data_Remediated_restraints_file_for_PDB_entry_1niz # This BMRB archive file contains, for PDB entry 1niz: # # - 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_1niz _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1niz' _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 1niz' _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 1niz 'Master copy' rr_1niz stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1niz _Assembly.ID 1 _Assembly.Name 1niz _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 1907.2896 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 'Exterior membrane glycoprotein GP120' 1 $Exterior_membrane_glycoprotein_GP120_ A . no . . . . . . rr_1niz 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Exterior_membrane_glycoprotein_GP120_ _Entity.Sf_category entity _Entity.Sf_framecode Exterior_membrane_glycoprotein_GP120_ _Entity.Entry_ID rr_1niz _Entity.ID 1 _Entity.Name Exterior_membrane_glycoprotein_GP120_ _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code RKRIHIGPGRAFYTTK _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 16 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 1907.2896 loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ARG . rr_1niz 1 2 . LYS . rr_1niz 1 3 . ARG . rr_1niz 1 4 . ILE . rr_1niz 1 5 . HIS . rr_1niz 1 6 . ILE . rr_1niz 1 7 . GLY . rr_1niz 1 8 . PRO . rr_1niz 1 9 . GLY . rr_1niz 1 10 . ARG . rr_1niz 1 11 . ALA . rr_1niz 1 12 . PHE . rr_1niz 1 13 . TYR . rr_1niz 1 14 . THR . rr_1niz 1 15 . THR . rr_1niz 1 16 . LYS . rr_1niz 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ARG 1 1 rr_1niz 1 . LYS 2 2 rr_1niz 1 . ARG 3 3 rr_1niz 1 . ILE 4 4 rr_1niz 1 . HIS 5 5 rr_1niz 1 . ILE 6 6 rr_1niz 1 . GLY 7 7 rr_1niz 1 . PRO 8 8 rr_1niz 1 . GLY 9 9 rr_1niz 1 . ARG 10 10 rr_1niz 1 . ALA 11 11 rr_1niz 1 . PHE 12 12 rr_1niz 1 . TYR 13 13 rr_1niz 1 . THR 14 14 rr_1niz 1 . THR 15 15 rr_1niz 1 . LYS 16 16 rr_1niz 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_1niz _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_1niz _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_1niz 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_1niz 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 2 LYS C C 4.762 -2.222 -4.146 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_1niz 1 . 1 . 2 . 1 1 2 LYS CA C 6.188 -2.514 -3.698 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_1niz 1 . 1 . 3 . 1 1 2 LYS CB C 6.934 -1.209 -3.400 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_1niz 1 . 1 . 4 . 1 1 2 LYS CD C 6.858 1.165 -2.588 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_1niz 1 . 1 . 5 . 1 1 2 LYS CE C 7.679 0.994 -1.320 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_1niz 1 . 1 . 6 . 1 1 2 LYS CG C 6.049 -0.083 -2.900 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_1niz 1 . 1 . 7 . 1 1 2 LYS H H 7.275 -2.763 -5.484 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_1niz 1 . 1 . 8 . 1 1 2 LYS HA H 6.161 -3.119 -2.804 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_1niz 1 . 1 . 9 . 1 1 2 LYS HB2 H 7.686 -1.402 -2.652 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_1niz 1 . 1 . 10 . 1 1 2 LYS HB3 H 7.416 -0.877 -4.306 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_1niz 1 . 1 . 11 . 1 1 2 LYS HD2 H 7.526 1.364 -3.413 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_1niz 1 . 1 . 12 . 