data_Remediated_restraints_file_for_PDB_entry_1v4z # This BMRB archive file contains, for PDB entry 1v4z: # # - 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_1v4z _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1v4z' _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 1v4z' _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 1v4z 'Master copy' rr_1v4z stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1v4z _Assembly.ID 1 _Assembly.Name 1v4z _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 2078.3975 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 Calgizzarin 1 $Calgizzarin A . no . . . . . . rr_1v4z 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Calgizzarin _Entity.Sf_category entity _Entity.Sf_framecode Calgizzarin _Entity.Entry_ID rr_1v4z _Entity.ID 1 _Entity.Name Calgizzarin _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code MAKISSPTETERCIESLIA _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Number_of_monomers 19 _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 2078.3975 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 . MET . rr_1v4z 1 2 . ALA . rr_1v4z 1 3 . LYS . rr_1v4z 1 4 . ILE . rr_1v4z 1 5 . SER . rr_1v4z 1 6 . SER . rr_1v4z 1 7 . PRO . rr_1v4z 1 8 . THR . rr_1v4z 1 9 . GLU . rr_1v4z 1 10 . THR . rr_1v4z 1 11 . GLU . rr_1v4z 1 12 . ARG . rr_1v4z 1 13 . CYS . rr_1v4z 1 14 . ILE . rr_1v4z 1 15 . GLU . rr_1v4z 1 16 . SER . rr_1v4z 1 17 . LEU . rr_1v4z 1 18 . ILE . rr_1v4z 1 19 . ALA . rr_1v4z 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 . MET 1 1 rr_1v4z 1 . ALA 2 2 rr_1v4z 1 . LYS 3 3 rr_1v4z 1 . ILE 4 4 rr_1v4z 1 . SER 5 5 rr_1v4z 1 . SER 6 6 rr_1v4z 1 . PRO 7 7 rr_1v4z 1 . THR 8 8 rr_1v4z 1 . GLU 9 9 rr_1v4z 1 . THR 10 10 rr_1v4z 1 . GLU 11 11 rr_1v4z 1 . ARG 12 12 rr_1v4z 1 . CYS 13 13 rr_1v4z 1 . ILE 14 14 rr_1v4z 1 . GLU 15 15 rr_1v4z 1 . SER 16 16 rr_1v4z 1 . LEU 17 17 rr_1v4z 1 . ILE 18 18 rr_1v4z 1 . ALA 19 19 rr_1v4z 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID rr_1v4z _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_1v4z _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_1v4z 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_1v4z 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 3 LYS C C -11.158 2.405 -1.102 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . rr_1v4z 1 . 1 . 2 . 1 1 3 LYS CA C -11.670 3.342 -2.207 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . rr_1v4z 1 . 1 . 3 . 1 1 3 LYS CB C -11.799 4.785 -1.690 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . rr_1v4z 1 . 1 . 4 . 1 1 3 LYS CD C -14.050 5.596 -0.936 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . rr_1v4z 1 . 1 . 5 . 1 1 3 LYS CE C -13.817 7.109 -0.841 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . rr_1v4z 1 . 1 . 6 . 1 1 3 LYS CG C -12.780 4.853 -0.509 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . rr_1v4z 1 . 1 . 7 . 1 1 3 LYS H H -13.462 3.694 -3.225 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H . . . . . . . . . rr_1v4z 1 . 1 . 8 . 1 1 3 LYS HA H -10.996 3.319 -3.050 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . rr_1v4z 1 . 1 . 9 . 1 1 3 LYS HB2 H -10.829 5.135 -1.367 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . rr_1v4z 1 . 1 . 10 . 1 1 3 LYS HB3 H -12.157 5.419 -2.488 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . rr_1v4z 1 . 1 . 11 . 1 1 3 LYS HD2 H -14.296 5.332 -1.954 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . rr_1v4z 1 . 1 . 12 . 1 1 3 LYS HD3 H -14.865 5.319 -0.284 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . rr_1v4z 1 . 1 . 13 . 1 1 3 LYS HE2 H -14.038 7.459 0.158 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . rr_1v4z 1 . 1 . 14 . 1 1 3 LYS HE3 H -12.800 7.350 -1.109 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . rr_1v4z 1 . 1 . 15 . 1 1 3 LYS HG2 H -13.039 3.853 -0.195 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . rr_1v4z 1 . 1 . 16 . 1 1 3 LYS HG3 H -12.317 5.379 0.312 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . rr_1v4z 1 . 1 . 17 . 1 1 3 LYS HZ1 H -14.666 8.748 -1.806 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . rr_1v4z 1 . 1 . 18 . 1 1 3 LYS HZ2 H -15.737 7.449 -1.578 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . rr_1v4z 1 . 1 . 19 . 1 1 3 LYS HZ3 H -14.538 7.366 -2.780 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . rr_1v4z 1 . 1 . 20 . 1 1 3 LYS N N -13.045 2.939 -2.644 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . rr_1v4z 1 . 1 . 21 . 1 1 3 LYS NZ N -14.761 7.713 -1.826 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . rr_1v4z 1 . 1 . 22 . 1 1 3 LYS O O -11.924 1.902 -0.300 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . rr_1v4z 1 . 1 . 23 . 1 1 4 ILE C C -10.003 -0.075 0.002 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1v4z 1 . 1 . 24 . 1 1 4 ILE CA C -9.261 1.270 -0.028 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1v4z 1 . 1 . 25 . 1 1 4 ILE CB C -9.423 2.006 1.300 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1v4z 1 . 1 . 26 . 1 1 4 ILE CD1 C -7.330 3.338 0.821 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1v4z 1 . 1 . 27 . 1 1 4 ILE CG1 C -8.808 3.417 1.226 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1v4z 1 . 1 . 28 . 1 1 4 ILE CG2 C -8.729 1.204 2.401 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1v4z 1 . 1 . 29 . 1 1 4 ILE H H -9.279 2.590 -1.725 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1v4z 1 . 1 . 30 . 1 1 4 ILE HA H -8.214 1.112 -0.235 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1v4z 1 . 1 . 31 . 1 1 4 ILE HB H -10.473 2.079 1.516 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1v4z 1 . 1 . 32 . 1 1 4 ILE HD11 H -7.047 2.306 0.681 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1v4z 1 . 1 . 33 . 1 1 4 ILE HD12 H -6.721 3.776 1.598 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1v4z 1 . 1 . 34 . 1 1 4 ILE HD13 H -7.180 3.881 -0.101 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1v4z 1 . 1 . 35 . 1 1 4 ILE HG12 H -9.348 4.007 0.500 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1v4z 1 . 1 . 36 . 1 1 4 ILE HG13 H -8.886 3.889 2.194 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1v4z 1 . 1 . 37 . 1 1 4 ILE HG21 H -7.912 1.779 2.808 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1v4z 1 . 1 . 38 . 1 1 4 ILE HG22 H -8.349 0.283 1.982 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1v4z 1 . 1 . 39 . 1 1 4 ILE HG23 H -9.438 0.978 3.183 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1v4z 1 . 1 . 40 . 1 1 4 ILE N N -9.862 2.171 -1.065 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1v4z 1 . 1 . 41 . 1 1 4 ILE O O -10.560 -0.481 1.007 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1v4z 1 . 1 . 42 . 1 1 5 SER C C -10.035 -3.130 -0.315 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_1v4z 1 . 1 . 43 . 1 1 5 SER CA C -10.722 -2.073 -1.196 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_1v4z 1 . 1 . 44 . 1 1 5 SER CB C -10.651 -2.473 -2.675 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_1v4z 1 . 1 . 45 . 1 1 5 SER H H -9.568 -0.382 -1.889 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_1v4z 1 . 1 . 46 . 1 1 5 SER HA H -11.753 -1.961 -0.901 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_1v4z 1 . 1 . 47 . 1 1 5 SER HB2 H -11.085 -3.449 -2.806 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_1v4z 1 . 1 . 48 . 1 1 5 SER HB3 H -11.206 -1.755 -3.266 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_1v4z 1 . 1 . 49 . 1 1 5 SER HG H -9.281 -2.487 -4.059 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_1v4z 1 . 1 . 50 . 1 1 5 SER N N -10.017 -0.752 -1.107 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_1v4z 1 . 1 . 51 . 1 1 5 SER O O -10.687 -3.829 0.438 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_1v4z 1 . 1 . 52 . 1 1 5 SER OG O -9.293 -2.506 -3.099 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_1v4z 1 . 1 . 53 . 1 1 6 SER C C -6.810 -3.648 1.145 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . rr_1v4z 1 . 1 . 54 . 1 1 6 SER CA C -8.009 -4.279 0.420 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . rr_1v4z 1 . 1 . 55 . 1 1 6 SER CB C -7.536 -5.337 -0.582 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . rr_1v4z 1 . 1 . 56 . 1 1 6 SER H H -8.224 -2.690 -1.025 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . rr_1v4z 1 . 1 . 57 . 1 1 6 SER HA H -8.682 -4.728 1.133 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . rr_1v4z 1 . 1 . 58 . 1 1 6 SER HB2 H -7.003 -6.114 -0.061 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . rr_1v4z 1 . 1 . 59 . 1 1 6 SER HB3 H -8.395 -5.766 -1.082 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . rr_1v4z 1 . 1 . 60 . 