ARG HA . . A . 138 ARG HD2 . 1 . 138 ARG HA . . . 1 . 138 ARG HD* . . rr_1kb7 1 121 2 OR . 1 1 12 12 ARG HD3 H . . . 1 1 12 12 ARG HA H . . . . . 3.3 -1.0 4.3 . . . . . A . 138 ARG HD3 . . A . 138 ARG HA . 1 . 138 ARG HD* . . . 1 . 138 ARG HA . . rr_1kb7 1 122 1 . . 1 1 12 12 ARG HA H . . . 1 1 13 13 PRO HB2 H . . . . . 3.3 -1.0 5.0 . . . . . A . 138 ARG HA . . A . 139 PRO HB2 . 1 . 138 ARG HA . . . 1 . 139 PRO HBR . . rr_1kb7 1 123 1 . . 1 1 12 12 ARG HB3 H . . . 1 1 12 12 ARG HA H . . . . . 2.7 -1.0 2.7 . . . . . A . 138 ARG HB3 . . A . 138 ARG HA . 1 . 138 ARG HBS . . . 1 . 138 ARG HA . . rr_1kb7 1 124 1 . . 1 1 12 12 ARG HA H . . . 1 1 12 12 ARG HB2 H . . . . . 2.7 -1.0 3.1 . . . . . A . 138 ARG HA . . A . 138 ARG HB2 . 1 . 138 ARG HA . . . 1 . 138 ARG HBR . . rr_1kb7 1 125 1 OR . 1 1 12 12 ARG HA H . . . 1 1 12 12 ARG HG2 H . . . . . 2.7 -1.0 3.7 . . . . . A . 138 ARG HA . . A . 138 ARG HG2 . 1 . 138 ARG HA . . . 1 . 138 ARG HG* . . rr_1kb7 1 125 2 OR . 1 1 12 12 ARG HG3 H . . . 1 1 12 12 ARG HA H . . . . . 2.7 -1.0 3.7 . . . . . A . 138 ARG HG3 . . A . 138 ARG HA . 1 . 138 ARG HG* . . . 1 . 138 ARG HA . . rr_1kb7 1 126 1 . . 1 1 7 7 VAL HA H . . . 1 1 8 8 ASP HA H . . . . . 5.0 2.3 5.0 . . . . . A . 133 VAL HA . . A . 134 ASP HA . 1 . 133 VAL HA . . . 1 . 134 ASP HA . . rr_1kb7 1 127 1 OR . 1 1 8 8 ASP HA H . . . 1 1 8 8 ASP HB2 H . . . . . 2.7 -1.0 3.7 . . . . . A . 134 ASP HA . . A . 134 ASP HB2 . 1 . 134 ASP HA . . . 1 . 134 ASP HB* . . rr_1kb7 1 127 2 OR . 1 1 8 8 ASP HB3 H . . . 1 1 8 8 ASP HA H . . . . . 2.7 -1.0 3.7 . . . . . A . 134 ASP HB3 . . A . 134 ASP HA . 1 . 134 ASP HB* . . . 1 . 134 ASP HA . . rr_1kb7 1 128 1 OR . 1 1 8 8 ASP HA H . . . 1 1 7 7 VAL MG1 H . . . . . 5.0 2.3 7.9 . . . . . A . 134 ASP HA . . A . 133 VAL MG1 . 1 . 134 ASP HA . . . 1 . 133 VAL HG* . . rr_1kb7 1 128 2 OR . 1 1 7 7 VAL MG2 H . . . 1 1 8 8 ASP HA H . . . . . 5.0 2.3 7.9 . . . . . A . 133 VAL MG2 . . A . 134 ASP HA . 1 . 133 VAL HG* . . . 1 . 134 ASP HA . . rr_1kb7 1 129 1 . . 1 1 2 2 SER HA H . . . 1 1 2 2 SER HB2 H . . . . . 2.7 -1.0 2.7 . . . . . A . 128 SER HA . . A . 128 SER HB2 . 1 . 128 SER HA . . . 1 . 128 SER HBS . . rr_1kb7 1 130 1 . . 1 1 2 2 SER HA H . . . 1 1 2 2 SER HB3 H . . . . . 2.7 -1.0 2.7 . . . . . A . 128 SER HA . . A . 128 SER HB3 . 1 . 128 SER HA . . . 1 . 128 SER HBR . . rr_1kb7 1 131 1 . . 1 1 17 17 THR HA H . . . 1 1 17 17 THR HB H . . . . . 3.3 -1.0 3.3 . . . . . A . 143 THR HA . . A . 143 THR HB . 1 . 143 THR HA . . . 1 . 143 THR HB . . rr_1kb7 1 132 1 . . 1 1 18 18 ASP HA H . . . 1 1 18 18 ASP HB2 H . . . . . 2.7 -1.0 2.7 . . . . . A . 144 ASP HA . . A . 