1 1 2 LYS HD3 H 6.183 1.996 -2.460 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_1niz 1 . 1 . 13 . 1 1 2 LYS HE2 H 7.086 1.314 -0.477 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_1niz 1 . 1 . 14 . 1 1 2 LYS HE3 H 7.930 -0.051 -1.207 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_1niz 1 . 1 . 15 . 1 1 2 LYS HG2 H 5.325 0.151 -3.665 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_1niz 1 . 1 . 16 . 1 1 2 LYS HG3 H 5.540 -0.407 -2.005 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_1niz 1 . 1 . 17 . 1 1 2 LYS HZ1 H 9.236 2.034 -0.394 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_1niz 1 . 1 . 18 . 1 1 2 LYS HZ2 H 8.783 2.672 -1.893 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_1niz 1 . 1 . 19 . 1 1 2 LYS HZ3 H 9.691 1.248 -1.822 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_1niz 1 . 1 . 20 . 1 1 2 LYS N N 6.901 -3.254 -4.724 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_1niz 1 . 1 . 21 . 1 1 2 LYS NZ N 8.935 1.793 -1.360 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_1niz 1 . 1 . 22 . 1 1 2 LYS O O 4.448 -2.291 -5.335 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_1niz 1 . 1 . 23 . 1 1 3 ARG C C 1.921 -0.646 -2.446 . . . 1.0 . . . . . . . . . . . . A . 6 ARG C . . . . . . . . . rr_1niz 1 . 1 . 24 . 1 1 3 ARG CA C 2.518 -1.573 -3.500 . . . 1.0 . . . . . . . . . . . . A . 6 ARG CA . . . . . . . . . rr_1niz 1 . 1 . 25 . 1 1 3 ARG CB C 1.691 -2.856 -3.602 . . . 1.0 . . . . . . . . . . . . A . 6 ARG CB . . . . . . . . . rr_1niz 1 . 1 . 26 . 1 1 3 ARG CD C 0.400 -4.359 -5.147 . . . 1.0 . . . . . . . . . . . . A . 6 ARG CD . . . . . . . . . rr_1niz 1 . 1 . 27 . 1 1 3 ARG CG C 1.556 -3.380 -5.023 . . . 1.0 . . . . . . . . . . . . A . 6 ARG CG . . . . . . . . . rr_1niz 1 . 1 . 28 . 1 1 3 ARG CZ C 0.041 -6.769 -4.778 . . . 1.0 . . . . . . . . . . . . A . 6 ARG CZ . . . . . . . . . rr_1niz 1 . 1 . 29 . 1 1 3 ARG H H 4.212 -1.840 -2.263 . . . 1.0 . . . . . . . . . . . . A . 6 ARG H . . . . . . . . . rr_1niz 1 . 1 . 30 . 1 1 3 ARG HA H 2.507 -1.070 -4.454 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HA . . . . . . . . . rr_1niz 1 . 1 . 31 . 1 1 3 ARG HB2 H 2.164 -3.625 -3.002 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HB2 . . . . . . . . . rr_1niz 1 . 1 . 32 . 1 1 3 ARG HB3 H 0.697 -2.663 -3.216 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HB3 . . . . . . . . . rr_1niz 1 . 1 . 33 . 1 1 3 ARG HD2 H -0.304 -4.167 -4.351 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HD2 . . . . . . . . . rr_1niz 1 . 1 . 34 . 1 1 3 ARG HD3 H -0.085 -4.205 -6.100 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HD3 . . . . . . . . . rr_1niz 1 . 1 . 35 . 1 1 3 ARG HE H 1.796 -5.927 -5.218 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HE . . . . . . . . . rr_1niz 1 . 1 . 36 . 1 1 3 ARG HG2 H 1.381 -2.545 -5.688 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HG2 . . . . . . . . . rr_1niz 1 . 1 . 37 . 1 1 3 ARG HG3 H 2.473 -3.882 -5.300 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HG3 . . . . . . . . . rr_1niz 1 . 1 . 38 . 1 1 3 ARG HH11 H -1.627 -5.637 -4.602 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HH11 . . . . . . . . . rr_1niz 1 . 1 . 39 . 1 1 3 ARG HH12 H -1.851 -7.335 -4.347 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HH12 . . . . . . . . . rr_1niz 1 . 1 . 40 . 1 1 3 ARG HH21 H 1.502 -8.161 -4.884 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HH21 . . . . . . . . . rr_1niz 1 . 