1 1 6 SER HG H -7.164 -4.605 -2.349 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . rr_1v4z 1 . 1 . 61 . 1 1 6 SER N N -8.730 -3.259 -0.407 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . rr_1v4z 1 . 1 . 62 . 1 1 6 SER O O -6.278 -2.644 0.706 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . rr_1v4z 1 . 1 . 63 . 1 1 6 SER OG O -6.668 -4.735 -1.537 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . rr_1v4z 1 . 1 . 64 . 1 1 7 PRO C C -3.939 -3.994 2.278 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . rr_1v4z 1 . 1 . 65 . 1 1 7 PRO CA C -5.261 -3.779 3.033 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . rr_1v4z 1 . 1 . 66 . 1 1 7 PRO CB C -5.312 -4.629 4.302 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . rr_1v4z 1 . 1 . 67 . 1 1 7 PRO CD C -7.009 -5.485 2.823 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . rr_1v4z 1 . 1 . 68 . 1 1 7 PRO CG C -6.034 -5.875 3.901 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . rr_1v4z 1 . 1 . 69 . 1 1 7 PRO HA H -5.390 -2.739 3.284 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . rr_1v4z 1 . 1 . 70 . 1 1 7 PRO HB2 H -4.310 -4.863 4.637 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . rr_1v4z 1 . 1 . 71 . 1 1 7 PRO HB3 H -5.860 -4.117 5.077 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . rr_1v4z 1 . 1 . 72 . 1 1 7 PRO HD2 H -7.088 -6.270 2.083 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . rr_1v4z 1 . 1 . 73 . 1 1 7 PRO HD3 H -7.975 -5.260 3.246 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . rr_1v4z 1 . 1 . 74 . 1 1 7 PRO HG2 H -5.331 -6.603 3.521 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . rr_1v4z 1 . 1 . 75 . 1 1 7 PRO HG3 H -6.569 -6.281 4.745 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . rr_1v4z 1 . 1 . 76 . 1 1 7 PRO N N -6.418 -4.272 2.235 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . rr_1v4z 1 . 1 . 77 . 1 1 7 PRO O O -2.980 -3.274 2.489 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . rr_1v4z 1 . 1 . 78 . 1 1 8 THR C C -2.223 -3.973 -0.168 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_1v4z 1 . 1 . 79 . 1 1 8 THR CA C -2.625 -5.229 0.620 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_1v4z 1 . 1 . 80 . 1 1 8 THR CB C -2.954 -6.383 -0.339 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_1v4z 1 . 1 . 81 . 1 1 8 THR CG2 C -3.127 -7.680 0.454 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_1v4z 1 . 1 . 82 . 1 1 8 THR H H -4.671 -5.535 1.243 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_1v4z 1 . 1 . 83 . 1 1 8 THR HA H -1.828 -5.521 1.285 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_1v4z 1 . 1 . 84 . 1 1 8 THR HB H -2.145 -6.506 -1.043 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_1v4z 1 . 1 . 85 . 1 1 8 THR HG1 H -3.916 -5.757 -1.912 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_1v4z 1 . 1 . 86 . 1 1 8 THR HG21 H -2.269 -7.829 1.093 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_1v4z 1 . 1 . 87 . 1 1 8 THR HG22 H -3.216 -8.511 -0.230 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_1v4z 1 . 1 . 88 . 1 1 8 THR HG23 H -4.020 -7.616 1.059 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_1v4z 1 . 1 . 89 . 1 1 8 THR N N -3.883 -4.973 1.397 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_1v4z 1 . 1 . 90 . 1 1 8 THR O O -1.052 -3.680 -0.322 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_1v4z 1 . 1 . 91 . 1 1 8 THR OG1 O -4.155 -6.095 -1.046 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_1v4z 1 . 1 . 92 . 1 1 9 GLU C C -2.130 -0.989 -0.510 . . . 1.0 . . . . . . . . . . . . A . 7 GLU C . . . . . . . . . rr_1v4z 1 . 1 . 93 . 1 1 9 GLU CA C -2.873 -1.976 -1.419 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CA . . . . . . . . . rr_1v4z 1 . 1 . 94 . 1 1 9 GLU CB C -4.229 -1.401 -1.845 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CB . . . . . . . . . rr_1v4z 1 . 1 . 95 . 1 1 9 GLU CD C -4.200 -2.126 -4.245 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CD . . . . . . . . . rr_1v4z 1 . 1 . 96 . 1 1 9 GLU CG C -4.881 -2.318 -2.887 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CG . . . . . . . . . rr_1v4z 1 . 1 . 97 . 1 1 9 GLU H H -4.125 -3.481 -0.506 . . . 1.0 . . . . . . . . . . . . A . 7 GLU H . . . . . . . . . rr_1v4z 1 . 1 . 98 . 1 1 9 GLU HA H -2.278 -2.208 -2.288 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HA . . . . . . . . . rr_1v4z 1 . 1 . 99 . 1 1 9 GLU HB2 H -4.874 -1.324 -0.981 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HB2 . . . . . . . . . rr_1v4z 1 . 1 . 100 . 1 1 9 GLU HB3 H -4.085 -0.420 -2.273 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HB3 . . . . . . . . . rr_1v4z 1 . 1 . 101 . 1 1 9 GLU HG2 H -4.778 -3.347 -2.574 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HG2 . . . . . . . . . rr_1v4z 1 . 1 . 102 . 1 1 9 GLU HG3 H -5.929 -2.073 -2.975 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HG3 . . . . . . . . . rr_1v4z 1 . 1 . 103 . 1 1 9 GLU N N -3.190 -3.225 -0.654 . . . 1.0 . . . . . . . . . . . . A . 7 GLU N . . . . . . . . . rr_1v4z 1 . 1 . 104 . 1 1 9 GLU O O -1.146 -0.391 -0.907 . . . 1.0 . . . . . . . . . . . . A . 7 GLU O . . . . . . . . . rr_1v4z 1 . 1 . 105 . 1 1 9 GLU OE1 O -4.584 -1.212 -4.956 . . . 1.0 . . . . . . . . . . . . A . 7 GLU OE1 . . . . . . . . . rr_1v4z 1 . 1 . 106 . 1 1 9 GLU OE2 O -3.305 -2.898 -4.551 . . . 1.0 . . . . . . . . . . . . A . 7 GLU OE2 . . . . . . . . . rr_1v4z 1 . 1 . 107 . 1 1 10 THR C C -0.498 -0.406 1.975 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . rr_1v4z 1 . 1 . 108 . 1 1 10 THR CA C -1.911 0.104 1.662 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . rr_1v4z 1 . 1 . 109 . 1 1 10 THR CB C -2.776 0.098 2.930 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . rr_1v4z 1 . 1 . 110 . 1 1 10 THR CG2 C -2.623 1.436 3.638 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . rr_1v4z 1 . 1 . 111 . 1 1 10 THR H H -3.377 -1.324 1.008 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . rr_1v4z 1 . 1 . 112 . 1 1 10 THR HA H -1.868 1.100 1.247 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . rr_1v4z 1 . 1 . 113 . 1 1 10 THR HB H -2.446 -0.690 3.589 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . rr_1v4z 1 . 1 . 114 . 1 1 10 THR HG1 H -4.426 0.607 2.015 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . rr_1v4z 1 . 1 . 115 . 1 1 10 THR HG21 H -1.604 1.778 3.535 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . rr_1v4z 1 . 1 . 116 . 1 1 10 THR HG22 H -2.864 1.320 4.683 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . rr_1v4z 1 . 1 . 117 . 1 1 10 THR HG23 H -3.291 2.153 3.189 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . rr_1v4z 1 . 1 . 118 . 1 1 10 THR N N -2.588 -0.826 0.711 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . rr_1v4z 1 . 1 . 119 . 1 1 10 THR O O 0.436 0.365 2.066 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . rr_1v4z 1 . 1 . 120 . 1 1 10 THR OG1 O -4.148 -0.107 2.595 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . rr_1v4z 1 . 1 . 121 . 1 1 11 GLU C C 1.983 -1.898 1.267 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . rr_1v4z 1 . 1 . 122 . 1 1 11 GLU CA C 1.028 -2.256 2.409 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . rr_1v4z 1 . 1 . 123 . 1 1 11 GLU CB C 0.842 -3.774 2.495 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . rr_1v4z 1 . 1 . 124 . 1 1 11 GLU CD C -0.421 -5.502 3.792 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . rr_1v4z 1 . 1 . 125 . 1 1 11 GLU CG C 0.289 -4.147 3.873 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . rr_1v4z 1 . 1 . 126 . 1 1 11 GLU H H -1.100 -2.305 2.034 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . rr_1v4z 1 . 1 . 127 . 1 1 11 GLU HA H 1.400 -1.874 3.338 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . rr_1v4z 1 . 1 . 128 . 1 1 11 GLU HB2 H 0.152 -4.096 1.730 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . rr_1v4z 1 . 1 . 129 . 1 1 11 GLU HB3 H 1.795 -4.261 2.349 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . rr_1v4z 1 . 1 . 130 . 1 1 11 GLU HG2 H 1.102 -4.207 4.582 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . rr_1v4z 1 . 1 . 131 . 1 1 11 GLU HG3 H -0.414 -3.393 4.194 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . rr_1v4z 1 . 1 . 132 . 1 1 11 GLU N N -0.333 -1.700 2.123 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . rr_1v4z 1 . 1 . 133 . 1 1 11 GLU O O 3.150 -1.631 1.478 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . rr_1v4z 1 . 1 . 134 . 1 1 11 GLU OE1 O 0.262 -6.500 3.630 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . rr_1v4z 1 . 1 . 135 . 1 1 11 GLU OE2 O -1.637 -5.519 3.894 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . rr_1v4z 1 . 1 . 136 . 