144 ASP HB2 . 1 . 144 ASP HA . . . 1 . 144 ASP HBS . . rr_1kb7 1 133 1 . . 1 1 18 18 ASP HA H . . . 1 1 18 18 ASP HB3 H . . . . . 3.3 -1.0 3.3 . . . . . A . 144 ASP HA . . A . 144 ASP HB3 . 1 . 144 ASP HA . . . 1 . 144 ASP HBR . . rr_1kb7 1 134 1 OR . 1 1 17 17 THR HA H . . . 1 1 17 17 THR MG H . . . . . 2.7 -1.0 3.2 . . . . . A . 143 THR HA . . A . 143 THR MG . 1 . 143 THR HA . . . 1 . 143 THR HG* . . rr_1kb7 1 134 2 OR . 1 1 17 17 THR HA H . . . 1 1 17 17 THR HG1 H . . . . . 2.7 -1.0 3.2 . . . . . A . 143 THR HA . . A . 143 THR HG1 . 1 . 143 THR HA . . . 1 . 143 THR HG* . . rr_1kb7 1 135 1 . . 1 1 6 6 THR HA H . . . 1 1 6 6 THR HB H . . . . . 3.3 -1.0 3.3 . . . . . A . 132 THR HA . . A . 132 THR HB . 1 . 132 THR HA . . . 1 . 132 THR HB . . rr_1kb7 1 136 1 . . 1 1 4 4 ALA MB H . . . 1 1 5 5 THR HA H . . . . . 5.0 2.3 6.5 . . . . . A . 130 ALA MB . . A . 131 THR HA . 1 . 130 ALA HB* . . . 1 . 131 THR HA . . rr_1kb7 1 137 1 OR . 1 1 6 6 THR HA H . . . 1 1 6 6 THR MG H . . . . . 2.7 -1.0 2.7 . . . . . A . 132 THR HA . . A . 132 THR MG . 1 . 132 THR HA . . . 1 . 132 THR HG* . . rr_1kb7 1 137 2 OR . 1 1 6 6 THR HA H . . . 1 1 6 6 THR HG1 H . . . . . 2.7 -1.0 2.7 . . . . . A . 132 THR HA . . A . 132 THR HG1 . 1 . 132 THR HA . . . 1 . 132 THR HG* . . rr_1kb7 1 138 1 . . 1 1 13 13 PRO HD3 H . . . 1 1 13 13 PRO HA H . . . . . 5.0 2.3 5.0 . . . . . A . 139 PRO HD3 . . A . 139 PRO HA . 1 . 139 PRO HDR . . . 1 . 139 PRO HA . . rr_1kb7 1 139 1 . . 1 1 13 13 PRO HA H . . . 1 1 13 13 PRO HB3 H . . . . . 2.7 -1.0 2.9 . . . . . A . 139 PRO HA . . A . 139 PRO HB3 . 1 . 139 PRO HA . . . 1 . 139 PRO HBS . . rr_1kb7 1 140 1 . . 1 1 13 13 PRO HA H . . . 1 1 13 13 PRO HB2 H . . . . . 2.7 -1.0 2.7 . . . . . A . 139 PRO HA . . A . 139 PRO HB2 . 1 . 139 PRO HA . . . 1 . 139 PRO HBR . . rr_1kb7 1 141 1 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HB2 H . . . . . 2.7 -1.0 3.7 . . . . . A . 136 LYS HA . . A . 136 LYS HB2 . 1 . 136 LYS HA . . . 1 . 136 LYS HB* . . rr_1kb7 1 141 2 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HB3 H . . . . . 2.7 -1.0 3.7 . . . . . A . 136 LYS HA . . A . 136 LYS HB3 . 1 . 136 LYS HA . . . 1 . 136 LYS HB* . . rr_1kb7 1 142 1 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HD2 H . . . . . 2.7 -1.0 4.3 . . . . . A . 136 LYS HA . . A . 136 LYS HD2 . 1 . 136 LYS HA . . . 1 . 136 LYS HD* . . rr_1kb7 1 142 2 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HD3 H . . . . . 2.7 -1.0 4.3 . . . . . A . 136 LYS HA . . A . 136 LYS HD3 . 1 . 136 LYS HA . . . 1 . 136 LYS HD* . . rr_1kb7 1 143 1 . . 1 1 9 9 ALA HA H . . . 1 1 9 9 ALA MB H . . . . . 