data_Remediated_restraints_file_for_PDB_entry_1wz5 # This BMRB archive file contains, for PDB entry 1wz5: # # - 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_1wz5 _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1wz5' _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 1wz5' _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 1wz5 'Master copy' rr_1wz5 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1wz5 _Assembly.ID 1 _Assembly.Name 1wz5 _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 3805.4419 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 'Potassium channel blocking toxin 1' 1 $Potassium_channel_blocking_toxin_1 A . no . . . . . . rr_1wz5 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Potassium_channel_blocking_toxin_1 _Entity.Sf_category entity _Entity.Sf_framecode Potassium_channel_blocking_toxin_1 _Entity.Entry_ID rr_1wz5 _Entity.ID 1 _Entity.Name Potassium_channel_blocking_toxin_1 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ; LVKCRGTSDCGRPCQQQTGX PNSKCINRMCKCYGX ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Number_of_monomers 35 _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 3805.4419 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 . LEU . rr_1wz5 1 2 . VAL . rr_1wz5 1 3 . LYS . rr_1wz5 1 4 . CYS . rr_1wz5 1 5 . ARG . rr_1wz5 1 6 . GLY . rr_1wz5 1 7 . THR . rr_1wz5 1 8 . SER . rr_1wz5 1 9 . ASP . rr_1wz5 1 10 . CYS . rr_1wz5 1 11 . GLY . rr_1wz5 1 12 . ARG . rr_1wz5 1 13 . PRO . rr_1wz5 1 14 . CYS . rr_1wz5 1 15 . GLN . rr_1wz5 1 16 . GLN . rr_1wz5 1 17 . GLN . rr_1wz5 1 18 . THR . rr_1wz5 1 19 . GLY . rr_1wz5 1 20 . ABA . rr_1wz5 1 21 . PRO . rr_1wz5 1 22 . ASN . rr_1wz5 1 23 . SER . rr_1wz5 1 24 . LYS . rr_1wz5 1 25 . CYS . rr_1wz5 1 26 . ILE . rr_1wz5 1 27 . ASN . rr_1wz5 1 28 . ARG . rr_1wz5 1 29 . MET . rr_1wz5 1 30 . CYS . rr_1wz5 1 31 . LYS . rr_1wz5 1 32 . CYS . rr_1wz5 1 33 . TYR . rr_1wz5 1 34 . GLY . rr_1wz5 1 35 . ABA . rr_1wz5 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 . LEU 1 1 rr_1wz5 1 . VAL 2 2 rr_1wz5 1 . LYS 3 3 rr_1wz5 1 . CYS 4 4 rr_1wz5 1 . ARG 5 5 rr_1wz5 1 . GLY 6 6 rr_1wz5 1 . THR 7 7 rr_1wz5 1 . SER 8 8 rr_1wz5 1 . ASP 9 9 rr_1wz5 1 . CYS 10 10 rr_1wz5 1 . GLY 11 11 rr_1wz5 1 . ARG 12 12 rr_1wz5 1 . PRO 13 13 rr_1wz5 1 . CYS 14 14 rr_1wz5 1 . GLN 15 15 rr_1wz5 1 . GLN 16 16 rr_1wz5 1 . GLN 17 17 rr_1wz5 1 . THR 18 18 rr_1wz5 1 . GLY 19 19 rr_1wz5 1 . ABA 20 20 rr_1wz5 1 . PRO 21 21 rr_1wz5 1 . ASN 22 22 rr_1wz5 1 . SER 23 23 rr_1wz5 1 . LYS 24 24 rr_1wz5 1 . CYS 25 25 rr_1wz5 1 . ILE 26 26 rr_1wz5 1 . ASN 27 27 rr_1wz5 1 . ARG 28 28 rr_1wz5 1 . MET 29 29 rr_1wz5 1 . CYS 30 30 rr_1wz5 1 . LYS 31 31 rr_1wz5 1 . CYS 32 32 rr_1wz5 1 . TYR 33 33 rr_1wz5 1 . GLY 34 34 rr_1wz5 1 . ABA 35 35 rr_1wz5 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ABA_1 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ABA_1 _Chem_comp.Entry_ID rr_1wz5 _Chem_comp.ID ABA _Chem_comp.Name 'ALPHA-AMINOBUTYRIC ACID' _Chem_comp.Type 'L-peptide linking' _Chem_comp.PDB_code ABA _Chem_comp.Std_deriv_one_letter_code A _Chem_comp.Std_deriv_three_letter_code Ala _Chem_comp.Std_deriv_PDB_code ALA _Chem_comp.Std_deriv_chem_comp_name ALANINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H7 N O' _Chem_comp.Formula_weight 85.1054 loop_ _Chem_comp_common_name.Name _Chem_comp_common_name.Type _Chem_comp_common_name.Entry_ID _Chem_comp_common_name.Comp_ID '(2R)-2-aminobutanoic acid' name rr_1wz5 ABA stop_ save_ save_chem_comp_ABA_1_2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ABA_1_2 _Chem_comp.Entry_ID rr_1wz5 _Chem_comp.ID ABA _Chem_comp.Name 'ALPHA-AMINOBUTYRIC ACID' _Chem_comp.Type 'L-peptide COOH carboxy terminus' _Chem_comp.PDB_code ABA _Chem_comp.Std_deriv_one_letter_code A _Chem_comp.Std_deriv_three_letter_code Ala _Chem_comp.Std_deriv_PDB_code ALA _Chem_comp.Std_deriv_chem_comp_name ALANINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H7 N O2' _Chem_comp.Formula_weight 101.1048 loop_ _Chem_comp_common_name.Name _Chem_comp_common_name.Type _Chem_comp_common_name.Entry_ID _Chem_comp_common_name.Comp_ID '(2R)-2-aminobutanoic acid' name rr_1wz5 ABA 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_1wz5 _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_1wz5 _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_1wz5 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_1wz5 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 LEU C C -5.405 -6.301 7.031 . . . 1.0 . . . . . . . . . . . . A . 1 LEU C . . . . . . . . . rr_1wz5 1 . 1 . 2 . 1 1 1 LEU CA C -6.734 -5.562 7.138 . . . 1.0 . . . . . . . . . . . . A . 1 LEU CA . . . . . . . . . rr_1wz5 1 . 1 . 3 . 1 1 1 LEU CB C -6.493 -4.057 7.277 . . . 1.0 . . . . . . . . . . . . A . 1 LEU CB . . . . . . . . . rr_1wz5 1 . 1 . 4 . 1 1 1 LEU CD1 C -6.938 -2.753 5.184 . . . 1.0 . . . . . . . . . . . . A . 1 LEU CD1 . . . . . . . . . rr_1wz5 1 . 1 . 5 . 1 1 1 LEU CD2 C -4.843 -2.342 6.482 . . . 1.0 . . . . . . . . . . . . A . 1 LEU CD2 . . . . . . . . . rr_1wz5 1 . 1 . 6 . 1 1 1 LEU CG C -5.864 -3.385 6.054 . . . 1.0 . . . . . . . . . . . . A . 1 LEU CG . . . . . . . . . rr_1wz5 1 . 1 . 7 . 1 1 1 LEU H1 H -6.920 -5.904 9.158 . . . 1.0 . . . . . . . . . . . . A . 1 LEU H1 . . . . . . . . . rr_1wz5 1 . 1 . 8 . 1 1 1 LEU H2 H -7.748 -7.030 8.162 . . . 1.0 . . . . . . . . . . . . A . 1 LEU H2 . . . . . . . . . rr_1wz5 1 . 1 . 9 . 1 1 1 LEU H3 H -8.374 -5.446 8.373 . . . 1.0 . . . . . . . . . . . . A . 1 LEU H3 . . . . . . . . . rr_1wz5 1 . 1 . 10 . 1 1 1 LEU HA H -7.312 -5.750 6.246 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HA . . . . . . . . . rr_1wz5 1 . 1 . 11 . 1 1 1 LEU HB2 H -7.442 -3.580 7.477 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HB2 . . . . . . . . . rr_1wz5 1 . 1 . 12 . 1 1 1 LEU HB3 H -5.843 -3.895 8.124 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HB3 . . . . . . . . . rr_1wz5 1 . 1 . 13 . 1 1 1 LEU HD11 H -7.173 -1.768 5.562 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HD11 . . . . . . . . . rr_1wz5 1 . 1 . 14 . 1 1 1 LEU HD12 H -7.826 -3.367 5.204 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HD12 . . . . . . . . . rr_1wz5 1 . 1 . 15 . 1 1 1 LEU HD13 H -6.578 -2.672 4.170 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HD13 . . . . . . . . . rr_1wz5 1 . 1 . 16 . 1 1 1 LEU HD21 H -4.510 -2.553 7.487 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HD21 . . . . . . . . . rr_1wz5 1 . 1 . 17 . 1 1 1 LEU HD22 H -5.295 -1.361 6.451 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HD22 . . . . . . . . . rr_1wz5 1 . 1 . 18 . 1 1 1 LEU HD23 H -3.998 -2.370 5.810 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HD23 . . . . . . . . . rr_1wz5 1 . 1 . 19 . 1 1 1 LEU HG H -5.353 -4.132 5.464 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HG . . . . . . . . . rr_1wz5 1 . 1 . 20 . 1 1 1 LEU N N -7.514 -6.028 8.314 . . . 1.0 . . . . . . . . . . . . A . 1 LEU N . . . . . . . . . rr_1wz5 1 . 1 . 21 . 1 1 1 LEU O O -4.344 -5.735 7.296 . . . 1.0 . . . . . . . . . . . . A . 1 LEU O . . . . . . . . . rr_1wz5 1 . 1 . 22 . 1 1 2 VAL C C -4.390 -9.330 5.308 . . . 1.0 . . . . . . . . . . . . A . 2 VAL C . . . . . . . . . rr_1wz5 1 . 1 . 23 . 1 1 2 VAL CA C -4.272 -8.384 6.497 . . . 1.0 . . . . . . . . . . . . A . 2 VAL CA . . . . . . . . . rr_1wz5 1 . 1 . 24 . 1 1 2 VAL CB C -3.989 -9.196 7.774 . . . 1.0 . . . . . . . . . . . . A . 2 VAL CB . . . . . . . . . rr_1wz5 1 . 1 . 25 . 1 1 2 VAL CG1 C -2.651 -9.911 7.670 . . . 1.0 . . . . . . . . . . . . A . 2 VAL CG1 . . . . . . . . . rr_1wz5 1 . 1 . 26 . 1 1 2 VAL CG2 C -4.023 -8.295 8.999 . . . 1.0 . . . . . . . . . . . . A . 2 VAL CG2 . . . . . . . . . rr_1wz5 1 . 1 . 27 . 1 1 2 VAL H H -6.345 -7.962 6.442 . . . 1.0 . . . . . . . . . . . . A . 2 VAL H . . . . . . . . . rr_1wz5 1 . 1 . 28 . 1 1 2 VAL HA H -3.439 -7.718 6.324 . . . 1.0 . . . . . . . . . . . . A . 2 VAL HA . . . . . . . . . rr_1wz5 1 . 1 . 29 . 1 1 2 VAL HB H -4.764 -9.941 7.880 . . . 1.0 . . . . . . . . . . . . A . 2 VAL HB . . . . . . . . . rr_1wz5 1 . 1 . 30 . 1 1 2 VAL HG11 H -2.564 -10.374 6.698 . . . 1.0 . . . . . . . . . . . . A . 2 VAL HG11 . . . . . . . . . rr_1wz5 1 . 1 . 31 . 1 1 2 VAL HG12 H -2.587 -10.668 8.437 . . . 1.0 . . . . . . . . . . . . A . 2 VAL HG12 . . . . . . . . . rr_1wz5 1 . 1 . 32 . 1 1 2 VAL HG13 H -1.852 -9.196 7.802 . . . 1.0 . . . . . . . . . . . . A . 2 VAL HG13 . . . . . . . . . rr_1wz5 1 . 1 . 33 . 1 1 2 VAL HG21 H -3.452 -8.749 9.795 . . . 1.0 . . . . . . . . . . . . A . 2 VAL HG21 . . . . . . . . . rr_1wz5 1 . 1 . 34 . 1 1 2 VAL HG22 H -5.045 -8.160 9.320 . . . 1.0 . . . . . . . . . . . . A . 2 VAL HG22 . . . . . . . . . rr_1wz5 1 . 1 . 35 . 1 1 2 VAL HG23 H -3.594 -7.336 8.751 . . . 1.0 . . . . . . . . . . . . A . 2 VAL HG23 . . . . . . . . . rr_1wz5 1 . 1 . 36 . 1 1 2 VAL N N -5.470 -7.568 6.640 . . . 1.0 . . . . . . . . . . . . A . 2 VAL N . . . . . . . . . rr_1wz5 1 . 1 . 37 . 1 1 2 VAL O O -4.429 -10.551 5.465 . . . 1.0 . . . . . . . . . . . . A . 2 VAL O . . . . . . . . . rr_1wz5 1 . 1 . 38 . 1 1 3 LYS C C -4.342 -8.609 1.672 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . rr_1wz5 1 . 1 . 39 . 1 1 3 LYS CA C -4.548 -9.515 2.882 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . rr_1wz5 1 . 1 . 40 . 1 1 3 LYS CB C -5.913 -10.202 2.798 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . rr_1wz5 1 . 1 . 41 . 1 1 3 LYS CD C -7.439 -11.699 1.477 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . rr_1wz5 1 . 1 . 42 . 1 1 3 LYS CE C -7.714 -13.005 2.204 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . rr_1wz5 1 . 1 . 43 . 1 1 3 LYS CG C -6.006 -11.236 1.688 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . rr_1wz5 1 . 1 . 44 . 1 1 3 LYS H H -4.400 -7.770 4.069 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . rr_1wz5 1 . 1 . 45 . 1 1 3 LYS HA H -3.775 -10.269 2.890 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . rr_1wz5 1 . 1 . 46 . 1 1 3 LYS HB2 H -6.115 -10.694 3.737 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . rr_1wz5 1 . 1 . 47 . 1 1 3 LYS HB3 H -6.670 -9.451 2.625 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . rr_1wz5 1 . 1 . 48 . 1 1 3 LYS HD2 H -8.110 -10.941 1.852 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . rr_1wz5 1 . 1 . 49 . 1 1 3 LYS HD3 H -7.608 -11.842 0.420 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . rr_1wz5 1 . 1 . 50 . 1 1 3 LYS HE2 H -7.712 -12.818 3.267 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . rr_1wz5 1 . 1 . 51 . 1 1 3 LYS HE3 H -8.686 -13.371 1.905 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . rr_1wz5 1 . 1 . 52 . 1 1 3 LYS HG2 H -5.641 -10.800 0.770 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . rr_1wz5 1 . 1 . 53 . 1 1 3 LYS HG3 H -5.397 -12.088 1.951 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . rr_1wz5 1 . 1 . 54 . 1 1 3 LYS HZ1 H -7.102 -14.990 1.985 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . rr_1wz5 1 . 1 . 55 . 1 1 3 LYS HZ2 H -5.887 -13.957 2.549 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . rr_1wz5 1 . 1 . 56 . 1 1 3 LYS HZ3 H -6.342 -13.916 0.920 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . rr_1wz5 1 . 1 . 57 . 1 1 3 LYS N N -4.440 -8.747 4.118 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . rr_1wz5 1 . 1 . 58 . 1 1 3 LYS NZ N -6.690 -14.039 1.893 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . rr_1wz5 1 . 1 . 59 . 1 1 3 LYS O O -5.229 -8.469 0.829 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . rr_1wz5 1 . 1 . 60 . 1 1 4 CYS C C -3.971 -6.116 0.206 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_1wz5 1 . 1 . 61 . 1 1 4 CYS CA C -2.830 -7.098 0.496 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_1wz5 1 . 1 . 62 . 1 1 4 CYS CB C -2.477 -7.908 -0.746 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_1wz5 1 . 1 . 63 . 1 1 4 CYS H H -2.501 -8.149 2.297 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_1wz5 1 . 1 . 64 . 1 1 4 CYS HA H -1.965 -6.534 0.791 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_1wz5 1 . 1 . 65 . 1 1 4 CYS HB2 H -1.596 -8.497 -0.538 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_1wz5 1 . 1 . 66 . 1 1 4 CYS HB3 H -3.294 -8.566 -0.970 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_1wz5 1 . 1 . 67 . 1 1 4 CYS N N -3.165 -7.994 1.595 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_1wz5 1 . 1 . 68 . 1 1 4 CYS O O -4.069 -5.069 0.846 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_1wz5 1 . 1 . 69 . 1 1 4 CYS SG S -2.138 -6.906 -2.232 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_1wz5 1 . 1 . 70 . 1 1 5 ARG C C -5.553 -4.184 -1.419 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . rr_1wz5 1 . 1 . 71 . 1 1 5 ARG CA C -5.971 -5.616 -1.100 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . rr_1wz5 1 . 1 . 72 . 1 1 5 ARG CB C -6.928 -5.627 0.050 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . rr_1wz5 1 . 1 . 73 . 1 1 5 ARG CD C -9.311 -5.417 0.821 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . rr_1wz5 1 . 1 . 74 . 1 1 5 ARG CG C -8.316 -5.104 -0.284 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . rr_1wz5 1 . 1 . 75 . 1 1 5 ARG CZ C -10.803 -7.151 -0.098 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . rr_1wz5 1 . 1 . 76 . 1 1 5 ARG H H -4.733 -7.304 -1.206 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . rr_1wz5 1 . 1 . 77 . 1 1 5 ARG HA H -6.456 -6.043 -1.956 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . rr_1wz5 1 . 1 . 78 . 1 1 5 ARG HB2 H -7.008 -6.640 0.388 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . rr_1wz5 1 . 1 . 79 . 1 1 5 ARG HB3 H -6.508 -5.030 0.830 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . rr_1wz5 1 . 1 . 80 . 1 1 5 ARG HD2 H -8.820 -5.294 1.774 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . rr_1wz5 1 . 1 . 81 . 1 1 5 ARG HD3 H -10.137 -4.725 0.750 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . rr_1wz5 1 . 1 . 82 . 1 1 5 ARG HE H -9.423 -7.457 1.312 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . rr_1wz5 1 . 1 . 83 . 1 1 5 ARG HG2 H -8.265 -4.034 -0.415 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . rr_1wz5 1 . 1 . 84 . 1 1 5 ARG HG3 H -8.653 -5.565 -1.201 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . rr_1wz5 1 . 1 . 85 . 1 1 5 ARG HH11 H -11.050 -5.317 -0.916 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . rr_1wz5 1 . 1 . 86 . 1 1 5 ARG HH12 H -12.097 -6.551 -1.531 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . rr_1wz5 1 . 1 . 87 . 1 1 5 ARG HH21 H -10.796 -9.082 0.501 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . rr_1wz5 1 . 1 . 88 . 1 1 5 ARG HH22 H -11.954 -8.689 -0.726 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . rr_1wz5 1 . 1 . 89 . 1 1 5 ARG N N -4.841 -6.460 -0.747 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . rr_1wz5 1 . 1 . 90 . 1 1 5 ARG NE N -9.825 -6.782 0.727 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . rr_1wz5 1 . 1 . 91 . 1 1 5 ARG NH1 N -11.362 -6.267 -0.915 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . rr_1wz5 1 . 1 . 92 . 1 1 5 ARG NH2 N -11.218 -8.411 -0.109 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . rr_1wz5 1 . 1 . 93 . 1 1 5 ARG O O -6.392 -3.295 -1.557 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . rr_1wz5 1 . 1 . 94 . 1 1 6 GLY C C -4.053 -2.195 -3.219 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . rr_1wz5 1 . 1 . 95 . 1 1 6 GLY CA C -3.724 -2.658 -1.819 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . rr_1wz5 1 . 1 . 96 . 