1 1 12 ARG C C 2.626 -0.025 -1.147 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . rr_1v4z 1 . 1 . 137 . 1 1 12 ARG CA C 2.321 -1.530 -1.122 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . rr_1v4z 1 . 1 . 138 . 1 1 12 ARG CB C 1.489 -1.931 -2.345 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . rr_1v4z 1 . 1 . 139 . 1 1 12 ARG CD C 3.108 -3.300 -3.684 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . rr_1v4z 1 . 1 . 140 . 1 1 12 ARG CG C 1.866 -3.350 -2.781 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . rr_1v4z 1 . 1 . 141 . 1 1 12 ARG CZ C 2.639 -5.340 -4.922 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . rr_1v4z 1 . 1 . 142 . 1 1 12 ARG H H 0.529 -2.092 -0.060 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . rr_1v4z 1 . 1 . 143 . 1 1 12 ARG HA H 3.239 -2.095 -1.104 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . rr_1v4z 1 . 1 . 144 . 1 1 12 ARG HB2 H 0.439 -1.899 -2.093 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . rr_1v4z 1 . 1 . 145 . 1 1 12 ARG HB3 H 1.684 -1.244 -3.155 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . rr_1v4z 1 . 1 . 146 . 1 1 12 ARG HD2 H 3.362 -2.275 -3.914 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . rr_1v4z 1 . 1 . 147 . 1 1 12 ARG HD3 H 3.939 -3.793 -3.203 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . rr_1v4z 1 . 1 . 148 . 1 1 12 ARG HE H 2.560 -3.536 -5.758 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . rr_1v4z 1 . 1 . 149 . 1 1 12 ARG HG2 H 2.079 -3.948 -1.907 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . rr_1v4z 1 . 1 . 150 . 1 1 12 ARG HG3 H 1.042 -3.789 -3.324 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . rr_1v4z 1 . 1 . 151 . 1 1 12 ARG HH11 H 4.622 -5.634 -4.994 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . rr_1v4z 1 . 1 . 152 . 1 1 12 ARG HH12 H 3.655 -7.070 -4.954 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . rr_1v4z 1 . 1 . 153 . 1 1 12 ARG HH21 H 0.635 -5.353 -4.853 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . rr_1v4z 1 . 1 . 154 . 1 1 12 ARG HH22 H 1.392 -6.910 -4.874 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . rr_1v4z 1 . 1 . 155 . 1 1 12 ARG N N 1.476 -1.880 0.062 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . rr_1v4z 1 . 1 . 156 . 1 1 12 ARG NE N 2.731 -4.034 -4.929 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . rr_1v4z 1 . 1 . 157 . 1 1 12 ARG NH1 N 3.724 -6.072 -4.959 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . rr_1v4z 1 . 1 . 158 . 1 1 12 ARG NH2 N 1.463 -5.912 -4.879 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . rr_1v4z 1 . 1 . 159 . 1 1 12 ARG O O 3.671 0.387 -1.615 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . rr_1v4z 1 . 1 . 160 . 1 1 13 CYS C C 2.964 2.636 0.504 . . . 1.0 . . . . . . . . . . . . A . 11 CYS C . . . . . . . . . rr_1v4z 1 . 1 . 161 . 1 1 13 CYS CA C 1.996 2.277 -0.636 . . . 1.0 . . . . . . . . . . . . A . 11 CYS CA . . . . . . . . . rr_1v4z 1 . 1 . 162 . 1 1 13 CYS CB C 0.628 2.961 -0.454 . . . 1.0 . . . . . . . . . . . . A . 11 CYS CB . . . . . . . . . rr_1v4z 1 . 1 . 163 . 1 1 13 CYS H H 0.901 0.445 -0.257 . . . 1.0 . . . . . . . . . . . . A . 11 CYS H . . . . . . . . . rr_1v4z 1 . 1 . 164 . 1 1 13 CYS HA H 2.424 2.573 -1.582 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HA . . . . . . . . . rr_1v4z 1 . 1 . 165 . 1 1 13 CYS HB2 H 0.679 3.960 -0.853 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HB2 . . . . . . . . . rr_1v4z 1 . 1 . 166 . 1 1 13 CYS HB3 H -0.129 2.406 -0.988 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HB3 . . . . . . . . . rr_1v4z 1 . 1 . 167 . 1 1 13 CYS HG H 0.626 3.817 1.678 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HG . . . . . . . . . rr_1v4z 1 . 1 . 168 . 1 1 13 CYS N N 1.733 0.799 -0.641 . . . 1.0 . . . . . . . . . . . . A . 11 CYS N . . . . . . . . . rr_1v4z 1 . 1 . 169 . 1 1 13 CYS O O 3.722 3.581 0.406 . . . 1.0 . . . . . . . . . . . . A . 11 CYS O . . . . . . . . . rr_1v4z 1 . 1 . 170 . 1 1 13 CYS SG S 0.185 3.053 1.300 . . . 1.0 . . . . . . . . . . . . A . 11 CYS SG . . . . . . . . . rr_1v4z 1 . 1 . 171 . 1 1 14 ILE C C 5.287 1.637 2.359 . . . 1.0 . . . . . . . . . . . . A . 12 ILE C . . . . . . . . . rr_1v4z 1 . 1 . 172 . 1 1 14 ILE CA C 3.885 2.148 2.713 . . . 1.0 . . . . . . . . . . . . A . 12 ILE CA . . . . . . . . . rr_1v4z 1 . 1 . 173 . 1 1 14 ILE CB C 3.312 1.369 3.907 . . . 1.0 . . . . . . . . . . . . A . 12 ILE CB . . . . . . . . . rr_1v4z 1 . 1 . 174 . 1 1 14 ILE CD1 C 1.231 1.001 5.253 . . . 1.0 . . . . . . . . . . . . A . 12 ILE CD1 . . . . . . . . . rr_1v4z 1 . 1 . 175 . 1 1 14 ILE CG1 C 1.951 1.956 4.298 . . . 1.0 . . . . . . . . . . . . A . 12 ILE CG1 . . . . . . . . . rr_1v4z 1 . 1 . 176 . 1 1 14 ILE CG2 C 4.270 1.474 5.099 . . . 1.0 . . . . . . . . . . . . A . 12 ILE CG2 . . . . . . . . . rr_1v4z 1 . 1 . 177 . 1 1 14 ILE H H 2.343 1.110 1.622 . . . 1.0 . . . . . . . . . . . . A . 12 ILE H . . . . . . . . . rr_1v4z 1 . 1 . 178 . 1 1 14 ILE HA H 3.912 3.202 2.935 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HA . . . . . . . . . rr_1v4z 1 . 1 . 179 . 1 1 14 ILE HB H 3.193 0.330 3.633 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HB . . . . . . . . . rr_1v4z 1 . 1 . 180 . 1 1 14 ILE HD11 H 1.200 0.012 4.819 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HD11 . . . . . . . . . rr_1v4z 1 . 1 . 181 . 1 1 14 ILE HD12 H 0.223 1.351 5.421 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HD12 . . . . . . . . . rr_1v4z 1 . 1 . 182 . 1 1 14 ILE HD13 H 1.760 0.965 6.194 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HD13 . . . . . . . . . rr_1v4z 1 . 1 . 183 . 1 1 14 ILE HG12 H 2.101 2.906 4.781 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HG12 . . . . . . . . . rr_1v4z 1 . 1 . 184 . 1 1 14 ILE HG13 H 1.350 2.097 3.414 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HG13 . . . . . . . . . rr_1v4z 1 . 1 . 185 . 1 1 14 ILE HG21 H 5.187 0.950 4.872 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HG21 . . . . . . . . . rr_1v4z 1 . 1 . 186 . 1 1 14 ILE HG22 H 3.811 1.032 5.971 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HG22 . . . . . . . . . rr_1v4z 1 . 1 . 187 . 1 1 14 ILE HG23 H 4.489 2.513 5.296 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HG23 . . . . . . . . . rr_1v4z 1 . 1 . 188 . 1 1 14 ILE N N 2.954 1.873 1.574 . . . 1.0 . . . . . . . . . . . . A . 12 ILE N . . . . . . . . . rr_1v4z 1 . 1 . 189 . 1 1 14 ILE O O 6.276 2.317 2.561 . . . 1.0 . . . . . . . . . . . . A . 12 ILE O . . . . . . . . . rr_1v4z 1 . 1 . 190 . 1 1 15 GLU C C 7.380 0.723 0.378 . . . 1.0 . . . . . . . . . . . . A . 13 GLU C . . . . . . . . . rr_1v4z 1 . 1 . 191 . 1 1 15 GLU CA C 6.689 -0.148 1.440 . . . 1.0 . . . . . . . . . . . . A . 13 GLU CA . . . . . . . . . rr_1v4z 1 . 1 . 192 . 1 1 15 GLU CB C 6.362 -1.530 0.863 . . . 1.0 . . . . . . . . . . . . A . 13 GLU CB . . . . . . . . . rr_1v4z 1 . 1 . 193 . 1 1 15 GLU CD C 5.759 -3.891 1.442 . . . 1.0 . . . . . . . . . . . . A . 13 GLU CD . . . . . . . . . rr_1v4z 1 . 1 . 194 . 1 1 15 GLU CG C 6.232 -2.546 2.003 . . . 1.0 . . . . . . . . . . . . A . 13 GLU CG . . . . . . . . . rr_1v4z 1 . 1 . 195 . 1 1 15 GLU H H 4.542 -0.073 1.679 . . . 1.0 . . . . . . . . . . . . A . 13 GLU H . . . . . . . . . rr_1v4z 1 . 1 . 196 . 1 1 15 GLU HA H 7.320 -0.255 2.309 . . . 1.0 . . . . . . . . . . . . A . 13 GLU HA . . . . . . . . . rr_1v4z 1 . 1 . 197 . 1 1 15 GLU HB2 H 5.431 -1.481 0.316 . . . 1.0 . . . . . . . . . . . . A . 13 GLU HB2 . . . . . . . . . rr_1v4z 1 . 1 . 198 . 1 1 15 GLU HB3 H 7.154 -1.839 0.198 . . . 1.0 . . . . . . . . . . . . A . 13 GLU HB3 . . . . . . . . . rr_1v4z 1 . 1 . 199 . 1 1 15 GLU HG2 H 7.193 -2.673 2.481 . . . 1.0 . . . . . . . . . . . . A . 13 GLU HG2 . . . . . . . . . rr_1v4z 1 . 1 . 200 . 1 1 15 GLU HG3 H 5.515 -2.187 2.725 . . . 1.0 . . . . . . . . . . . . A . 13 GLU HG3 . . . . . . . . . rr_1v4z 1 . 1 . 201 . 1 1 15 GLU N N 5.364 0.440 1.827 . . . 1.0 . . . . . . . . . . . . A . 13 GLU N . . . . . . . . . rr_1v4z 1 . 1 . 202 . 1 1 15 GLU O O 8.581 0.916 0.416 . . . 1.0 . . . . . . . . . . . . A . 13 GLU O . . . . . . . . . rr_1v4z 1 . 1 . 203 . 1 1 15 GLU OE1 O 6.596 -4.639 0.963 . . . 1.0 . . . . . . . . . . . . A . 13 GLU OE1 . . . . . . . . . rr_1v4z 1 . 1 . 204 . 1 1 15 GLU OE2 O 4.568 -4.151 1.503 . . . 1.0 . . . . . . . . . . . . A . 13 GLU OE2 . . . . . . . . . rr_1v4z 1 . 1 . 205 . 1 1 16 SER C C 7.772 3.419 -1.016 . . . 1.0 . . . . . . . . . . . . A . 14 SER C . . . . . . . . . rr_1v4z 1 . 1 . 206 . 1 1 16 SER CA C 7.240 2.114 -1.626 . . . 1.0 . . . . . . . . . . . . A . 14 SER CA . . . . . . . . . rr_1v4z 1 . 1 . 207 . 1 1 16 SER CB C 6.111 2.400 -2.623 . . . 1.0 . . . . . . . . . . . . A . 14 SER CB . . . . . . . . . rr_1v4z 1 . 