2.7 -1.0 4.2 . . . . . A . 135 ALA HA . . A . 135 ALA MB . 1 . 135 ALA HA . . . 1 . 135 ALA HB* . . rr_1kb7 1 144 1 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HG2 H . . . . . 2.7 -1.0 3.7 . . . . . A . 136 LYS HA . . A . 136 LYS HG2 . 1 . 136 LYS HA . . . 1 . 136 LYS HG* . . rr_1kb7 1 144 2 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HG3 H . . . . . 2.7 -1.0 3.7 . . . . . A . 136 LYS HA . . A . 136 LYS HG3 . 1 . 136 LYS HA . . . 1 . 136 LYS HG* . . rr_1kb7 1 145 1 OR . 1 1 9 9 ALA HA H . . . 1 1 12 12 ARG HD2 H . . . . . 3.3 -1.0 4.3 . . . . . A . 135 ALA HA . . A . 138 ARG HD2 . 1 . 135 ALA HA . . . 1 . 138 ARG HD* . . rr_1kb7 1 145 2 OR . 1 1 12 12 ARG HD3 H . . . 1 1 9 9 ALA HA H . . . . . 3.3 -1.0 4.3 . . . . . A . 138 ARG HD3 . . A . 135 ALA HA . 1 . 138 ARG HD* . . . 1 . 135 ALA HA . . rr_1kb7 1 146 1 . . 1 1 7 7 VAL HA H . . . 1 1 7 7 VAL HB H . . . . . 2.7 -1.0 2.7 . . . . . A . 133 VAL HA . . A . 133 VAL HB . 1 . 133 VAL HA . . . 1 . 133 VAL HB . . rr_1kb7 1 147 1 OR . 1 1 7 7 VAL HA H . . . 1 1 7 7 VAL MG1 H . . . . . 2.7 -1.0 5.6 . . . . . A . 133 VAL HA . . A . 133 VAL MG1 . 1 . 133 VAL HA . . . 1 . 133 VAL HG* . . rr_1kb7 1 147 2 OR . 1 1 7 7 VAL MG2 H . . . 1 1 7 7 VAL HA H . . . . . 2.7 -1.0 5.6 . . . . . A . 133 VAL MG2 . . A . 133 VAL HA . 1 . 133 VAL HG* . . . 1 . 133 VAL HA . . rr_1kb7 1 148 1 . . 1 1 13 13 PRO HD3 H . . . 1 1 13 13 PRO HB3 H . . . . . 3.3 -1.0 4.2 . . . . . A . 139 PRO HD3 . . A . 139 PRO HB3 . 1 . 139 PRO HDR . . . 1 . 139 PRO HBS . . rr_1kb7 1 149 1 . . 1 1 13 13 PRO HD3 H . . . 1 1 13 13 PRO HB2 H . . . . . 2.7 -1.0 4.0 . . . . . A . 139 PRO HD3 . . A . 139 PRO HB2 . 1 . 139 PRO HDR . . . 1 . 139 PRO HBR . . rr_1kb7 1 150 1 . . 1 1 12 12 ARG HB3 H . . . 1 1 13 13 PRO HD3 H . . . . . 5.0 -1.0 5.0 . . . . . A . 138 ARG HB3 . . A . 139 PRO HD3 . 1 . 138 ARG HBS . . . 1 . 139 PRO HDR . . rr_1kb7 1 151 1 . . 1 1 13 13 PRO HD3 H . . . 1 1 12 12 ARG HB2 H . . . . . 3.3 -1.0 4.0 . . . . . A . 139 PRO HD3 . . A . 138 ARG HB2 . 1 . 139 PRO HDR . . . 1 . 138 ARG HBR . . rr_1kb7 1 152 1 OR . 1 1 13 13 PRO HD3 H . . . 1 1 12 12 ARG HG2 H . . . . . 5.0 2.3 5.0 . . . . . A . 139 PRO HD3 . . A . 138 ARG HG2 . 1 . 139 PRO HDR . . . 1 . 138 ARG HG* . . rr_1kb7 1 152 2 OR . 1 1 12 12 ARG HG3 H . . . 1 1 13 13 PRO HD3 H . . . . . 5.0 2.3 5.0 . . . . . A . 138 ARG HG3 . . A . 139 PRO HD3 . 1 . 138 ARG HG* . . . 1 . 139 PRO HDR . . rr_1kb7 1 153 1 . . 1 1 13 13 PRO HB3 H . . . 1 1 13 13 PRO HD2 H . . . . . 3.3 -1.0 4.2 . . . . . A . 139 PRO HB3 . . A . 139 PRO HD2 . 1 . 139 PRO HBS . . . 1 . 139 PRO HDS . . rr_1kb7 1 154 1 . . 