1 1 6 GLY H H -3.649 -4.727 -1.395 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . rr_1wz5 1 . 1 . 97 . 1 1 6 GLY HA2 H -4.134 -1.951 -1.114 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . rr_1wz5 1 . 1 . 98 . 1 1 6 GLY HA3 H -2.658 -2.680 -1.707 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . rr_1wz5 1 . 1 . 99 . 1 1 6 GLY N N -4.254 -3.976 -1.525 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . rr_1wz5 1 . 1 . 100 . 1 1 6 GLY O O -3.169 -2.055 -4.065 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . rr_1wz5 1 . 1 . 101 . 1 1 7 THR C C -5.993 0.014 -4.766 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_1wz5 1 . 1 . 102 . 1 1 7 THR CA C -5.798 -1.501 -4.751 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_1wz5 1 . 1 . 103 . 1 1 7 THR CB C -7.109 -2.198 -5.115 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_1wz5 1 . 1 . 104 . 1 1 7 THR CG2 C -7.622 -1.829 -6.489 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_1wz5 1 . 1 . 105 . 1 1 7 THR H H -5.967 -2.086 -2.740 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_1wz5 1 . 1 . 106 . 1 1 7 THR HA H -5.050 -1.763 -5.476 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_1wz5 1 . 1 . 107 . 1 1 7 THR HB H -7.864 -1.920 -4.394 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_1wz5 1 . 1 . 108 . 1 1 7 THR HG1 H -6.510 -3.859 -4.266 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_1wz5 1 . 1 . 109 . 1 1 7 THR HG21 H -8.360 -2.552 -6.803 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_1wz5 1 . 1 . 110 . 1 1 7 THR HG22 H -6.801 -1.826 -7.190 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_1wz5 1 . 1 . 111 . 1 1 7 THR HG23 H -8.070 -0.847 -6.454 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_1wz5 1 . 1 . 112 . 1 1 7 THR N N -5.327 -1.956 -3.456 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_1wz5 1 . 1 . 113 . 1 1 7 THR O O -6.224 0.605 -5.820 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_1wz5 1 . 1 . 114 . 1 1 7 THR OG1 O -6.957 -3.606 -5.077 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_1wz5 1 . 1 . 115 . 1 1 8 SER C C -6.173 2.522 -2.012 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_1wz5 1 . 1 . 116 . 1 1 8 SER CA C -6.067 2.085 -3.475 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_1wz5 1 . 1 . 117 . 1 1 8 SER CB C -7.311 2.546 -4.242 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_1wz5 1 . 1 . 118 . 1 1 8 SER H H -5.711 0.118 -2.786 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_1wz5 1 . 1 . 119 . 1 1 8 SER HA H -5.197 2.549 -3.911 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_1wz5 1 . 1 . 120 . 1 1 8 SER HB2 H -7.087 2.586 -5.297 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_1wz5 1 . 1 . 121 . 1 1 8 SER HB3 H -8.115 1.844 -4.072 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_1wz5 1 . 1 . 122 . 1 1 8 SER HG H -7.659 4.449 -4.548 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_1wz5 1 . 1 . 123 . 1 1 8 SER N N -5.900 0.639 -3.591 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_1wz5 1 . 1 . 124 . 1 1 8 SER O O -5.900 3.677 -1.685 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_1wz5 1 . 1 . 125 . 1 1 8 SER OG O -7.729 3.831 -3.816 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_1wz5 1 . 1 . 126 . 1 1 9 ASP C C -5.386 2.273 0.895 . . . 1.0 . . . . . . . . . . . . A . 9 ASP C . . . . . . . . . rr_1wz5 1 . 1 . 127 . 1 1 9 ASP CA C -6.724 1.910 0.274 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CA . . . . . . . . . rr_1wz5 1 . 1 . 128 . 1 1 9 ASP CB C -7.347 0.726 1.018 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CB . . . . . . . . . rr_1wz5 1 . 1 . 129 . 1 1 9 ASP CG C -8.850 0.863 1.166 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CG . . . . . . . . . rr_1wz5 1 . 1 . 130 . 1 1 9 ASP H H -6.789 0.706 -1.446 . . . 1.0 . . . . . . . . . . . . A . 9 ASP H . . . . . . . . . rr_1wz5 1 . 1 . 131 . 1 1 9 ASP HA H -7.380 2.757 0.352 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HA . . . . . . . . . rr_1wz5 1 . 1 . 132 . 1 1 9 ASP HB2 H -7.139 -0.183 0.474 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB2 . . . . . . . . . rr_1wz5 1 . 1 . 133 . 1 1 9 ASP HB3 H -6.912 0.658 2.004 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB3 . . . . . . . . . rr_1wz5 1 . 1 . 134 . 1 1 9 ASP N N -6.578 1.603 -1.138 . . . 1.0 . . . . . . . . . . . . A . 9 ASP N . . . . . . . . . rr_1wz5 1 . 1 . 135 . 1 1 9 ASP O O -5.211 3.379 1.398 . . . 1.0 . . . . . . . . . . . . A . 9 ASP O . . . . . . . . . rr_1wz5 1 . 1 . 136 . 1 1 9 ASP OD1 O -9.517 1.191 0.162 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD1 . . . . . . . . . rr_1wz5 1 . 1 . 137 . 1 1 9 ASP OD2 O -9.360 0.643 2.284 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD2 . . . . . . . . . rr_1wz5 1 . 1 . 138 . 1 1 10 CYS C C -2.510 2.857 0.829 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_1wz5 1 . 1 . 139 . 1 1 10 CYS CA C -3.110 1.581 1.409 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_1wz5 1 . 1 . 140 . 1 1 10 CYS CB C -2.183 0.396 1.119 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_1wz5 1 . 1 . 141 . 1 1 10 CYS H H -4.640 0.480 0.425 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_1wz5 1 . 1 . 142 . 1 1 10 CYS HA H -3.211 1.698 2.477 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_1wz5 1 . 1 . 143 . 1 1 10 CYS HB2 H -1.920 0.403 0.072 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_1wz5 1 . 1 . 144 . 1 1 10 CYS HB3 H -1.285 0.500 1.710 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_1wz5 1 . 1 . 145 . 1 1 10 CYS N N -4.441 1.342 0.850 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_1wz5 1 . 1 . 146 . 1 1 10 CYS O O -1.711 3.542 1.478 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_1wz5 1 . 1 . 147 . 1 1 10 CYS SG S -2.907 -1.234 1.492 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_1wz5 1 . 1 . 148 . 1 1 11 GLY C C -2.795 5.636 -0.356 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_1wz5 1 . 1 . 149 . 1 1 11 GLY CA C -2.412 4.351 -1.063 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_1wz5 1 . 1 . 150 . 1 1 11 GLY H H -3.543 2.583 -0.859 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_1wz5 1 . 1 . 151 . 1 1 11 GLY HA2 H -1.338 4.293 -1.121 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_1wz5 1 . 1 . 152 . 1 1 11 GLY HA3 H -2.812 4.376 -2.067 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_1wz5 1 . 1 . 153 . 1 1 11 GLY N N -2.906 3.168 -0.398 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_1wz5 1 . 1 . 154 . 1 1 11 GLY O O -2.067 6.622 -0.430 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_1wz5 1 . 1 . 155 . 1 1 12 ARG C C -3.545 7.164 2.230 . . . 1.0 . . . . . . . . . . . . A . 12 ARG C . . . . . . . . . rr_1wz5 1 . 1 . 156 . 1 1 12 ARG CA C -4.402 6.845 1.006 . . . 1.0 . . . . . . . . . . . . A . 12 ARG CA . . . . . . . . . rr_1wz5 1 . 1 . 157 . 1 1 12 ARG CB C -5.881 6.738 1.401 . . . 1.0 . . . . . . . . . . . . A . 12 ARG CB . . . . . . . . . rr_1wz5 1 . 1 . 158 . 1 1 12 ARG CD C -8.197 5.962 0.811 . . . 1.0 . . . . . . . . . . . . A . 12 ARG CD . . . . . . . . . rr_1wz5 1 . 1 . 159 . 1 1 12 ARG CG C -6.732 5.965 0.405 . . . 1.0 . . . . . . . . . . . . A . 12 ARG CG . . . . . . . . . rr_1wz5 1 . 1 . 160 . 1 1 12 ARG CZ C -9.894 7.613 1.493 . . . 1.0 . . . . . . . . . . . . A . 12 ARG CZ . . . . . . . . . rr_1wz5 1 . 1 . 161 . 1 1 12 ARG H H -4.501 4.834 0.334 . . . 1.0 . . . . . . . . . . . . A . 12 ARG H . . . . . . . . . rr_1wz5 1 . 1 . 162 . 1 1 12 ARG HA H -4.292 7.659 0.310 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HA . . . . . . . . . rr_1wz5 1 . 1 . 163 . 1 1 12 ARG HB2 H -5.956 6.253 2.359 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HB2 . . . . . . . . . rr_1wz5 1 . 1 . 164 . 1 1 12 ARG HB3 H -6.287 7.736 1.484 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HB3 . . . . . . . . . rr_1wz5 1 . 1 . 165 . 1 1 12 ARG HD2 H -8.757 5.391 0.086 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HD2 . . . . . . . . . rr_1wz5 1 . 1 . 166 . 1 1 12 ARG HD3 H -8.287 5.497 1.782 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HD3 . . . . . . . . . rr_1wz5 1 . 1 . 167 . 1 1 12 ARG HE H -8.246 8.032 0.447 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HE . . . . . . . . . rr_1wz5 1 . 1 . 168 . 1 1 12 ARG HG2 H -6.640 6.425 -0.567 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HG2 . . . . . . . . . rr_1wz5 1 . 1 . 169 . 1 1 12 ARG HG3 H -6.381 4.946 0.359 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HG3 . . . . . . . . . rr_1wz5 1 . 1 . 170 . 1 1 12 ARG HH11 H -10.283 5.717 2.082 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HH11 . . . . . . . . . rr_1wz5 1 . 1 . 171 . 1 1 12 ARG HH12 H -11.462 6.896 2.549 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HH12 . . . . . . . . . rr_1wz5 1 . 1 . 172 . 1 1 12 ARG HH21 H -9.797 9.585 1.060 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HH21 . . . . . . . . . rr_1wz5 1 . 1 . 173 . 1 1 12 ARG HH22 H -11.187 9.092 1.968 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HH22 . . . . . . . . . rr_1wz5 1 . 1 . 174 . 1 1 12 ARG N N -3.945 5.642 0.315 . . . 1.0 . . . . . . . . . . . . A . 12 ARG N . . . . . . . . . rr_1wz5 1 . 1 . 175 . 1 1 12 ARG NE N -8.751 7.312 0.880 . . . 1.0 . . . . . . . . . . . . A . 12 ARG NE . . . . . . . . . rr_1wz5 1 . 1 . 176 . 1 1 12 ARG NH1 N -10.604 6.664 2.090 . . . 1.0 . . . . . . . . . . . . A . 12 ARG NH1 . . . . . . . . . rr_1wz5 1 . 1 . 177 . 1 1 12 ARG NH2 N -10.328 8.866 1.508 . . . 1.0 . . . . . . . . . . . . A . 12 ARG NH2 . . . . . . . . . rr_1wz5 1 . 1 . 178 . 1 1 12 ARG O O -2.976 8.252 2.319 . . . 1.0 . . . . . . . . . . . . A . 12 ARG O . . . . . . . . . rr_1wz5 1 . 1 . 179 . 1 1 13 PRO C C -1.184 6.834 4.041 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . rr_1wz5 1 . 1 . 180 . 1 1 13 PRO CA C -2.620 6.471 4.392 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . rr_1wz5 1 . 1 . 181 . 1 1 13 PRO CB C -2.663 5.133 5.138 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . rr_1wz5 1 . 1 . 182 . 1 1 13 PRO CD C -4.048 4.901 3.201 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . rr_1wz5 1 . 1 . 183 . 1 1 13 PRO CG C -3.874 4.438 4.620 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . rr_1wz5 1 . 1 . 184 . 1 1 13 PRO HA H -3.046 7.247 5.011 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . rr_1wz5 1 . 1 . 185 . 1 1 13 PRO HB2 H -1.765 4.572 4.926 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . rr_1wz5 1 . 1 . 186 . 1 1 13 PRO HB3 H -2.738 5.314 6.200 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . rr_1wz5 1 . 1 . 187 . 1 1 13 PRO HD2 H -3.534 4.236 2.525 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . rr_1wz5 1 . 1 . 188 . 1 1 13 PRO HD3 H -5.094 4.959 2.952 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . rr_1wz5 1 . 1 . 189 . 1 1 13 PRO HG2 H -3.722 3.369 4.648 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . rr_1wz5 1 . 1 . 190 . 1 1 13 PRO HG3 H -4.736 4.709 5.211 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . rr_1wz5 1 . 1 . 191 . 1 1 13 PRO N N -3.427 6.236 3.196 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . rr_1wz5 1 . 1 . 192 . 1 1 13 PRO O O -0.606 7.757 4.616 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . rr_1wz5 1 . 1 . 193 . 1 1 14 CYS C C 0.932 7.615 1.882 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . rr_1wz5 1 . 1 . 194 . 1 1 14 CYS CA C 0.762 6.317 2.679 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . rr_1wz5 1 . 1 . 195 . 1 1 14 CYS CB C 1.235 5.121 1.856 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . rr_1wz5 1 . 1 . 196 . 1 1 14 CYS H H -1.113 5.357 2.685 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . rr_1wz5 1 . 1 . 197 . 1 1 14 CYS HA H 1.369 6.383 3.568 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . rr_1wz5 1 . 1 . 198 . 1 1 14 CYS HB2 H 2.303 5.061 1.913 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . rr_1wz5 1 . 1 . 199 . 1 1 14 CYS HB3 H 0.809 4.219 2.271 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . rr_1wz5 1 . 1 . 200 . 1 1 14 CYS N N -0.608 6.091 3.101 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . rr_1wz5 1 . 1 . 201 . 1 1 14 CYS O O 1.985 8.255 1.959 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . rr_1wz5 1 . 1 . 202 . 1 1 14 CYS SG S 0.776 5.186 0.094 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . rr_1wz5 1 . 1 . 203 . 1 1 15 GLN C C 0.282 10.430 1.168 . . . 1.0 . . . . . . . . . . . . A . 15 GLN C . . . . . . . . . rr_1wz5 1 . 1 . 204 . 1 1 15 GLN CA C 0.031 9.214 0.293 . . . 1.0 . . . . . . . . . . . . A . 15 GLN CA . . . . . . . . . rr_1wz5 1 . 1 . 205 . 1 1 15 GLN CB C -1.211 9.428 -0.581 . . . 1.0 . . . . . . . . . . . . A . 15 GLN CB . . . . . . . . . rr_1wz5 1 . 1 . 206 . 1 1 15 GLN CD C -2.927 11.264 -0.309 . . . 1.0 . . . . . . . . . . . . A . 15 GLN CD . . . . . . . . . rr_1wz5 1 . 1 . 207 . 1 1 15 GLN CG C -2.434 9.917 0.182 . . . 1.0 . . . . . . . . . . . . A . 15 GLN CG . . . . . . . . . rr_1wz5 1 . 1 . 208 . 1 1 15 GLN H H -0.899 7.455 1.049 . . . 1.0 . . . . . . . . . . . . A . 15 GLN H . . . . . . . . . rr_1wz5 1 . 1 . 209 . 1 1 15 GLN HA H 0.893 9.090 -0.350 . . . 1.0 . . . . . . . . . . . . A . 15 GLN HA . . . . . . . . . rr_1wz5 1 . 1 . 210 . 1 1 15 GLN HB2 H -0.975 10.159 -1.340 . . . 1.0 . . . . . . . . . . . . A . 15 GLN HB2 . . . . . . . . . rr_1wz5 1 . 1 . 211 . 1 1 15 GLN HB3 H -1.462 8.497 -1.062 . . . 1.0 . . . . . . . . . . . . A . 15 GLN HB3 . . . . . . . . . rr_1wz5 1 . 1 . 212 . 1 1 15 GLN HE21 H -2.903 10.615 -2.189 . . . 1.0 . . . . . . . . . . . . A . 15 GLN HE21 . . . . . . . . . rr_1wz5 1 . 1 . 213 . 1 1 15 GLN HE22 H -3.419 12.249 -1.966 . . . 1.0 . . . . . . . . . . . . A . 15 GLN HE22 . . . . . . . . . rr_1wz5 1 . 1 . 214 . 1 1 15 GLN HG2 H -3.227 9.197 0.061 . . . 1.0 . . . . . . . . . . . . A . 15 GLN HG2 . . . . . . . . . rr_1wz5 1 . 1 . 215 . 1 1 15 GLN HG3 H -2.182 10.001 1.227 . . . 1.0 . . . . . . . . . . . . A . 15 GLN HG3 . . . . . . . . . rr_1wz5 1 . 1 . 216 . 1 1 15 GLN N N -0.079 7.999 1.098 . . . 1.0 . . . . . . . . . . . . A . 15 GLN N . . . . . . . . . rr_1wz5 1 . 1 . 217 . 1 1 15 GLN NE2 N -3.101 11.388 -1.620 . . . 1.0 . . . . . . . . . . . . A . 15 GLN NE2 . . . . . . . . . rr_1wz5 1 . 1 . 218 . 1 1 15 GLN O O 0.973 11.361 0.755 . . . 1.0 . . . . . . . . . . . . A . 15 GLN O . . . . . . . . . rr_1wz5 1 . 1 . 219 . 1 1 15 GLN OE1 O -3.151 12.182 0.480 . . . 1.0 . . . . . . . . . . . . A . 15 GLN OE1 . . . . . . . . . rr_1wz5 1 . 1 . 220 . 1 1 16 GLN C C 1.445 11.837 3.353 . . . 1.0 . . . . . . . . . . . . A . 16 GLN C . . . . . . . . . rr_1wz5 1 . 1 . 221 . 1 1 16 GLN CA C -0.043 11.526 3.303 . . . 1.0 . . . . . . . . . . . . A . 16 GLN CA . . . . . . . . . rr_1wz5 1 . 1 . 222 . 1 1 16 GLN CB C -0.563 11.179 4.700 . . . 1.0 . . . . . . . . . . . . A . 16 GLN CB . . . . . . . . . rr_1wz5 1 . 1 . 223 . 1 1 16 GLN CD C -2.050 13.172 5.147 . . . 1.0 . . . . . . . . . . . . A . 16 GLN CD . . . . . . . . . rr_1wz5 1 . 1 . 224 . 1 1 16 GLN CG C -0.819 12.396 5.574 . . . 1.0 . . . . . . . . . . . . A . 16 GLN CG . . . . . . . . . rr_1wz5 1 . 1 . 225 . 1 1 16 GLN H H -0.784 9.643 2.672 . . . 1.0 . . . . . . . . . . . . A . 16 GLN H . . . . . . . . . rr_1wz5 1 . 1 . 226 . 1 1 16 GLN HA H -0.573 12.387 2.923 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HA . . . . . . . . . rr_1wz5 1 . 1 . 227 . 1 1 16 GLN HB2 H -1.489 10.632 4.601 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HB2 . . . . . . . . . rr_1wz5 1 . 1 . 228 . 