1 . 41 . 1 1 3 ARG HH22 H -0.076 -8.768 -4.507 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HH22 . . . . . . . . . rr_1niz 1 . 1 . 42 . 1 1 3 ARG N N 3.904 -1.886 -3.192 . . . 1.0 . . . . . . . . . . . . A . 6 ARG N . . . . . . . . . rr_1niz 1 . 1 . 43 . 1 1 3 ARG NE N 0.846 -5.747 -5.059 . . . 1.0 . . . . . . . . . . . . A . 6 ARG NE . . . . . . . . . rr_1niz 1 . 1 . 44 . 1 1 3 ARG NH1 N -1.252 -6.563 -4.558 . . . 1.0 . . . . . . . . . . . . A . 6 ARG NH1 . . . . . . . . . rr_1niz 1 . 1 . 45 . 1 1 3 ARG NH2 N 0.529 -8.000 -4.719 . . . 1.0 . . . . . . . . . . . . A . 6 ARG NH2 . . . . . . . . . rr_1niz 1 . 1 . 46 . 1 1 3 ARG O O 1.783 -1.021 -1.282 . . . 1.0 . . . . . . . . . . . . A . 6 ARG O . . . . . . . . . rr_1niz 1 . 1 . 47 . 1 1 4 ILE C C -0.442 1.889 -2.365 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . rr_1niz 1 . 1 . 48 . 1 1 4 ILE CA C 0.987 1.548 -1.957 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . rr_1niz 1 . 1 . 49 . 1 1 4 ILE CB C 1.818 2.846 -1.916 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . rr_1niz 1 . 1 . 50 . 1 1 4 ILE CD1 C 3.969 2.790 -3.275 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . rr_1niz 1 . 1 . 51 . 1 1 4 ILE CG1 C 3.316 2.527 -1.935 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . rr_1niz 1 . 1 . 52 . 1 1 4 ILE CG2 C 1.459 3.664 -0.684 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . rr_1niz 1 . 1 . 53 . 1 1 4 ILE H H 1.705 0.805 -3.804 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . rr_1niz 1 . 1 . 54 . 1 1 4 ILE HA H 0.975 1.120 -0.964 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . rr_1niz 1 . 1 . 55 . 1 1 4 ILE HB H 1.571 3.431 -2.788 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . rr_1niz 1 . 1 . 56 . 1 1 4 ILE HD11 H 3.292 3.350 -3.902 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . rr_1niz 1 . 1 . 57 . 1 1 4 ILE HD12 H 4.206 1.849 -3.750 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . rr_1niz 1 . 1 . 58 . 1 1 4 ILE HD13 H 4.876 3.358 -3.128 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . rr_1niz 1 . 1 . 59 . 1 1 4 ILE HG12 H 3.820 3.139 -1.196 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . rr_1niz 1 . 1 . 60 . 1 1 4 ILE HG13 H 3.458 1.480 -1.695 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . rr_1niz 1 . 1 . 61 . 1 1 4 ILE HG21 H 0.689 4.377 -0.938 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . rr_1niz 1 . 1 . 62 . 1 1 4 ILE HG22 H 2.335 4.190 -0.334 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . rr_1niz 1 . 1 . 63 . 1 1 4 ILE HG23 H 1.099 3.006 0.093 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . rr_1niz 1 . 1 . 64 . 1 1 4 ILE N N 1.569 0.565 -2.864 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . rr_1niz 1 . 1 . 65 . 1 1 4 ILE O O -0.696 2.275 -3.506 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . rr_1niz 1 . 1 . 66 . 1 1 5 HIS C C -3.425 2.722 -0.494 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . rr_1niz 1 . 1 . 67 . 1 1 5 HIS CA C -2.776 2.037 -1.693 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . rr_1niz 1 . 1 . 68 . 1 1 5 HIS CB C -3.532 0.751 -2.031 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . rr_1niz 1 . 1 . 69 . 1 1 5 HIS CD2 C -1.843 -0.508 -3.546 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . rr_1niz 1 . 1 . 70 . 