1 . 208 . 1 1 16 SER H H 5.664 1.085 -0.572 . . . 1.0 . . . . . . . . . . . . A . 14 SER H . . . . . . . . . rr_1v4z 1 . 1 . 209 . 1 1 16 SER HA H 8.038 1.583 -2.122 . . . 1.0 . . . . . . . . . . . . A . 14 SER HA . . . . . . . . . rr_1v4z 1 . 1 . 210 . 1 1 16 SER HB2 H 6.449 3.113 -3.349 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB2 . . . . . . . . . rr_1v4z 1 . 1 . 211 . 1 1 16 SER HB3 H 5.834 1.483 -3.128 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB3 . . . . . . . . . rr_1v4z 1 . 1 . 212 . 1 1 16 SER HG H 4.956 3.880 -2.107 . . . 1.0 . . . . . . . . . . . . A . 14 SER HG . . . . . . . . . rr_1v4z 1 . 1 . 213 . 1 1 16 SER N N 6.630 1.252 -0.565 . . . 1.0 . . . . . . . . . . . . A . 14 SER N . . . . . . . . . rr_1v4z 1 . 1 . 214 . 1 1 16 SER O O 8.835 3.887 -1.378 . . . 1.0 . . . . . . . . . . . . A . 14 SER O . . . . . . . . . rr_1v4z 1 . 1 . 215 . 1 1 16 SER OG O 4.986 2.936 -1.936 . . . 1.0 . . . . . . . . . . . . A . 14 SER OG . . . . . . . . . rr_1v4z 1 . 1 . 216 . 1 1 17 LEU C C 8.822 5.012 1.337 . . . 1.0 . . . . . . . . . . . . A . 15 LEU C . . . . . . . . . rr_1v4z 1 . 1 . 217 . 1 1 17 LEU CA C 7.521 5.271 0.561 . . . 1.0 . . . . . . . . . . . . A . 15 LEU CA . . . . . . . . . rr_1v4z 1 . 1 . 218 . 1 1 17 LEU CB C 6.401 5.690 1.523 . . . 1.0 . . . . . . . . . . . . A . 15 LEU CB . . . . . . . . . rr_1v4z 1 . 1 . 219 . 1 1 17 LEU CD1 C 4.011 6.419 1.628 . . . 1.0 . . . . . . . . . . . . A . 15 LEU CD1 . . . . . . . . . rr_1v4z 1 . 1 . 220 . 1 1 17 LEU CD2 C 5.660 7.746 0.300 . . . 1.0 . . . . . . . . . . . . A . 15 LEU CD2 . . . . . . . . . rr_1v4z 1 . 1 . 221 . 1 1 17 LEU CG C 5.254 6.335 0.738 . . . 1.0 . . . . . . . . . . . . A . 15 LEU CG . . . . . . . . . rr_1v4z 1 . 1 . 222 . 1 1 17 LEU H H 6.198 3.598 0.195 . . . 1.0 . . . . . . . . . . . . A . 15 LEU H . . . . . . . . . rr_1v4z 1 . 1 . 223 . 1 1 17 LEU HA H 7.674 6.037 -0.183 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HA . . . . . . . . . rr_1v4z 1 . 1 . 224 . 1 1 17 LEU HB2 H 6.034 4.821 2.049 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HB2 . . . . . . . . . rr_1v4z 1 . 1 . 225 . 1 1 17 LEU HB3 H 6.789 6.402 2.237 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HB3 . . . . . . . . . rr_1v4z 1 . 1 . 226 . 1 1 17 LEU HD11 H 4.191 7.116 2.433 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD11 . . . . . . . . . rr_1v4z 1 . 1 . 227 . 1 1 17 LEU HD12 H 3.795 5.444 2.038 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD12 . . . . . . . . . rr_1v4z 1 . 1 . 228 . 1 1 17 LEU HD13 H 3.170 6.757 1.040 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD13 . . . . . . . . . rr_1v4z 1 . 1 . 229 . 1 1 17 LEU HD21 H 4.820 8.232 -0.173 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD21 . . . . . . . . . rr_1v4z 1 . 1 . 230 . 1 1 17 LEU HD22 H 6.480 7.683 -0.400 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD22 . . . . . . . . . rr_1v4z 1 . 1 . 231 . 1 1 17 LEU HD23 H 5.967 8.317 1.164 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD23 . . . . . . . . . rr_1v4z 1 . 1 . 232 . 1 1 17 LEU HG H 5.032 5.735 -0.133 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HG . . . . . . . . . rr_1v4z 1 . 1 . 233 . 1 1 17 LEU N N 7.048 4.001 -0.084 . . . 1.0 . . . . . . . . . . . . A . 15 LEU N . . . . . . . . . rr_1v4z 1 . 1 . 234 . 1 1 17 LEU O O 9.703 5.850 1.380 . . . 1.0 . . . . . . . . . . . . A . 15 LEU O . . . . . . . . . rr_1v4z 1 . 1 . 235 . 1 1 18 ILE C C 11.370 3.344 1.736 . . . 1.0 . . . . . . . . . . . . A . 16 ILE C . . . . . . . . . rr_1v4z 1 . 1 . 236 . 1 1 18 ILE CA C 10.190 3.514 2.705 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CA . . . . . . . . . rr_1v4z 1 . 1 . 237 . 1 1 18 ILE CB C 9.882 2.190 3.426 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CB . . . . . . . . . rr_1v4z 1 . 1 . 238 . 1 1 18 ILE CD1 C 8.182 1.120 4.928 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CD1 . . . . . . . . . rr_1v4z 1 . 1 . 239 . 1 1 18 ILE CG1 C 8.865 2.437 4.550 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CG1 . . . . . . . . . rr_1v4z 1 . 1 . 240 . 1 1 18 ILE CG2 C 11.162 1.606 4.028 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CG2 . . . . . . . . . rr_1v4z 1 . 1 . 241 . 1 1 18 ILE H H 8.218 3.195 1.874 . . . 1.0 . . . . . . . . . . . . A . 16 ILE H . . . . . . . . . rr_1v4z 1 . 1 . 242 . 1 1 18 ILE HA H 10.406 4.287 3.427 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HA . . . . . . . . . rr_1v4z 1 . 1 . 243 . 1 1 18 ILE HB H 9.476 1.486 2.720 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HB . . . . . . . . . rr_1v4z 1 . 1 . 244 . 1 1 18 ILE HD11 H 7.905 1.145 5.971 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HD11 . . . . . . . . . rr_1v4z 1 . 1 . 245 . 1 1 18 ILE HD12 H 8.863 0.298 4.756 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HD12 . . . . . . . . . rr_1v4z 1 . 1 . 246 . 1 1 18 ILE HD13 H 7.298 0.986 4.323 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HD13 . . . . . . . . . rr_1v4z 1 . 1 . 247 . 1 1 18 ILE HG12 H 9.376 2.838 5.413 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG12 . . . . . . . . . rr_1v4z 1 . 1 . 248 . 1 1 18 ILE HG13 H 8.119 3.142 4.218 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG13 . . . . . . . . . rr_1v4z 1 . 1 . 249 . 1 1 18 ILE HG21 H 11.559 2.286 4.766 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG21 . . . . . . . . . rr_1v4z 1 . 1 . 250 . 1 1 18 ILE HG22 H 11.891 1.455 3.246 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG22 . . . . . . . . . rr_1v4z 1 . 1 . 251 . 1 1 18 ILE HG23 H 10.936 0.658 4.495 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG23 . . . . . . . . . rr_1v4z 1 . 1 . 252 . 1 1 18 ILE N N 8.945 3.851 1.937 . . . 1.0 . . . . . . . . . . . . A . 16 ILE N . . . . . . . . . rr_1v4z 1 . 1 . 253 . 1 1 18 ILE O O 12.463 3.812 1.993 . . . 1.0 . . . . . . . . . . . . A . 16 ILE O . . . . . . . . . rr_1v4z 1 . 1 . 254 . 1 1 19 ALA C C 12.614 3.807 -1.048 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_1v4z 1 . 1 . 255 . 1 1 19 ALA CA C 12.253 2.477 -0.370 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_1v4z 1 . 1 . 256 . 1 1 19 ALA CB C 11.694 1.482 -1.392 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_1v4z 1 . 1 . 257 . 1 1 19 ALA H H 10.258 2.315 0.442 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_1v4z 1 . 1 . 258 . 1 1 19 ALA HA H 13.120 2.056 0.115 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_1v4z 1 . 1 . 259 . 1 1 19 ALA HB1 H 10.768 1.864 -1.798 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_1v4z 1 . 1 . 260 . 1 1 19 ALA HB2 H 11.512 0.534 -0.909 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_1v4z 1 . 1 . 261 . 1 1 19 ALA HB3 H 12.409 1.347 -2.191 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_1v4z 1 . 1 . 262 . 1 1 19 ALA N N 11.151 2.679 0.624 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_1v4z 1 . 1 . 263 . 1 1 19 ALA O O 11.708 4.492 -1.499 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_1v4z 1 . 1 . 264 . 1 1 19 ALA OXT O 13.792 4.119 -1.101 . . . 1.0 . . . . . . . . . . . . A . 17 ALA OXT . . . . . . . . . rr_1v4z 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_1v4z _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 1v4z.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1v4z 1 1 1v4z.mr . . XPLOR/CNS 2 distance NOE simple 174 rr_1v4z 1 1 1v4z.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1v4z 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_1v4z _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_1v4z 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 3 3 LYS H H . . . 1 1 3 3 LYS HB3 H . . . . . 3.58 2.87 4.29 . . . . . A . 1 LYS H . . A . 1 LYS HB3 . . . 1 . HN . . . . . 1 . HB1 . . rr_1v4z 1 2 1 . . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HB2 H . . . . . 3.35 2.70 4.00 . . . . . A . 1 LYS H . . A . 1 LYS HB2 . . . 1 . HN . . . . . 1 . HB2 . . rr_1v4z 1 3 1 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HG2 H . . . . . 3.56 2.75 4.37 . . . . . A . 1 LYS H . . A . 1 LYS HG2 . . . 1 . HN . . . . . 1 . HG* . . rr_1v4z 1 3 2 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HG3 H . . . . . 3.56 2.75 4.37 . . . . . A . 1 LYS H . . A . 1 LYS HG3 . . . 1 . HN . . . . . 1 . HG* . . rr_1v4z 1 4 1 . . 1 1 4 4 ILE H H . . . 1 1 3 3 LYS HA H . . . . . 2.79 2.26 3.31 . . . . . A . 2 ILE H . . A . 1 LYS HA . . . 2 . HN . . . . . 1 . HA . . rr_1v4z 1 5 1 . . 1 1 3 3 LYS HB2 H . . . 1 1 4 4 ILE H H . . . . . 3.75 3.00 4.50 . . . . . A . 1 LYS HB2 . . A . 2 ILE H . . . 1 . HB2 . . . . . 2 . HN . . rr_1v4z 1 6 1 OR . 1 1 4 4 ILE H H . . . 1 1 3 3 LYS HG2 H . . . . . 4.01 3.07 4.95 . . . . . A . 2 ILE H . . A . 1 LYS HG2 . . . 2 . HN . . . . . 1 . HG* . . rr_1v4z 1 6 2 OR . 