1 1 16 GLN HB3 H 0.164 10.553 5.196 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HB3 . . . . . . . . . rr_1wz5 1 . 1 . 229 . 1 1 16 GLN HE21 H -2.525 13.510 7.048 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HE21 . . . . . . . . . rr_1wz5 1 . 1 . 230 . 1 1 16 GLN HE22 H -3.605 14.176 5.875 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HE22 . . . . . . . . . rr_1wz5 1 . 1 . 231 . 1 1 16 GLN HG2 H -0.954 12.069 6.594 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HG2 . . . . . . . . . rr_1wz5 1 . 1 . 232 . 1 1 16 GLN HG3 H 0.039 13.051 5.517 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HG3 . . . . . . . . . rr_1wz5 1 . 1 . 233 . 1 1 16 GLN N N -0.256 10.417 2.384 . . . 1.0 . . . . . . . . . . . . A . 16 GLN N . . . . . . . . . rr_1wz5 1 . 1 . 234 . 1 1 16 GLN NE2 N -2.803 13.670 6.122 . . . 1.0 . . . . . . . . . . . . A . 16 GLN NE2 . . . . . . . . . rr_1wz5 1 . 1 . 235 . 1 1 16 GLN O O 1.862 12.989 3.237 . . . 1.0 . . . . . . . . . . . . A . 16 GLN O . . . . . . . . . rr_1wz5 1 . 1 . 236 . 1 1 16 GLN OE1 O -2.322 13.323 3.956 . . . 1.0 . . . . . . . . . . . . A . 16 GLN OE1 . . . . . . . . . rr_1wz5 1 . 1 . 237 . 1 1 17 GLN C C 4.213 11.256 2.126 . . . 1.0 . . . . . . . . . . . . A . 17 GLN C . . . . . . . . . rr_1wz5 1 . 1 . 238 . 1 1 17 GLN CA C 3.684 10.904 3.516 . . . 1.0 . . . . . . . . . . . . A . 17 GLN CA . . . . . . . . . rr_1wz5 1 . 1 . 239 . 1 1 17 GLN CB C 4.321 9.602 4.010 . . . 1.0 . . . . . . . . . . . . A . 17 GLN CB . . . . . . . . . rr_1wz5 1 . 1 . 240 . 1 1 17 GLN CD C 6.473 8.312 3.712 . . . 1.0 . . . . . . . . . . . . A . 17 GLN CD . . . . . . . . . rr_1wz5 1 . 1 . 241 . 1 1 17 GLN CG C 5.840 9.645 4.060 . . . 1.0 . . . . . . . . . . . . A . 17 GLN CG . . . . . . . . . rr_1wz5 1 . 1 . 242 . 1 1 17 GLN H H 1.835 9.885 3.551 . . . 1.0 . . . . . . . . . . . . A . 17 GLN H . . . . . . . . . rr_1wz5 1 . 1 . 243 . 1 1 17 GLN HA H 3.937 11.701 4.198 . . . 1.0 . . . . . . . . . . . . A . 17 GLN HA . . . . . . . . . rr_1wz5 1 . 1 . 244 . 1 1 17 GLN HB2 H 3.957 9.393 5.005 . . . 1.0 . . . . . . . . . . . . A . 17 GLN HB2 . . . . . . . . . rr_1wz5 1 . 1 . 245 . 1 1 17 GLN HB3 H 4.027 8.798 3.353 . . . 1.0 . . . . . . . . . . . . A . 17 GLN HB3 . . . . . . . . . rr_1wz5 1 . 1 . 246 . 1 1 17 GLN HE21 H 5.087 7.350 4.764 . . . 1.0 . . . . . . . . . . . . A . 17 GLN HE21 . . . . . . . . . rr_1wz5 1 . 1 . 247 . 1 1 17 GLN HE22 H 6.273 6.355 3.998 . . . 1.0 . . . . . . . . . . . . A . 17 GLN HE22 . . . . . . . . . rr_1wz5 1 . 1 . 248 . 1 1 17 GLN HG2 H 6.191 10.387 3.358 . . . 1.0 . . . . . . . . . . . . A . 17 GLN HG2 . . . . . . . . . rr_1wz5 1 . 1 . 249 . 1 1 17 GLN HG3 H 6.147 9.923 5.058 . . . 1.0 . . . . . . . . . . . . A . 17 GLN HG3 . . . . . . . . . rr_1wz5 1 . 1 . 250 . 1 1 17 GLN N N 2.238 10.779 3.491 . . . 1.0 . . . . . . . . . . . . A . 17 GLN N . . . . . . . . . rr_1wz5 1 . 1 . 251 . 1 1 17 GLN NE2 N 5.885 7.230 4.208 . . . 1.0 . . . . . . . . . . . . A . 17 GLN NE2 . . . . . . . . . rr_1wz5 1 . 1 . 252 . 1 1 17 GLN O O 4.610 12.394 1.871 . . . 1.0 . . . . . . . . . . . . A . 17 GLN O . . . . . . . . . rr_1wz5 1 . 1 . 253 . 1 1 17 GLN OE1 O 7.479 8.255 3.004 . . . 1.0 . . . . . . . . . . . . A . 17 GLN OE1 . . . . . . . . . rr_1wz5 1 . 1 . 254 . 1 1 18 THR C C 3.700 11.313 -0.951 . . . 1.0 . . . . . . . . . . . . A . 18 THR C . . . . . . . . . rr_1wz5 1 . 1 . 255 . 1 1 18 THR CA C 4.688 10.468 -0.139 . . . 1.0 . . . . . . . . . . . . A . 18 THR CA . . . . . . . . . rr_1wz5 1 . 1 . 256 . 1 1 18 THR CB C 4.945 9.115 -0.809 . . . 1.0 . . . . . . . . . . . . A . 18 THR CB . . . . . . . . . rr_1wz5 1 . 1 . 257 . 1 1 18 THR CG2 C 6.102 9.139 -1.785 . . . 1.0 . . . . . . . . . . . . A . 18 THR CG2 . . . . . . . . . rr_1wz5 1 . 1 . 258 . 1 1 18 THR H H 3.867 9.384 1.487 . . . 1.0 . . . . . . . . . . . . A . 18 THR H . . . . . . . . . rr_1wz5 1 . 1 . 259 . 1 1 18 THR HA H 5.623 11.006 -0.079 . . . 1.0 . . . . . . . . . . . . A . 18 THR HA . . . . . . . . . rr_1wz5 1 . 1 . 260 . 1 1 18 THR HB H 4.059 8.817 -1.350 . . . 1.0 . . . . . . . . . . . . A . 18 THR HB . . . . . . . . . rr_1wz5 1 . 1 . 261 . 1 1 18 THR HG1 H 5.415 7.290 -0.273 . . . 1.0 . . . . . . . . . . . . A . 18 THR HG1 . . . . . . . . . rr_1wz5 1 . 1 . 262 . 1 1 18 THR HG21 H 5.969 8.358 -2.520 . . . 1.0 . . . . . . . . . . . . A . 18 THR HG21 . . . . . . . . . rr_1wz5 1 . 1 . 263 . 1 1 18 THR HG22 H 7.027 8.977 -1.251 . . . 1.0 . . . . . . . . . . . . A . 18 THR HG22 . . . . . . . . . rr_1wz5 1 . 1 . 264 . 1 1 18 THR HG23 H 6.136 10.097 -2.281 . . . 1.0 . . . . . . . . . . . . A . 18 THR HG23 . . . . . . . . . rr_1wz5 1 . 1 . 265 . 1 1 18 THR N N 4.212 10.268 1.228 . . . 1.0 . . . . . . . . . . . . A . 18 THR N . . . . . . . . . rr_1wz5 1 . 1 . 266 . 1 1 18 THR O O 3.011 12.171 -0.400 . . . 1.0 . . . . . . . . . . . . A . 18 THR O . . . . . . . . . rr_1wz5 1 . 1 . 267 . 1 1 18 THR OG1 O 5.233 8.126 0.164 . . . 1.0 . . . . . . . . . . . . A . 18 THR OG1 . . . . . . . . . rr_1wz5 1 . 1 . 268 . 1 1 19 GLY C C 1.753 10.896 -3.854 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_1wz5 1 . 1 . 269 . 1 1 19 GLY CA C 2.720 11.803 -3.115 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_1wz5 1 . 1 . 270 . 1 1 19 GLY H H 4.197 10.367 -2.649 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_1wz5 1 . 1 . 271 . 1 1 19 GLY HA2 H 2.156 12.495 -2.507 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_1wz5 1 . 1 . 272 . 1 1 19 GLY HA3 H 3.296 12.362 -3.838 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_1wz5 1 . 1 . 273 . 1 1 19 GLY N N 3.630 11.062 -2.261 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_1wz5 1 . 1 . 274 . 1 1 19 GLY O O 1.208 9.958 -3.273 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_1wz5 1 . 1 . 275 . 1 1 20 ABA C C 1.191 9.008 -6.252 . . . 1.0 . . . . . . . . . . . . A . 20 ABA C . . . . . . . . . rr_1wz5 1 . 1 . 276 . 1 1 20 ABA CA C 0.634 10.404 -5.955 . . . 1.0 . . . . . . . . . . . . A . 20 ABA CA . . . . . . . . . rr_1wz5 1 . 1 . 277 . 1 1 20 ABA CB C 0.377 11.156 -7.255 . . . 1.0 . . . . . . . . . . . . A . 20 ABA CB . . . . . . . . . rr_1wz5 1 . 1 . 278 . 1 1 20 ABA CG C 0.149 12.942 -7.063 . . . 1.0 . . . . . . . . . . . . A . 20 ABA CG . . . . . . . . . rr_1wz5 1 . 1 . 279 . 1 1 20 ABA H H 1.985 11.936 -5.547 . . . 1.0 . . . . . . . . . . . . A . 20 ABA H . . . . . . . . . rr_1wz5 1 . 1 . 280 . 1 1 20 ABA HA H -0.298 10.302 -5.421 . . . 1.0 . . . . . . . . . . . . A . 20 ABA HA . . . . . . . . . rr_1wz5 1 . 1 . 281 . 1 1 20 ABA HB2 H -0.504 10.767 -7.696 . . . 1.0 . . . . . . . . . . . . A . 20 ABA HB2 . . . . . . . . . rr_1wz5 1 . 1 . 282 . 1 1 20 ABA HB3 H 1.206 11.001 -7.926 . . . 1.0 . . . . . . . . . . . . A . 20 ABA HB3 . . . . . . . . . rr_1wz5 1 . 1 . 283 . 1 1 20 ABA HG1 H 0.683 13.818 -6.771 . . . 1.0 . . . . . . . . . . . . A . 20 ABA HG1 . . . . . . . . . rr_1wz5 1 . 1 . 284 . 1 1 20 ABA HG2 H 0.383 13.418 -6.771 . . . 1.0 . . . . . . . . . . . . A . 20 ABA HG2 . . . . . . . . . rr_1wz5 1 . 1 . 285 . 1 1 20 ABA HG3 H 0.983 13.318 -6.771 . . . 1.0 . . . . . . . . . . . . A . 20 ABA HG3 . . . . . . . . . rr_1wz5 1 . 1 . 286 . 1 1 20 ABA N N 1.535 11.179 -5.136 . . . 1.0 . . . . . . . . . . . . A . 20 ABA N . . . . . . . . . rr_1wz5 1 . 1 . 287 . 1 1 20 ABA O O 0.479 8.012 -6.125 . . . 1.0 . . . . . . . . . . . . A . 20 ABA O . . . . . . . . . rr_1wz5 1 . 1 . 288 . 1 1 21 PRO C C 3.479 6.855 -5.713 . . . 1.0 . . . . . . . . . . . . A . 21 PRO C . . . . . . . . . rr_1wz5 1 . 1 . 289 . 1 1 21 PRO CA C 3.116 7.635 -6.972 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CA . . . . . . . . . rr_1wz5 1 . 1 . 290 . 1 1 21 PRO CB C 4.386 8.042 -7.744 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CB . . . . . . . . . rr_1wz5 1 . 1 . 291 . 1 1 21 PRO CD C 3.402 10.030 -6.839 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CD . . . . . . . . . rr_1wz5 1 . 1 . 292 . 1 1 21 PRO CG C 4.296 9.524 -7.932 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CG . . . . . . . . . rr_1wz5 1 . 1 . 293 . 1 1 21 PRO HA H 2.487 7.024 -7.604 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HA . . . . . . . . . rr_1wz5 1 . 1 . 294 . 1 1 21 PRO HB2 H 5.260 7.775 -7.168 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB2 . . . . . . . . . rr_1wz5 1 . 1 . 295 . 1 1 21 PRO HB3 H 4.409 7.528 -8.693 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB3 . . . . . . . . . rr_1wz5 1 . 1 . 296 . 1 1 21 PRO HD2 H 3.968 10.213 -5.938 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD2 . . . . . . . . . rr_1wz5 1 . 1 . 297 . 1 1 21 PRO HD3 H 2.882 10.921 -7.152 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD3 . . . . . . . . . rr_1wz5 1 . 1 . 298 . 1 1 21 PRO HG2 H 5.277 9.966 -7.846 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG2 . . . . . . . . . rr_1wz5 1 . 1 . 299 . 1 1 21 PRO HG3 H 3.867 9.745 -8.899 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG3 . . . . . . . . . rr_1wz5 1 . 1 . 300 . 1 1 21 PRO N N 2.473 8.914 -6.656 . . . 1.0 . . . . . . . . . . . . A . 21 PRO N . . . . . . . . . rr_1wz5 1 . 1 . 301 . 1 1 21 PRO O O 4.647 6.554 -5.467 . . . 1.0 . . . . . . . . . . . . A . 21 PRO O . . . . . . . . . rr_1wz5 1 . 1 . 302 . 1 1 22 ASN C C 1.773 4.589 -3.570 . . . 1.0 . . . . . . . . . . . . A . 22 ASN C . . . . . . . . . rr_1wz5 1 . 1 . 303 . 1 1 22 ASN CA C 2.676 5.816 -3.664 . . . 1.0 . . . . . . . . . . . . A . 22 ASN CA . . . . . . . . . rr_1wz5 1 . 1 . 304 . 1 1 22 ASN CB C 2.396 6.741 -2.482 . . . 1.0 . . . . . . . . . . . . A . 22 ASN CB . . . . . . . . . rr_1wz5 1 . 1 . 305 . 1 1 22 ASN CG C 3.297 6.469 -1.298 . . . 1.0 . . . . . . . . . . . . A . 22 ASN CG . . . . . . . . . rr_1wz5 1 . 1 . 306 . 1 1 22 ASN H H 1.563 6.825 -5.156 . . . 1.0 . . . . . . . . . . . . A . 22 ASN H . . . . . . . . . rr_1wz5 1 . 1 . 307 . 1 1 22 ASN HA H 3.707 5.500 -3.627 . . . 1.0 . . . . . . . . . . . . A . 22 ASN HA . . . . . . . . . rr_1wz5 1 . 1 . 308 . 1 1 22 ASN HB2 H 2.543 7.764 -2.793 . . . 1.0 . . . . . . . . . . . . A . 22 ASN HB2 . . . . . . . . . rr_1wz5 1 . 1 . 309 . 1 1 22 ASN HB3 H 1.372 6.608 -2.170 . . . 1.0 . . . . . . . . . . . . A . 22 ASN HB3 . . . . . . . . . rr_1wz5 1 . 1 . 310 . 1 1 22 ASN HD21 H 2.239 7.721 -0.178 . . . 1.0 . . . . . . . . . . . . A . 22 ASN HD21 . . . . . . . . . rr_1wz5 1 . 1 . 311 . 1 1 22 ASN HD22 H 3.573 6.958 0.609 . . . 1.0 . . . . . . . . . . . . A . 22 ASN HD22 . . . . . . . . . rr_1wz5 1 . 1 . 312 . 1 1 22 ASN N N 2.469 6.545 -4.910 . . . 1.0 . . . . . . . . . . . . A . 22 ASN N . . . . . . . . . rr_1wz5 1 . 1 . 313 . 1 1 22 ASN ND2 N 3.007 7.114 -0.176 . . . 1.0 . . . . . . . . . . . . A . 22 ASN ND2 . . . . . . . . . rr_1wz5 1 . 1 . 314 . 1 1 22 ASN O O 0.646 4.681 -3.083 . . . 1.0 . . . . . . . . . . . . A . 22 ASN O . . . . . . . . . rr_1wz5 1 . 1 . 315 . 1 1 22 ASN OD1 O 4.241 5.692 -1.390 . . . 1.0 . . . . . . . . . . . . A . 22 ASN OD1 . . . . . . . . . rr_1wz5 1 . 1 . 316 . 1 1 23 SER C C 2.300 0.970 -4.330 . . . 1.0 . . . . . . . . . . . . A . 23 SER C . . . . . . . . . rr_1wz5 1 . 1 . 317 . 1 1 23 SER CA C 1.483 2.209 -3.961 . . . 1.0 . . . . . . . . . . . . A . 23 SER CA . . . . . . . . . rr_1wz5 1 . 1 . 318 . 1 1 23 SER CB C 0.257 2.312 -4.870 . . . 1.0 . . . . . . . . . . . . A . 23 SER CB . . . . . . . . . rr_1wz5 1 . 1 . 319 . 1 1 23 SER H H 3.174 3.420 -4.394 . . . 1.0 . . . . . . . . . . . . A . 23 SER H . . . . . . . . . rr_1wz5 1 . 1 . 320 . 1 1 23 SER HA H 1.147 2.097 -2.941 . . . 1.0 . . . . . . . . . . . . A . 23 SER HA . . . . . . . . . rr_1wz5 1 . 1 . 321 . 1 1 23 SER HB2 H -0.022 1.324 -5.208 . . . 1.0 . . . . . . . . . . . . A . 23 SER HB2 . . . . . . . . . rr_1wz5 1 . 1 . 322 . 1 1 23 SER HB3 H -0.562 2.748 -4.318 . . . 1.0 . . . . . . . . . . . . A . 23 SER HB3 . . . . . . . . . rr_1wz5 1 . 1 . 323 . 1 1 23 SER HG H 0.358 4.040 -5.786 . . . 1.0 . . . . . . . . . . . . A . 23 SER HG . . . . . . . . . rr_1wz5 1 . 1 . 324 . 1 1 23 SER N N 2.268 3.440 -4.024 . . . 1.0 . . . . . . . . . . . . A . 23 SER N . . . . . . . . . rr_1wz5 1 . 1 . 325 . 1 1 23 SER O O 3.055 0.973 -5.302 . . . 1.0 . . . . . . . . . . . . A . 23 SER O . . . . . . . . . rr_1wz5 1 . 1 . 326 . 1 1 23 SER OG O 0.527 3.120 -6.002 . . . 1.0 . . . . . . . . . . . . A . 23 SER OG . . . . . . . . . rr_1wz5 1 . 1 . 327 . 1 1 24 LYS C C 2.209 -2.430 -2.865 . . . 1.0 . . . . . . . . . . . . A . 24 LYS C . . . . . . . . . rr_1wz5 1 . 1 . 328 . 1 1 24 LYS CA C 2.809 -1.358 -3.771 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CA . . . . . . . . . rr_1wz5 1 . 1 . 329 . 1 1 24 LYS CB C 4.304 -1.203 -3.495 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CB . . . . . . . . . rr_1wz5 1 . 1 . 330 . 1 1 24 LYS CD C 6.493 -2.060 -4.353 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CD . . . . . . . . . rr_1wz5 1 . 1 . 331 . 1 1 24 LYS CE C 6.848 -3.185 -5.312 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CE . . . . . . . . . rr_1wz5 1 . 1 . 332 . 1 1 24 LYS CG C 5.174 -1.406 -4.722 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CG . . . . . . . . . rr_1wz5 1 . 1 . 333 . 1 1 24 LYS H H 1.499 -0.029 -2.793 . . . 1.0 . . . . . . . . . . . . A . 24 LYS H . . . . . . . . . rr_1wz5 1 . 1 . 334 . 1 1 24 LYS HA H 2.661 -1.642 -4.802 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HA . . . . . . . . . rr_1wz5 1 . 1 . 335 . 1 1 24 LYS HB2 H 4.486 -0.210 -3.111 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB2 . . . . . . . . . rr_1wz5 1 . 1 . 336 . 1 1 24 LYS HB3 H 4.598 -1.926 -2.750 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB3 . . . . . . . . . rr_1wz5 1 . 1 . 337 . 1 1 24 LYS HD2 H 7.272 -1.315 -4.384 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD2 . . . . . . . . . rr_1wz5 1 . 1 . 338 . 1 1 24 LYS HD3 H 6.414 -2.461 -3.353 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD3 . . . . . . . . . rr_1wz5 1 . 1 . 339 . 1 1 24 LYS HE2 H 5.988 -3.828 -5.428 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE2 . . . . . . . . . rr_1wz5 1 . 1 . 340 . 1 1 24 LYS HE3 H 7.109 -2.757 -6.268 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE3 . . . . . . . . . rr_1wz5 1 . 1 . 341 . 1 1 24 LYS HG2 H 4.651 -2.039 -5.423 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG2 . . . . . . . . . rr_1wz5 1 . 1 . 342 . 1 1 24 LYS HG3 H 5.371 -0.446 -5.176 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG3 . . . . . . . . . rr_1wz5 1 . 1 . 343 . 1 1 24 LYS HZ1 H 7.645 -4.822 -4.287 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ1 . . . . . . . . . rr_1wz5 1 . 1 . 344 . 1 1 24 LYS HZ2 H 8.591 -3.423 -4.185 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ2 . . . . . . . . . rr_1wz5 1 . 1 . 345 . 1 1 24 LYS HZ3 H 8.570 -4.328 -5.615 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ3 . . . . . . . . . rr_1wz5 1 . 1 . 346 . 1 1 24 LYS N N 2.121 -0.093 -3.546 . . . 1.0 . . . . . . . . . . . . A . 24 LYS N . . . . . . . . . rr_1wz5 1 . 1 . 347 . 1 1 24 LYS NZ N 7.994 -3.996 -4.815 . . . 1.0 . . . . . . . . . . . . A . 24 LYS NZ . . . . . . . . . rr_1wz5 1 . 1 . 348 . 1 1 24 LYS O O 1.840 -2.145 -1.733 . . . 1.0 . . . . . . . . . . . . A . 24 LYS O . . . . . . . . . rr_1wz5 1 . 1 . 349 . 1 1 25 CYS C C 2.227 -6.048 -2.736 . . . 1.0 . . . . . . . . . . . . A . 25 CYS C . . . . . . . . . rr_1wz5 1 . 1 . 350 . 1 1 25 CYS CA C 1.495 -4.723 -2.558 . . . 1.0 . . . . . . . . . . . . A . 25 CYS CA . . . . . . . . . rr_1wz5 1 . 1 . 351 . 1 1 25 CYS CB C 0.026 -4.894 -2.931 . . . 1.0 . . . . . . . . . . . . A . 25 CYS CB . . . . . . . . . rr_1wz5 1 . 1 . 352 . 1 1 25 CYS H H 2.366 -3.842 -4.277 . . . 1.0 . . . . . . . . . . . . A . 