1 1 13 13 PRO HB2 H . . . 1 1 13 13 PRO HD2 H . . . . . 2.7 -1.0 3.3 . . . . . A . 139 PRO HB2 . . A . 139 PRO HD2 . 1 . 139 PRO HBR . . . 1 . 139 PRO HDS . . rr_1kb7 1 155 1 . . 1 1 12 12 ARG HB3 H . . . 1 1 13 13 PRO HD2 H . . . . . 3.3 -1.0 4.0 . . . . . A . 138 ARG HB3 . . A . 139 PRO HD2 . 1 . 138 ARG HBS . . . 1 . 139 PRO HDS . . rr_1kb7 1 156 1 . . 1 1 12 12 ARG HB2 H . . . 1 1 13 13 PRO HD2 H . . . . . 3.3 2.3 5.0 . . . . . A . 138 ARG HB2 . . A . 139 PRO HD2 . 1 . 138 ARG HBR . . . 1 . 139 PRO HDS . . rr_1kb7 1 157 1 OR . 1 1 13 13 PRO HD2 H . . . 1 1 12 12 ARG HG2 H . . . . . 3.3 2.3 5.0 . . . . . A . 139 PRO HD2 . . A . 138 ARG HG2 . 1 . 139 PRO HDS . . . 1 . 138 ARG HG* . . rr_1kb7 1 157 2 OR . 1 1 12 12 ARG HG3 H . . . 1 1 13 13 PRO HD2 H . . . . . 3.3 2.3 5.0 . . . . . A . 138 ARG HG3 . . A . 139 PRO HD2 . 1 . 138 ARG HG* . . . 1 . 139 PRO HDS . . rr_1kb7 1 158 1 OR . 1 1 12 12 ARG HB3 H . . . 1 1 12 12 ARG HD2 H . . . . . 2.7 -1.0 3.7 . . . . . A . 138 ARG HB3 . . A . 138 ARG HD2 . 1 . 138 ARG HBS . . . 1 . 138 ARG HD* . . rr_1kb7 1 158 2 OR . 1 1 12 12 ARG HD3 H . . . 1 1 12 12 ARG HB3 H . . . . . 2.7 -1.0 3.7 . . . . . A . 138 ARG HD3 . . A . 138 ARG HB3 . 1 . 138 ARG HD* . . . 1 . 138 ARG HBS . . rr_1kb7 1 159 1 OR . 1 1 12 12 ARG HB2 H . . . 1 1 12 12 ARG HD2 H . . . . . 2.7 -1.0 3.7 . . . . . A . 138 ARG HB2 . . A . 138 ARG HD2 . 1 . 138 ARG HBR . . . 1 . 138 ARG HD* . . rr_1kb7 1 159 2 OR . 1 1 12 12 ARG HD3 H . . . 1 1 12 12 ARG HB2 H . . . . . 2.7 -1.0 3.7 . . . . . A . 138 ARG HD3 . . A . 138 ARG HB2 . 1 . 138 ARG HD* . . . 1 . 138 ARG HBR . . rr_1kb7 1 160 1 OR . 1 1 12 12 ARG HD2 H . . . 1 1 12 12 ARG HG2 H . . . . . 2.7 -1.0 4.7 . . . . . A . 138 ARG HD2 . . A . 138 ARG HG2 . 1 . 138 ARG HD* . . . 1 . 138 ARG HG* . . rr_1kb7 1 160 2 OR . 1 1 12 12 ARG HD3 H . . . 1 1 12 12 ARG HG2 H . . . . . 2.7 -1.0 4.7 . . . . . A . 138 ARG HD3 . . A . 138 ARG HG2 . 1 . 138 ARG HD* . . . 1 . 138 ARG HG* . . rr_1kb7 1 160 3 OR . 1 1 12 12 ARG HG3 H . . . 1 1 12 12 ARG HD2 H . . . . . 2.7 -1.0 4.7 . . . . . A . 138 ARG HG3 . . A . 138 ARG HD2 . 1 . 138 ARG HG* . . . 1 . 138 ARG HD* . . rr_1kb7 1 160 4 OR . 1 1 12 12 ARG HD3 H . . . 1 1 12 12 ARG HG3 H . . . . . 2.7 -1.0 4.7 . . . . . A . 138 ARG HD3 . . A . 138 ARG HG3 . 1 . 138 ARG HD* . . . 1 . 138 ARG HG* . . rr_1kb7 1 161 1 OR . 1 1 11 11 PHE HB2 H . . . 1 1 7 7 VAL MG1 H . . . . . 5.0 2.3 9.0 . . . . . A . 137 PHE HB2 . . A . 133 VAL MG1 . 1 . 137 PHE HBR . . . 1 . 133 VAL HG* . . rr_1kb7 1 161 2 OR . 1 1 11 11 PHE HB2 H . . . 1 1 7 7 VAL MG2 H . . . . . 5.0 2.3 9.0 . . . . . A . 137 PHE HB2 . . A . 133 VAL MG2 . 1 . 