1 1 3 3 LYS HG3 H . . . 1 1 4 4 ILE H H . . . . . 4.01 3.07 4.95 . . . . . A . 1 LYS HG3 . . A . 2 ILE H . . . 1 . HG* . . . . . 2 . HN . . rr_1v4z 1 7 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE HB H . . . . . 2.87 2.32 3.41 . . . . . A . 2 ILE H . . A . 2 ILE HB . . . 2 . HN . . . . . 2 . HB . . rr_1v4z 1 8 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE MD H . . . . . 4.45 3.29 5.60 . . . . . A . 2 ILE H . . A . 2 ILE MD . . . 2 . HN . . . . . 2 . HD1* . . rr_1v4z 1 9 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE HG13 H . . . . . 3.48 2.80 4.16 . . . . . A . 2 ILE H . . A . 2 ILE HG13 . . . 2 . HN . . . . . 2 . HG11 . . rr_1v4z 1 10 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE HG12 H . . . . . 3.33 2.68 3.98 . . . . . A . 2 ILE H . . A . 2 ILE HG12 . . . 2 . HN . . . . . 2 . HG12 . . rr_1v4z 1 11 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE MG H . . . . . 3.75 2.81 4.68 . . . . . A . 2 ILE H . . A . 2 ILE MG . . . 2 . HN . . . . . 2 . HG2* . . rr_1v4z 1 12 1 OR . 1 1 5 5 SER HA H . . . 1 1 5 5 SER HB2 H . . . . . 2.58 1.94 3.21 . . . . . A . 3 SER HA . . A . 3 SER HB2 . . . 3 . HA . . . . . 3 . HB* . . rr_1v4z 1 12 2 OR . 1 1 5 5 SER HA H . . . 1 1 5 5 SER HB3 H . . . . . 2.58 1.94 3.21 . . . . . A . 3 SER HA . . A . 3 SER HB3 . . . 3 . HA . . . . . 3 . HB* . . rr_1v4z 1 13 1 . . 1 1 5 5 SER H H . . . 1 1 4 4 ILE HA H . . . . . 2.55 2.07 3.03 . . . . . A . 3 SER H . . A . 2 ILE HA . . . 3 . HN . . . . . 2 . HA . . rr_1v4z 1 14 1 . . 1 1 4 4 ILE HB H . . . 1 1 5 5 SER H H . . . . . 3.43 2.76 4.10 . . . . . A . 2 ILE HB . . A . 3 SER H . . . 2 . HB . . . . . 3 . HN . . rr_1v4z 1 15 1 . . 1 1 4 4 ILE HG12 H . . . 1 1 5 5 SER H H . . . . . 4.21 3.30 5.12 . . . . . A . 2 ILE HG12 . . A . 3 SER H . . . 2 . HG12 . . . . . 3 . HN . . rr_1v4z 1 16 1 . . 1 1 4 4 ILE MG H . . . 1 1 5 5 SER H H . . . . . 3.66 2.74 4.58 . . . . . A . 2 ILE MG . . A . 3 SER H . . . 2 . HG2* . . . . . 3 . HN . . rr_1v4z 1 17 1 OR . 1 1 5 5 SER H H . . . 1 1 5 5 SER HB2 H . . . . . 3.20 2.46 3.93 . . . . . A . 3 SER H . . A . 3 SER HB2 . . . 3 . HN . . . . . 3 . HB* . . rr_1v4z 1 17 2 OR . 1 1 5 5 SER HB3 H . . . 1 1 5 5 SER H H . . . . . 3.20 2.46 3.93 . . . . . A . 3 SER HB3 . . A . 3 SER H . . . 3 . HB* . . . . . 3 . HN . . rr_1v4z 1 18 1 . . 1 1 6 6 SER HA H . . . 1 1 6 6 SER HB3 H . . . . . 2.68 2.14 3.22 . . . . . A . 4 SER HA . . A . 4 SER HB3 . . . 4 . HA . . . . . 4 . HB1 . . rr_1v4z 1 19 1 . . 1 1 6 6 SER HA H . . . 1 1 6 6 SER HB2 H . . . . . 2.10 1.70 2.50 . . . . . A . 4 SER HA . . A . 4 SER HB2 . . . 4 . HA . . . . . 4 . HB2 . . rr_1v4z 1 20 1 OR . 1 1 6 6 SER HA H . . . 1 1 7 7 PRO HD2 H . . . . . 2.25 1.70 2.79 . . . . . A . 4 SER HA . . A . 5 PRO HD2 . . . 4 . HA . . . . . 5 . HD* . . rr_1v4z 1 20 2 OR . 1 1 6 6 SER HA H . . . 1 1 7 7 PRO HD3 H . . . . . 2.25 1.70 2.79 . . . . . A . 4 SER HA . . A . 5 PRO HD3 . . . 4 . HA . . . . . 5 . HD* . . rr_1v4z 1 21 1 . . 1 1 6 6 SER HA H . . . 1 1 7 7 PRO HG2 H . . . . . 3.65 2.81 4.49 . . . . . A . 4 SER HA . . A . 5 PRO HG2 . . . 4 . HA . . . . . 5 . HG2 . . rr_1v4z 1 22 1 . . 1 1 4 4 ILE HA H . . . 1 1 6 6 SER H H . . . . . 4.46 3.45 5.48 . . . . . A . 2 ILE HA . . A . 4 SER H . . . 2 . HA . . . . . 4 . HN . . rr_1v4z 1 23 1 . . 1 1 4 4 ILE MG H . . . 1 1 6 6 SER H H . . . . . 4.39 3.26 5.52 . . . . . A . 2 ILE MG . . A . 4 SER H . . . 2 . HG2* . . . . . 4 . HN . . rr_1v4z 1 24 1 . . 1 1 5 5 SER HA H . . . 1 1 6 6 SER H H . . . . . 3.76 3.00 4.52 . . . . . A . 3 SER HA . . A . 4 SER H . . . 3 . HA . . . . . 4 . HN . . rr_1v4z 1 25 1 OR . 1 1 6 6 SER H H . . . 1 1 5 5 SER HB2 H . . . . . 3.49 2.69 4.28 . . . . . A . 4 SER H . . A . 3 SER HB2 . . . 4 . HN . . . . . 3 . HB* . . rr_1v4z 1 25 2 OR . 1 1 5 5 SER HB3 H . . . 1 1 6 6 SER H H . . . . . 3.49 2.69 4.28 . . . . . A . 3 SER HB3 . . A . 4 SER H . . . 3 . HB* . . . . . 4 . HN . . rr_1v4z 1 26 1 . . 1 1 5 5 SER H H . . . 1 1 6 6 SER H H . . . . . 3.54 2.84 4.24 . . . . . A . 3 SER H . . A . 4 SER H . . . 3 . HN . . . . . 4 . HN . . rr_1v4z 1 27 1 . . 1 1 6 6 SER HB3 H . . . 1 1 6 6 SER H H . . . . . 3.60 2.89 4.31 . . . . . A . 4 SER HB3 . . A . 4 SER H . . . 4 . HB1 . . . . . 4 . HN . . rr_1v4z 1 28 1 . . 1 1 6 6 SER HB2 H . . . 1 1 6 6 SER H H . . . . . 3.41 2.74 4.08 . . . . . A . 4 SER HB2 . . A . 4 SER H . . . 4 . HB2 . . . . . 4 . HN . . rr_1v4z 1 29 1 OR . 1 1 6 6 SER H H . . . 1 1 9 9 GLU HB2 H . . . . . 3.71 2.86 4.56 . . . . . A . 4 SER H . . A . 7 GLU HB2 . . . 4 . HN . . . . . 7 . HB* . . rr_1v4z 1 29 2 OR . 1 1 6 6 SER H H . . . 1 1 9 9 GLU HB3 H . . . . . 3.71 2.86 4.56 . . . . . A . 4 SER H . . A . 7 GLU HB3 . . . 4 . HN . . . . . 7 . HB* . . rr_1v4z 1 30 1 OR . 1 1 6 6 SER H H . . . 1 1 9 9 GLU HG2 H . . . . . 4.24 3.22 5.25 . . . . . A . 4 SER H . . A . 7 GLU HG2 . . . 4 . HN . . . . . 7 . HG* . . rr_1v4z 1 30 2 OR . 1 1 6 6 SER H H . . . 1 1 9 9 GLU HG3 H . . . . . 4.24 3.22 5.25 . . . . . A . 4 SER H . . A . 7 GLU HG3 . . . 4 . HN . . . . . 7 . HG* . . rr_1v4z 1 31 1 . . 1 1 7 7 PRO HA H . . . 1 1 10 10 THR HB H . . . . . 3.10 2.45 3.75 . . . . . A . 5 PRO HA . . A . 8 THR HB . . . 5 . HA . . . . . 8 . HB . . rr_1v4z 1 32 1 . . 1 1 7 7 PRO HA H . . . 1 1 10 10 THR MG H . . . . . 4.13 2.93 5.33 . . . . . A . 5 PRO HA . . A . 8 THR MG . . . 5 . HA . . . . . 8 . HG2* . . rr_1v4z 1 33 1 OR . 1 1 8 8 THR HA H . . . 1 1 11 11 GLU HB2 H . . . . . 3.17 2.40 3.94 . . . . . A . 6 THR HA . . A . 9 GLU HB2 . . . 6 . HA . . . . . 9 . HB* . . rr_1v4z 1 33 2 OR . 1 1 8 8 THR HA H . . . 1 1 11 11 GLU HB3 H . . . . . 3.17 2.40 3.94 . . . . . A . 6 THR HA . . A . 9 GLU HB3 . . . 6 . HA . . . . . 9 . HB* . . rr_1v4z 1 34 1 . . 1 1 8 8 THR HA H . . . 1 1 8 8 THR MG H . . . . . 2.61 1.89 3.33 . . . . . A . 6 THR HA . . A . 6 THR MG . . . 6 . HA . . . . . 6 . HG2* . . rr_1v4z 1 35 1 . . 1 1 6 6 SER HB3 H . . . 1 1 8 8 THR H H . . . . . 3.92 3.11 4.72 . . . . . A . 4 SER HB3 . . A . 6 THR H . . . 4 . HB1 . . . . . 6 . HN . . rr_1v4z 1 36 1 . . 1 1 7 7 PRO HA H . . . 1 1 8 8 THR H H . . . . . 3.45 2.77 4.12 . . . . . A . 5 PRO HA . . A . 6 THR H . . . 5 . HA . . . . . 6 . HN . . rr_1v4z 1 37 1 . . 1 1 8 8 THR H H . . . 1 1 7 7 PRO HB2 H . . . . . 3.87 3.08 4.66 . . . . . A . 6 THR H . . A . 5 PRO HB2 . . . 6 . HN . . . . . 5 . HB2 . . rr_1v4z 1 38 1 OR . 1 1 8 8 THR H H . . . 1 1 7 7 PRO HD2 H . . . . . 3.62 2.79 4.45 . . . . . A . 6 THR H . . A . 5 PRO HD2 . . . 6 . HN . . . . . 5 . HD* . . rr_1v4z 1 38 2 OR . 1 1 7 7 PRO HD3 H . . . 1 1 8 8 THR H H . . . . . 3.62 2.79 4.45 . . . . . A . 5 PRO HD3 . . A . 6 THR H . . . 5 . HD* . . . . . 6 . HN . . rr_1v4z 1 39 1 . . 1 1 8 8 THR H H . . . 1 1 7 7 PRO HG3 H . . . . . 3.50 2.81 4.19 . . . . . A . 6 THR H . . A . 5 PRO HG3 . . . 6 . HN . . . . . 5 . HG1 . . rr_1v4z 1 40 1 . . 1 1 7 7 PRO HG2 H . . . 1 1 8 8 THR H H . . . . . 3.23 2.61 3.85 . . . . . A . 5 PRO HG2 . . A . 6 THR H . . . 5 . HG2 . . . . . 6 . HN . . rr_1v4z 1 41 1 . . 1 1 8 8 THR HA H . . . 1 1 8 8 THR H H . . . . . 3.25 2.63 3.87 . . . . . A . 6 THR HA . . A . 6 THR H . . . 6 . HA . . . . . 6 . HN . . rr_1v4z 1 42 1 . . 1 1 8 8 THR H H . . . 1 1 8 8 THR HB H . . . . . 3.48 2.79 4.17 . . . . . A . 6 THR H . . A . 6 THR HB . . . 6 . HN . . . . . 6 . HB . . rr_1v4z 1 43 1 . . 1 1 8 8 THR MG H . . . 1 1 8 8 THR H H . . . . . 3.12 2.33 3.91 . . . . . A . 6 THR MG . . A . 6 THR H . . . 6 . HG2* . . . . . 6 . HN . . rr_1v4z 1 44 1 OR . 1 1 9 9 GLU HA H . . . 1 1 12 12 ARG HB2 H . . . . . 2.82 2.13 3.51 . . . . . A . 7 GLU HA . . A . 10 ARG HB2 . . . 7 . HA . . . . . 10 . HB* . . rr_1v4z 1 44 2 OR . 1 1 9 9 GLU HA H . . . 1 1 12 12 ARG HB3 H . . . . . 2.82 2.13 3.51 . . . . . A . 7 GLU HA . . A . 10 ARG HB3 . . . 7 . HA . . . . . 10 . HB* . . rr_1v4z 1 45 1 OR . 1 1 9 9 GLU HA H . . . 1 1 9 9 GLU HB2 H . . . . . 2.57 1.94 3.20 . . . . . A . 7 GLU HA . . A . 7 GLU HB2 . . . 7 . HA . . . . . 7 . HB* . . rr_1v4z 1 45 2 OR . 1 1 9 9 GLU HB3 H . . . 1 1 9 9 GLU HA H . . . . . 2.57 1.94 3.20 . . . . . A . 7 GLU HB3 . . A . 7 GLU HA . . . 7 . HB* . . . . . 7 . HA . . rr_1v4z 1 46 1 OR . 1 1 9 9 GLU HA H . . . 1 1 9 9 GLU HG2 H . . . . . 2.86 2.16 3.56 . . . . . A . 7 GLU HA . . A . 7 GLU HG2 . . . 7 . HA . . . . . 7 . HG* . . rr_1v4z 1 46 2 OR . 1 1 9 9 GLU HG3 H . . . 1 1 9 9 GLU HA H . . . . . 2.86 2.16 3.56 . . . . . A . 7 GLU HG3 . . A . 7 GLU HA . . . 7 . HG* . . . . . 7 . HA . . rr_1v4z 1 47 1 . . 1 1 9 9 GLU H H . . . 1 1 10 10 THR H H . . . . . 2.90 2.35 3.45 . . . . . A . 7 GLU H . . A . 8 THR H . . . 7 . HN . . . . . 8 . HN . . rr_1v4z 1 48 1 . . 1 1 8 8 THR HA H . . . 1 1 9 9 GLU H H . . . . . 3.04 2.46 3.62 . . . . . A . 6 THR HA . . A . 7 GLU H . . . 6 . HA . . . . . 7 . HN . . rr_1v4z 1 49 1 . . 