25 CYS H . . . . . . . . . rr_1wz5 1 . 1 . 353 . 1 1 25 CYS HA H 1.557 -4.429 -1.520 . . . 1.0 . . . . . . . . . . . . A . 25 CYS HA . . . . . . . . . rr_1wz5 1 . 1 . 354 . 1 1 25 CYS HB2 H -0.338 -3.967 -3.346 . . . 1.0 . . . . . . . . . . . . A . 25 CYS HB2 . . . . . . . . . rr_1wz5 1 . 1 . 355 . 1 1 25 CYS HB3 H -0.058 -5.672 -3.675 . . . 1.0 . . . . . . . . . . . . A . 25 CYS HB3 . . . . . . . . . rr_1wz5 1 . 1 . 356 . 1 1 25 CYS N N 2.082 -3.656 -3.360 . . . 1.0 . . . . . . . . . . . . A . 25 CYS N . . . . . . . . . rr_1wz5 1 . 1 . 357 . 1 1 25 CYS O O 2.578 -6.434 -3.851 . . . 1.0 . . . . . . . . . . . . A . 25 CYS O . . . . . . . . . rr_1wz5 1 . 1 . 358 . 1 1 25 CYS SG S -1.051 -5.341 -1.531 . . . 1.0 . . . . . . . . . . . . A . 25 CYS SG . . . . . . . . . rr_1wz5 1 . 1 . 359 . 1 1 26 ILE C C 2.306 -9.011 -0.754 . . . 1.0 . . . . . . . . . . . . A . 26 ILE C . . . . . . . . . rr_1wz5 1 . 1 . 360 . 1 1 26 ILE CA C 3.089 -8.044 -1.639 . . . 1.0 . . . . . . . . . . . . A . 26 ILE CA . . . . . . . . . rr_1wz5 1 . 1 . 361 . 1 1 26 ILE CB C 4.563 -7.923 -1.172 . . . 1.0 . . . . . . . . . . . . A . 26 ILE CB . . . . . . . . . rr_1wz5 1 . 1 . 362 . 1 1 26 ILE CD1 C 5.211 -10.387 -1.364 . . . 1.0 . . . . . . . . . . . . A . 26 ILE CD1 . . . . . . . . . rr_1wz5 1 . 1 . 363 . 1 1 26 ILE CG1 C 5.438 -8.976 -1.861 . . . 1.0 . . . . . . . . . . . . A . 26 ILE CG1 . . . . . . . . . rr_1wz5 1 . 1 . 364 . 1 1 26 ILE CG2 C 4.682 -8.023 0.344 . . . 1.0 . . . . . . . . . . . . A . 26 ILE CG2 . . . . . . . . . rr_1wz5 1 . 1 . 365 . 1 1 26 ILE H H 2.111 -6.395 -0.764 . . . 1.0 . . . . . . . . . . . . A . 26 ILE H . . . . . . . . . rr_1wz5 1 . 1 . 366 . 1 1 26 ILE HA H 3.079 -8.413 -2.655 . . . 1.0 . . . . . . . . . . . . A . 26 ILE HA . . . . . . . . . rr_1wz5 1 . 1 . 367 . 1 1 26 ILE HB H 4.916 -6.944 -1.459 . . . 1.0 . . . . . . . . . . . . A . 26 ILE HB . . . . . . . . . rr_1wz5 1 . 1 . 368 . 1 1 26 ILE HD11 H 6.159 -10.832 -1.098 . . . 1.0 . . . . . . . . . . . . A . 26 ILE HD11 . . . . . . . . . rr_1wz5 1 . 1 . 369 . 1 1 26 ILE HD12 H 4.744 -10.972 -2.142 . . . 1.0 . . . . . . . . . . . . A . 26 ILE HD12 . . . . . . . . . rr_1wz5 1 . 1 . 370 . 1 1 26 ILE HD13 H 4.570 -10.363 -0.498 . . . 1.0 . . . . . . . . . . . . A . 26 ILE HD13 . . . . . . . . . rr_1wz5 1 . 1 . 371 . 1 1 26 ILE HG12 H 5.235 -8.964 -2.921 . . . 1.0 . . . . . . . . . . . . A . 26 ILE HG12 . . . . . . . . . rr_1wz5 1 . 1 . 372 . 1 1 26 ILE HG13 H 6.478 -8.731 -1.697 . . . 1.0 . . . . . . . . . . . . A . 26 ILE HG13 . . . . . . . . . rr_1wz5 1 . 1 . 373 . 1 1 26 ILE HG21 H 4.330 -8.990 0.671 . . . 1.0 . . . . . . . . . . . . A . 26 ILE HG21 . . . . . . . . . rr_1wz5 1 . 1 . 374 . 1 1 26 ILE HG22 H 4.087 -7.248 0.803 . . . 1.0 . . . . . . . . . . . . A . 26 ILE HG22 . . . . . . . . . rr_1wz5 1 . 1 . 375 . 1 1 26 ILE HG23 H 5.716 -7.900 0.633 . . . 1.0 . . . . . . . . . . . . A . 26 ILE HG23 . . . . . . . . . rr_1wz5 1 . 1 . 376 . 1 1 26 ILE N N 2.430 -6.751 -1.624 . . . 1.0 . . . . . . . . . . . . A . 26 ILE N . . . . . . . . . rr_1wz5 1 . 1 . 377 . 1 1 26 ILE O O 1.687 -8.590 0.224 . . . 1.0 . . . . . . . . . . . . A . 26 ILE O . . . . . . . . . rr_1wz5 1 . 1 . 378 . 1 1 27 ASN C C 1.668 -11.036 1.164 . . . 1.0 . . . . . . . . . . . . A . 27 ASN C . . . . . . . . . rr_1wz5 1 . 1 . 379 . 1 1 27 ASN CA C 1.565 -11.299 -0.337 . . . 1.0 . . . . . . . . . . . . A . 27 ASN CA . . . . . . . . . rr_1wz5 1 . 1 . 380 . 1 1 27 ASN CB C 2.086 -12.702 -0.655 . . . 1.0 . . . . . . . . . . . . A . 27 ASN CB . . . . . . . . . rr_1wz5 1 . 1 . 381 . 1 1 27 ASN CG C 1.180 -13.792 -0.114 . . . 1.0 . . . . . . . . . . . . A . 27 ASN CG . . . . . . . . . rr_1wz5 1 . 1 . 382 . 1 1 27 ASN H H 2.800 -10.573 -1.904 . . . 1.0 . . . . . . . . . . . . A . 27 ASN H . . . . . . . . . rr_1wz5 1 . 1 . 383 . 1 1 27 ASN HA H 0.528 -11.236 -0.629 . . . 1.0 . . . . . . . . . . . . A . 27 ASN HA . . . . . . . . . rr_1wz5 1 . 1 . 384 . 1 1 27 ASN HB2 H 2.157 -12.819 -1.727 . . . 1.0 . . . . . . . . . . . . A . 27 ASN HB2 . . . . . . . . . rr_1wz5 1 . 1 . 385 . 1 1 27 ASN HB3 H 3.066 -12.823 -0.218 . . . 1.0 . . . . . . . . . . . . A . 27 ASN HB3 . . . . . . . . . rr_1wz5 1 . 1 . 386 . 1 1 27 ASN HD21 H -0.394 -12.961 -1.000 . . . 1.0 . . . . . . . . . . . . A . 27 ASN HD21 . . . . . . . . . rr_1wz5 1 . 1 . 387 . 1 1 27 ASN HD22 H -0.713 -14.401 -0.100 . . . 1.0 . . . . . . . . . . . . A . 27 ASN HD22 . . . . . . . . . rr_1wz5 1 . 1 . 388 . 1 1 27 ASN N N 2.307 -10.295 -1.105 . . . 1.0 . . . . . . . . . . . . A . 27 ASN N . . . . . . . . . rr_1wz5 1 . 1 . 389 . 1 1 27 ASN ND2 N -0.105 -13.710 -0.438 . . . 1.0 . . . . . . . . . . . . A . 27 ASN ND2 . . . . . . . . . rr_1wz5 1 . 1 . 390 . 1 1 27 ASN O O 0.668 -11.064 1.881 . . . 1.0 . . . . . . . . . . . . A . 27 ASN O . . . . . . . . . rr_1wz5 1 . 1 . 391 . 1 1 27 ASN OD1 O 1.631 -14.699 0.586 . . . 1.0 . . . . . . . . . . . . A . 27 ASN OD1 . . . . . . . . . rr_1wz5 1 . 1 . 392 . 1 1 28 ARG C C 2.301 -9.362 3.555 . . . 1.0 . . . . . . . . . . . . A . 28 ARG C . . . . . . . . . rr_1wz5 1 . 1 . 393 . 1 1 28 ARG CA C 3.136 -10.529 3.024 . . . 1.0 . . . . . . . . . . . . A . 28 ARG CA . . . . . . . . . rr_1wz5 1 . 1 . 394 . 1 1 28 ARG CB C 4.625 -10.258 3.254 . . . 1.0 . . . . . . . . . . . . A . 28 ARG CB . . . . . . . . . rr_1wz5 1 . 1 . 395 . 1 1 28 ARG CD C 4.941 -12.761 3.363 . . . 1.0 . . . . . . . . . . . . A . 28 ARG CD . . . . . . . . . rr_1wz5 1 . 1 . 396 . 1 1 28 ARG CG C 5.528 -11.434 2.901 . . . 1.0 . . . . . . . . . . . . A . 28 ARG CG . . . . . . . . . rr_1wz5 1 . 1 . 397 . 1 1 28 ARG CZ C 6.764 -14.191 4.212 . . . 1.0 . . . . . . . . . . . . A . 28 ARG CZ . . . . . . . . . rr_1wz5 1 . 1 . 398 . 1 1 28 ARG H H 3.633 -10.794 1.019 . . . 1.0 . . . . . . . . . . . . A . 28 ARG H . . . . . . . . . rr_1wz5 1 . 1 . 399 . 1 1 28 ARG HA H 2.867 -11.418 3.551 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HA . . . . . . . . . rr_1wz5 1 . 1 . 400 . 1 1 28 ARG HB2 H 4.921 -9.412 2.651 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HB2 . . . . . . . . . rr_1wz5 1 . 1 . 401 . 1 1 28 ARG HB3 H 4.777 -10.016 4.295 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HB3 . . . . . . . . . rr_1wz5 1 . 1 . 402 . 1 1 28 ARG HD2 H 4.634 -12.665 4.393 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HD2 . . . . . . . . . rr_1wz5 1 . 1 . 403 . 1 1 28 ARG HD3 H 4.080 -12.989 2.752 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HD3 . . . . . . . . . rr_1wz5 1 . 1 . 404 . 1 1 28 ARG HE H 5.906 -14.371 2.419 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HE . . . . . . . . . rr_1wz5 1 . 1 . 405 . 1 1 28 ARG HG2 H 5.658 -11.465 1.829 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HG2 . . . . . . . . . rr_1wz5 1 . 1 . 406 . 1 1 28 ARG HG3 H 6.488 -11.291 3.376 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HG3 . . . . . . . . . rr_1wz5 1 . 1 . 407 . 1 1 28 ARG HH11 H 6.171 -12.753 5.505 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HH11 . . . . . . . . . rr_1wz5 1 . 1 . 408 . 1 1 28 ARG HH12 H 7.445 -13.779 6.070 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HH12 . . . . . . . . . rr_1wz5 1 . 1 . 409 . 1 1 28 ARG HH21 H 7.580 -15.717 3.166 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HH21 . . . . . . . . . rr_1wz5 1 . 1 . 410 . 1 1 28 ARG HH22 H 8.246 -15.458 4.744 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HH22 . . . . . . . . . rr_1wz5 1 . 1 . 411 . 1 1 28 ARG N N 2.885 -10.789 1.627 . . . 1.0 . . . . . . . . . . . . A . 28 ARG N . . . . . . . . . rr_1wz5 1 . 1 . 412 . 1 1 28 ARG NE N 5.903 -13.856 3.252 . . . 1.0 . . . . . . . . . . . . A . 28 ARG NE . . . . . . . . . rr_1wz5 1 . 1 . 413 . 1 1 28 ARG NH1 N 6.795 -13.518 5.355 . . . 1.0 . . . . . . . . . . . . A . 28 ARG NH1 . . . . . . . . . rr_1wz5 1 . 1 . 414 . 1 1 28 ARG NH2 N 7.599 -15.205 4.026 . . . 1.0 . . . . . . . . . . . . A . 28 ARG NH2 . . . . . . . . . rr_1wz5 1 . 1 . 415 . 1 1 28 ARG O O 1.644 -9.490 4.589 . . . 1.0 . . . . . . . . . . . . A . 28 ARG O . . . . . . . . . rr_1wz5 1 . 1 . 416 . 1 1 29 MET C C 1.573 -5.947 2.266 . . . 1.0 . . . . . . . . . . . . A . 29 MET C . . . . . . . . . rr_1wz5 1 . 1 . 417 . 1 1 29 MET CA C 1.576 -7.054 3.311 . . . 1.0 . . . . . . . . . . . . A . 29 MET CA . . . . . . . . . rr_1wz5 1 . 1 . 418 . 1 1 29 MET CB C 2.161 -6.522 4.622 . . . 1.0 . . . . . . . . . . . . A . 29 MET CB . . . . . . . . . rr_1wz5 1 . 1 . 419 . 1 1 29 MET CE C 0.153 -5.667 8.159 . . . 1.0 . . . . . . . . . . . . A . 29 MET CE . . . . . . . . . rr_1wz5 1 . 1 . 420 . 1 1 29 MET CG C 1.115 -5.967 5.576 . . . 1.0 . . . . . . . . . . . . A . 29 MET CG . . . . . . . . . rr_1wz5 1 . 1 . 421 . 1 1 29 MET H H 2.874 -8.158 2.044 . . . 1.0 . . . . . . . . . . . . A . 29 MET H . . . . . . . . . rr_1wz5 1 . 1 . 422 . 1 1 29 MET HA H 0.558 -7.363 3.487 . . . 1.0 . . . . . . . . . . . . A . 29 MET HA . . . . . . . . . rr_1wz5 1 . 1 . 423 . 1 1 29 MET HB2 H 2.685 -7.325 5.120 . . . 1.0 . . . . . . . . . . . . A . 29 MET HB2 . . . . . . . . . rr_1wz5 1 . 1 . 424 . 1 1 29 MET HB3 H 2.864 -5.734 4.394 . . . 1.0 . . . . . . . . . . . . A . 29 MET HB3 . . . . . . . . . rr_1wz5 1 . 1 . 425 . 1 1 29 MET HE1 H -0.442 -6.212 8.877 . . . 1.0 . . . . . . . . . . . . A . 29 MET HE1 . . . . . . . . . rr_1wz5 1 . 1 . 426 . 1 1 29 MET HE2 H -0.496 -5.088 7.519 . . . 1.0 . . . . . . . . . . . . A . 29 MET HE2 . . . . . . . . . rr_1wz5 1 . 1 . 427 . 1 1 29 MET HE3 H 0.830 -5.006 8.680 . . . 1.0 . . . . . . . . . . . . A . 29 MET HE3 . . . . . . . . . rr_1wz5 1 . 1 . 428 . 1 1 29 MET HG2 H 1.325 -4.922 5.750 . . . 1.0 . . . . . . . . . . . . A . 29 MET HG2 . . . . . . . . . rr_1wz5 1 . 1 . 429 . 1 1 29 MET HG3 H 0.142 -6.065 5.118 . . . 1.0 . . . . . . . . . . . . A . 29 MET HG3 . . . . . . . . . rr_1wz5 1 . 1 . 430 . 1 1 29 MET N N 2.333 -8.220 2.863 . . . 1.0 . . . . . . . . . . . . A . 29 MET N . . . . . . . . . rr_1wz5 1 . 1 . 431 . 1 1 29 MET O O 2.168 -6.076 1.196 . . . 1.0 . . . . . . . . . . . . A . 29 MET O . . . . . . . . . rr_1wz5 1 . 1 . 432 . 1 1 29 MET SD S 1.095 -6.822 7.165 . . . 1.0 . . . . . . . . . . . . A . 29 MET SD . . . . . . . . . rr_1wz5 1 . 1 . 433 . 1 1 30 CYS C C 2.081 -2.859 1.789 . . . 1.0 . . . . . . . . . . . . A . 30 CYS C . . . . . . . . . rr_1wz5 1 . 1 . 434 . 1 1 30 CYS CA C 0.808 -3.698 1.714 . . . 1.0 . . . . . . . . . . . . A . 30 CYS CA . . . . . . . . . rr_1wz5 1 . 1 . 435 . 1 1 30 CYS CB C -0.405 -2.843 2.089 . . . 1.0 . . . . . . . . . . . . A . 30 CYS CB . . . . . . . . . rr_1wz5 1 . 1 . 436 . 1 1 30 CYS H H 0.454 -4.820 3.472 . . . 1.0 . . . . . . . . . . . . A . 30 CYS H . . . . . . . . . rr_1wz5 1 . 1 . 437 . 1 1 30 CYS HA H 0.687 -4.061 0.703 . . . 1.0 . . . . . . . . . . . . A . 30 CYS HA . . . . . . . . . rr_1wz5 1 . 1 . 438 . 1 1 30 CYS HB2 H -0.954 -3.337 2.877 . . . 1.0 . . . . . . . . . . . . A . 30 CYS HB2 . . . . . . . . . rr_1wz5 1 . 1 . 439 . 1 1 30 CYS HB3 H -0.064 -1.881 2.445 . . . 1.0 . . . . . . . . . . . . A . 30 CYS HB3 . . . . . . . . . rr_1wz5 1 . 1 . 440 . 1 1 30 CYS N N 0.900 -4.852 2.600 . . . 1.0 . . . . . . . . . . . . A . 30 CYS N . . . . . . . . . rr_1wz5 1 . 1 . 441 . 1 1 30 CYS O O 2.837 -2.945 2.757 . . . 1.0 . . . . . . . . . . . . A . 30 CYS O . . . . . . . . . rr_1wz5 1 . 1 . 442 . 1 1 30 CYS SG S -1.564 -2.545 0.715 . . . 1.0 . . . . . . . . . . . . A . 30 CYS SG . . . . . . . . . rr_1wz5 1 . 1 . 443 . 1 1 31 LYS C C 3.205 0.013 -0.199 . . . 1.0 . . . . . . . . . . . . A . 31 LYS C . . . . . . . . . rr_1wz5 1 . 1 . 444 . 1 1 31 LYS CA C 3.480 -1.183 0.702 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CA . . . . . . . . . rr_1wz5 1 . 1 . 445 . 1 1 31 LYS CB C 4.701 -1.953 0.185 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CB . . . . . . . . . rr_1wz5 1 . 1 . 446 . 1 1 31 LYS CD C 6.066 -4.069 0.227 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CD . . . . . . . . . rr_1wz5 1 . 1 . 447 . 1 1 31 LYS CE C 6.258 -4.018 -1.282 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CE . . . . . . . . . rr_1wz5 1 . 1 . 448 . 1 1 31 LYS CG C 4.766 -3.400 0.652 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CG . . . . . . . . . rr_1wz5 1 . 1 . 449 . 1 1 31 LYS H H 1.660 -2.019 0.027 . . . 1.0 . . . . . . . . . . . . A . 31 LYS H . . . . . . . . . rr_1wz5 1 . 1 . 450 . 1 1 31 LYS HA H 3.686 -0.824 1.699 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HA . . . . . . . . . rr_1wz5 1 . 1 . 451 . 1 1 31 LYS HB2 H 4.682 -1.949 -0.893 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB2 . . . . . . . . . rr_1wz5 1 . 1 . 452 . 1 1 31 LYS HB3 H 5.596 -1.450 0.520 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB3 . . . . . . . . . rr_1wz5 1 . 1 . 453 . 1 1 31 LYS HD2 H 6.892 -3.561 0.701 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD2 . . . . . . . . . rr_1wz5 1 . 1 . 454 . 1 1 31 LYS HD3 H 6.046 -5.102 0.543 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD3 . . . . . . . . . rr_1wz5 1 . 1 . 455 . 1 1 31 LYS HE2 H 5.309 -3.795 -1.746 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE2 . . . . . . . . . rr_1wz5 1 . 1 . 456 . 1 1 31 LYS HE3 H 6.964 -3.234 -1.515 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE3 . . . . . . . . . rr_1wz5 1 . 1 . 457 . 1 1 31 LYS HG2 H 4.700 -3.423 1.728 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG2 . . . . . . . . . rr_1wz5 1 . 1 . 458 . 1 1 31 LYS HG3 H 3.936 -3.943 0.226 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG3 . . . . . . . . . rr_1wz5 1 . 1 . 459 . 1 1 31 LYS HZ1 H 7.699 -5.166 -2.267 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ1 . . . . . . . . . rr_1wz5 1 . 1 . 460 . 1 1 31 LYS HZ2 H 6.112 -5.682 -2.537 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ2 . . . . . . . . . rr_1wz5 1 . 1 . 461 . 1 1 31 LYS HZ3 H 6.866 -6.006 -1.058 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ3 . . . . . . . . . rr_1wz5 1 . 1 . 462 . 1 1 31 LYS N N 2.306 -2.046 0.763 . . . 1.0 . . . . . . . . . . . . A . 31 LYS N . . . . . . . . . rr_1wz5 1 . 1 . 463 . 1 1 31 LYS NZ N 6.769 -5.308 -1.823 . . . 1.0 . . . . . . . . . . . . A . 31 LYS NZ . . . . . . . . . rr_1wz5 1 . 1 . 464 . 1 1 31 LYS O O 2.225 0.032 -0.941 . . . 1.0 . . . . . . . . . . . . A . 31 LYS O . . . . . . . . . rr_1wz5 1 . 1 . 465 . 1 1 32 CYS C C 5.248 2.777 -1.349 . . . 1.0 . . . . . . . . . . . . A . 32 CYS C . . . . . . . . . rr_1wz5 1 . 1 . 466 . 1 1 32 CYS CA C 3.891 2.213 -0.918 . . . 1.0 . . . . . . . . . . . . A . 32 CYS CA . . . . . . . . . rr_1wz5 1 . 1 . 467 . 1 1 32 CYS CB C 3.101 3.231 -0.108 . . . 1.0 . . . . . . . . . . . . A . 32 CYS CB . . . . . . . . . rr_1wz5 1 . 1 . 468 . 1 1 32 CYS H H 4.813 0.965 0.499 . . . 1.0 . . . . . . . . . . . . A . 32 CYS H . . . . . . . . . rr_1wz5 1 . 1 . 469 . 1 1 32 CYS HA H 3.321 1.949 -1.801 . . . 1.0 . . . . . . . . . . . . A . 32 CYS HA . . . . . . . . . rr_1wz5 1 . 1 . 470 . 1 1 32 CYS HB2 H 3.106 2.932 0.930 . . . 1.0 . . . . . . . . . . . . A . 32 CYS HB2 . . . . . . . . . rr_1wz5 1 . 1 . 471 . 1 1 32 CYS HB3 H 3.568 4.189 -0.199 . . . 1.0 . . . . . . . . . . . . A . 32 CYS HB3 . . . . . . . . . rr_1wz5 1 . 1 . 472 . 1 1 32 CYS N N 4.061 1.018 -0.120 . . . 1.0 . . . . . . . . . . . . A . 32 CYS N . . . . . . . . . rr_1wz5 1 . 1 . 473 . 1 1 32 CYS O O 6.274 2.473 -0.741 . . . 1.0 . . . . . . . . . . . . A . 32 CYS O . . . . . . . . . rr_1wz5 1 . 1 . 474 . 1 1 32 CYS SG S 1.362 3.386 -0.629 . . . 1.0 . . . . . . . . . . . . A . 32 CYS SG . . . . . . . . . rr_1wz5 1 . 1 . 475 . 1 1 33 TYR C C 7.606 3.192 -3.000 . . . 1.0 . . . . . . . . . . . . A . 