1 1 5 HIS CE1 C -3.094 -0.691 -5.338 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . rr_1niz 1 . 1 . 71 . 1 1 5 HIS CG C -3.034 0.076 -3.272 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . rr_1niz 1 . 1 . 72 . 1 1 5 HIS H H -1.109 1.432 -0.537 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . rr_1niz 1 . 1 . 73 . 1 1 5 HIS HA H -2.821 2.703 -2.541 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . rr_1niz 1 . 1 . 74 . 1 1 5 HIS HB2 H -3.428 0.052 -1.210 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . rr_1niz 1 . 1 . 75 . 1 1 5 HIS HB3 H -4.580 0.985 -2.176 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . rr_1niz 1 . 1 . 76 . 1 1 5 HIS HD1 H -4.713 0.269 -4.532 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD1 . . . . . . . . . rr_1niz 1 . 1 . 77 . 1 1 5 HIS HD2 H -1.000 -0.590 -2.875 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . rr_1niz 1 . 1 . 78 . 1 1 5 HIS HE1 H -3.435 -0.934 -6.333 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . rr_1niz 1 . 1 . 79 . 1 1 5 HIS HE2 H -1.159 -1.360 -5.339 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . rr_1niz 1 . 1 . 80 . 1 1 5 HIS N N -1.373 1.743 -1.427 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . rr_1niz 1 . 1 . 81 . 1 1 5 HIS ND1 N -3.795 -0.055 -4.415 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . rr_1niz 1 . 1 . 82 . 1 1 5 HIS NE2 N -1.907 -0.975 -4.836 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . rr_1niz 1 . 1 . 83 . 1 1 5 HIS O O -3.353 2.227 0.630 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . rr_1niz 1 . 1 . 84 . 1 1 6 ILE C C -6.088 5.115 -0.134 . . . 1.0 . . . . . . . . . . . . A . 9 ILE C . . . . . . . . . rr_1niz 1 . 1 . 85 . 1 1 6 ILE CA C -4.718 4.617 0.316 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CA . . . . . . . . . rr_1niz 1 . 1 . 86 . 1 1 6 ILE CB C -3.869 5.823 0.762 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CB . . . . . . . . . rr_1niz 1 . 1 . 87 . 1 1 6 ILE CD1 C -1.603 5.222 -0.229 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CD1 . . . . . . . . . rr_1niz 1 . 1 . 88 . 1 1 6 ILE CG1 C -2.427 5.388 1.030 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG1 . . . . . . . . . rr_1niz 1 . 1 . 89 . 1 1 6 ILE CG2 C -4.473 6.468 2.000 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG2 . . . . . . . . . rr_1niz 1 . 1 . 90 . 1 1 6 ILE H H -4.080 4.208 -1.660 . . . 1.0 . . . . . . . . . . . . A . 9 ILE H . . . . . . . . . rr_1niz 1 . 1 . 91 . 1 1 6 ILE HA H -4.845 3.960 1.163 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HA . . . . . . . . . rr_1niz 1 . 1 . 92 . 1 1 6 ILE HB H -3.875 6.553 -0.033 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HB . . . . . . . . . rr_1niz 1 . 1 . 93 . 1 1 6 ILE HD11 H -1.191 4.224 -0.260 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD11 . . . . . . . . . rr_1niz 1 . 1 . 94 . 1 1 6 ILE HD12 H -0.800 5.944 -0.230 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD12 . . . . . . . . . rr_1niz 1 . 1 . 95 . 1 1 6 ILE HD13 H -2.231 5.379 -1.093 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD13 . . . . . . . . . rr_1niz 1 . 1 . 96 . 1 1 6 ILE HG12 H -1.942 6.131 1.647 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG12 . . . . . . . . . rr_1niz 1 . 1 . 97 . 1 1 6 ILE HG13 H -2.435 4.439 1.550 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG13 . . . . . . . . . rr_1niz 1 . 1 . 98 . 