1 1 8 8 THR HB H . . . 1 1 9 9 GLU H H . . . . . 3.29 2.66 3.93 . . . . . A . 6 THR HB . . A . 7 GLU H . . . 6 . HB . . . . . 7 . HN . . rr_1v4z 1 50 1 . . 1 1 8 8 THR MG H . . . 1 1 9 9 GLU H H . . . . . 3.81 2.86 4.76 . . . . . A . 6 THR MG . . A . 7 GLU H . . . 6 . HG2* . . . . . 7 . HN . . rr_1v4z 1 51 1 . . 1 1 8 8 THR H H . . . 1 1 9 9 GLU H H . . . . . 3.17 2.57 3.77 . . . . . A . 6 THR H . . A . 7 GLU H . . . 6 . HN . . . . . 7 . HN . . rr_1v4z 1 52 1 . . 1 1 9 9 GLU HA H . . . 1 1 9 9 GLU H H . . . . . 2.52 2.04 3.00 . . . . . A . 7 GLU HA . . A . 7 GLU H . . . 7 . HA . . . . . 7 . HN . . rr_1v4z 1 53 1 OR . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HB2 H . . . . . 2.79 2.14 3.44 . . . . . A . 7 GLU H . . A . 7 GLU HB2 . . . 7 . HN . . . . . 7 . HB* . . rr_1v4z 1 53 2 OR . 1 1 9 9 GLU HB3 H . . . 1 1 9 9 GLU H H . . . . . 2.79 2.14 3.44 . . . . . A . 7 GLU HB3 . . A . 7 GLU H . . . 7 . HB* . . . . . 7 . HN . . rr_1v4z 1 54 1 OR . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HG2 H . . . . . 3.06 2.36 3.76 . . . . . A . 7 GLU H . . A . 7 GLU HG2 . . . 7 . HN . . . . . 7 . HG* . . rr_1v4z 1 54 2 OR . 1 1 9 9 GLU HG3 H . . . 1 1 9 9 GLU H H . . . . . 3.06 2.36 3.76 . . . . . A . 7 GLU HG3 . . A . 7 GLU H . . . 7 . HG* . . . . . 7 . HN . . rr_1v4z 1 55 1 . . 1 1 10 10 THR MG H . . . 1 1 10 10 THR HA H . . . . . 2.71 1.97 3.45 . . . . . A . 8 THR MG . . A . 8 THR HA . . . 8 . HG2* . . . . . 8 . HA . . rr_1v4z 1 56 1 . . 1 1 10 10 THR HA H . . . 1 1 13 13 CYS HB3 H . . . . . 3.25 2.55 3.94 . . . . . A . 8 THR HA . . A . 11 CYS HB3 . . . 8 . HA . . . . . 11 . HB1 . . rr_1v4z 1 57 1 . . 1 1 10 10 THR HA H . . . 1 1 13 13 CYS HB2 H . . . . . 3.54 2.75 4.33 . . . . . A . 8 THR HA . . A . 11 CYS HB2 . . . 8 . HA . . . . . 11 . HB2 . . rr_1v4z 1 58 1 . . 1 1 10 10 THR HB H . . . 1 1 10 10 THR HA H . . . . . 2.56 2.04 3.08 . . . . . A . 8 THR HB . . A . 8 THR HA . . . 8 . HB . . . . . 8 . HA . . rr_1v4z 1 59 1 . . 1 1 10 10 THR H H . . . 1 1 10 10 THR HA H . . . . . 2.83 2.29 3.36 . . . . . A . 8 THR H . . A . 8 THR HA . . . 8 . HN . . . . . 8 . HA . . rr_1v4z 1 60 1 . . 1 1 10 10 THR HB H . . . 1 1 10 10 THR H H . . . . . 2.71 2.20 3.22 . . . . . A . 8 THR HB . . A . 8 THR H . . . 8 . HB . . . . . 8 . HN . . rr_1v4z 1 61 1 . . 1 1 10 10 THR MG H . . . 1 1 10 10 THR H H . . . . . 3.32 2.48 4.16 . . . . . A . 8 THR MG . . A . 8 THR H . . . 8 . HG2* . . . . . 8 . HN . . rr_1v4z 1 62 1 . . 1 1 10 10 THR H H . . . 1 1 11 11 GLU H H . . . . . 2.76 2.24 3.28 . . . . . A . 8 THR H . . A . 9 GLU H . . . 8 . HN . . . . . 9 . HN . . rr_1v4z 1 63 1 OR . 1 1 10 10 THR H H . . . 1 1 9 9 GLU HB2 H . . . . . 3.16 2.44 3.88 . . . . . A . 8 THR H . . A . 7 GLU HB2 . . . 8 . HN . . . . . 7 . HB* . . rr_1v4z 1 63 2 OR . 1 1 9 9 GLU HB3 H . . . 1 1 10 10 THR H H . . . . . 3.16 2.44 3.88 . . . . . A . 7 GLU HB3 . . A . 8 THR H . . . 7 . HB* . . . . . 8 . HN . . rr_1v4z 1 64 1 OR . 1 1 10 10 THR H H . . . 1 1 9 9 GLU HG2 H . . . . . 3.68 2.83 4.53 . . . . . A . 8 THR H . . A . 7 GLU HG2 . . . 8 . HN . . . . . 7 . HG* . . rr_1v4z 1 64 2 OR . 1 1 9 9 GLU HG3 H . . . 1 1 10 10 THR H H . . . . . 3.68 2.83 4.53 . . . . . A . 7 GLU HG3 . . A . 8 THR H . . . 7 . HG* . . . . . 8 . HN . . rr_1v4z 1 65 1 OR . 1 1 11 11 GLU HA H . . . 1 1 11 11 GLU HB2 H . . . . . 2.63 1.99 3.28 . . . . . A . 9 GLU HA . . A . 9 GLU HB2 . . . 9 . HA . . . . . 9 . HB* . . rr_1v4z 1 65 2 OR . 1 1 11 11 GLU HB3 H . . . 1 1 11 11 GLU HA H . . . . . 2.63 1.99 3.28 . . . . . A . 9 GLU HB3 . . A . 9 GLU HA . . . 9 . HB* . . . . . 9 . HA . . rr_1v4z 1 66 1 OR . 1 1 11 11 GLU HA H . . . 1 1 11 11 GLU HG2 H . . . . . 2.94 2.23 3.65 . . . . . A . 9 GLU HA . . A . 9 GLU HG2 . . . 9 . HA . . . . . 9 . HG* . . rr_1v4z 1 66 2 OR . 1 1 11 11 GLU HA H . . . 1 1 11 11 GLU HG3 H . . . . . 2.94 2.23 3.65 . . . . . A . 9 GLU HA . . A . 9 GLU HG3 . . . 9 . HA . . . . . 9 . HG* . . rr_1v4z 1 67 1 . . 1 1 11 11 GLU HA H . . . 1 1 14 14 ILE HB H . . . . . 2.95 2.34 3.56 . . . . . A . 9 GLU HA . . A . 12 ILE HB . . . 9 . HA . . . . . 12 . HB . . rr_1v4z 1 68 1 . . 1 1 11 11 GLU HA H . . . 1 1 14 14 ILE MD H . . . . . 3.55 2.59 4.51 . . . . . A . 9 GLU HA . . A . 12 ILE MD . . . 9 . HA . . . . . 12 . HD1* . . rr_1v4z 1 69 1 . . 1 1 11 11 GLU HA H . . . 1 1 14 14 ILE HG13 H . . . . . 4.18 3.06 5.30 . . . . . A . 9 GLU HA . . A . 12 ILE HG13 . . . 9 . HA . . . . . 12 . HG11 . . rr_1v4z 1 70 1 . . 1 1 11 11 GLU HA H . . . 1 1 14 14 ILE MG H . . . . . 4.33 3.02 5.65 . . . . . A . 9 GLU HA . . A . 12 ILE MG . . . 9 . HA . . . . . 12 . HG2* . . rr_1v4z 1 71 1 . . 1 1 10 10 THR HB H . . . 1 1 11 11 GLU H H . . . . . 3.03 2.45 3.60 . . . . . A . 8 THR HB . . A . 9 GLU H . . . 8 . HB . . . . . 9 . HN . . rr_1v4z 1 72 1 . . 1 1 10 10 THR MG H . . . 1 1 11 11 GLU H H . . . . . 3.75 2.81 4.69 . . . . . A . 8 THR MG . . A . 9 GLU H . . . 8 . HG2* . . . . . 9 . HN . . rr_1v4z 1 73 1 . . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HA H . . . . . 2.62 2.12 3.12 . . . . . A . 9 GLU H . . A . 9 GLU HA . . . 9 . HN . . . . . 9 . HA . . rr_1v4z 1 74 1 OR . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HB2 H . . . . . 2.71 2.08 3.34 . . . . . A . 9 GLU H . . A . 9 GLU HB2 . . . 9 . HN . . . . . 9 . HB* . . rr_1v4z 1 74 2 OR . 1 1 11 11 GLU HB3 H . . . 1 1 11 11 GLU H H . . . . . 2.71 2.08 3.34 . . . . . A . 9 GLU HB3 . . A . 9 GLU H . . . 9 . HB* . . . . . 9 . HN . . rr_1v4z 1 75 1 OR . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HG2 H . . . . . 3.16 2.43 3.88 . . . . . A . 9 GLU H . . A . 9 GLU HG2 . . . 9 . HN . . . . . 9 . HG* . . rr_1v4z 1 75 2 OR . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HG3 H . . . . . 3.16 2.43 3.88 . . . . . A . 9 GLU H . . A . 9 GLU HG3 . . . 9 . HN . . . . . 9 . HG* . . rr_1v4z 1 76 1 . . 1 1 8 8 THR HA H . . . 1 1 11 11 GLU H H . . . . . 4.19 3.29 5.09 . . . . . A . 6 THR HA . . A . 9 GLU H . . . 6 . HA . . . . . 9 . HN . . rr_1v4z 1 77 1 OR . 1 1 12 12 ARG HA H . . . 1 1 12 12 ARG HD2 H . . . . . 3.38 2.54 4.22 . . . . . A . 10 ARG HA . . A . 10 ARG HD2 . . . 10 . HA . . . . . 10 . HD* . . rr_1v4z 1 77 2 OR . 1 1 12 12 ARG HA H . . . 1 1 12 12 ARG HD3 H . . . . . 3.38 2.54 4.22 . . . . . A . 10 ARG HA . . A . 10 ARG HD3 . . . 10 . HA . . . . . 10 . HD* . . rr_1v4z 1 78 1 OR . 1 1 12 12 ARG HA H . . . 1 1 12 12 ARG HG2 H . . . . . 2.99 2.26 3.72 . . . . . A . 10 ARG HA . . A . 10 ARG HG2 . . . 10 . HA . . . . . 10 . HG* . . rr_1v4z 1 78 2 OR . 1 1 12 12 ARG HA H . . . 1 1 12 12 ARG HG3 H . . . . . 2.99 2.26 3.72 . . . . . A . 10 ARG HA . . A . 10 ARG HG3 . . . 10 . HA . . . . . 10 . HG* . . rr_1v4z 1 79 1 OR . 1 1 12 12 ARG HA H . . . 1 1 15 15 GLU HB2 H . . . . . 3.04 2.29 3.79 . . . . . A . 10 ARG HA . . A . 13 GLU HB2 . . . 10 . HA . . . . . 13 . HB* . . rr_1v4z 1 79 2 OR . 1 1 12 12 ARG HA H . . . 1 1 15 15 GLU HB3 H . . . . . 3.04 2.29 3.79 . . . . . A . 10 ARG HA . . A . 13 GLU HB3 . . . 10 . HA . . . . . 13 . HB* . . rr_1v4z 1 80 1 OR . 1 1 12 12 ARG HB2 H . . . 1 1 12 12 ARG HD2 H . . . . . 3.08 2.21 3.94 . . . . . A . 10 ARG HB2 . . A . 10 ARG HD2 . . . 10 . HB* . . . . . 10 . HD* . . rr_1v4z 1 80 2 OR . 1 1 12 12 ARG HB3 H . . . 1 1 12 12 ARG HD2 H . . . . . 3.08 2.21 3.94 . . . . . A . 10 ARG HB3 . . A . 10 ARG HD2 . . . 10 . HB* . . . . . 10 . HD* . . rr_1v4z 1 80 3 OR . 1 1 12 12 ARG HD3 H . . . 1 1 12 12 ARG HB2 H . . . . . 3.08 2.21 3.94 . . . . . A . 10 ARG HD3 . . A . 10 ARG HB2 . . . 10 . HD* . . . . . 10 . HB* . . rr_1v4z 1 80 4 OR . 1 1 12 12 ARG HB3 H . . . 1 1 12 12 ARG HD3 H . . . . . 3.08 2.21 3.94 . . . . . A . 10 ARG HB3 . . A . 10 ARG HD3 . . . 10 . HB* . . . . . 10 . HD* . . rr_1v4z 1 81 1 OR . 1 1 12 12 ARG HE H . . . 1 1 12 12 ARG HB2 H . . . . . 4.15 3.17 5.14 . . . . . A . 10 ARG HE . . A . 10 ARG HB2 . . . 10 . HE . . . . . 10 . HB* . . rr_1v4z 1 81 2 OR . 1 1 12 12 ARG HB3 H . . . 1 1 12 12 ARG HE H . . . . . 4.15 3.17 5.14 . . . . . A . 10 ARG HB3 . . A . 10 ARG HE . . . 10 . HB* . . . . . 10 . HE . . rr_1v4z 1 82 1 OR . 1 1 12 12 ARG HE H . . . 1 1 12 12 ARG HG2 H . . . . . 4.20 3.20 5.20 . . . . . A . 10 ARG HE . . A . 10 ARG HG2 . . . 10 . HE . . . . . 10 . HG* . . rr_1v4z 1 82 2 OR . 1 1 12 12 ARG HG3 H . . . 1 1 12 12 ARG HE H . . . . . 4.20 3.20 5.20 . . . . . A . 10 ARG HG3 . . A . 10 ARG HE . . . 10 . HG* . . . . . 10 . HE . . rr_1v4z 1 83 1 . . 1 1 11 11 GLU HA H . . . 1 1 12 12 ARG H H . . . . . 2.81 2.27 3.35 . . . . . A . 9 GLU HA . . A . 10 ARG H . . . 9 . HA . . . . . 10 . HN . . rr_1v4z 1 84 1 OR . 1 1 12 12 ARG H H . . . 1 1 11 11 GLU HB2 H . . . . . 3.08 2.37 3.78 . . . . . A . 10 ARG H . . A . 9 GLU HB2 . . . 10 . HN . . . . . 9 . HB* . . rr_1v4z 1 84 2 OR . 1 1 11 11 GLU HB3 H . . . 1 1 12 12 ARG H H . . . . . 