33 TYR C . . . . . . . . . rr_1wz5 1 . 1 . 476 . 1 1 33 TYR CA C 6.465 4.201 -2.926 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CA . . . . . . . . . rr_1wz5 1 . 1 . 477 . 1 1 33 TYR CB C 6.865 5.394 -2.069 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CB . . . . . . . . . rr_1wz5 1 . 1 . 478 . 1 1 33 TYR CD1 C 8.081 6.980 -3.611 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CD1 . . . . . . . . . rr_1wz5 1 . 1 . 479 . 1 1 33 TYR CD2 C 9.343 5.869 -1.921 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CD2 . . . . . . . . . rr_1wz5 1 . 1 . 480 . 1 1 33 TYR CE1 C 9.223 7.623 -4.049 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CE1 . . . . . . . . . rr_1wz5 1 . 1 . 481 . 1 1 33 TYR CE2 C 10.490 6.508 -2.353 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CE2 . . . . . . . . . rr_1wz5 1 . 1 . 482 . 1 1 33 TYR CG C 8.120 6.094 -2.542 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CG . . . . . . . . . rr_1wz5 1 . 1 . 483 . 1 1 33 TYR CZ C 10.425 7.383 -3.417 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CZ . . . . . . . . . rr_1wz5 1 . 1 . 484 . 1 1 33 TYR H H 4.401 3.801 -2.840 . . . 1.0 . . . . . . . . . . . . A . 33 TYR H . . . . . . . . . rr_1wz5 1 . 1 . 485 . 1 1 33 TYR HA H 6.252 4.550 -3.925 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HA . . . . . . . . . rr_1wz5 1 . 1 . 486 . 1 1 33 TYR HB2 H 6.062 6.111 -2.084 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HB2 . . . . . . . . . rr_1wz5 1 . 1 . 487 . 1 1 33 TYR HB3 H 7.026 5.061 -1.056 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HB3 . . . . . . . . . rr_1wz5 1 . 1 . 488 . 1 1 33 TYR HD1 H 7.138 7.166 -4.104 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HD1 . . . . . . . . . rr_1wz5 1 . 1 . 489 . 1 1 33 TYR HD2 H 9.391 5.183 -1.089 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HD2 . . . . . . . . . rr_1wz5 1 . 1 . 490 . 1 1 33 TYR HE1 H 9.171 8.308 -4.882 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HE1 . . . . . . . . . rr_1wz5 1 . 1 . 491 . 1 1 33 TYR HE2 H 11.431 6.321 -1.858 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HE2 . . . . . . . . . rr_1wz5 1 . 1 . 492 . 1 1 33 TYR HH H 11.560 8.071 -4.808 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HH . . . . . . . . . rr_1wz5 1 . 1 . 493 . 1 1 33 TYR N N 5.245 3.595 -2.402 . . . 1.0 . . . . . . . . . . . . A . 33 TYR N . . . . . . . . . rr_1wz5 1 . 1 . 494 . 1 1 33 TYR O O 8.569 3.264 -2.235 . . . 1.0 . . . . . . . . . . . . A . 33 TYR O . . . . . . . . . rr_1wz5 1 . 1 . 495 . 1 1 33 TYR OH O 11.565 8.022 -3.850 . . . 1.0 . . . . . . . . . . . . A . 33 TYR OH . . . . . . . . . rr_1wz5 1 . 1 . 496 . 1 1 34 GLY C C 8.899 1.049 -5.555 . . . 1.0 . . . . . . . . . . . . A . 34 GLY C . . . . . . . . . rr_1wz5 1 . 1 . 497 . 1 1 34 GLY CA C 8.513 1.243 -4.101 . . . 1.0 . . . . . . . . . . . . A . 34 GLY CA . . . . . . . . . rr_1wz5 1 . 1 . 498 . 1 1 34 GLY H H 6.697 2.254 -4.510 . . . 1.0 . . . . . . . . . . . . A . 34 GLY H . . . . . . . . . rr_1wz5 1 . 1 . 499 . 1 1 34 GLY HA2 H 9.391 1.537 -3.544 . . . 1.0 . . . . . . . . . . . . A . 34 GLY HA2 . . . . . . . . . rr_1wz5 1 . 1 . 500 . 1 1 34 GLY HA3 H 8.148 0.306 -3.709 . . . 1.0 . . . . . . . . . . . . A . 34 GLY HA3 . . . . . . . . . rr_1wz5 1 . 1 . 501 . 1 1 34 GLY N N 7.489 2.255 -3.931 . . . 1.0 . . . . . . . . . . . . A . 34 GLY N . . . . . . . . . rr_1wz5 1 . 1 . 502 . 1 1 34 GLY O O 9.303 -0.042 -5.957 . . . 1.0 . . . . . . . . . . . . A . 34 GLY O . . . . . . . . . rr_1wz5 1 . 1 . 503 . 1 1 35 ABA C C 9.920 3.280 -8.176 . . . 1.0 . . . . . . . . . . . . A . 35 ABA C . . . . . . . . . rr_1wz5 1 . 1 . 504 . 1 1 35 ABA CA C 9.110 2.056 -7.762 . . . 1.0 . . . . . . . . . . . . A . 35 ABA CA . . . . . . . . . rr_1wz5 1 . 1 . 505 . 1 1 35 ABA CB C 7.836 1.959 -8.606 . . . 1.0 . . . . . . . . . . . . A . 35 ABA CB . . . . . . . . . rr_1wz5 1 . 1 . 506 . 1 1 35 ABA CG C 7.494 0.300 -9.237 . . . 1.0 . . . . . . . . . . . . A . 35 ABA CG . . . . . . . . . rr_1wz5 1 . 1 . 507 . 1 1 35 ABA H H 8.445 2.953 -5.963 . . . 1.0 . . . . . . . . . . . . A . 35 ABA H . . . . . . . . . rr_1wz5 1 . 1 . 508 . 1 1 35 ABA HA H 9.707 1.171 -7.926 . . . 1.0 . . . . . . . . . . . . A . 35 ABA HA . . . . . . . . . rr_1wz5 1 . 1 . 509 . 1 1 35 ABA HB2 H 7.924 2.622 -9.455 . . . 1.0 . . . . . . . . . . . . A . 35 ABA HB2 . . . . . . . . . rr_1wz5 1 . 1 . 510 . 1 1 35 ABA HB3 H 6.991 2.262 -8.006 . . . 1.0 . . . . . . . . . . . . A . 35 ABA HB3 . . . . . . . . . rr_1wz5 1 . 1 . 511 . 1 1 35 ABA HG1 H 6.557 0.247 -9.438 . . . 1.0 . . . . . . . . . . . . A . 35 ABA HG1 . . . . . . . . . rr_1wz5 1 . 1 . 512 . 1 1 35 ABA HG2 H 6.557 0.447 -9.838 . . . 1.0 . . . . . . . . . . . . A . 35 ABA HG2 . . . . . . . . . rr_1wz5 1 . 1 . 513 . 1 1 35 ABA HG3 H 6.957 0.247 -9.838 . . . 1.0 . . . . . . . . . . . . A . 35 ABA HG3 . . . . . . . . . rr_1wz5 1 . 1 . 514 . 1 1 35 ABA N N 8.773 2.111 -6.344 . . . 1.0 . . . . . . . . . . . . A . 35 ABA N . . . . . . . . . rr_1wz5 1 . 1 . 515 . 1 1 35 ABA O O 9.537 4.403 -7.784 . . . 1.0 . . . . . . . . . . . . A . 35 ABA O . . . . . . . . . rr_1wz5 1 . 1 . 516 . 1 1 35 ABA OXT O 10.931 3.107 -8.889 . . . 1.0 . . . . . . . . . . . . A . 35 ABA OXT . . . . . . . . . rr_1wz5 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_1wz5 _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 1wz5.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1wz5 1 1 1wz5.mr . . XPLOR/CNS 2 distance NOE simple 242 rr_1wz5 1 1 1wz5.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1wz5 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID rr_1wz5 _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1wz5 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 1 1 LEU HA H . . . 1 1 1 1 LEU HG H . . . . . 3.0 1.8 3.0 . . . . . A . 1 LEU HA . . A . 1 LEU HG . . . 1 . HA . . . . . 1 . HG . . rr_1wz5 1 2 1 . . 1 1 1 1 LEU HA H . . . 1 1 2 2 VAL H H . . . . . 2.4 1.8 2.4 . . . . . A . 1 LEU HA . . A . 2 VAL H . . . 1 . HA . . . . . 2 . HN . . rr_1wz5 1 3 1 OR . 1 1 2 2 VAL H H . . . 1 1 1 1 LEU HB2 H . . . . . 4.9 1.8 4.9 . . . . . A . 2 VAL H . . A . 1 LEU HB2 . . . 2 . HN . . . . . 1 . HB* . . rr_1wz5 1 3 2 OR . 1 1 2 2 VAL H H . . . 1 1 1 1 LEU HB3 H . . . . . 4.9 1.8 4.9 . . . . . A . 2 VAL H . . A . 1 LEU HB3 . . . 2 . HN . . . . . 1 . HB* . . rr_1wz5 1 4 1 . . 1 1 1 1 LEU HG H . . . 1 1 2 2 VAL H H . . . . . 4.5 1.8 4.5 . . . . . A . 1 LEU HG . . A . 2 VAL H . . . 1 . HG . . . . . 2 . HN . . rr_1wz5 1 5 1 OR . 1 1 2 2 VAL H H . . . 1 1 1 1 LEU MD1 H . . . . . 8.4 1.8 8.4 . . . . . A . 2 VAL H . . A . 1 LEU MD1 . . . 2 . HN . . . . . 1 . HD* . . rr_1wz5 1 5 2 OR . 1 1 2 2 VAL H H . . . 1 1 1 1 LEU MD2 H . . . . . 8.4 1.8 8.4 . . . . . A . 2 VAL H . . A . 1 LEU MD2 . . . 2 . HN . . . . . 1 . HD* . . rr_1wz5 1 6 1 OR . 1 1 1 1 LEU MD1 H . . . 1 1 13 13 PRO HG3 H . . . . . 7.1 1.8 7.1 . . . . . A . 1 LEU MD1 . . A . 13 PRO HG3 . . . 1 . HD* . . . . . 13 . HG1 . . rr_1wz5 1 6 2 OR . 1 1 1 1 LEU MD2 H . . . 1 1 13 13 PRO HG3 H . . . . . 7.1 1.8 7.1 . . . . . A . 1 LEU MD2 . . A . 13 PRO HG3 . . . 1 . HD* . . . . . 13 . HG1 . . rr_1wz5 1 7 1 OR . 1 1 1 1 LEU MD2 H . . . 1 1 13 13 PRO HG2 H . . . . . 7.1 1.8 7.1 . . . . . A . 1 LEU MD2 . . A . 13 PRO HG2 . . . 1 . HD* . . . . . 13 . HG2 . . rr_1wz5 1 7 2 OR . 1 1 13 13 PRO HG2 H . . . 1 1 1 1 LEU MD1 H . . . . . 7.1 1.8 7.1 . . . . . A . 13 PRO HG2 . . A . 1 LEU MD1 . . . 13 . HG2 . . . . . 1 . HD* . . rr_1wz5 1 8 1 OR . 1 1 1 1 LEU MD1 H . . . 1 1 13 13 PRO HG3 H . . . . . 6.5 1.8 6.5 . . . . . A . 1 LEU MD1 . . A . 13 PRO HG3 . . . 1 . HD* . . . . . 13 . HG* . . rr_1wz5 1 8 2 OR . 1 1 1 1 LEU MD2 H . . . 1 1 13 13 PRO HG3 H . . . . . 6.5 1.8 6.5 . . . . . A . 1 LEU MD2 . . A . 13 PRO HG3 . . . 1 . HD* . . . . . 13 . HG* . . rr_1wz5 1 8 3 OR . 1 1 13 13 PRO HG2 H . . . 1 1 1 1 LEU MD1 H . . . . . 6.5 1.8 6.5 . . . . . A . 13 PRO HG2 . . A . 1 LEU MD1 . . . 13 . HG* . . . . . 1 . HD* . . rr_1wz5 1 8 4 OR . 1 1 1 1 LEU MD2 H . . . 1 1 13 13 PRO HG2 H . . . . . 6.5 1.8 6.5 . . . . . A . 1 LEU MD2 . . A . 13 PRO HG2 . . . 1 . HD* . . . . . 13 . HG* . . rr_1wz5 1 9 1 . . 1 1 2 2 VAL H H . . . 1 1 2 2 VAL HB H . . . . . 2.9 1.8 2.9 . . . . . A . 2 VAL H . . A . 2 VAL HB . . . 2 . HN . . . . . 2 . HB . . rr_1wz5 1 10 1 . . 1 1 2 2 VAL H H . . . 1 1 3 3 LYS H H . . . . . 4.4 1.8 4.4 . . . . . A . 2 VAL H . . A . 3 LYS H . . . 2 . HN . . . . . 3 . HN . . rr_1wz5 1 11 1 . . 1 1 3 3 LYS H H . . . 1 1 2 2 VAL HA H . . . . . 2.4 1.8 2.4 . . . . . A . 3 LYS H . . A . 2 VAL HA . . . 3 . HN . . . . . 2 . HA . . rr_1wz5 1 12 1 OR . 1 1 3 3 LYS H H . . . 1 1 2 2 VAL MG1 H . . . . . 7.5 1.8 7.5 . . . . . A . 3 LYS H . . A . 2 VAL MG1 . . . 3 . HN . . . . . 2 . HG* . . rr_1wz5 1 12 2 OR . 1 1 3 3 LYS H H . . . 1 1 2 2 VAL MG2 H . . . . . 7.5 1.8 7.5 . . . . . A . 3 LYS H . . A . 2 VAL MG2 . . . 3 . HN . . . . . 2 . HG* . . rr_1wz5 1 13 1 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HB2 H . . . . . 3.9 1.8 3.9 . . . . . A . 3 LYS H . . A . 3 LYS HB2 . . . 3 . HN . . . . . 3 . HB* . . rr_1wz5 1 13 2 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HB3 H . . . . . 3.9 1.8 3.9 . . . . . A . 3 LYS H . . A . 3 LYS HB3 . . . 3 . HN . . . . . 3 . HB* . . rr_1wz5 1 14 1 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HG2 H . . . . . 5.9 1.8 5.9 . . . . . A . 3 LYS H . . A . 3 LYS HG2 . . . 3 . HN . . . . . 3 . HG* . . rr_1wz5 1 14 2 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HG3 H . . . . . 5.9 1.8 5.9 . . . . . A . 3 LYS H . . A . 3 LYS HG3 . . . 3 . HN . . . . . 3 . HG* . . rr_1wz5 1 15 1 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HD2 H . . . . . 5.7 1.8 5.7 . . . . . A . 3 LYS H . . A . 3 LYS HD2 . . . 3 . HN . . . . . 3 . HD* . . rr_1wz5 1 15 2 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HD3 H . . . . . 5.7 1.8 5.7 . . . . . A . 3 LYS H . . A . 3 LYS HD3 . . . 3 . HN . . . . . 3 . HD* . . rr_1wz5 1 16 1 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HE2 H . . . . . 7.0 1.8 7.0 . . . . . A . 3 LYS H . . A . 3 LYS HE2 . . . 3 . HN . . . . . 3 . HE* . . rr_1wz5 1 16 2 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HE3 H . . . . . 7.0 1.8 7.0 . . . . . A . 3 LYS H . . A . 3 LYS HE3 . . . 3 . HN . . . . . 3 . HE* . . rr_1wz5 1 17 1 OR . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HD2 H . . . . . 7.0 1.8 7.0 . . . . . A . 3 LYS HA . . A . 3 LYS HD2 . . . 3 . HA . . . . . 3 . HD* . . rr_1wz5 1 17 2 OR . 1 1 3 3 LYS HD3 H . . . 1 1 3 3 LYS HA H . . . . . 7.0 1.8 7.0 . . . . . A . 3 LYS HD3 . . A . 3 LYS HA . . . 3 . HD* . . . . . 3 . HA . . rr_1wz5 1 18 1 OR . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HE2 H . . . . . 6.3 1.8 6.3 . . . . . A . 3 LYS HA . . A . 3 LYS HE2 . . . 3 . HA . . . . . 3 . HE* . . rr_1wz5 1 18 2 OR . 1 1 3 3 LYS HE3 H . . . 1 1 3 3 LYS HA H . . . . . 6.3 1.8 6.3 . . . . . A . 3 LYS HE3 . . A . 3 LYS HA . . . 3 . HE* . . . . . 3 . HA . . rr_1wz5 1 19 1 OR . 1 1 3 3 LYS NZ N . . . 1 1 3 3 LYS HB2 H . . . . . 7.0 1.8 7.0 . . . . . A . 3 LYS NZ . . A . 3 LYS HB2 . . . 3 . NZ . . . . . 3 . HB* . . rr_1wz5 1 19 2 OR . 1 1 3 3 LYS HB3 H . . . 1 1 3 3 LYS NZ N . . . . . 7.0 1.8 7.0 . . . . . A . 3 LYS HB3 . . A . 3 LYS NZ . . . 3 . HB* . . . . . 3 . NZ . . rr_1wz5 1 20 1 OR . 1 1 4 4 CYS H H . . . 1 1 3 3 LYS HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 4 CYS H . . A . 3 LYS HB2 . . . 4 . HN . . . . . 3 . HB* . . rr_1wz5 1 20 2 OR . 1 1 3 3 LYS HB3 H . . . 1 1 4 4 CYS H H . . . . . 5.0 1.8 5.0 . . . . . A . 3 LYS HB3 . . A . 4 CYS H . . . 3 . HB* . . . . . 4 . HN . . rr_1wz5 1 21 1 OR . 1 1 4 4 CYS H H . . . 1 1 3 3 LYS HG2 H . . . . . 5.8 1.8 5.8 . . . . . A . 4 CYS H . . A . 3 LYS HG2 . . . 4 . HN . . . . . 3 . HG* . . rr_1wz5 1 21 2 OR . 1 1 3 3 LYS HG3 H . . . 1 1 4 4 CYS H H . . . . . 5.8 1.8 5.8 . . . . . A . 3 LYS HG3 . . A . 4 CYS H . . . 3 . HG* . . . . . 4 . HN . . rr_1wz5 1 22 1 OR . 1 1 4 4 CYS H H . . . 1 1 3 3 LYS HD2 H . . . . . 7.0 1.8 7.0 . . . . . A . 4 CYS H . . A . 3 LYS HD2 . . . 4 . HN . . . . . 3 . HD* . . rr_1wz5 1 22 2 OR . 1 1 3 3 LYS HD3 H . . . 1 1 4 4 CYS H H . . . . . 7.0 1.8 7.0 . . . . . A . 3 LYS HD3 . . A . 4 CYS H . . . 3 . HD* . . . . . 4 . HN . . rr_1wz5 1 23 1 . . 1 1 4 4 CYS H H . . . 1 1 4 4 CYS HB3 H . . . . . 3.4 1.8 3.4 . . . . . A . 4 CYS H . . A . 4 CYS HB3 . . . 4 . HN . . . . . 4 . HB1 . . rr_1wz5 1 24 1 . . 1 1 4 4 CYS H H . . . 1 1 4 4 CYS HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 4 CYS H . . A . 4 CYS HB2 . . . 4 . HN . . . . . 4 . HB2 . . rr_1wz5 1 25 1 OR . 1 1 4 4 CYS H H . . . 1 1 4 4 CYS HB2 H . . . . . 3.1 1.8 3.1 . . . . . A . 4 CYS H . . A . 4 CYS HB2 . . . 4 . HN . . . . . 4 . HB* . . rr_1wz5 1 25 2 OR . 1 1 4 4 CYS H H . . . 1 1 4 4 CYS HB3 H . . . . . 3.1 1.8 3.1 . . . . . A . 4 CYS H . . A . 4 CYS HB3 . . . 4 . HN . . . . . 4 . HB* . . rr_1wz5 1 26 1 . . 1 1 4 4 CYS HB3 H . . . 1 1 4 4 CYS HA H . . . . . 2.9 1.8 2.9 . . . . . A . 4 CYS HB3 . . A . 4 CYS HA . . . 4 . HB1 . . . . . 4 . HA . . rr_1wz5 1 27 1 . . 1 1 4 4 CYS HA H . . . 1 1 4 4 CYS HB2 H . . . . . 2.9 1.8 2.9 . . . . . A . 4 CYS HA . . A . 4 CYS HB2 . . . 4 . HA . . . . . 4 . HB2 . . rr_1wz5 1 28 1 OR . 1 1 4 4 CYS HA H . . . 1 1 4 4 CYS HB2 H . . . . . 2.6 1.8 2.6 . . . . . A . 4 CYS HA . . A . 4 CYS HB2 . . . 4 . HA . . . . . 4 . HB* . . rr_1wz5 1 28 2 OR . 1 1 4 4 CYS HB3 H . . . 1 1 4 4 CYS HA H . . . . . 2.6 1.8 2.6 . . . . . A . 4 CYS HB3 . . A . 4 CYS HA . . . 4 . HB* . . . . . 4 . HA . . rr_1wz5 1 29 1 . . 1 1 4 4 CYS CB C . . . 1 1 25 25 CYS SG S . . . . . 3.1 1.8 3.1 . . . . . A . 4 CYS CB . . A . 25 CYS SG . . . 4 . CB . . . . . 25 . SG . . rr_1wz5 1 30 1 . . 1 1 4 4 CYS HB3 H . . . 1 1 5 5 ARG H H . . . . . 4.1 1.8 4.1 . . . . . A . 4 CYS HB3 . . A . 5 ARG H . . . 4 . HB1 . . . . . 5 . HN . . rr_1wz5 1 31 1 . . 1 1 5 5 ARG H H . . . 1 1 4 4 CYS HB2 H . . . . . 4.1 1.8 4.1 . . . . . A . 5 ARG H . . A . 4 CYS HB2 . . . 5 . HN . . . . . 4 . HB2 . . rr_1wz5 1 32 1 OR . 1 1 5 5 ARG H H . . . 1 1 4 4 CYS HB2 H . . . . . 3.8 1.8 3.8 . . . . . A . 5 ARG H . . A . 4 CYS HB2 . . . 5 . HN . . . . . 4 . HB* . . rr_1wz5 1 32 2 OR . 1 1 4 4 CYS HB3 H . . . 1 1 5 5 ARG H H . . . . . 3.8 1.8 3.8 . . . . . A . 4 CYS HB3 . . A . 5 ARG H . . . 4 . HB* . . . . . 5 . HN . . rr_1wz5 1 33 1 OR . 1 1 6 6 GLY H H . . . 1 1 4 4 CYS HB2 H . . . . . 4.1 1.8 4.1 . . . . . A . 6 GLY H . . A . 4 CYS HB2 . . . 6 . HN . . . . . 4 . HB* . . rr_1wz5 1 33 2 OR . 1 1 4 4 CYS HB3 H . . . 1 1 6 6 GLY H H . . . . . 4.1 1.8 4.1 . . . . . A . 4 CYS HB3 . . A . 6 GLY H . . . 4 . HB* . . . . . 6 . HN . . rr_1wz5 1 34 1 OR . 1 1 4 4 CYS HB3 H . . . 1 1 25 25 CYS HB2 H . . . . . 7.0 1.8 7.0 . . . . . A . 4 CYS HB3 . . A . 25 CYS HB2 . . . 4 . HB* . . . . . 25 . HB* . . rr_1wz5 1 34 2 OR . 1 1 4 4 CYS HB2 H . . . 1 1 25 25 CYS HB2 H . . . . . 7.0 1.8 7.0 . . . . . A . 4 CYS HB2 . . A . 25 CYS HB2 . . . 4 . HB* . . . . . 25 . HB* . . rr_1wz5 1 34 3 OR . 1 1 25 25 CYS HB3 H . . . 1 1 4 4 CYS HB2 H . . . . . 7.0 1.8 7.0 . . . . . A . 25 CYS HB3 . . A . 4 CYS HB2 . . . 25 . HB* . . . . . 4 . HB* . . rr_1wz5 1 34 4 OR . 1 1 4 4 CYS HB3 H . . . 1 1 25 25 CYS HB3 H . . . . . 7.0 1.8 7.0 . . . . . A . 4 CYS HB3 . . A . 25 CYS HB3 . . . 4 . HB* . . . . . 25 . HB* . . rr_1wz5 1 35 1 . . 1 1 4 4 CYS SG S . . . 1 1 25 25 CYS CB C . . . . . 3.1 1.8 3.1 . . . . . A . 4 CYS SG . . A . 25 CYS CB . . . 4 . SG . . . . . 25 . CB . . rr_1wz5 1 36 1 . . 1 1 25 25 CYS SG S . . . 1 1 4 4 CYS SG S . . . . . 2.1 1.8 2.1 . . . . . A . 25 CYS SG . . A . 4 CYS SG . . . 25 . SG . . . . . 4 . SG . . rr_1wz5 1 37 1 . . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HB3 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 ARG H . . A . 5 ARG HB3 . . . 5 . HN . . . . . 5 . HB1 . . rr_1wz5 1 38 1 . . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 ARG H . . A . 5 ARG HB2 . . . 5 . HN . . . . . 5 . HB2 . . rr_1wz5 1 39 1 OR . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HB3 H . . . . . 3.0 1.8 3.0 . . . . . A . 5 ARG H . . A . 5 ARG HB3 . . . 5 . HN . . . . . 5 . HB* . . rr_1wz5 1 39 2 OR . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HB2 H . . . . . 3.0 1.8 3.0 . . . . . A . 5 ARG H . . A . 5 ARG HB2 . . . 5 . HN . . . . . 5 . HB* . . rr_1wz5 1 40 1 OR . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HG2 H . . . . . 4.8 1.8 4.8 . . . . . A . 5 ARG H . . A . 5 ARG HG2 . . . 5 . HN . . . . . 5 . HG* . . rr_1wz5 1 40 2 OR . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HG3 H . . . . . 4.8 1.8 4.8 . . . . . A . 5 ARG H . . A . 5 ARG HG3 . . . 5 . HN . . . . . 5 . HG* . . rr_1wz5 1 41 1 OR . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HD2 H . . . . . 7.0 1.8 7.0 . . . . . A . 5 ARG H . . A . 5 ARG HD2 . . . 5 . HN . . . . . 5 . HD* . . rr_1wz5 1 41 2 OR . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HD3 H . . . . . 7.0 1.8 7.0 . . . . . A . 5 ARG H . . A . 5 ARG HD3 . . . 5 . HN . . . . . 5 . HD* . . rr_1wz5 1 42 1 . . 1 1 5 5 ARG H H . . . 1 1 6 6 GLY H H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ARG H . . A . 6 GLY H . . . 5 . HN . . . . . 6 . HN . . rr_1wz5 1 43 1 . . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HB3 H . . . . . 2.9 1.8 2.9 . . . . . A . 5 ARG HA . . A . 5 ARG HB3 . . . 5 . HA . . . . . 5 . HB1 . . rr_1wz5 1 44 1 . . 1 1 5 5 ARG HB2 H . . . 1 1 5 5 ARG HA H . . . . . 2.9 1.8 2.9 . . . . . A . 5 ARG HB2 . . A . 5 ARG HA . . . 5 . HB2 . . . . . 5 . HA . . rr_1wz5 1 45 1 OR . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HB3 H . . . . . 2.6 1.8 2.6 . . . . . A . 5 ARG HA . . A . 5 ARG HB3 . . . 5 . HA . . . . . 5 . HB* . . rr_1wz5 1 45 2 OR . 1 1 5 5 ARG HB2 H . . . 1 1 5 5 ARG HA H . . . . . 2.6 1.8 2.6 . . . . . A . 5 ARG HB2 . . A . 5 ARG HA . . . 5 . HB* . . . . . 5 . HA . . rr_1wz5 1 46 1 . . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG NE N . . . . . 6.0 1.8 6.0 . . . . . A . 5 ARG HA . . A . 5 ARG NE . . . 5 . HA . . . . . 5 . NE . . rr_1wz5 1 47 1 . . 1 1 5 5 ARG NE N . . . 1 1 5 5 ARG HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 5 ARG NE . . A . 5 ARG HB3 . . . 5 . NE . . . . . 5 . HB1 . . rr_1wz5 1 48 1 . . 1 1 6 6 GLY H H . . . 1 1 5 5 ARG HB3 H . . . . . 4.1 1.8 4.1 . . . . . A . 6 GLY H . . A . 5 ARG HB3 . . . 6 . HN . . . . . 5 . HB1 . . rr_1wz5 1 49 1 . . 1 1 5 5 ARG HB2 H . . . 1 1 5 5 ARG NE N . . . . . 4.5 1.8 4.5 . . . . . A . 5 ARG HB2 . . A . 5 ARG NE . . . 5 . HB2 . . . . . 5 . NE . . rr_1wz5 1 50 1 . . 1 1 6 6 GLY H H . . . 1 1 5 5 ARG HB2 H . . . . . 4.1 1.8 4.1 . . . . . A . 6 GLY H . . A . 5 ARG HB2 . . . 6 . HN . . . . . 5 . HB2 . . rr_1wz5 1 51 1 OR . 1 1 5 5 ARG NE N . . . 1 1 5 5 ARG HB3 H . . . . . 4.3 1.8 4.3 . . . . . A . 5 ARG NE . . A . 5 ARG HB3 . . . 5 . NE . . . . . 5 . HB* . . rr_1wz5 1 51 2 OR . 1 1 5 5 ARG HB2 H . . . 1 1 5 5 ARG NE N . . . . . 4.3 1.8 4.3 . . . . . A . 5 ARG HB2 . . A . 5 ARG NE . . . 5 . HB* . . . . . 5 . NE . . rr_1wz5 1 52 1 OR . 1 1 6 6 GLY H H . . . 1 1 5 5 ARG HB3 H . . . . . 3.8 1.8 3.8 . . . . . A . 6 GLY H . . A . 5 ARG HB3 . . . 6 . HN . . . . . 5 . HB* . . rr_1wz5 1 52 2 OR . 1 1 6 6 GLY H H . . . 1 1 5 5 ARG HB2 H . . . . . 3.8 1.8 3.8 . . . . . A . 6 GLY H . . A . 5 ARG HB2 . . . 6 . HN . . . . . 5 . HB* . . rr_1wz5 1 53 1 OR . 1 1 6 6 GLY H H . . . 1 1 5 5 ARG HG2 H . . . . . 7.0 1.8 7.0 . . . . . A . 6 GLY H . . A . 5 ARG HG2 . . . 6 . HN . . . . . 5 . HG* . . rr_1wz5 1 53 2 OR . 1 1 6 6 GLY H H . . . 1 1 5 5 ARG HG3 H . . . . . 7.0 1.8 7.0 . . . . . A . 6 GLY H . . A . 5 ARG HG3 . . . 6 . HN . . . . . 5 . HG* . . rr_1wz5 1 54 1 . . 1 1 7 7 THR H H . . . 1 1 6 6 GLY HA3 H . . . . . 3.4 1.8 3.4 . . . . . A . 7 THR H . . A . 6 GLY HA3 . . . 7 . HN . . . . . 6 . HA1 . . rr_1wz5 1 55 1 . . 1 1 7 7 THR H H . . . 1 1 6 6 GLY HA2 H . . . . . 3.4 1.8 3.4 . . . . . A . 7 THR H . . A . 6 GLY HA2 . . . 7 . HN . . . . . 6 . HA2 . . rr_1wz5 1 56 1 OR . 1 1 7 7 THR H H . . . 1 1 6 6 GLY HA3 H . . . . . 3.2 1.8 3.2 . . . . . A . 7 THR H . . A . 6 GLY HA3 . . . 7 . HN . . . . . 6 . HA* . . rr_1wz5 1 56 2 OR . 1 1 7 7 THR H H . . . 1 1 6 6 GLY HA2 H . . . . . 3.2 1.8 3.2 . . . . . A . 7 THR H . . A . 6 GLY HA2 . . . 7 . HN . . . . . 6 . HA* . . rr_1wz5 1 57 1 . . 1 1 7 7 THR H H . . . 1 1 7 7 THR HA H . . . . . 2.8 1.8 2.8 . . . . . A . 7 THR H . . A . 7 THR HA . . . 7 . HN . . . . . 7 . HA . . rr_1wz5 1 58 1 . . 1 1 7 7 THR H H . . . 1 1 7 7 THR HB H . . . . . 2.9 1.8 2.9 . . . . . A . 7 THR H . . A . 7 THR HB . . . 7 . HN . . . . . 7 . HB . . rr_1wz5 1 59 1 OR . 1 1 7 7 THR H H . . . 1 1 7 7 THR MG H . . . . . 4.9 1.8 4.9 . . . . . A . 7 THR H . . A . 7 THR MG . . . 7 . HN . . . . . 7 . HG* . . rr_1wz5 1 59 2 OR . 1 1 7 7 THR H H . . . 1 1 7 7 THR HG1 H . . . . . 4.9 1.8 4.9 . . . . . A . 7 THR H . . A . 7 THR HG1 . . . 7 . HN . . . . . 7 . HG* . . rr_1wz5 1 60 1 . . 1 1 7 7 THR H H . . . 1 1 8 8 SER H H . . . . . 2.8 1.8 2.8 . . . . . A . 7 THR H . . A . 8 SER H . . . 7 . HN . . . . . 8 . HN . . rr_1wz5 1 61 1 . . 1 1 7 7 THR HB H . . . 1 1 9 9 ASP H H . . . . . 4.2 1.8 4.2 . . . . . A . 7 THR HB . . A . 9 ASP H . . . 7 . HB . . . . . 9 . HN . . rr_1wz5 1 62 1 OR . 1 1 8 8 SER H H . . . 1 1 7 7 THR MG H . . . . . 7.0 1.8 7.0 . . . . . A . 8 SER H . . A . 7 THR MG . . . 8 . HN . . . . . 7 . HG* . . rr_1wz5 1 62 2 OR . 1 1 7 7 THR HG1 H . . . 1 1 8 8 SER H H . . . . . 7.0 1.8 7.0 . . . . . A . 7 THR HG1 . . A . 8 SER H . . . 7 . HG* . . . . . 8 . HN . . rr_1wz5 1 63 1 . . 1 1 8 8 SER H H . . . 1 1 8 8 SER HA H . . . . . 2.7 1.8 2.7 . . . . . A . 8 SER H . . A . 8 SER HA . . . 8 . HN . . . . . 8 . HA . . rr_1wz5 1 64 1 OR . 1 1 8 8 SER H H . . . 1 1 8 8 SER HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 8 SER H . . A . 8 SER HB2 . . . 8 . HN . . . . . 8 . HB* . . rr_1wz5 1 64 2 OR . 1 1 8 8 SER H H . . . 1 1 8 8 SER HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 8 SER H . . A . 8 SER HB3 . . . 8 . HN . . . . . 8 . HB* . . rr_1wz5 1 65 1 . . 1 1 8 8 SER H H . . . 1 1 9 9 ASP H H . . . . . 2.8 1.8 2.8 . . . . . A . 8 SER H . . A . 9 ASP H . . . 8 . HN . . . . . 9 . HN . . rr_1wz5 1 66 1 . . 1 1 9 9 ASP H H . . . 1 1 9 9 ASP HA H . . . . . 2.7 1.8 2.7 . . . . . A . 9 ASP H . . A . 9 ASP HA . . . 9 . HN . . . . . 9 . HA . . rr_1wz5 1 67 1 OR . 1 1 9 9 ASP H H . . . 1 1 9 9 ASP HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 9 ASP H . . A . 9 ASP HB2 . . . 9 . HN . . . . . 9 . HB* . . rr_1wz5 1 67 2 OR . 1 1 9 9 ASP H H . . . 1 1 9 9 ASP HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 9 ASP H . . A . 9 ASP HB3 . . . 9 . HN . . . . . 9 . HB* . . rr_1wz5 1 68 1 . . 1 1 9 9 ASP H H . . . 1 1 10 10 CYS H H . . . . . 2.8 1.8 2.8 . . . . . A . 9 ASP H . . A . 10 CYS H . . . 9 . HN . . . . . 10 . HN . . rr_1wz5 1 69 1 . . 1 1 9 9 ASP HA H . . . 1 1 12 12 ARG H H . . . . . 3.5 1.8 3.5 . . . . . A . 9 ASP HA . . A . 12 ARG H . . . 9 . HA . . . . . 12 . HN . . rr_1wz5 1 70 1 OR . 1 1 10 10 CYS H H . . . 1 1 9 9 ASP HB2 H . . . . . 4.2 1.8 4.2 . . . . . A . 10 CYS H . . A . 9 ASP HB2 . . . 10 . HN . . . . . 9 . HB* . . rr_1wz5 1 70 2 OR . 1 1 9 9 ASP HB3 H . . . 1 1 10 10 CYS H H . . . . . 4.2 1.8 4.2 . . . . . A . 9 ASP HB3 . . A . 10 CYS H . . . 9 . HB* . . . . . 10 . HN . . rr_1wz5 1 71 1 OR . 1 1 10 10 CYS H H . . . 1 1 10 10 CYS HB2 H . . . . . 3.6 1.8 3.6 . . . . . A . 10 CYS H . . A . 10 CYS HB2 . . . 10 . HN . . . . . 10 . HB* . . rr_1wz5 1 71 2 OR . 1 1 10 10 CYS H H . . . 1 1 10 10 CYS HB3 H . . . . . 3.6 1.8 3.6 . . . . . A . 10 CYS H . . A . 10 CYS HB3 . . . 10 . HN . . . . . 10 . HB* . . rr_1wz5 1 72 1 . . 1 1 10 10 CYS H H . . . 1 1 11 11 GLY H H . . . . . 2.8 1.8 2.8 . . . . . A . 10 CYS H . . A . 11 GLY H . . . 10 . HN . . . . . 11 . HN . . rr_1wz5 1 73 1 . . 1 1 10 10 CYS HA H . . . 1 1 14 14 CYS H H . . . . . 4.2 1.8 4.2 . . . . . A . 10 CYS HA . . A . 14 CYS H . . . 10 . HA . . . . . 14 . HN . . rr_1wz5 1 74 1 . . 1 1 10 10 CYS CB C . . . 1 1 30 30 CYS SG S . . . . . 3.1 1.8 3.1 . . . . . A . 10 CYS CB . . A . 30 CYS SG . . . 10 . CB . . . . . 30 . SG . . rr_1wz5 1 75 1 OR . 1 1 11 11 GLY H H . . . 1 1 10 10 CYS HB2 H . . . . . 4.5 1.8 4.5 . . . . . A . 11 GLY H . . A . 10 CYS HB2 . . . 11 . HN . . . . . 10 . HB* . . rr_1wz5 1 75 2 OR . 1 1 10 10 CYS HB3 H . . . 1 1 11 11 GLY H H . . . . . 4.5 1.8 4.5 . . . . . A . 10 CYS HB3 . . A . 11 GLY H . . . 10 . HB* . . . . . 11 . HN . . rr_1wz5 1 76 1 . . 1 1 10 10 CYS SG S . . . 1 1 30 30 CYS CB C . . . . . 3.1 1.8 3.1 . . . . . A . 10 CYS SG . . A . 30 CYS CB . . . 10 . SG . . . . . 30 . CB . . rr_1wz5 1 77 1 . . 1 1 30 30 CYS SG S . . . 1 1 10 10 CYS SG S . . . . . 2.1 1.8 2.1 . . . . . A . 30 CYS SG . . A . 10 CYS SG . . . 30 . SG . . . . . 10 . SG . . rr_1wz5 1 78 1 . . 1 1 11 11 GLY H H . . . 1 1 11 11 GLY HA3 H . . . . . 2.8 1.8 2.8 . . . . . A . 11 GLY H . . A . 11 GLY HA3 . . . 11 . HN . . . . . 11 . HA1 . . rr_1wz5 1 79 1 . . 1 1 11 11 GLY H H . . . 1 1 11 11 GLY HA2 H . . . . . 2.8 1.8 2.8 . . . . . A . 11 GLY H . . A . 11 GLY HA2 . . . 11 . HN . . . . . 11 . HA2 . . rr_1wz5 1 80 1 OR . 1 1 11 11 GLY H H . . . 1 1 11 11 GLY HA3 H . . . . . 2.6 1.8 2.6 . . . . . A . 11 GLY H . . A . 11 GLY HA3 . . . 11 . HN . . . . . 11 . HA* . . rr_1wz5 1 80 2 OR . 1 1 11 11 GLY H H . . . 1 1 11 11 GLY HA2 H . . . . . 2.6 1.8 2.6 . . . . . A . 11 GLY H . . A . 11 GLY HA2 . . . 11 . HN . . . . . 11 . HA* . . rr_1wz5 1 81 1 . . 1 1 12 12 ARG H H . . . 1 1 11 11 GLY H H . . . . . 2.8 1.8 2.8 . . . . . A . 12 ARG H . . A . 11 GLY H . . . 12 . HN . . . . . 11 . HN . . rr_1wz5 1 82 1 . . 1 1 15 15 GLN H H . . . 1 1 11 11 GLY HA3 H . . . . . 5.5 1.8 5.5 . . . . . A . 15 GLN H . . A . 11 GLY HA3 . . . 15 . HN . . . . . 11 . HA1 . . rr_1wz5 1 83 1 . . 1 1 11 11 GLY HA2 H . . . 1 1 15 15 GLN H H . . . . . 5.5 1.8 5.5 . . . . . A . 11 GLY HA2 . . A . 15 GLN H . . . 11 . HA2 . . . . . 15 . HN . . rr_1wz5 1 84 1 OR . 1 1 15 15 GLN H H . . . 1 1 11 11 GLY HA3 H . . . . . 4.8 1.8 4.8 . . . . . A . 15 GLN H . . A . 11 GLY HA3 . . . 15 . HN . . . . . 11 . HA* . . rr_1wz5 1 84 2 OR . 1 1 11 11 GLY HA2 H . . . 1 1 15 15 GLN H H . . . . . 4.8 1.8 4.8 . . . . . A . 11 GLY HA2 . . A . 15 GLN H . . . 11 . HA* . . . . . 15 . HN . . rr_1wz5 1 85 1 . . 1 1 12 12 ARG H H . . . 1 1 12 12 ARG HA H . . . . . 2.8 1.8 2.8 . . . . . A . 12 ARG H . . A . 12 ARG HA . . . 12 . HN . . . . . 12 . HA . . rr_1wz5 1 86 1 OR . 1 1 12 12 ARG H H . . . 1 1 12 12 ARG HB2 H . . . . . 3.5 1.8 3.5 . . . . . A . 12 ARG H . . A . 12 ARG HB2 . . . 12 . HN . . . . . 12 . HB* . . rr_1wz5 1 86 2 OR . 1 1 12 12 ARG H H . . . 1 1 12 12 ARG HB3 H . . . . . 3.5 1.8 3.5 . . . . . A . 12 ARG H . . A . 12 ARG HB3 . . . 12 . HN . . . . . 12 . HB* . . rr_1wz5 1 87 1 . . 1 1 12 12 ARG H H . . . 1 1 12 12 ARG HG3 H . . . . . 6.0 1.8 6.0 . . . . . A . 12 ARG H . . A . 12 ARG HG3 . . . 12 . HN . . . . . 12 . HG1 . . rr_1wz5 1 88 1 . . 1 1 12 12 ARG H H . . . 1 1 12 12 ARG HG2 H . . . . . 6.0 1.8 6.0 . . . . . A . 12 ARG H . . A . 12 ARG HG2 . . . 12 . HN . . . . . 12 . HG2 . . rr_1wz5 1 89 1 OR . 1 1 12 12 ARG H H . . . 1 1 12 12 ARG HD2 H . . . . . 4.2 1.8 4.2 . . . . . A . 12 ARG H . . A . 12 ARG HD2 . . . 12 . HN . . . . . 12 . HD* . . rr_1wz5 1 89 2 OR . 1 1 12 12 ARG H H . . . 1 1 12 12 ARG HD3 H . . . . . 4.2 1.8 4.2 . . . . . A . 12 ARG H . . A . 12 ARG HD3 . . . 12 . HN . . . . . 12 . HD* . . rr_1wz5 1 90 1 . . 1 1 12 12 ARG H H . . . 1 1 13 13 PRO HD3 H . . . . . 3.9 1.8 3.9 . . . . . A . 12 ARG H . . A . 13 PRO HD3 . . . 12 . HN . . . . . 13 . HD1 . . rr_1wz5 1 91 1 . . 1 1 12 12 ARG H H . . . 1 1 13 13 PRO HD2 H . . . . . 3.9 1.8 3.9 . . . . . A . 12 ARG H . . A . 13 PRO HD2 . . . 12 . HN . . . . . 13 . HD2 . . rr_1wz5 1 92 1 OR . 1 1 12 12 ARG H H . . . 1 1 13 13 PRO HD2 H . . . . . 3.5 1.8 3.5 . . . . . A . 12 ARG H . . A . 13 PRO HD2 . . . 12 . HN . . . . . 13 . HD* . . rr_1wz5 1 92 2 OR . 1 1 12 12 ARG H H . . . 1 1 13 13 PRO HD3 H . . . . . 3.5 1.8 3.5 . . . . . A . 12 ARG H . . A . 13 PRO HD3 . . . 12 . HN . . . . . 13 . HD* . . rr_1wz5 1 93 1 OR . 1 1 12 12 ARG HA H . . . 1 1 12 12 ARG HD2 H . . . . . 7.0 1.8 7.0 . . . . . A . 12 ARG HA . . A . 12 ARG HD2 . . . 12 . HA . . . . . 12 . HD* . . rr_1wz5 1 93 2 OR . 1 1 12 12 ARG HA H . . . 1 1 12 12 ARG HD3 H . . . . . 7.0 1.8 7.0 . . . . . A . 12 ARG HA . . A . 12 ARG HD3 . . . 12 . HA . . . . . 12 . HD* . . rr_1wz5 1 94 1 . . 1 1 15 15 GLN H H . . . 1 1 12 12 ARG HA H . . . . . 3.4 1.8 3.4 . . . . . A . 15 GLN H . . A . 12 ARG HA . . . 15 . HN . . . . . 12 . HA . . rr_1wz5 1 95 1 OR . 1 1 12 12 ARG HB3 H . . . 1 1 13 13 PRO HD2 H . . . . . 6.7 1.8 6.7 . . . . . A . 12 ARG HB3 . . A . 13 PRO HD2 . . . 12 . HB* . . . . . 13 . HD* . . rr_1wz5 1 95 2 OR . 1 1 12 12 ARG HB2 H . . . 1 1 13 13 PRO HD2 H . . . . . 6.7 1.8 6.7 . . . . . A . 12 ARG HB2 . . A . 13 PRO HD2 . . . 12 . HB* . . . . . 13 . HD* . . rr_1wz5 1 95 3 OR . 1 1 13 13 PRO HD3 H . . . 1 1 12 12 ARG HB2 H . . . . . 6.7 1.8 6.7 . . . . . A . 13 PRO HD3 . . A . 12 ARG HB2 . . . 13 . HD* . . . . . 12 . HB* . . rr_1wz5 1 95 4 OR . 1 1 12 12 ARG HB3 H . . . 1 1 13 13 PRO HD3 H . . . . . 6.7 1.8 6.7 . . . . . A . 12 ARG HB3 . . A . 13 PRO HD3 . . . 12 . HB* . . . . . 13 . HD* . . rr_1wz5 1 96 1 . . 1 1 13 13 PRO HA H . . . 1 1 16 16 GLN H H . . . . . 4.2 1.8 4.2 . . . . . A . 13 PRO HA . . A . 16 GLN H . . . 13 . HA . . . . . 16 . HN . . rr_1wz5 1 97 1 OR . 1 1 14 14 CYS H H . . . 1 1 13 13 PRO HB2 H . . . . . 4.5 1.8 4.5 . . . . . A . 14 CYS H . . A . 13 PRO HB2 . . . 14 . HN . . . . . 13 . HB* . . rr_1wz5 1 97 2 OR . 1 1 14 14 CYS H H . . . 1 1 13 13 PRO HB3 H . . . . . 4.5 1.8 4.5 . . . . . A . 14 CYS H . . A . 13 PRO HB3 . . . 14 . HN . . . . . 13 . HB* . . rr_1wz5 1 98 1 OR . 1 1 14 14 CYS H H . . . 1 1 13 13 PRO HD2 H . . . . . 5.0 1.8 5.0 . . . . . A . 14 CYS H . . A . 13 PRO HD2 . . . 14 . HN . . . . . 13 . HD* . . rr_1wz5 1 98 2 OR . 1 1 14 14 CYS H H . . . 1 1 13 13 PRO HD3 H . . . . . 5.0 1.8 5.0 . . . . . A . 14 CYS H . . A . 13 PRO HD3 . . . 14 . HN . . . . . 13 . HD* . . rr_1wz5 1 99 1 . . 1 1 14 14 CYS H H . . . 1 1 14 14 CYS HB3 H . . . . . 3.4 1.8 3.4 . . . . . A . 14 CYS H . . A . 14 CYS HB3 . . . 14 . HN . . . . . 14 . HB1 . . rr_1wz5 1 100 1 . . 1 1 14 14 CYS H H . . . 1 1 14 14 CYS HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 14 CYS H . . A . 14 CYS HB2 . . . 14 . HN . . . . . 14 . HB2 . . rr_1wz5 1 101 1 OR . 1 1 14 14 CYS H H . . . 1 1 14 14 CYS HB2 H . . . . . 3.0 1.8 3.0 . . . . . A . 14 CYS H . . A . 14 CYS HB2 . . . 14 . HN . . . . . 14 . HB* . . rr_1wz5 1 101 2 OR . 1 1 14 14 CYS H H . . . 1 1 14 14 CYS HB3 H . . . . . 3.0 1.8 3.0 . . . . . A . 14 CYS H . . A . 14 CYS HB3 . . . 14 . HN . . . . . 14 . HB* . . rr_1wz5 1 102 1 . . 1 1 14 14 CYS H H . . . 1 1 15 15 GLN H H . . . . . 3.0 1.8 3.0 . . . . . A . 14 CYS H . . A . 15 GLN H . . . 14 . HN . . . . . 15 . HN . . rr_1wz5 1 103 1 . . 1 1 14 14 CYS HA H . . . 1 1 17 17 GLN H H . . . . . 3.5 1.8 3.5 . . . . . A . 14 CYS HA . . A . 17 GLN H . . . 14 . HA . . . . . 17 . HN . . rr_1wz5 1 104 1 . . 1 1 14 14 CYS CB C . . . 1 1 32 32 CYS SG S . . . . . 3.1 1.8 3.1 . . . . . A . 14 CYS CB . . A . 32 CYS SG . . . 14 . CB . . . . . 32 . SG . . rr_1wz5 1 105 1 . . 1 1 15 15 GLN H H . . . 