137 PHE HBR . . . 1 . 133 VAL HG* . . rr_1kb7 1 162 1 OR . 1 1 10 10 LYS HD3 H . . . 1 1 10 10 LYS HE2 H . . . . . 3.3 -1.0 5.3 . . . . . A . 136 LYS HD3 . . A . 136 LYS HE2 . 1 . 136 LYS HD* . . . 1 . 136 LYS HE* . . rr_1kb7 1 162 2 OR . 1 1 10 10 LYS HD2 H . . . 1 1 10 10 LYS HE2 H . . . . . 3.3 -1.0 5.3 . . . . . A . 136 LYS HD2 . . A . 136 LYS HE2 . 1 . 136 LYS HD* . . . 1 . 136 LYS HE* . . rr_1kb7 1 162 3 OR . 1 1 10 10 LYS HE3 H . . . 1 1 10 10 LYS HD2 H . . . . . 3.3 -1.0 5.3 . . . . . A . 136 LYS HE3 . . A . 136 LYS HD2 . 1 . 136 LYS HE* . . . 1 . 136 LYS HD* . . rr_1kb7 1 162 4 OR . 1 1 10 10 LYS HD3 H . . . 1 1 10 10 LYS HE3 H . . . . . 3.3 -1.0 5.3 . . . . . A . 136 LYS HD3 . . A . 136 LYS HE3 . 1 . 136 LYS HD* . . . 1 . 136 LYS HE* . . rr_1kb7 1 163 1 OR . 1 1 10 10 LYS HE2 H . . . 1 1 10 10 LYS HG2 H . . . . . 3.3 -1.0 5.3 . . . . . A . 136 LYS HE2 . . A . 136 LYS HG2 . 1 . 136 LYS HE* . . . 1 . 136 LYS HG* . . rr_1kb7 1 163 2 OR . 1 1 10 10 LYS HE3 H . . . 1 1 10 10 LYS HG2 H . . . . . 3.3 -1.0 5.3 . . . . . A . 136 LYS HE3 . . A . 136 LYS HG2 . 1 . 136 LYS HE* . . . 1 . 136 LYS HG* . . rr_1kb7 1 163 3 OR . 1 1 10 10 LYS HG3 H . . . 1 1 10 10 LYS HE2 H . . . . . 3.3 -1.0 5.3 . . . . . A . 136 LYS HG3 . . A . 136 LYS HE2 . 1 . 136 LYS HG* . . . 1 . 136 LYS HE* . . rr_1kb7 1 163 4 OR . 1 1 10 10 LYS HG3 H . . . 1 1 10 10 LYS HE3 H . . . . . 3.3 -1.0 5.3 . . . . . A . 136 LYS HG3 . . A . 136 LYS HE3 . 1 . 136 LYS HG* . . . 1 . 136 LYS HE* . . rr_1kb7 1 164 1 . . 1 1 13 13 PRO HB3 H . . . 1 1 13 13 PRO HB2 H . . . . . 2.7 -1.0 2.7 . . . . . A . 139 PRO HB3 . . A . 139 PRO HB2 . 1 . 139 PRO HBS . . . 1 . 139 PRO HBR . . rr_1kb7 1 165 1 OR . 1 1 7 7 VAL HB H . . . 1 1 7 7 VAL MG1 H . . . . . 2.7 -1.0 5.6 . . . . . A . 133 VAL HB . . A . 133 VAL MG1 . 1 . 133 VAL HB . . . 1 . 133 VAL HG* . . rr_1kb7 1 165 2 OR . 1 1 7 7 VAL MG2 H . . . 1 1 7 7 VAL HB H . . . . . 2.7 -1.0 5.6 . . . . . A . 133 VAL MG2 . . A . 133 VAL HB . 1 . 133 VAL HG* . . . 1 . 133 VAL HB . . rr_1kb7 1 166 1 OR . 1 1 10 10 LYS HD3 H . . . 1 1 10 10 LYS HG2 H . . . . . 2.7 -1.0 4.7 . . . . . A . 136 LYS HD3 . . A . 136 LYS HG2 . 1 . 136 LYS HD* . . . 1 . 136 LYS HG* . . rr_1kb7 1 166 2 OR . 1 1 10 10 LYS HD2 H . . . 1 1 10 10 LYS HG2 H . . . . . 2.7 -1.0 4.7 . . . . . A . 136 LYS HD2 . . A . 136 LYS HG2 . 1 . 136 LYS HD* . . . 1 . 136 LYS HG* . . rr_1kb7 1 166 3 OR . 1 1 10 10 LYS HG3 H . . . 1 1 10 10 LYS HD2 H . . . . . 2.7 -1.0 4.7 . . . . . A . 136 LYS HG3 . . A . 136 LYS HD2 . 1 . 136 LYS HG* . . . 1 . 136 LYS HD* . . rr_1kb7 1 166 4 OR . 1 1 10 10 LYS HD3 H . . . 1 1 10 10 LYS HG3 H . . . . . 