3.08 2.37 3.78 . . . . . A . 9 GLU HB3 . . A . 10 ARG H . . . 9 . HB* . . . . . 10 . HN . . rr_1v4z 1 85 1 OR . 1 1 12 12 ARG H H . . . 1 1 11 11 GLU HG2 H . . . . . 3.87 2.97 4.76 . . . . . A . 10 ARG H . . A . 9 GLU HG2 . . . 10 . HN . . . . . 9 . HG* . . rr_1v4z 1 85 2 OR . 1 1 11 11 GLU HG3 H . . . 1 1 12 12 ARG H H . . . . . 3.87 2.97 4.76 . . . . . A . 9 GLU HG3 . . A . 10 ARG H . . . 9 . HG* . . . . . 10 . HN . . rr_1v4z 1 86 1 . . 1 1 11 11 GLU H H . . . 1 1 12 12 ARG H H . . . . . 2.88 2.34 3.42 . . . . . A . 9 GLU H . . A . 10 ARG H . . . 9 . HN . . . . . 10 . HN . . rr_1v4z 1 87 1 . . 1 1 12 12 ARG HA H . . . 1 1 12 12 ARG H H . . . . . 2.96 2.40 3.52 . . . . . A . 10 ARG HA . . A . 10 ARG H . . . 10 . HA . . . . . 10 . HN . . rr_1v4z 1 88 1 OR . 1 1 12 12 ARG H H . . . 1 1 12 12 ARG HB2 H . . . . . 2.71 2.07 3.34 . . . . . A . 10 ARG H . . A . 10 ARG HB2 . . . 10 . HN . . . . . 10 . HB* . . rr_1v4z 1 88 2 OR . 1 1 12 12 ARG HB3 H . . . 1 1 12 12 ARG H H . . . . . 2.71 2.07 3.34 . . . . . A . 10 ARG HB3 . . A . 10 ARG H . . . 10 . HB* . . . . . 10 . HN . . rr_1v4z 1 89 1 OR . 1 1 12 12 ARG H H . . . 1 1 12 12 ARG HD2 H . . . . . 4.08 3.12 5.04 . . . . . A . 10 ARG H . . A . 10 ARG HD2 . . . 10 . HN . . . . . 10 . HD* . . rr_1v4z 1 89 2 OR . 1 1 12 12 ARG HD3 H . . . 1 1 12 12 ARG H H . . . . . 4.08 3.12 5.04 . . . . . A . 10 ARG HD3 . . A . 10 ARG H . . . 10 . HD* . . . . . 10 . HN . . rr_1v4z 1 90 1 OR . 1 1 12 12 ARG H H . . . 1 1 12 12 ARG HG2 H . . . . . 3.23 2.49 3.97 . . . . . A . 10 ARG H . . A . 10 ARG HG2 . . . 10 . HN . . . . . 10 . HG* . . rr_1v4z 1 90 2 OR . 1 1 12 12 ARG HG3 H . . . 1 1 12 12 ARG H H . . . . . 3.23 2.49 3.97 . . . . . A . 10 ARG HG3 . . A . 10 ARG H . . . 10 . HG* . . . . . 10 . HN . . rr_1v4z 1 91 1 . . 1 1 9 9 GLU HA H . . . 1 1 12 12 ARG H H . . . . . 3.00 2.43 3.57 . . . . . A . 7 GLU HA . . A . 10 ARG H . . . 7 . HA . . . . . 10 . HN . . rr_1v4z 1 92 1 . . 1 1 13 13 CYS HA H . . . 1 1 16 16 SER HB3 H . . . . . 3.21 2.52 3.90 . . . . . A . 11 CYS HA . . A . 14 SER HB3 . . . 11 . HA . . . . . 14 . HB1 . . rr_1v4z 1 93 1 . . 1 1 10 10 THR HA H . . . 1 1 13 13 CYS H H . . . . . 3.39 2.73 4.05 . . . . . A . 8 THR HA . . A . 11 CYS H . . . 8 . HA . . . . . 11 . HN . . rr_1v4z 1 94 1 . . 1 1 10 10 THR MG H . . . 1 1 13 13 CYS H H . . . . . 4.20 3.13 5.26 . . . . . A . 8 THR MG . . A . 11 CYS H . . . 8 . HG2* . . . . . 11 . HN . . rr_1v4z 1 95 1 . . 1 1 12 12 ARG HA H . . . 1 1 13 13 CYS H H . . . . . 2.96 2.40 3.52 . . . . . A . 10 ARG HA . . A . 11 CYS H . . . 10 . HA . . . . . 11 . HN . . rr_1v4z 1 96 1 OR . 1 1 13 13 CYS H H . . . 1 1 12 12 ARG HB2 H . . . . . 3.09 2.38 3.80 . . . . . A . 11 CYS H . . A . 10 ARG HB2 . . . 11 . HN . . . . . 10 . HB* . . rr_1v4z 1 96 2 OR . 1 1 12 12 ARG HB3 H . . . 1 1 13 13 CYS H H . . . . . 3.09 2.38 3.80 . . . . . A . 10 ARG HB3 . . A . 11 CYS H . . . 10 . HB* . . . . . 11 . HN . . rr_1v4z 1 97 1 . . 1 1 12 12 ARG H H . . . 1 1 13 13 CYS H H . . . . . 2.79 2.26 3.31 . . . . . A . 10 ARG H . . A . 11 CYS H . . . 10 . HN . . . . . 11 . HN . . rr_1v4z 1 98 1 . . 1 1 13 13 CYS HA H . . . 1 1 13 13 CYS H H . . . . . 3.01 2.44 3.59 . . . . . A . 11 CYS HA . . A . 11 CYS H . . . 11 . HA . . . . . 11 . HN . . rr_1v4z 1 99 1 . . 1 1 13 13 CYS HB3 H . . . 1 1 13 13 CYS H H . . . . . 2.98 2.41 3.55 . . . . . A . 11 CYS HB3 . . A . 11 CYS H . . . 11 . HB1 . . . . . 11 . HN . . rr_1v4z 1 100 1 . . 1 1 13 13 CYS HB2 H . . . 1 1 13 13 CYS H H . . . . . 3.20 2.58 3.82 . . . . . A . 11 CYS HB2 . . A . 11 CYS H . . . 11 . HB2 . . . . . 11 . HN . . rr_1v4z 1 101 1 . . 1 1 14 14 ILE HB H . . . 1 1 14 14 ILE HA H . . . . . 2.66 2.12 3.19 . . . . . A . 12 ILE HB . . A . 12 ILE HA . . . 12 . HB . . . . . 12 . HA . . rr_1v4z 1 102 1 . . 1 1 14 14 ILE HG13 H . . . 1 1 14 14 ILE HA H . . . . . 3.13 2.47 3.79 . . . . . A . 12 ILE HG13 . . A . 12 ILE HA . . . 12 . HG11 . . . . . 12 . HA . . rr_1v4z 1 103 1 . . 1 1 14 14 ILE HA H . . . 1 1 14 14 ILE HG12 H . . . . . 2.92 2.32 3.52 . . . . . A . 12 ILE HA . . A . 12 ILE HG12 . . . 12 . HA . . . . . 12 . HG12 . . rr_1v4z 1 104 1 . . 1 1 14 14 ILE MG H . . . 1 1 14 14 ILE HA H . . . . . 2.87 2.09 3.65 . . . . . A . 12 ILE MG . . A . 12 ILE HA . . . 12 . HG2* . . . . . 12 . HA . . rr_1v4z 1 105 1 . . 1 1 14 14 ILE HA H . . . 1 1 17 17 LEU HG H . . . . . 3.56 2.75 4.37 . . . . . A . 12 ILE HA . . A . 15 LEU HG . . . 12 . HA . . . . . 15 . HG . . rr_1v4z 1 106 1 . . 1 1 11 11 GLU HA H . . . 1 1 14 14 ILE H H . . . . . 3.09 2.50 3.68 . . . . . A . 9 GLU HA . . A . 12 ILE H . . . 9 . HA . . . . . 12 . HN . . rr_1v4z 1 107 1 . . 1 1 13 13 CYS HA H . . . 1 1 14 14 ILE H H . . . . . 3.19 2.58 3.80 . . . . . A . 11 CYS HA . . A . 12 ILE H . . . 11 . HA . . . . . 12 . HN . . rr_1v4z 1 108 1 . . 1 1 13 13 CYS HB3 H . . . 1 1 14 14 ILE H H . . . . . 3.26 2.63 3.89 . . . . . A . 11 CYS HB3 . . A . 12 ILE H . . . 11 . HB1 . . . . . 12 . HN . . rr_1v4z 1 109 1 . . 1 1 13 13 CYS HB2 H . . . 1 1 14 14 ILE H H . . . . . 3.42 2.75 4.09 . . . . . A . 11 CYS HB2 . . A . 12 ILE H . . . 11 . HB2 . . . . . 12 . HN . . rr_1v4z 1 110 1 . . 1 1 13 13 CYS H H . . . 1 1 14 14 ILE H H . . . . . 2.95 2.39 3.51 . . . . . A . 11 CYS H . . A . 12 ILE H . . . 11 . HN . . . . . 12 . HN . . rr_1v4z 1 111 1 . . 1 1 14 14 ILE HA H . . . 1 1 14 14 ILE H H . . . . . 2.83 2.29 3.37 . . . . . A . 12 ILE HA . . A . 12 ILE H . . . 12 . HA . . . . . 12 . HN . . rr_1v4z 1 112 1 . . 1 1 14 14 ILE HB H . . . 1 1 14 14 ILE H H . . . . . 2.56 2.08 3.04 . . . . . A . 12 ILE HB . . A . 12 ILE H . . . 12 . HB . . . . . 12 . HN . . rr_1v4z 1 113 1 . . 1 1 14 14 ILE MD H . . . 1 1 14 14 ILE H H . . . . . 3.77 2.83 4.71 . . . . . A . 12 ILE MD . . A . 12 ILE H . . . 12 . HD1* . . . . . 12 . HN . . rr_1v4z 1 114 1 . . 1 1 14 14 ILE HG13 H . . . 1 1 14 14 ILE H H . . . . . 2.85 2.31 3.39 . . . . . A . 12 ILE HG13 . . A . 12 ILE H . . . 12 . HG11 . . . . . 12 . HN . . rr_1v4z 1 115 1 . . 1 1 14 14 ILE HG12 H . . . 1 1 14 14 ILE H H . . . . . 3.01 2.44 3.59 . . . . . A . 12 ILE HG12 . . A . 12 ILE H . . . 12 . HG12 . . . . . 12 . HN . . rr_1v4z 1 116 1 OR . 1 1 15 15 GLU HA H . . . 1 1 15 15 GLU HB2 H . . . . . 2.68 2.02 3.34 . . . . . A . 13 GLU HA . . A . 13 GLU HB2 . . . 13 . HA . . . . . 13 . HB* . . rr_1v4z 1 116 2 OR . 1 1 15 15 GLU HB3 H . . . 1 1 15 15 GLU HA H . . . . . 2.68 2.02 3.34 . . . . . A . 13 GLU HB3 . . A . 13 GLU HA . . . 13 . HB* . . . . . 13 . HA . . rr_1v4z 1 117 1 . . 1 1 15 15 GLU HA H . . . 1 1 15 15 GLU HG3 H . . . . . 3.26 2.56 3.96 . . . . . A . 13 GLU HA . . A . 13 GLU HG3 . . . 13 . HA . . . . . 13 . HG1 . . rr_1v4z 1 118 1 . . 1 1 15 15 GLU HA H . . . 1 1 15 15 GLU HG2 H . . . . . 3.07 2.43 3.71 . . . . . A . 13 GLU HA . . A . 13 GLU HG2 . . . 13 . HA . . . . . 13 . HG2 . . rr_1v4z 1 119 1 . . 1 1 15 15 GLU HA H . . . 1 1 18 18 ILE HB H . . . . . 3.80 2.89 4.72 . . . . . A . 13 GLU HA . . A . 16 ILE HB . . . 13 . HA . . . . . 16 . HB . . rr_1v4z 1 120 1 . . 1 1 15 15 GLU HA H . . . 1 1 18 18 ILE MD H . . . . . 3.76 2.72 4.80 . . . . . A . 13 GLU HA . . A . 16 ILE MD . . . 13 . HA . . . . . 16 . HD1* . . rr_1v4z 1 121 1 . . 1 1 15 15 GLU HA H . . . 1 1 18 18 ILE HG13 H . . . . . 3.27 2.57 3.97 . . . . . A . 13 GLU HA . . A . 16 ILE HG13 . . . 13 . HA . . . . . 16 . HG11 . . rr_1v4z 1 122 1 . . 1 1 15 15 GLU HA H . . . 1 1 18 18 ILE HG12 H . . . . . 3.96 2.97 4.96 . . . . . A . 13 GLU HA . . A . 16 ILE HG12 . . . 13 . HA . . . . . 16 . HG12 . . rr_1v4z 1 123 1 . . 1 1 15 15 GLU HA H . . . 1 1 18 18 ILE MG H . . . . . 3.68 2.67 4.69 . . . . . A . 13 GLU HA . . A . 16 ILE MG . . . 13 . HA . . . . . 16 . HG2* . . rr_1v4z 1 124 1 . . 1 1 12 12 ARG HA H . . . 1 1 15 15 GLU H H . . . . . 3.89 3.09 4.69 . . . . . A . 10 ARG HA . . A . 13 GLU H . . . 10 . HA . . . . . 13 . HN . . rr_1v4z 1 125 1 . . 1 1 14 14 ILE HA H . . . 1 1 15 15 GLU H H . . . . . 2.96 2.40 3.52 . . . . . A . 12 ILE HA . . A . 13 GLU H . . . 12 . HA . . . . . 13 . HN . . rr_1v4z 1 126 1 . . 1 1 14 14 ILE HB H . . . 1 1 15 15 GLU H H . . . . . 2.89 2.34 3.44 . . . . . A . 12 ILE HB . . A . 13 GLU H . . . 12 . HB . . . . . 13 . HN . . rr_1v4z 1 127 1 . . 1 1 14 14 ILE MD H . . . 1 1 15 15 GLU H H . . . . . 4.26 3.17 5.35 . . . . . A . 12 ILE MD . . A . 13 GLU H . . . 12 . HD1* . . . . . 13 . HN . . rr_1v4z 1 128 1 . . 1 1 14 14 ILE HG13 H . . . 1 1 15 15 GLU H H . . . . . 3.81 3.04 4.58 . . . . . A . 12 ILE HG13 . . A . 13 GLU H . . . 12 . HG11 . . . . . 13 . HN . . rr_1v4z 1 129 1 . . 1 1 14 14 ILE HG12 H . . . 1 1 15 15 GLU H H . . . . . 4.04 3.19 4.89 . . . . . A . 12 ILE HG12 . . A . 13 GLU H . . . 12 . HG12 . . . . . 13 . HN . . rr_1v4z 1 130 1 . . 1 1 14 14 ILE MG H . . . 1 1 15 15 GLU H H . . . . . 3.33 2.49 4.17 . . . . . A . 