1 1 14 14 CYS HB3 H . . . . . 4.4 1.8 4.4 . . . . . A . 15 GLN H . . A . 14 CYS HB3 . . . 15 . HN . . . . . 14 . HB1 . . rr_1wz5 1 106 1 . . 1 1 15 15 GLN H H . . . 1 1 14 14 CYS HB2 H . . . . . 4.4 1.8 4.4 . . . . . A . 15 GLN H . . A . 14 CYS HB2 . . . 15 . HN . . . . . 14 . HB2 . . rr_1wz5 1 107 1 OR . 1 1 15 15 GLN H H . . . 1 1 14 14 CYS HB2 H . . . . . 4.0 1.8 4.0 . . . . . A . 15 GLN H . . A . 14 CYS HB2 . . . 15 . HN . . . . . 14 . HB* . . rr_1wz5 1 107 2 OR . 1 1 15 15 GLN H H . . . 1 1 14 14 CYS HB3 H . . . . . 4.0 1.8 4.0 . . . . . A . 15 GLN H . . A . 14 CYS HB3 . . . 15 . HN . . . . . 14 . HB* . . rr_1wz5 1 108 1 . . 1 1 14 14 CYS SG S . . . 1 1 32 32 CYS CB C . . . . . 3.1 1.8 3.1 . . . . . A . 14 CYS SG . . A . 32 CYS CB . . . 14 . SG . . . . . 32 . CB . . rr_1wz5 1 109 1 . . 1 1 32 32 CYS SG S . . . 1 1 14 14 CYS SG S . . . . . 2.1 1.8 2.1 . . . . . A . 32 CYS SG . . A . 14 CYS SG . . . 32 . SG . . . . . 14 . SG . . rr_1wz5 1 110 1 OR . 1 1 15 15 GLN H H . . . 1 1 15 15 GLN HB2 H . . . . . 3.7 1.8 3.7 . . . . . A . 15 GLN H . . A . 15 GLN HB2 . . . 15 . HN . . . . . 15 . HB* . . rr_1wz5 1 110 2 OR . 1 1 15 15 GLN H H . . . 1 1 15 15 GLN HB3 H . . . . . 3.7 1.8 3.7 . . . . . A . 15 GLN H . . A . 15 GLN HB3 . . . 15 . HN . . . . . 15 . HB* . . rr_1wz5 1 111 1 . . 1 1 15 15 GLN H H . . . 1 1 15 15 GLN HG3 H . . . . . 5.0 1.8 5.0 . . . . . A . 15 GLN H . . A . 15 GLN HG3 . . . 15 . HN . . . . . 15 . HG1 . . rr_1wz5 1 112 1 . . 1 1 15 15 GLN H H . . . 1 1 15 15 GLN HG2 H . . . . . 5.0 1.8 5.0 . . . . . A . 15 GLN H . . A . 15 GLN HG2 . . . 15 . HN . . . . . 15 . HG2 . . rr_1wz5 1 113 1 OR . 1 1 15 15 GLN H H . . . 1 1 15 15 GLN HG3 H . . . . . 4.6 1.8 4.6 . . . . . A . 15 GLN H . . A . 15 GLN HG3 . . . 15 . HN . . . . . 15 . HG* . . rr_1wz5 1 113 2 OR . 1 1 15 15 GLN H H . . . 1 1 15 15 GLN HG2 H . . . . . 4.6 1.8 4.6 . . . . . A . 15 GLN H . . A . 15 GLN HG2 . . . 15 . HN . . . . . 15 . HG* . . rr_1wz5 1 114 1 . . 1 1 15 15 GLN H H . . . 1 1 16 16 GLN H H . . . . . 2.8 1.8 2.8 . . . . . A . 15 GLN H . . A . 16 GLN H . . . 15 . HN . . . . . 16 . HN . . rr_1wz5 1 115 1 OR . 1 1 15 15 GLN HA H . . . 1 1 15 15 GLN HG3 H . . . . . 4.0 1.8 4.0 . . . . . A . 15 GLN HA . . A . 15 GLN HG3 . . . 15 . HA . . . . . 15 . HG* . . rr_1wz5 1 115 2 OR . 1 1 15 15 GLN HG2 H . . . 1 1 15 15 GLN HA H . . . . . 4.0 1.8 4.0 . . . . . A . 15 GLN HG2 . . A . 15 GLN HA . . . 15 . HG* . . . . . 15 . HA . . rr_1wz5 1 116 1 . . 1 1 15 15 GLN HA H . . . 1 1 18 18 THR H H . . . . . 3.4 1.8 3.4 . . . . . A . 15 GLN HA . . A . 18 THR H . . . 15 . HA . . . . . 18 . HN . . rr_1wz5 1 117 1 OR . 1 1 16 16 GLN H H . . . 1 1 15 15 GLN HB2 H . . . . . 4.0 1.8 4.0 . . . . . A . 16 GLN H . . A . 15 GLN HB2 . . . 16 . HN . . . . . 15 . HB* . . rr_1wz5 1 117 2 OR . 1 1 16 16 GLN H H . . . 1 1 15 15 GLN HB3 H . . . . . 4.0 1.8 4.0 . . . . . A . 16 GLN H . . A . 15 GLN HB3 . . . 16 . HN . . . . . 15 . HB* . . rr_1wz5 1 118 1 OR . 1 1 16 16 GLN H H . . . 1 1 15 15 GLN HG3 H . . . . . 5.6 1.8 5.6 . . . . . A . 16 GLN H . . A . 15 GLN HG3 . . . 16 . HN . . . . . 15 . HG* . . rr_1wz5 1 118 2 OR . 1 1 16 16 GLN H H . . . 1 1 15 15 GLN HG2 H . . . . . 5.6 1.8 5.6 . . . . . A . 16 GLN H . . A . 15 GLN HG2 . . . 16 . HN . . . . . 15 . HG* . . rr_1wz5 1 119 1 OR . 1 1 16 16 GLN H H . . . 1 1 16 16 GLN HB2 H . . . . . 3.8 1.8 3.8 . . . . . A . 16 GLN H . . A . 16 GLN HB2 . . . 16 . HN . . . . . 16 . HB* . . rr_1wz5 1 119 2 OR . 1 1 16 16 GLN H H . . . 1 1 16 16 GLN HB3 H . . . . . 3.8 1.8 3.8 . . . . . A . 16 GLN H . . A . 16 GLN HB3 . . . 16 . HN . . . . . 16 . HB* . . rr_1wz5 1 120 1 . . 1 1 16 16 GLN H H . . . 1 1 16 16 GLN HG3 H . . . . . 5.2 1.8 5.2 . . . . . A . 16 GLN H . . A . 16 GLN HG3 . . . 16 . HN . . . . . 16 . HG1 . . rr_1wz5 1 121 1 . . 1 1 16 16 GLN H H . . . 1 1 16 16 GLN HG2 H . . . . . 5.2 1.8 5.2 . . . . . A . 16 GLN H . . A . 16 GLN HG2 . . . 16 . HN . . . . . 16 . HG2 . . rr_1wz5 1 122 1 OR . 1 1 16 16 GLN H H . . . 1 1 16 16 GLN HG3 H . . . . . 4.8 1.8 4.8 . . . . . A . 16 GLN H . . A . 16 GLN HG3 . . . 16 . HN . . . . . 16 . HG* . . rr_1wz5 1 122 2 OR . 1 1 16 16 GLN H H . . . 1 1 16 16 GLN HG2 H . . . . . 4.8 1.8 4.8 . . . . . A . 16 GLN H . . A . 16 GLN HG2 . . . 16 . HN . . . . . 16 . HG* . . rr_1wz5 1 123 1 . . 1 1 16 16 GLN H H . . . 1 1 17 17 GLN H H . . . . . 3.3 1.8 3.3 . . . . . A . 16 GLN H . . A . 17 GLN H . . . 16 . HN . . . . . 17 . HN . . rr_1wz5 1 124 1 OR . 1 1 17 17 GLN H H . . . 1 1 17 17 GLN HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 17 GLN H . . A . 17 GLN HB2 . . . 17 . HN . . . . . 17 . HB* . . rr_1wz5 1 124 2 OR . 1 1 17 17 GLN H H . . . 1 1 17 17 GLN HB3 H . . . . . 3.4 1.8 3.4 . . . . . A . 17 GLN H . . A . 17 GLN HB3 . . . 17 . HN . . . . . 17 . HB* . . rr_1wz5 1 125 1 . . 1 1 17 17 GLN H H . . . 1 1 17 17 GLN HG3 H . . . . . 5.2 1.8 5.2 . . . . . A . 17 GLN H . . A . 17 GLN HG3 . . . 17 . HN . . . . . 17 . HG1 . . rr_1wz5 1 126 1 . . 1 1 17 17 GLN H H . . . 1 1 17 17 GLN HG2 H . . . . . 5.2 1.8 5.2 . . . . . A . 17 GLN H . . A . 17 GLN HG2 . . . 17 . HN . . . . . 17 . HG2 . . rr_1wz5 1 127 1 OR . 1 1 17 17 GLN H H . . . 1 1 17 17 GLN HG3 H . . . . . 4.8 1.8 4.8 . . . . . A . 17 GLN H . . A . 17 GLN HG3 . . . 17 . HN . . . . . 17 . HG* . . rr_1wz5 1 127 2 OR . 1 1 17 17 GLN H H . . . 1 1 17 17 GLN HG2 H . . . . . 4.8 1.8 4.8 . . . . . A . 17 GLN H . . A . 17 GLN HG2 . . . 17 . HN . . . . . 17 . HG* . . rr_1wz5 1 128 1 . . 1 1 17 17 GLN H H . . . 1 1 18 18 THR H H . . . . . 3.0 1.8 3.0 . . . . . A . 17 GLN H . . A . 18 THR H . . . 17 . HN . . . . . 18 . HN . . rr_1wz5 1 129 1 OR . 1 1 18 18 THR H H . . . 1 1 17 17 GLN HB2 H . . . . . 4.4 1.8 4.4 . . . . . A . 18 THR H . . A . 17 GLN HB2 . . . 18 . HN . . . . . 17 . HB* . . rr_1wz5 1 129 2 OR . 1 1 18 18 THR H H . . . 1 1 17 17 GLN HB3 H . . . . . 4.4 1.8 4.4 . . . . . A . 18 THR H . . A . 17 GLN HB3 . . . 18 . HN . . . . . 17 . HB* . . rr_1wz5 1 130 1 OR . 1 1 18 18 THR H H . . . 1 1 18 18 THR MG H . . . . . 4.5 1.8 4.5 . . . . . A . 18 THR H . . A . 18 THR MG . . . 18 . HN . . . . . 18 . HG* . . rr_1wz5 1 130 2 OR . 1 1 18 18 THR H H . . . 1 1 18 18 THR HG1 H . . . . . 4.5 1.8 4.5 . . . . . A . 18 THR H . . A . 18 THR HG1 . . . 18 . HN . . . . . 18 . HG* . . rr_1wz5 1 131 1 OR . 1 1 34 34 GLY H H . . . 1 1 18 18 THR MG H . . . . . 7.0 1.8 7.0 . . . . . A . 34 GLY H . . A . 18 THR MG . . . 34 . HN . . . . . 18 . HG* . . rr_1wz5 1 131 2 OR . 1 1 18 18 THR HG1 H . . . 1 1 34 34 GLY H H . . . . . 7.0 1.8 7.0 . . . . . A . 18 THR HG1 . . A . 34 GLY H . . . 18 . HG* . . . . . 34 . HN . . rr_1wz5 1 132 1 . . 1 1 21 21 PRO HD3 H . . . 1 1 22 22 ASN H H . . . . . 4.8 1.8 4.8 . . . . . A . 21 PRO HD3 . . A . 22 ASN H . . . 21 . HD1 . . . . . 22 . HN . . rr_1wz5 1 133 1 . . 1 1 22 22 ASN H H . . . 1 1 21 21 PRO HD2 H . . . . . 4.8 1.8 4.8 . . . . . A . 22 ASN H . . A . 21 PRO HD2 . . . 22 . HN . . . . . 21 . HD2 . . rr_1wz5 1 134 1 OR . 1 1 22 22 ASN H H . . . 1 1 21 21 PRO HD2 H . . . . . 4.4 1.8 4.4 . . . . . A . 22 ASN H . . A . 21 PRO HD2 . . . 22 . HN . . . . . 21 . HD* . . rr_1wz5 1 134 2 OR . 1 1 21 21 PRO HD3 H . . . 1 1 22 22 ASN H H . . . . . 4.4 1.8 4.4 . . . . . A . 21 PRO HD3 . . A . 22 ASN H . . . 21 . HD* . . . . . 22 . HN . . rr_1wz5 1 135 1 . . 1 1 22 22 ASN H H . . . 1 1 22 22 ASN HB3 H . . . . . 3.4 1.8 3.4 . . . . . A . 22 ASN H . . A . 22 ASN HB3 . . . 22 . HN . . . . . 22 . HB1 . . rr_1wz5 1 136 1 . . 1 1 22 22 ASN H H . . . 1 1 22 22 ASN HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 22 ASN H . . A . 22 ASN HB2 . . . 22 . HN . . . . . 22 . HB2 . . rr_1wz5 1 137 1 OR . 1 1 22 22 ASN H H . . . 1 1 22 22 ASN HB3 H . . . . . 3.1 1.8 3.1 . . . . . A . 22 ASN H . . A . 22 ASN HB3 . . . 22 . HN . . . . . 22 . HB* . . rr_1wz5 1 137 2 OR . 1 1 22 22 ASN H H . . . 1 1 22 22 ASN HB2 H . . . . . 3.1 1.8 3.1 . . . . . A . 22 ASN H . . A . 22 ASN HB2 . . . 22 . HN . . . . . 22 . HB* . . rr_1wz5 1 138 1 . . 1 1 22 22 ASN H H . . . 1 1 23 23 SER H H . . . . . 4.4 1.8 4.4 . . . . . A . 22 ASN H . . A . 23 SER H . . . 22 . HN . . . . . 23 . HN . . rr_1wz5 1 139 1 . . 1 1 23 23 SER H H . . . 1 1 22 22 ASN HA H . . . . . 2.4 1.8 2.4 . . . . . A . 23 SER H . . A . 22 ASN HA . . . 23 . HN . . . . . 22 . HA . . rr_1wz5 1 140 1 . . 1 1 23 23 SER H H . . . 1 1 22 22 ASN HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 23 SER H . . A . 22 ASN HB3 . . . 23 . HN . . . . . 22 . HB1 . . rr_1wz5 1 141 1 . . 1 1 33 33 TYR CG C . . . 1 1 22 22 ASN HB3 H . . . . . 7.5 1.8 7.5 . . . . . A . 33 TYR CG . . A . 22 ASN HB3 . . . 33 . CG . . . . . 22 . HB1 . . rr_1wz5 1 142 1 . . 1 1 22 22 ASN HB2 H . . . 1 1 23 23 SER H H . . . . . 5.0 1.8 5.0 . . . . . A . 22 ASN HB2 . . A . 23 SER H . . . 22 . HB2 . . . . . 23 . HN . . rr_1wz5 1 143 1 . . 1 1 22 22 ASN HB2 H . . . 1 1 33 33 TYR CG C . . . . . 7.5 1.8 7.5 . . . . . A . 22 ASN HB2 . . A . 33 TYR CG . . . 22 . HB2 . . . . . 33 . CG . . rr_1wz5 1 144 1 OR . 1 1 23 23 SER H H . . . 1 1 22 22 ASN HB3 H . . . . . 4.4 1.8 4.4 . . . . . A . 23 SER H . . A . 22 ASN HB3 . . . 23 . HN . . . . . 22 . HB* . . rr_1wz5 1 144 2 OR . 1 1 22 22 ASN HB2 H . . . 1 1 23 23 SER H H . . . . . 4.4 1.8 4.4 . . . . . A . 22 ASN HB2 . . A . 23 SER H . . . 22 . HB* . . . . . 23 . HN . . rr_1wz5 1 145 1 . . 1 1 23 23 SER HA H . . . 1 1 24 24 LYS H H . . . . . 2.4 1.8 2.4 . . . . . A . 23 SER HA . . A . 24 LYS H . . . 23 . HA . . . . . 24 . HN . . rr_1wz5 1 146 1 . . 1 1 23 23 SER HA H . . . 1 1 32 32 CYS HA H . . . . . 2.4 1.8 2.4 . . . . . A . 23 SER HA . . A . 32 CYS HA . . . 23 . HA . . . . . 32 . HA . . rr_1wz5 1 147 1 . . 1 1 23 23 SER HA H . . . 1 1 33 33 TYR H H . . . . . 4.2 1.8 4.2 . . . . . A . 23 SER HA . . A . 33 TYR H . . . 23 . HA . . . . . 33 . HN . . rr_1wz5 1 148 1 OR . 1 1 24 24 LYS H H . . . 1 1 23 23 SER HB2 H . . . . . 3.9 1.8 3.9 . . . . . A . 24 LYS H . . A . 23 SER HB2 . . . 24 . HN . . . . . 23 . HB* . . rr_1wz5 1 148 2 OR . 1 1 24 24 LYS H H . . . 1 1 23 23 SER HB3 H . . . . . 3.9 1.8 3.9 . . . . . A . 24 LYS H . . A . 23 SER HB3 . . . 24 . HN . . . . . 23 . HB* . . rr_1wz5 1 149 1 . . 1 1 24 24 LYS N N . . . 1 1 31 31 LYS O O . . . . . 3.3 1.8 3.3 . . . . . A . 24 LYS N . . A . 31 LYS O . . . 24 . N . . . . . 31 . O . . rr_1wz5 1 150 1 . . 1 1 24 24 LYS H H . . . 1 1 24 24 LYS HG3 H . . . . . 6.0 1.8 6.0 . . . . . A . 24 LYS H . . A . 24 LYS HG3 . . . 24 . HN . . . . . 24 . HG1 . . rr_1wz5 1 151 1 . . 1 1 24 24 LYS H H . . . 1 1 24 24 LYS HG2 H . . . . . 6.0 1.8 6.0 . . . . . A . 24 LYS H . . A . 24 LYS HG2 . . . 24 . HN . . . . . 24 . HG2 . . rr_1wz5 1 152 1 OR . 1 1 24 24 LYS H H . . . 1 1 24 24 LYS HD2 H . . . . . 5.7 1.8 5.7 . . . . . A . 24 LYS H . . A . 24 LYS HD2 . . . 24 . HN . . . . . 24 . HD* . . rr_1wz5 1 152 2 OR . 1 1 24 24 LYS H H . . . 1 1 24 24 LYS HD3 H . . . . . 5.7 1.8 5.7 . . . . . A . 24 LYS H . . A . 24 LYS HD3 . . . 24 . HN . . . . . 24 . HD* . . rr_1wz5 1 153 1 OR . 1 1 24 24 LYS H H . . . 1 1 24 24 LYS HE2 H . . . . . 7.0 1.8 7.0 . . . . . A . 24 LYS H . . A . 24 LYS HE2 . . . 24 . HN . . . . . 24 . HE* . . rr_1wz5 1 153 2 OR . 1 1 24 24 LYS H H . . . 1 1 24 24 LYS HE3 H . . . . . 7.0 1.8 7.0 . . . . . A . 24 LYS H . . A . 24 LYS HE3 . . . 24 . HN . . . . . 24 . HE* . . rr_1wz5 1 154 1 . . 1 1 24 24 LYS H H . . . 1 1 31 31 LYS H H . . . . . 3.4 1.8 3.4 . . . . . A . 24 LYS H . . A . 31 LYS H . . . 24 . HN . . . . . 31 . HN . . rr_1wz5 1 155 1 . . 1 1 24 24 LYS H H . . . 1 1 31 31 LYS O O . . . . . 2.3 1.8 2.3 . . . . . A . 24 LYS H . . A . 31 LYS O . . . 24 . HN . . . . . 31 . O . . rr_1wz5 1 156 1 OR . 1 1 24 24 LYS HA H . . . 1 1 24 24 LYS HD2 H . . . . . 7.0 1.8 7.0 . . . . . A . 24 LYS HA . . A . 24 LYS HD2 . . . 24 . HA . . . . . 24 . HD* . . rr_1wz5 1 156 2 OR . 1 1 24 24 LYS HD3 H . . . 1 1 24 24 LYS HA H . . . . . 7.0 1.8 7.0 . . . . . A . 24 LYS HD3 . . A . 24 LYS HA . . . 24 . HD* . . . . . 24 . HA . . rr_1wz5 1 157 1 OR . 1 1 24 24 LYS HA H . . . 1 1 24 24 LYS HE2 H . . . . . 7.0 1.8 7.0 . . . . . A . 24 LYS HA . . A . 24 LYS HE2 . . . 24 . HA . . . . . 24 . HE* . . rr_1wz5 1 157 2 OR . 1 1 24 24 LYS HE3 H . . . 1 1 24 24 LYS HA H . . . . . 7.0 1.8 7.0 . . . . . A . 24 LYS HE3 . . A . 24 LYS HA . . . 24 . HE* . . . . . 24 . HA . . rr_1wz5 1 158 1 . . 1 1 24 24 LYS HA H . . . 1 1 25 25 CYS H H . . . . . 2.4 1.8 2.4 . . . . . A . 24 LYS HA . . A . 25 CYS H . . . 24 . HA . . . . . 25 . HN . . rr_1wz5 1 159 1 OR . 1 1 25 25 CYS H H . . . 1 1 24 24 LYS HB2 H . . . . . 7.0 1.8 7.0 . . . . . A . 25 CYS H . . A . 24 LYS HB2 . . . 25 . HN . . . . . 24 . HB* . . rr_1wz5 1 159 2 OR . 1 1 25 25 CYS H H . . . 1 1 24 24 LYS HB3 H . . . . . 7.0 1.8 7.0 . . . . . A . 25 CYS H . . A . 24 LYS HB3 . . . 25 . HN . . . . . 24 . HB* . . rr_1wz5 1 160 1 . . 1 1 25 25 CYS H H . . . 1 1 24 24 LYS HG3 H . . . . . 5.0 1.8 5.0 . . . . . A . 25 CYS H . . A . 24 LYS HG3 . . . 25 . HN . . . . . 24 . HG1 . . rr_1wz5 1 161 1 . . 1 1 25 25 CYS H H . . . 1 1 24 24 LYS HG2 H . . . . . 5.0 1.8 5.0 . . . . . A . 25 CYS H . . A . 24 LYS HG2 . . . 25 . HN . . . . . 24 . HG2 . . rr_1wz5 1 162 1 OR . 1 1 25 25 CYS H H . . . 1 1 24 24 LYS HG3 H . . . . . 4.8 1.8 4.8 . . . . . A . 25 CYS H . . A . 24 LYS HG3 . . . 25 . HN . . . . . 24 . HG* . . rr_1wz5 1 162 2 OR . 1 1 25 25 CYS H H . . . 1 1 24 24 LYS HG2 H . . . . . 4.8 1.8 4.8 . . . . . A . 25 CYS H . . A . 24 LYS HG2 . . . 25 . HN . . . . . 24 . HG* . . rr_1wz5 1 163 1 OR . 1 1 25 25 CYS H H . . . 1 1 24 24 LYS HD2 H . . . . . 6.0 1.8 6.0 . . . . . A . 25 CYS H . . A . 24 LYS HD2 . . . 25 . HN . . . . . 24 . HD* . . rr_1wz5 1 163 2 OR . 1 1 24 24 LYS HD3 H . . . 1 1 25 25 CYS H H . . . . . 6.0 1.8 6.0 . . . . . A . 24 LYS HD3 . . A . 25 CYS H . . . 24 . HD* . . . . . 25 . HN . . rr_1wz5 1 164 1 . . 1 1 24 24 LYS O O . . . 1 1 31 31 LYS N N . . . . . 3.3 1.8 3.3 . . . . . A . 24 LYS O . . A . 31 LYS N . . . 24 . O . . . . . 31 . N . . rr_1wz5 1 165 1 . . 1 1 31 31 LYS H H . . . 1 1 24 24 LYS O O . . . . . 2.3 1.8 2.3 . . . . . A . 31 LYS H . . A . 24 LYS O . . . 31 . HN . . . . . 24 . O . . rr_1wz5 1 166 1 . . 1 1 25 25 CYS HB3 H . . . 1 1 25 25 CYS H H . . . . . 3.1 1.8 3.1 . . . . . A . 25 CYS HB3 . . A . 25 CYS H . . . 25 . HB1 . . . . . 25 . HN . . rr_1wz5 1 167 1 . . 1 1 25 25 CYS H H . . . 1 1 25 25 CYS HB2 H . . . . . 3.1 1.8 3.1 . . . . . A . 25 CYS H . . A . 25 CYS HB2 . . . 25 . HN . . . . . 25 . HB2 . . rr_1wz5 1 168 1 OR . 1 1 25 25 CYS H H . . . 1 1 25 25 CYS HB2 H . . . . . 2.9 1.8 2.9 . . . . . A . 25 CYS H . . A . 25 CYS HB2 . . . 25 . HN . . . . . 25 . HB* . . rr_1wz5 1 168 2 OR . 1 1 25 25 CYS HB3 H . . . 1 1 25 25 CYS H H . . . . . 2.9 1.8 2.9 . . . . . A . 25 CYS HB3 . . A . 25 CYS H . . . 25 . HB* . . . . . 25 . HN . . rr_1wz5 1 169 1 . . 1 1 25 25 CYS HA H . . . 1 1 26 26 ILE H H . . . . . 2.4 1.8 2.4 . . . . . A . 25 CYS HA . . A . 26 ILE H . . . 25 . HA . . . . . 26 . HN . . rr_1wz5 1 170 1 . . 1 1 25 25 CYS HA H . . . 1 1 30 30 CYS HA H . . . . . 2.4 1.8 2.4 . . . . . A . 25 CYS HA . . A . 30 CYS HA . . . 25 . HA . . . . . 30 . HA . . rr_1wz5 1 171 1 . . 1 1 25 25 CYS HB3 H . . . 1 1 26 26 ILE H H . . . . . 4.4 1.8 4.4 . . . . . A . 25 CYS HB3 . . A . 26 ILE H . . . 25 . HB1 . . . . . 26 . HN . . rr_1wz5 1 172 1 . . 1 1 26 26 ILE H H . . . 1 1 25 25 CYS HB2 H . . . . . 4.4 1.8 4.4 . . . . . A . 26 ILE H . . A . 25 CYS HB2 . . . 26 . HN . . . . . 25 . HB2 . . rr_1wz5 1 173 1 OR . 1 1 26 26 ILE H H . . . 1 1 25 25 CYS HB2 H . . . . . 4.1 1.8 4.1 . . . . . A . 26 ILE H . . A . 25 CYS HB2 . . . 26 . HN . . . . . 25 . HB* . . rr_1wz5 1 173 2 OR . 