2.7 -1.0 4.7 . . . . . A . 136 LYS HD3 . . A . 136 LYS HG3 . 1 . 136 LYS HD* . . . 1 . 136 LYS HG* . . rr_1kb7 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 NOE_distance 1 1 1 13 rr_1kb7 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 4 84 1 "Not handling restraint 84, item 1, resonance(s) '1.127.HA*' (nmrStar names) not linked" rr_1kb7 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_1kb7 _Gen_dist_constraint_list.ID 1 _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 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_1kb7 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 11 11 PHE H H . . . 1 1 8 8 ASP O O . . . . . . 1.8 2.5 . . . . . A . 137 PHE H . . A . 134 ASP O . 1 . 137 PHE HN . . . 1 . 134 ASP O . . rr_1kb7 2 2 1 . . 1 1 8 8 ASP O O . . . 1 1 11 11 PHE N N . . . . . . 1.8 3.0 . . . . . A . 134 ASP O . . A . 137 PHE N . 1 . 134 ASP O . . . 1 . 137 PHE N . . rr_1kb7 2 3 1 . . 1 1 16 16 CYS H H . . . 1 1 13 13 PRO O O . . . . . . 1.8 2.5 . . . . . A . 142 CYS H . . A . 139 PRO O . 1 . 142 CYS HN . . . 1 . 139 PRO O . . rr_1kb7 2 4 1 . . 1 1 13 13 PRO O O . . . 1 1 16 16 CYS N N . . . . . . 1.8 3.0 . . . . . A . 139 PRO O . . A . 142 CYS N . 1 . 139 PRO O . . . 1 . 142 CYS N . . rr_1kb7 2 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 distance 1 1 1 9 rr_1kb7 2 stop_ save_ save_Discover_dihedral_5 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode Discover_dihedral_5 _Torsion_angle_constraint_list.Entry_ID rr_1kb7 _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 5 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_1kb7 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 8 8 ASP C C . . 1 1 9 9 ALA N N . . 1 1 9 9 ALA CA C . . 1 1 9 9 ALA C C . -90.0 -30.0 . . . A . 134 ASP C . . A . 135 ALA N . . A . 135 ALA CA . . A . 135 ALA C . 1 . 134 ASP C . . . 1 . 135 ALA N . . . 1 . 135 ALA CA . . . 1 . 135 ALA C . . rr_1kb7 1 2 . . 1 1 10 10 LYS C C . . 1 1 11 11 PHE N N . . 1 1 11 11 PHE CA C . . 1 1 11 11 PHE C C . -120.0 -60.0 . . . A . 136 LYS C . . A . 137 PHE N . . A . 137 PHE CA . . A . 137 PHE C . 1 . 136 LYS C . . . 1 . 137 PHE N . . . 1 . 137 PHE CA . . . 1 . 137 PHE C . . rr_1kb7 1 3 . . 1 1 16 16 CYS C C . . 1 1 17 17 THR N N . . 1 1 17 17 THR CA C . . 1 1 17 17 THR C C . -125.0 -65.0 . . . A . 142 CYS C . . A . 143 THR N . . A . 143 THR CA . . A . 143 THR C . 1 . 142 CYS C . . . 1 . 143 THR N . . . 1 . 143 THR CA . . . 1 . 143 THR C . . rr_1kb7 1 4 . . 1 1 2 2 SER CA C . . 1 1 2 2 SER C C . . 1 1 3 3 CYS N N . . 1 1 3 3 CYS CA C . 179.0 181.0 . . . A . 128 SER CA . . A . 128 SER C . . A . 129 CYS N . . A . 