12 ILE MG . . A . 13 GLU H . . . 12 . HG2* . . . . . 13 . HN . . rr_1v4z 1 131 1 . . 1 1 14 14 ILE H H . . . 1 1 15 15 GLU H H . . . . . 2.75 2.23 3.27 . . . . . A . 12 ILE H . . A . 13 GLU H . . . 12 . HN . . . . . 13 . HN . . rr_1v4z 1 132 1 . . 1 1 15 15 GLU HA H . . . 1 1 15 15 GLU H H . . . . . 2.73 2.21 3.25 . . . . . A . 13 GLU HA . . A . 13 GLU H . . . 13 . HA . . . . . 13 . HN . . rr_1v4z 1 133 1 OR . 1 1 15 15 GLU H H . . . 1 1 15 15 GLU HB2 H . . . . . 2.71 2.08 3.34 . . . . . A . 13 GLU H . . A . 13 GLU HB2 . . . 13 . HN . . . . . 13 . HB* . . rr_1v4z 1 133 2 OR . 1 1 15 15 GLU HB3 H . . . 1 1 15 15 GLU H H . . . . . 2.71 2.08 3.34 . . . . . A . 13 GLU HB3 . . A . 13 GLU H . . . 13 . HB* . . . . . 13 . HN . . rr_1v4z 1 134 1 . . 1 1 15 15 GLU HG3 H . . . 1 1 15 15 GLU H H . . . . . 3.15 2.55 3.75 . . . . . A . 13 GLU HG3 . . A . 13 GLU H . . . 13 . HG1 . . . . . 13 . HN . . rr_1v4z 1 135 1 . . 1 1 15 15 GLU HG2 H . . . 1 1 15 15 GLU H H . . . . . 3.41 2.74 4.08 . . . . . A . 13 GLU HG2 . . A . 13 GLU H . . . 13 . HG2 . . . . . 13 . HN . . rr_1v4z 1 136 1 . . 1 1 15 15 GLU H H . . . 1 1 16 16 SER H H . . . . . 2.88 2.33 3.43 . . . . . A . 13 GLU H . . A . 14 SER H . . . 13 . HN . . . . . 14 . HN . . rr_1v4z 1 137 1 . . 1 1 16 16 SER HB3 H . . . 1 1 16 16 SER HA H . . . . . 2.46 1.97 2.95 . . . . . A . 14 SER HB3 . . A . 14 SER HA . . . 14 . HB1 . . . . . 14 . HA . . rr_1v4z 1 138 1 . . 1 1 16 16 SER HA H . . . 1 1 16 16 SER HB2 H . . . . . 2.37 1.90 2.84 . . . . . A . 14 SER HA . . A . 14 SER HB2 . . . 14 . HA . . . . . 14 . HB2 . . rr_1v4z 1 139 1 . . 1 1 16 16 SER HA H . . . 1 1 19 19 ALA MB H . . . . . 2.51 1.81 3.21 . . . . . A . 14 SER HA . . A . 17 ALA MB . . . 14 . HA . . . . . 17 . HB* . . rr_1v4z 1 140 1 . . 1 1 13 13 CYS HA H . . . 1 1 16 16 SER H H . . . . . 3.83 3.04 4.62 . . . . . A . 11 CYS HA . . A . 14 SER H . . . 11 . HA . . . . . 14 . HN . . rr_1v4z 1 141 1 OR . 1 1 16 16 SER H H . . . 1 1 15 15 GLU HB2 H . . . . . 3.22 2.48 3.96 . . . . . A . 14 SER H . . A . 13 GLU HB2 . . . 14 . HN . . . . . 13 . HB* . . rr_1v4z 1 141 2 OR . 1 1 15 15 GLU HB3 H . . . 1 1 16 16 SER H H . . . . . 3.22 2.48 3.96 . . . . . A . 13 GLU HB3 . . A . 14 SER H . . . 13 . HB* . . . . . 14 . HN . . rr_1v4z 1 142 1 . . 1 1 15 15 GLU HG3 H . . . 1 1 16 16 SER H H . . . . . 4.16 3.27 5.04 . . . . . A . 13 GLU HG3 . . A . 14 SER H . . . 13 . HG1 . . . . . 14 . HN . . rr_1v4z 1 143 1 . . 1 1 15 15 GLU HG2 H . . . 1 1 16 16 SER H H . . . . . 4.18 3.28 5.08 . . . . . A . 13 GLU HG2 . . A . 14 SER H . . . 13 . HG2 . . . . . 14 . HN . . rr_1v4z 1 144 1 . . 1 1 16 16 SER H H . . . 1 1 16 16 SER HA H . . . . . 3.25 2.63 3.87 . . . . . A . 14 SER H . . A . 14 SER HA . . . 14 . HN . . . . . 14 . HA . . rr_1v4z 1 145 1 . . 1 1 16 16 SER HB3 H . . . 1 1 16 16 SER H H . . . . . 3.25 2.63 3.87 . . . . . A . 14 SER HB3 . . A . 14 SER H . . . 14 . HB1 . . . . . 14 . HN . . rr_1v4z 1 146 1 . . 1 1 16 16 SER H H . . . 1 1 16 16 SER HB2 H . . . . . 2.88 2.34 3.43 . . . . . A . 14 SER H . . A . 14 SER HB2 . . . 14 . HN . . . . . 14 . HB2 . . rr_1v4z 1 147 1 . . 1 1 17 17 LEU HA H . . . 1 1 17 17 LEU HB3 H . . . . . 2.82 2.24 3.39 . . . . . A . 15 LEU HA . . A . 15 LEU HB3 . . . 15 . HA . . . . . 15 . HB1 . . rr_1v4z 1 148 1 . . 1 1 17 17 LEU HA H . . . 1 1 17 17 LEU HB2 H . . . . . 3.02 2.40 3.64 . . . . . A . 15 LEU HA . . A . 15 LEU HB2 . . . 15 . HA . . . . . 15 . HB2 . . rr_1v4z 1 149 1 . . 1 1 17 17 LEU HA H . . . 1 1 17 17 LEU MD2 H . . . . . 2.83 2.06 3.60 . . . . . A . 15 LEU HA . . A . 15 LEU MD2 . . . 15 . HA . . . . . 15 . HD2* . . rr_1v4z 1 150 1 . . 1 1 17 17 LEU HG H . . . 1 1 17 17 LEU HA H . . . . . 2.85 2.27 3.43 . . . . . A . 15 LEU HG . . A . 15 LEU HA . . . 15 . HG . . . . . 15 . HA . . rr_1v4z 1 151 1 . . 1 1 14 14 ILE HA H . . . 1 1 17 17 LEU H H . . . . . 3.48 2.79 4.17 . . . . . A . 12 ILE HA . . A . 15 LEU H . . . 12 . HA . . . . . 15 . HN . . rr_1v4z 1 152 1 . . 1 1 16 16 SER HB3 H . . . 1 1 17 17 LEU H H . . . . . 4.00 3.17 4.83 . . . . . A . 14 SER HB3 . . A . 15 LEU H . . . 14 . HB1 . . . . . 15 . HN . . rr_1v4z 1 153 1 . . 1 1 17 17 LEU HA H . . . 1 1 17 17 LEU H H . . . . . 3.05 2.47 3.63 . . . . . A . 15 LEU HA . . A . 15 LEU H . . . 15 . HA . . . . . 15 . HN . . rr_1v4z 1 154 1 . . 1 1 17 17 LEU HB3 H . . . 1 1 17 17 LEU H H . . . . . 3.28 2.64 3.91 . . . . . A . 15 LEU HB3 . . A . 15 LEU H . . . 15 . HB1 . . . . . 15 . HN . . rr_1v4z 1 155 1 . . 1 1 17 17 LEU HB2 H . . . 1 1 17 17 LEU H H . . . . . 2.77 2.25 3.29 . . . . . A . 15 LEU HB2 . . A . 15 LEU H . . . 15 . HB2 . . . . . 15 . HN . . rr_1v4z 1 156 1 . . 1 1 17 17 LEU H H . . . 1 1 17 17 LEU MD1 H . . . . . 3.81 2.86 4.76 . . . . . A . 15 LEU H . . A . 15 LEU MD1 . . . 15 . HN . . . . . 15 . HD1* . . rr_1v4z 1 157 1 . . 1 1 17 17 LEU MD2 H . . . 1 1 17 17 LEU H H . . . . . 3.86 2.89 4.82 . . . . . A . 15 LEU MD2 . . A . 15 LEU H . . . 15 . HD2* . . . . . 15 . HN . . rr_1v4z 1 158 1 . . 1 1 17 17 LEU HG H . . . 1 1 17 17 LEU H H . . . . . 2.91 2.36 3.46 . . . . . A . 15 LEU HG . . A . 15 LEU H . . . 15 . HG . . . . . 15 . HN . . rr_1v4z 1 159 1 . . 1 1 17 17 LEU H H . . . 1 1 18 18 ILE H H . . . . . 2.56 2.08 3.04 . . . . . A . 15 LEU H . . A . 16 ILE H . . . 15 . HN . . . . . 16 . HN . . rr_1v4z 1 160 1 . . 1 1 18 18 ILE HG12 H . . . 1 1 18 18 ILE HA H . . . . . 3.23 2.54 3.92 . . . . . A . 16 ILE HG12 . . A . 16 ILE HA . . . 16 . HG12 . . . . . 16 . HA . . rr_1v4z 1 161 1 . . 1 1 18 18 ILE MG H . . . 1 1 18 18 ILE HA H . . . . . 2.70 1.96 3.44 . . . . . A . 16 ILE MG . . A . 16 ILE HA . . . 16 . HG2* . . . . . 16 . HA . . rr_1v4z 1 162 1 . . 1 1 15 15 GLU HA H . . . 1 1 18 18 ILE H H . . . . . 3.71 2.97 4.46 . . . . . A . 13 GLU HA . . A . 16 ILE H . . . 13 . HA . . . . . 16 . HN . . rr_1v4z 1 163 1 . . 1 1 17 17 LEU HA H . . . 1 1 18 18 ILE H H . . . . . 3.45 2.77 4.12 . . . . . A . 15 LEU HA . . A . 16 ILE H . . . 15 . HA . . . . . 16 . HN . . rr_1v4z 1 164 1 . . 1 1 17 17 LEU HB3 H . . . 1 1 18 18 ILE H H . . . . . 3.62 2.90 4.34 . . . . . A . 15 LEU HB3 . . A . 16 ILE H . . . 15 . HB1 . . . . . 16 . HN . . rr_1v4z 1 165 1 . . 1 1 17 17 LEU HB2 H . . . 1 1 18 18 ILE H H . . . . . 3.31 2.67 3.95 . . . . . A . 15 LEU HB2 . . A . 16 ILE H . . . 15 . HB2 . . . . . 16 . HN . . rr_1v4z 1 166 1 . . 1 1 17 17 LEU HG H . . . 1 1 18 18 ILE H H . . . . . 4.04 3.19 4.88 . . . . . A . 15 LEU HG . . A . 16 ILE H . . . 15 . HG . . . . . 16 . HN . . rr_1v4z 1 167 1 . . 1 1 18 18 ILE H H . . . 1 1 18 18 ILE HA H . . . . . 2.58 2.10 3.06 . . . . . A . 16 ILE H . . A . 16 ILE HA . . . 16 . HN . . . . . 16 . HA . . rr_1v4z 1 168 1 . . 1 1 18 18 ILE HB H . . . 1 1 18 18 ILE H H . . . . . 2.91 2.36 3.46 . . . . . A . 16 ILE HB . . A . 16 ILE H . . . 16 . HB . . . . . 16 . HN . . rr_1v4z 1 169 1 . . 1 1 18 18 ILE MD H . . . 1 1 18 18 ILE H H . . . . . 3.69 2.76 4.62 . . . . . A . 16 ILE MD . . A . 16 ILE H . . . 16 . HD1* . . . . . 16 . HN . . rr_1v4z 1 170 1 . . 1 1 18 18 ILE HG13 H . . . 1 1 18 18 ILE H H . . . . . 2.96 2.40 3.52 . . . . . A . 16 ILE HG13 . . A . 16 ILE H . . . 16 . HG11 . . . . . 16 . HN . . rr_1v4z 1 171 1 . . 1 1 18 18 ILE HG12 H . . . 1 1 18 18 ILE H H . . . . . 3.12 2.52 3.72 . . . . . A . 16 ILE HG12 . . A . 16 ILE H . . . 16 . HG12 . . . . . 16 . HN . . rr_1v4z 1 172 1 . . 1 1 18 18 ILE MG H . . . 1 1 19 19 ALA H H . . . . . 3.15 2.35 3.95 . . . . . A . 16 ILE MG . . A . 17 ALA H . . . 16 . HG2* . . . . . 17 . HN . . rr_1v4z 1 173 1 . . 1 1 19 19 ALA H H . . . 1 1 19 19 ALA HA H . . . . . 2.96 2.40 3.52 . . . . . A . 17 ALA H . . A . 17 ALA HA . . . 17 . HN . . . . . 17 . HA . . rr_1v4z 1 174 1 . . 1 1 19 19 ALA MB H . . . 1 1 19 19 ALA H H . . . . . 3.06 2.27 3.85 . . . . . A . 17 ALA MB . . A . 17 ALA H . . . 17 . HB* . . . . . 17 . HN . . rr_1v4z 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 'message=off echo=off' 2 1 2 28 rr_1v4z 1 2 'message=on echo=on' 179 1 179 26 rr_1v4z 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_1v4z _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 METAL BINDING PROTEIN 20-NOV-03 1V4Z *TITLE SOLUTION STRUCTURE OF THE N-TERMINAL FRAGMENT OF S100C/A11 *TITLE 2 PROTEIN *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CALGIZZARIN; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: N-TERMINAL FRAGMENT; *COMPND 5 SYNONYM: S100C PROTEIN, MLN 70, S100C/A11; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THE SEQUENCE OF THE PEPTIDE WAS CHEMICALLY *SOURCE 4 SYNTHESIZED. THE SEQUENCE OF THE PEPTIDE IS NATURALLY *SOURCE 5 FOUND IN HOMO SAPIENS (HUMAN) *KEYWDS ALPHA-HELIX *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR T.KOUNO, M.MIZUGUCHI, M.SAKAGUCHI, E.MAKINO, N.HUH, K.KAWANO *REVDAT 1 22-MAR-05 1V4Z 0' save_