1 1 6 ILE HG21 H -4.373 5.797 2.840 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG21 . . . . . . . . . rr_1niz 1 . 1 . 99 . 1 1 6 ILE HG22 H -5.519 6.673 1.825 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG22 . . . . . . . . . rr_1niz 1 . 1 . 100 . 1 1 6 ILE HG23 H -3.955 7.391 2.214 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG23 . . . . . . . . . rr_1niz 1 . 1 . 101 . 1 1 6 ILE N N -4.058 3.864 -0.743 . . . 1.0 . . . . . . . . . . . . A . 9 ILE N . . . . . . . . . rr_1niz 1 . 1 . 102 . 1 1 6 ILE O O -6.191 6.077 -0.895 . . . 1.0 . . . . . . . . . . . . A . 9 ILE O . . . . . . . . . rr_1niz 1 . 1 . 103 . 1 1 7 GLY C C -9.220 5.518 1.127 . . . 1.0 . . . . . . . . . . . . A . 10 GLY C . . . . . . . . . rr_1niz 1 . 1 . 104 . 1 1 7 GLY CA C -8.488 4.843 -0.018 . . . 1.0 . . . . . . . . . . . . A . 10 GLY CA . . . . . . . . . rr_1niz 1 . 1 . 105 . 1 1 7 GLY H H -6.993 3.695 0.947 . . . 1.0 . . . . . . . . . . . . A . 10 GLY H . . . . . . . . . rr_1niz 1 . 1 . 106 . 1 1 7 GLY HA2 H -8.443 5.526 -0.855 . . . 1.0 . . . . . . . . . . . . A . 10 GLY HA2 . . . . . . . . . rr_1niz 1 . 1 . 107 . 1 1 7 GLY HA3 H -9.038 3.959 -0.312 . . . 1.0 . . . . . . . . . . . . A . 10 GLY HA3 . . . . . . . . . rr_1niz 1 . 1 . 108 . 1 1 7 GLY N N -7.137 4.454 0.343 . . . 1.0 . . . . . . . . . . . . A . 10 GLY N . . . . . . . . . rr_1niz 1 . 1 . 109 . 1 1 7 GLY O O -8.609 6.245 1.911 . . . 1.0 . . . . . . . . . . . . A . 10 GLY O . . . . . . . . . rr_1niz 1 . 1 . 110 . 1 1 8 PRO C C -11.024 5.270 3.685 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . rr_1niz 1 . 1 . 111 . 1 1 8 PRO CA C -11.336 5.891 2.329 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . rr_1niz 1 . 1 . 112 . 1 1 8 PRO CB C -12.776 5.592 1.912 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . rr_1niz 1 . 1 . 113 . 1 1 8 PRO CD C -11.350 4.435 0.372 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . rr_1niz 1 . 1 . 114 . 1 1 8 PRO CG C -12.686 4.371 1.063 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . rr_1niz 1 . 1 . 115 . 1 1 8 PRO HA H -11.187 6.958 2.382 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . rr_1niz 1 . 1 . 116 . 1 1 8 PRO HB2 H -13.380 5.417 2.793 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . rr_1niz 1 . 1 . 117 . 1 1 8 PRO HB3 H -13.171 6.428 1.355 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . rr_1niz 1 . 1 . 118 . 1 1 8 PRO HD2 H -10.920 3.447 0.293 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . rr_1niz 1 . 1 . 119 . 1 1 8 PRO HD3 H -11.454 4.880 -0.607 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . rr_1niz 1 . 1 . 120 . 1 1 8 PRO HG2 H -12.747 3.488 1.681 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . rr_1niz 1 . 1 . 121 . 1 1 8 PRO HG3 H -13.483 4.373 0.334 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . rr_1niz 1 . 1 . 122 . 1 1 8 PRO N N -10.539 5.292 1.256 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . rr_1niz 1 . 1 . 123 . 1 1 8 PRO O O -11.873 4.617 4.292 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . rr_1niz 1 . 1 . 124 . 1 1 9 GLY C C -8.849 3.500 5.273 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . rr_1niz 1 . 1 . 125 . 1 1 9 GLY CA C -9.383 4.911 5.420 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . rr_1niz 1 . 1 . 126 . 1 1 9 GLY H H -9.159 5.989 3.614 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . rr_1niz 1 . 1 . 127 . 1 1 9 GLY HA2 H -8.611 5.537 5.844 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . rr_1niz 1 . 