129 CYS CA . 1 . 128 SER CA . . . 1 . 128 SER C . . . 1 . 129 CYS N . . . 1 . 129 CYS CA . . rr_1kb7 1 5 . . 1 1 3 3 CYS CA C . . 1 1 3 3 CYS C C . . 1 1 4 4 ALA N N . . 1 1 4 4 ALA CA C . 179.0 181.0 . . . A . 129 CYS CA . . A . 129 CYS C . . A . 130 ALA N . . A . 130 ALA CA . 1 . 129 CYS CA . . . 1 . 129 CYS C . . . 1 . 130 ALA N . . . 1 . 130 ALA CA . . rr_1kb7 1 6 . . 1 1 4 4 ALA CA C . . 1 1 4 4 ALA C C . . 1 1 5 5 THR N N . . 1 1 5 5 THR CA C . 179.0 181.0 . . . A . 130 ALA CA . . A . 130 ALA C . . A . 131 THR N . . A . 131 THR CA . 1 . 130 ALA CA . . . 1 . 130 ALA C . . . 1 . 131 THR N . . . 1 . 131 THR CA . . rr_1kb7 1 7 . . 1 1 5 5 THR CA C . . 1 1 5 5 THR C C . . 1 1 6 6 THR N N . . 1 1 6 6 THR CA C . 179.0 181.0 . . . A . 131 THR CA . . A . 131 THR C . . A . 132 THR N . . A . 132 THR CA . 1 . 131 THR CA . . . 1 . 131 THR C . . . 1 . 132 THR N . . . 1 . 132 THR CA . . rr_1kb7 1 8 . . 1 1 6 6 THR CA C . . 1 1 6 6 THR C C . . 1 1 7 7 VAL N N . . 1 1 7 7 VAL CA C . 179.0 181.0 . . . A . 132 THR CA . . A . 132 THR C . . A . 133 VAL N . . A . 133 VAL CA . 1 . 132 THR CA . . . 1 . 132 THR C . . . 1 . 133 VAL N . . . 1 . 133 VAL CA . . rr_1kb7 1 9 . . 1 1 7 7 VAL CA C . . 1 1 7 7 VAL C C . . 1 1 8 8 ASP N N . . 1 1 8 8 ASP CA C . 179.0 181.0 . . . A . 133 VAL CA . . A . 133 VAL C . . A . 134 ASP N . . A . 134 ASP CA . 1 . 133 VAL CA . . . 1 . 133 VAL C . . . 1 . 134 ASP N . . . 1 . 134 ASP CA . . rr_1kb7 1 10 . . 1 1 8 8 ASP CA C . . 1 1 8 8 ASP C C . . 1 1 9 9 ALA N N . . 1 1 9 9 ALA CA C . 179.0 181.0 . . . A . 134 ASP CA . . A . 134 ASP C . . A . 135 ALA N . . A . 135 ALA CA . 1 . 134 ASP CA . . . 1 . 134 ASP C . . . 1 . 135 ALA N . . . 1 . 135 ALA CA . . rr_1kb7 1 11 . . 1 1 9 9 ALA CA C . . 1 1 9 9 ALA C C . . 1 1 10 10 LYS N N . . 1 1 10 10 LYS CA C . 179.0 181.0 . . . A . 135 ALA CA . . A . 135 ALA C . . A . 136 LYS N . . A . 136 LYS CA . 1 . 135 ALA CA . . . 1 . 135 ALA C . . . 1 . 136 LYS N . . . 1 . 136 LYS CA . . rr_1kb7 1 12 . . 1 1 10 10 LYS CA C . . 1 1 10 10 LYS C C . . 1 1 11 11 PHE N N . . 1 1 11 11 PHE CA C . 179.0 181.0 . . . A . 136 LYS CA . . A . 136 LYS C . . A . 137 PHE N . . A . 137 PHE CA . 1 . 136 LYS CA . . . 1 . 136 LYS C . . . 1 . 137 PHE N . . . 1 . 137 PHE CA . . rr_1kb7 1 13 . . 1 1 11 11 PHE CA C . . 1 1 11 11 PHE C C . . 1 1 12 12 ARG N N . . 1 1 12 12 ARG CA C . 179.0 181.0 . . . A . 137 PHE CA . . A . 137 PHE C . . A . 138 ARG N . . A . 138 ARG CA . 1 . 137 PHE CA . . . 1 . 137 PHE C . . . 1 . 138 ARG N . . . 1 . 138 ARG CA . . rr_1kb7 1 14 . . 1 1 12 12 ARG CA C . . 1 1 12 12 ARG C C . . 1 1 13 13 PRO N N . . 1 1 13 13 PRO CA C . 