1 1 25 25 CYS HB3 H . . . 1 1 26 26 ILE H H . . . . . 4.1 1.8 4.1 . . . . . A . 25 CYS HB3 . . A . 26 ILE H . . . 25 . HB* . . . . . 26 . HN . . rr_1wz5 1 174 1 . . 1 1 26 26 ILE N N . . . 1 1 29 29 MET O O . . . . . 3.3 1.8 3.3 . . . . . A . 26 ILE N . . A . 29 MET O . . . 26 . N . . . . . 29 . O . . rr_1wz5 1 175 1 . . 1 1 26 26 ILE H H . . . 1 1 26 26 ILE HB H . . . . . 3.0 1.8 3.0 . . . . . A . 26 ILE H . . A . 26 ILE HB . . . 26 . HN . . . . . 26 . HB . . rr_1wz5 1 176 1 . . 1 1 26 26 ILE H H . . . 1 1 26 26 ILE MD H . . . . . 5.7 1.8 5.7 . . . . . A . 26 ILE H . . A . 26 ILE MD . . . 26 . HN . . . . . 26 . HD* . . rr_1wz5 1 177 1 . . 1 1 26 26 ILE H H . . . 1 1 29 29 MET H H . . . . . 3.3 1.8 3.3 . . . . . A . 26 ILE H . . A . 29 MET H . . . 26 . HN . . . . . 29 . HN . . rr_1wz5 1 178 1 . . 1 1 26 26 ILE H H . . . 1 1 29 29 MET O O . . . . . 2.3 1.8 2.3 . . . . . A . 26 ILE H . . A . 29 MET O . . . 26 . HN . . . . . 29 . O . . rr_1wz5 1 179 1 . . 1 1 26 26 ILE H H . . . 1 1 30 30 CYS HA H . . . . . 3.4 1.8 3.4 . . . . . A . 26 ILE H . . A . 30 CYS HA . . . 26 . HN . . . . . 30 . HA . . rr_1wz5 1 180 1 . . 1 1 26 26 ILE MD H . . . 1 1 26 26 ILE HA H . . . . . 3.6 1.8 3.6 . . . . . A . 26 ILE MD . . A . 26 ILE HA . . . 26 . HD* . . . . . 26 . HA . . rr_1wz5 1 181 1 . . 1 1 26 26 ILE HA H . . . 1 1 27 27 ASN H H . . . . . 2.4 1.8 2.4 . . . . . A . 26 ILE HA . . A . 27 ASN H . . . 26 . HA . . . . . 27 . HN . . rr_1wz5 1 182 1 OR . 1 1 27 27 ASN H H . . . 1 1 26 26 ILE HG12 H . . . . . 4.9 1.8 4.9 . . . . . A . 27 ASN H . . A . 26 ILE HG12 . . . 27 . HN . . . . . 26 . HG* . . rr_1wz5 1 182 2 OR . 1 1 27 27 ASN H H . . . 1 1 26 26 ILE MG H . . . . . 4.9 1.8 4.9 . . . . . A . 27 ASN H . . A . 26 ILE MG . . . 27 . HN . . . . . 26 . HG* . . rr_1wz5 1 182 3 OR . 1 1 27 27 ASN H H . . . 1 1 26 26 ILE HG13 H . . . . . 4.9 1.8 4.9 . . . . . A . 27 ASN H . . A . 26 ILE HG13 . . . 27 . HN . . . . . 26 . HG* . . rr_1wz5 1 183 1 . . 1 1 27 27 ASN H H . . . 1 1 27 27 ASN HA H . . . . . 2.7 1.8 2.7 . . . . . A . 27 ASN H . . A . 27 ASN HA . . . 27 . HN . . . . . 27 . HA . . rr_1wz5 1 184 1 . . 1 1 27 27 ASN H H . . . 1 1 28 28 ARG H H . . . . . 3.8 1.8 3.8 . . . . . A . 27 ASN H . . A . 28 ARG H . . . 27 . HN . . . . . 28 . HN . . rr_1wz5 1 185 1 . . 1 1 28 28 ARG H H . . . 1 1 28 28 ARG HA H . . . . . 2.5 1.8 2.5 . . . . . A . 28 ARG H . . A . 28 ARG HA . . . 28 . HN . . . . . 28 . HA . . rr_1wz5 1 186 1 . . 1 1 28 28 ARG H H . . . 1 1 28 28 ARG HB3 H . . . . . 3.9 1.8 3.9 . . . . . A . 28 ARG H . . A . 28 ARG HB3 . . . 28 . HN . . . . . 28 . HB1 . . rr_1wz5 1 187 1 . . 1 1 28 28 ARG H H . . . 1 1 28 28 ARG HB2 H . . . . . 3.9 1.8 3.9 . . . . . A . 28 ARG H . . A . 28 ARG HB2 . . . 28 . HN . . . . . 28 . HB2 . . rr_1wz5 1 188 1 OR . 1 1 28 28 ARG H H . . . 1 1 28 28 ARG HB3 H . . . . . 3.7 1.8 3.7 . . . . . A . 28 ARG H . . A . 28 ARG HB3 . . . 28 . HN . . . . . 28 . HB* . . rr_1wz5 1 188 2 OR . 1 1 28 28 ARG H H . . . 1 1 28 28 ARG HB2 H . . . . . 3.7 1.8 3.7 . . . . . A . 28 ARG H . . A . 28 ARG HB2 . . . 28 . HN . . . . . 28 . HB* . . rr_1wz5 1 189 1 OR . 1 1 28 28 ARG H H . . . 1 1 28 28 ARG HG2 H . . . . . 5.5 1.8 5.5 . . . . . A . 28 ARG H . . A . 28 ARG HG2 . . . 28 . HN . . . . . 28 . HG* . . rr_1wz5 1 189 2 OR . 1 1 28 28 ARG H H . . . 1 1 28 28 ARG HG3 H . . . . . 5.5 1.8 5.5 . . . . . A . 28 ARG H . . A . 28 ARG HG3 . . . 28 . HN . . . . . 28 . HG* . . rr_1wz5 1 190 1 OR . 1 1 28 28 ARG H H . . . 1 1 28 28 ARG HD2 H . . . . . 7.0 1.8 7.0 . . . . . A . 28 ARG H . . A . 28 ARG HD2 . . . 28 . HN . . . . . 28 . HD* . . rr_1wz5 1 190 2 OR . 1 1 28 28 ARG H H . . . 1 1 28 28 ARG HD3 H . . . . . 7.0 1.8 7.0 . . . . . A . 28 ARG H . . A . 28 ARG HD3 . . . 28 . HN . . . . . 28 . HD* . . rr_1wz5 1 191 1 . . 1 1 29 29 MET H H . . . 1 1 28 28 ARG H H . . . . . 3.8 1.8 3.8 . . . . . A . 29 MET H . . A . 28 ARG H . . . 29 . HN . . . . . 28 . HN . . rr_1wz5 1 192 1 OR . 1 1 28 28 ARG HA H . . . 1 1 28 28 ARG HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 28 ARG HA . . A . 28 ARG HB3 . . . 28 . HA . . . . . 28 . HB* . . rr_1wz5 1 192 2 OR . 1 1 28 28 ARG HA H . . . 1 1 28 28 ARG HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 28 ARG HA . . A . 28 ARG HB2 . . . 28 . HA . . . . . 28 . HB* . . rr_1wz5 1 193 1 OR . 1 1 29 29 MET H H . . . 1 1 29 29 MET HB3 H . . . . . 3.9 1.8 3.9 . . . . . A . 29 MET H . . A . 29 MET HB3 . . . 29 . HN . . . . . 29 . HB* . . rr_1wz5 1 193 2 OR . 1 1 29 29 MET H H . . . 1 1 29 29 MET HB2 H . . . . . 3.9 1.8 3.9 . . . . . A . 29 MET H . . A . 29 MET HB2 . . . 29 . HN . . . . . 29 . HB* . . rr_1wz5 1 194 1 . . 1 1 29 29 MET H H . . . 1 1 29 29 MET HG3 H . . . . . 6.0 1.8 6.0 . . . . . A . 29 MET H . . A . 29 MET HG3 . . . 29 . HN . . . . . 29 . HG1 . . rr_1wz5 1 195 1 . . 1 1 29 29 MET H H . . . 1 1 29 29 MET HG2 H . . . . . 6.0 1.8 6.0 . . . . . A . 29 MET H . . A . 29 MET HG2 . . . 29 . HN . . . . . 29 . HG2 . . rr_1wz5 1 196 1 OR . 1 1 29 29 MET H H . . . 1 1 29 29 MET HG3 H . . . . . 5.7 1.8 5.7 . . . . . A . 29 MET H . . A . 29 MET HG3 . . . 29 . HN . . . . . 29 . HG* . . rr_1wz5 1 196 2 OR . 1 1 29 29 MET H H . . . 1 1 29 29 MET HG2 H . . . . . 5.7 1.8 5.7 . . . . . A . 29 MET H . . A . 29 MET HG2 . . . 29 . HN . . . . . 29 . HG* . . rr_1wz5 1 197 1 . . 1 1 29 29 MET H H . . . 1 1 30 30 CYS H H . . . . . 5.0 1.8 5.0 . . . . . A . 29 MET H . . A . 30 CYS H . . . 29 . HN . . . . . 30 . HN . . rr_1wz5 1 198 1 . . 1 1 30 30 CYS H H . . . 1 1 29 29 MET HA H . . . . . 2.5 1.8 2.5 . . . . . A . 30 CYS H . . A . 29 MET HA . . . 30 . HN . . . . . 29 . HA . . rr_1wz5 1 199 1 . . 1 1 30 30 CYS H H . . . 1 1 29 29 MET HB3 H . . . . . 4.2 1.8 4.2 . . . . . A . 30 CYS H . . A . 29 MET HB3 . . . 30 . HN . . . . . 29 . HB1 . . rr_1wz5 1 200 1 . . 1 1 29 29 MET HB2 H . . . 1 1 30 30 CYS H H . . . . . 4.2 1.8 4.2 . . . . . A . 29 MET HB2 . . A . 30 CYS H . . . 29 . HB2 . . . . . 30 . HN . . rr_1wz5 1 201 1 OR . 1 1 30 30 CYS H H . . . 1 1 29 29 MET HB3 H . . . . . 4.0 1.8 4.0 . . . . . A . 30 CYS H . . A . 29 MET HB3 . . . 30 . HN . . . . . 29 . HB* . . rr_1wz5 1 201 2 OR . 1 1 29 29 MET HB2 H . . . 1 1 30 30 CYS H H . . . . . 4.0 1.8 4.0 . . . . . A . 29 MET HB2 . . A . 30 CYS H . . . 29 . HB* . . . . . 30 . HN . . rr_1wz5 1 202 1 . . 1 1 30 30 CYS H H . . . 1 1 30 30 CYS HB3 H . . . . . 3.3 1.8 3.3 . . . . . A . 30 CYS H . . A . 30 CYS HB3 . . . 30 . HN . . . . . 30 . HB1 . . rr_1wz5 1 203 1 . . 1 1 30 30 CYS H H . . . 1 1 30 30 CYS HB2 H . . . . . 3.3 1.8 3.3 . . . . . A . 30 CYS H . . A . 30 CYS HB2 . . . 30 . HN . . . . . 30 . HB2 . . rr_1wz5 1 204 1 OR . 1 1 30 30 CYS H H . . . 1 1 30 30 CYS HB2 H . . . . . 3.0 1.8 3.0 . . . . . A . 30 CYS H . . A . 30 CYS HB2 . . . 30 . HN . . . . . 30 . HB* . . rr_1wz5 1 204 2 OR . 1 1 30 30 CYS H H . . . 1 1 30 30 CYS HB3 H . . . . . 3.0 1.8 3.0 . . . . . A . 30 CYS H . . A . 30 CYS HB3 . . . 30 . HN . . . . . 30 . HB* . . rr_1wz5 1 205 1 . . 1 1 31 31 LYS H H . . . 1 1 30 30 CYS HA H . . . . . 2.5 1.8 2.5 . . . . . A . 31 LYS H . . A . 30 CYS HA . . . 31 . HN . . . . . 30 . HA . . rr_1wz5 1 206 1 . . 1 1 31 31 LYS H H . . . 1 1 30 30 CYS HB3 H . . . . . 4.4 1.8 4.4 . . . . . A . 31 LYS H . . A . 30 CYS HB3 . . . 31 . HN . . . . . 30 . HB1 . . rr_1wz5 1 207 1 . . 1 1 31 31 LYS H H . . . 1 1 30 30 CYS HB2 H . . . . . 4.4 1.8 4.4 . . . . . A . 31 LYS H . . A . 30 CYS HB2 . . . 31 . HN . . . . . 30 . HB2 . . rr_1wz5 1 208 1 OR . 1 1 31 31 LYS H H . . . 1 1 30 30 CYS HB2 H . . . . . 4.2 1.8 4.2 . . . . . A . 31 LYS H . . A . 30 CYS HB2 . . . 31 . HN . . . . . 30 . HB* . . rr_1wz5 1 208 2 OR . 1 1 31 31 LYS H H . . . 1 1 30 30 CYS HB3 H . . . . . 4.2 1.8 4.2 . . . . . A . 31 LYS H . . A . 30 CYS HB3 . . . 31 . HN . . . . . 30 . HB* . . rr_1wz5 1 209 1 . . 1 1 31 31 LYS H H . . . 1 1 31 31 LYS HG3 H . . . . . 6.0 1.8 6.0 . . . . . A . 31 LYS H . . A . 31 LYS HG3 . . . 31 . HN . . . . . 31 . HG1 . . rr_1wz5 1 210 1 . . 1 1 31 31 LYS H H . . . 1 1 31 31 LYS HG2 H . . . . . 6.0 1.8 6.0 . . . . . A . 31 LYS H . . A . 31 LYS HG2 . . . 31 . HN . . . . . 31 . HG2 . . rr_1wz5 1 211 1 OR . 1 1 31 31 LYS H H . . . 1 1 31 31 LYS HE3 H . . . . . 5.1 1.8 5.1 . . . . . A . 31 LYS H . . A . 31 LYS HE3 . . . 31 . HN . . . . . 31 . HE* . . rr_1wz5 1 211 2 OR . 1 1 31 31 LYS H H . . . 1 1 31 31 LYS HE2 H . . . . . 5.1 1.8 5.1 . . . . . A . 31 LYS H . . A . 31 LYS HE2 . . . 31 . HN . . . . . 31 . HE* . . rr_1wz5 1 212 1 OR . 1 1 31 31 LYS HA H . . . 1 1 31 31 LYS HD2 H . . . . . 6.9 1.8 6.9 . . . . . A . 31 LYS HA . . A . 31 LYS HD2 . . . 31 . HA . . . . . 31 . HD* . . rr_1wz5 1 212 2 OR . 1 1 31 31 LYS HA H . . . 1 1 31 31 LYS HD3 H . . . . . 6.9 1.8 6.9 . . . . . A . 31 LYS HA . . A . 31 LYS HD3 . . . 31 . HA . . . . . 31 . HD* . . rr_1wz5 1 213 1 . . 1 1 31 31 LYS HA H . . . 1 1 31 31 LYS HE3 H . . . . . 6.0 1.8 6.0 . . . . . A . 31 LYS HA . . A . 31 LYS HE3 . . . 31 . HA . . . . . 31 . HE1 . . rr_1wz5 1 214 1 . . 1 1 31 31 LYS HE2 H . . . 1 1 31 31 LYS HA H . . . . . 6.0 1.8 6.0 . . . . . A . 31 LYS HE2 . . A . 31 LYS HA . . . 31 . HE2 . . . . . 31 . HA . . rr_1wz5 1 215 1 OR . 1 1 31 31 LYS HA H . . . 1 1 31 31 LYS HE3 H . . . . . 5.4 1.8 5.4 . . . . . A . 31 LYS HA . . A . 31 LYS HE3 . . . 31 . HA . . . . . 31 . HE* . . rr_1wz5 1 215 2 OR . 1 1 31 31 LYS HE2 H . . . 1 1 31 31 LYS HA H . . . . . 5.4 1.8 5.4 . . . . . A . 31 LYS HE2 . . A . 31 LYS HA . . . 31 . HE* . . . . . 31 . HA . . rr_1wz5 1 216 1 . . 1 1 31 31 LYS HA H . . . 1 1 32 32 CYS H H . . . . . 2.4 1.8 2.4 . . . . . A . 31 LYS HA . . A . 32 CYS H . . . 31 . HA . . . . . 32 . HN . . rr_1wz5 1 217 1 OR . 1 1 31 31 LYS HB3 H . . . 1 1 31 31 LYS HE3 H . . . . . 6.5 1.8 6.5 . . . . . A . 31 LYS HB3 . . A . 31 LYS HE3 . . . 31 . HB* . . . . . 31 . HE* . . rr_1wz5 1 217 2 OR . 1 1 31 31 LYS HE2 H . . . 1 1 31 31 LYS HB2 H . . . . . 6.5 1.8 6.5 . . . . . A . 31 LYS HE2 . . A . 31 LYS HB2 . . . 31 . HE* . . . . . 31 . HB* . . rr_1wz5 1 217 3 OR . 1 1 31 31 LYS HE2 H . . . 1 1 31 31 LYS HB3 H . . . . . 6.5 1.8 6.5 . . . . . A . 31 LYS HE2 . . A . 31 LYS HB3 . . . 31 . HE* . . . . . 31 . HB* . . rr_1wz5 1 217 4 OR . 1 1 31 31 LYS HB2 H . . . 1 1 31 31 LYS HE3 H . . . . . 6.5 1.8 6.5 . . . . . A . 31 LYS HB2 . . A . 31 LYS HE3 . . . 31 . HB* . . . . . 31 . HE* . . rr_1wz5 1 218 1 OR . 1 1 32 32 CYS H H . . . 1 1 31 31 LYS HB2 H . . . . . 5.5 1.8 5.5 . . . . . A . 32 CYS H . . A . 31 LYS HB2 . . . 32 . HN . . . . . 31 . HB* . . rr_1wz5 1 218 2 OR . 1 1 32 32 CYS H H . . . 1 1 31 31 LYS HB3 H . . . . . 5.5 1.8 5.5 . . . . . A . 32 CYS H . . A . 31 LYS HB3 . . . 32 . HN . . . . . 31 . HB* . . rr_1wz5 1 219 1 . . 1 1 32 32 CYS H H . . . 1 1 32 32 CYS HB3 H . . . . . 3.4 1.8 3.4 . . . . . A . 32 CYS H . . A . 32 CYS HB3 . . . 32 . HN . . . . . 32 . HB1 . . rr_1wz5 1 220 1 . . 1 1 32 32 CYS H H . . . 1 1 32 32 CYS HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 32 CYS H . . A . 32 CYS HB2 . . . 32 . HN . . . . . 32 . HB2 . . rr_1wz5 1 221 1 OR . 1 1 32 32 CYS H H . . . 1 1 32 32 CYS HB2 H . . . . . 3.0 1.8 3.0 . . . . . A . 32 CYS H . . A . 32 CYS HB2 . . . 32 . HN . . . . . 32 . HB* . . rr_1wz5 1 221 2 OR . 1 1 32 32 CYS H H . . . 1 1 32 32 CYS HB3 H . . . . . 3.0 1.8 3.0 . . . . . A . 32 CYS H . . A . 32 CYS HB3 . . . 32 . HN . . . . . 32 . HB* . . rr_1wz5 1 222 1 . . 1 1 34 34 GLY H H . . . 1 1 32 32 CYS HA H . . . . . 4.4 1.8 4.4 . . . . . A . 34 GLY H . . A . 32 CYS HA . . . 34 . HN . . . . . 32 . HA . . rr_1wz5 1 223 1 . . 1 1 33 33 TYR H H . . . 1 1 32 32 CYS HB3 H . . . . . 5.4 1.8 5.4 . . . . . A . 33 TYR H . . A . 32 CYS HB3 . . . 33 . HN . . . . . 32 . HB1 . . rr_1wz5 1 224 1 . . 1 1 33 33 TYR H H . . . 1 1 32 32 CYS HB2 H . . . . . 5.4 1.8 5.4 . . . . . A . 33 TYR H . . A . 32 CYS HB2 . . . 33 . HN . . . . . 32 . HB2 . . rr_1wz5 1 225 1 OR . 1 1 33 33 TYR H H . . . 1 1 32 32 CYS HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 33 TYR H . . A . 32 CYS HB2 . . . 33 . HN . . . . . 32 . HB* . . rr_1wz5 1 225 2 OR . 1 1 33 33 TYR H H . . . 1 1 32 32 CYS HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 33 TYR H . . A . 32 CYS HB3 . . . 33 . HN . . . . . 32 . HB* . . rr_1wz5 1 226 1 . . 1 1 33 33 TYR H H . . . 1 1 33 33 TYR HB3 H . . . . . 3.4 1.8 3.4 . . . . . A . 33 TYR H . . A . 33 TYR HB3 . . . 33 . HN . . . . . 33 . HB1 . . rr_1wz5 1 227 1 . . 1 1 33 33 TYR H H . . . 1 1 33 33 TYR HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 33 TYR H . . A . 33 TYR HB2 . . . 33 . HN . . . . . 33 . HB2 . . rr_1wz5 1 228 1 OR . 1 1 33 33 TYR H H . . . 1 1 33 33 TYR HB3 H . . . . . 3.0 1.8 3.0 . . . . . A . 33 TYR H . . A . 33 TYR HB3 . . . 33 . HN . . . . . 33 . HB* . . rr_1wz5 1 228 2 OR . 1 1 33 33 TYR H H . . . 1 1 33 33 TYR HB2 H . . . . . 3.0 1.8 3.0 . . . . . A . 33 TYR H . . A . 33 TYR HB2 . . . 33 . HN . . . . . 33 . HB* . . rr_1wz5 1 229 1 . . 1 1 34 34 GLY H H . . . 1 1 33 33 TYR H H . . . . . 3.2 1.8 3.2 . . . . . A . 34 GLY H . . A . 33 TYR H . . . 34 . HN . . . . . 33 . HN . . rr_1wz5 1 230 1 . . 1 1 34 34 GLY H H . . . 1 1 33 33 TYR HB3 H . . . . . 5.3 1.8 5.3 . . . . . A . 34 GLY H . . A . 33 TYR HB3 . . . 34 . HN . . . . . 33 . HB1 . . rr_1wz5 1 231 1 . . 1 1 34 34 GLY H H . . . 1 1 33 33 TYR HB2 H . . . . . 5.3 1.8 5.3 . . . . . A . 34 GLY H . . A . 33 TYR HB2 . . . 34 . HN . . . . . 33 . HB2 . . rr_1wz5 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 131 1 "Not handling restraint 131, item 1, resonance(s) ' .20.HN' (nmrStar names) not linked" rr_1wz5 1 2 2 131 1 "Not handling restraint 131, item 1, resonance(s) ' .20.HN' (nmrStar names) not linked" rr_1wz5 1 3 2 133 1 "Not handling restraint 133, item 1, resonance(s) ' .20.HN' (nmrStar names),' .20.HB1' (nmrStar names) not linked" rr_1wz5 1 4 2 134 1 "Not handling restraint 134, item 1, resonance(s) ' .20.HN' (nmrStar names) not linked" rr_1wz5 1 5 2 135 1 "Not handling restraint 135, item 1, resonance(s) ' .20.HN' (nmrStar names),' .20.HB*' (nmrStar names) not linked" rr_1wz5 1 6 2 136 1 "Not handling restraint 136, item 1, resonance(s) ' .20.HN' (nmrStar names) not linked" rr_1wz5 1 7 2 137 1 "Not handling restraint 137, item 1, resonance(s) ' .20.HN' (nmrStar names) not linked" rr_1wz5 1 8 2 138 1 "Not handling restraint 138, item 1, resonance(s) ' .20.HN' (nmrStar names) not linked" rr_1wz5 1 9 2 138 1 "Not handling restraint 138, item 1, resonance(s) ' .20.HN' (nmrStar names) not linked" rr_1wz5 1 10 2 239 1 "Not handling restraint 239, item 1, resonance(s) ' .35.HN' (nmrStar names) not linked" rr_1wz5 1 11 2 240 1 "Not handling restraint 240, item 1, resonance(s) ' .35.HN' (nmrStar names) not linked" rr_1wz5 1 12 2 241 1 "Not handling restraint 241, item 1, resonance(s) ' .35.HN' (nmrStar names) not linked" rr_1wz5 1 13 2 242 1 "Not handling restraint 242, item 1, resonance(s) ' .35.HN' (nmrStar names) not linked" rr_1wz5 1 14 2 242 1 "Not handling restraint 242, item 1, resonance(s) ' .35.HN' (nmrStar names) not linked" rr_1wz5 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_1wz5 _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 TOXIN 24-FEB-05 1WZ5 *TITLE SOLUTION STRUCTURE OF PI1-3P *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: POTASSIUM CHANNEL BLOCKING TOXIN 1; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: PI1-3P, PI1, PI-1, PITX-K-GAMMA, ALPHA-KTX 6.1 *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: PANDINUS IMPERATOR; *SOURCE 3 ORGANISM_COMMON: EMPEROR SCORPION *KEYWDS IONIC CHANNEL INHIBITOR, TOXIN *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR G.FERRAT *REVDAT 1 19-APR-05 1WZ5 0' save_