1 . 128 . 1 1 9 GLY HA3 H -10.231 4.896 6.089 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . rr_1niz 1 . 1 . 129 . 1 1 9 GLY N N -9.795 5.468 4.147 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . rr_1niz 1 . 1 . 130 . 1 1 9 GLY O O -8.886 2.711 6.217 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . rr_1niz 1 . 1 . 131 . 1 1 10 ARG C C -6.288 1.899 3.745 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . rr_1niz 1 . 1 . 132 . 1 1 10 ARG CA C -7.813 1.859 3.798 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . rr_1niz 1 . 1 . 133 . 1 1 10 ARG CB C -8.371 1.310 2.475 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . rr_1niz 1 . 1 . 134 . 1 1 10 ARG CD C -10.722 2.116 2.863 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . rr_1niz 1 . 1 . 135 . 1 1 10 ARG CG C -9.539 2.108 1.910 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . rr_1niz 1 . 1 . 136 . 1 1 10 ARG CZ C -12.696 0.727 3.358 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . rr_1niz 1 . 1 . 137 . 1 1 10 ARG H H -8.356 3.857 3.367 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . rr_1niz 1 . 1 . 138 . 1 1 10 ARG HA H -8.113 1.204 4.602 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . rr_1niz 1 . 1 . 139 . 1 1 10 ARG HB2 H -7.580 1.308 1.737 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . rr_1niz 1 . 1 . 140 . 1 1 10 ARG HB3 H -8.704 0.293 2.636 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . rr_1niz 1 . 1 . 141 . 1 1 10 ARG HD2 H -10.355 2.008 3.875 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . rr_1niz 1 . 1 . 142 . 1 1 10 ARG HD3 H -11.238 3.061 2.764 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . rr_1niz 1 . 1 . 143 . 1 1 10 ARG HE H -11.508 0.502 1.771 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . rr_1niz 1 . 1 . 144 . 1 1 10 ARG HG2 H -9.221 3.127 1.743 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . rr_1niz 1 . 1 . 145 . 1 1 10 ARG HG3 H -9.847 1.663 0.973 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . rr_1niz 1 . 1 . 146 . 1 1 10 ARG HH11 H -12.332 2.180 4.717 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . rr_1niz 1 . 1 . 147 . 1 1 10 ARG HH12 H -13.714 1.189 5.043 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . rr_1niz 1 . 1 . 148 . 1 1 10 ARG HH21 H -13.325 -0.803 2.197 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . rr_1niz 1 . 1 . 149 . 1 1 10 ARG HH22 H -14.277 -0.506 3.612 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . rr_1niz 1 . 1 . 150 . 1 1 10 ARG N N -8.355 3.183 4.079 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . rr_1niz 1 . 1 . 151 . 1 1 10 ARG NE N -11.659 1.031 2.581 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . rr_1niz 1 . 1 . 152 . 1 1 10 ARG NH1 N -12.933 1.422 4.463 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . rr_1niz 1 . 1 . 153 . 1 1 10 ARG NH2 N -13.499 -0.276 3.029 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . rr_1niz 1 . 1 . 154 . 1 1 10 ARG O O -5.694 1.925 2.667 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . rr_1niz 1 . 1 . 155 . 1 1 11 ALA C C -3.586 0.699 4.376 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1niz 1 . 1 . 156 . 1 1 11 ALA CA C -4.205 1.945 5.001 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1niz 1 . 1 . 157 . 1 1 11 ALA CB C -3.764 2.086 6.450 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1niz 1 . 