179.0 181.0 . . . A . 138 ARG CA . . A . 138 ARG C . . A . 139 PRO N . . A . 139 PRO CA . 1 . 138 ARG CA . . . 1 . 138 ARG C . . . 1 . 139 PRO N . . . 1 . 139 PRO CA . . rr_1kb7 1 15 . . 1 1 13 13 PRO CA C . . 1 1 13 13 PRO C C . . 1 1 14 14 ASN N N . . 1 1 14 14 ASN CA C . 179.0 181.0 . . . A . 139 PRO CA . . A . 139 PRO C . . A . 140 ASN N . . A . 140 ASN CA . 1 . 139 PRO CA . . . 1 . 139 PRO C . . . 1 . 140 ASN N . . . 1 . 140 ASN CA . . rr_1kb7 1 16 . . 1 1 14 14 ASN CA C . . 1 1 14 14 ASN C C . . 1 1 15 15 GLY N N . . 1 1 15 15 GLY CA C . 179.0 181.0 . . . A . 140 ASN CA . . A . 140 ASN C . . A . 141 GLY N . . A . 141 GLY CA . 1 . 140 ASN CA . . . 1 . 140 ASN C . . . 1 . 141 GLY N . . . 1 . 141 GLY CA . . rr_1kb7 1 17 . . 1 1 15 15 GLY CA C . . 1 1 15 15 GLY C C . . 1 1 16 16 CYS N N . . 1 1 16 16 CYS CA C . 179.0 181.0 . . . A . 141 GLY CA . . A . 141 GLY C . . A . 142 CYS N . . A . 142 CYS CA . 1 . 141 GLY CA . . . 1 . 141 GLY C . . . 1 . 142 CYS N . . . 1 . 142 CYS CA . . rr_1kb7 1 18 . . 1 1 16 16 CYS CA C . . 1 1 16 16 CYS C C . . 1 1 17 17 THR N N . . 1 1 17 17 THR CA C . 179.0 181.0 . . . A . 142 CYS CA . . A . 142 CYS C . . A . 143 THR N . . A . 143 THR CA . 1 . 142 CYS CA . . . 1 . 142 CYS C . . . 1 . 143 THR N . . . 1 . 143 THR CA . . rr_1kb7 1 19 . . 1 1 17 17 THR CA C . . 1 1 17 17 THR C C . . 1 1 18 18 ASP N N . . 1 1 18 18 ASP CA C . 179.0 181.0 . . . A . 143 THR CA . . A . 143 THR C . . A . 144 ASP N . . A . 144 ASP CA . 1 . 143 THR CA . . . 1 . 143 THR C . . . 1 . 144 ASP N . . . 1 . 144 ASP CA . . rr_1kb7 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 ; NMR_dihedral phi-angle restraints ; 1 1 2 21 rr_1kb7 1 2 'omega-angle restraints' 6 1 6 23 rr_1kb7 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_1kb7 _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 FIMBRIAL PROTEIN 05-OCT-95 1KB7 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: KB7 PILIN, TRANS; *COMPND 3 CHAIN: NULL; *COMPND 4 DOMAIN: RESIDUES 128 - 144 (ACE-SCATTVDAKFRPNGCTD-OH); *COMPND 5 SYNONYM: FIMBRIAL PROTEIN; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; *SOURCE 4 STRAIN: KB7 *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR A.P.CAMPBELL,C.MCINNES,R.S.HODGES,B.D.SYKES *REVDAT 1 29-JAN-96 1KB7 0 !BIOSYM restraint 1 ! kb7_128-144.rstrnt ! pseudo-atom corrected ! stereosp assign for CYS_129, PRO_139, GLY_141, and CYS_142 ! SER_128:HB1=HBS,HB2=HBR ! CYS_129:HB1=HBS,HB2=HBR; CYS_142:HB1=HBS,HB2=HBR ! PHE_137:HB1=HBS,HB2=HBR ! ARG_138:HB1=HBS,HB2=HBR ! PRO_139:HB1=HBS,HB2=HBR,HD1=HDR,HD2=HDS. ! GLY_141:HA1=HAS, HA2=HAR ! ASP_144:HB1=HBS,HB2=HBR ! ; save_