1 . 158 . 1 1 11 ALA H H -6.187 1.887 5.742 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1niz 1 . 1 . 159 . 1 1 11 ALA HA H -3.862 2.815 4.459 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1niz 1 . 1 . 160 . 1 1 11 ALA HB1 H -3.740 3.132 6.719 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1niz 1 . 1 . 161 . 1 1 11 ALA HB2 H -2.778 1.661 6.569 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1niz 1 . 1 . 162 . 1 1 11 ALA HB3 H -4.461 1.565 7.090 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1niz 1 . 1 . 163 . 1 1 11 ALA N N -5.660 1.907 4.916 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1niz 1 . 1 . 164 . 1 1 11 ALA O O -3.245 -0.254 5.076 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1niz 1 . 1 . 165 . 1 1 12 PHE C C -1.458 -0.091 1.854 . . . 1.0 . . . . . . . . . . . . A . 15 PHE C . . . . . . . . . rr_1niz 1 . 1 . 166 . 1 1 12 PHE CA C -2.869 -0.416 2.335 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CA . . . . . . . . . rr_1niz 1 . 1 . 167 . 1 1 12 PHE CB C -3.755 -0.794 1.146 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CB . . . . . . . . . rr_1niz 1 . 1 . 168 . 1 1 12 PHE CD1 C -4.813 -2.828 2.165 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CD1 . . . . . . . . . rr_1niz 1 . 1 . 169 . 1 1 12 PHE CD2 C -6.237 -1.146 1.253 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CD2 . . . . . . . . . rr_1niz 1 . 1 . 170 . 1 1 12 PHE CE1 C -5.919 -3.577 2.520 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CE1 . . . . . . . . . rr_1niz 1 . 1 . 171 . 1 1 12 PHE CE2 C -7.347 -1.891 1.605 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CE2 . . . . . . . . . rr_1niz 1 . 1 . 172 . 1 1 12 PHE CG C -4.959 -1.606 1.529 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CG . . . . . . . . . rr_1niz 1 . 1 . 173 . 1 1 12 PHE CZ C -7.188 -3.108 2.239 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CZ . . . . . . . . . rr_1niz 1 . 1 . 174 . 1 1 12 PHE H H -3.738 1.502 2.552 . . . 1.0 . . . . . . . . . . . . A . 15 PHE H . . . . . . . . . rr_1niz 1 . 1 . 175 . 1 1 12 PHE HA H -2.821 -1.252 3.016 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HA . . . . . . . . . rr_1niz 1 . 1 . 176 . 1 1 12 PHE HB2 H -4.103 0.108 0.664 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HB2 . . . . . . . . . rr_1niz 1 . 1 . 177 . 1 1 12 PHE HB3 H -3.174 -1.371 0.442 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HB3 . . . . . . . . . rr_1niz 1 . 1 . 178 . 1 1 12 PHE HD1 H -3.822 -3.195 2.385 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HD1 . . . . . . . . . rr_1niz 1 . 1 . 179 . 1 1 12 PHE HD2 H -6.363 -0.195 0.757 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HD2 . . . . . . . . . rr_1niz 1 . 1 . 180 . 1 1 12 PHE HE1 H -5.792 -4.528 3.015 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HE1 . . . . . . . . . rr_1niz 1 . 1 . 181 . 1 1 12 PHE HE2 H -8.338 -1.521 1.385 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HE2 . . . . . . . . . rr_1niz 1 . 1 . 182 . 1 1 12 PHE HZ H -8.054 -3.691 2.515 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HZ . . . . . . . . . rr_1niz 1 . 1 . 183 . 1 1 12 PHE N N -3.446 0.714 3.055 . . . 1.0 . . . . . . . . . . . . A . 15 PHE N . . . . . . . . . rr_1niz 1 . 1 . 184 . 1 1 12 PHE O O -1.105 -0.357 0.705 . . . 1.0 . . . . . . . . . . . . A . 15 PHE O . . . . . . . . . rr_1niz 1 . 1 . 185 . 1 1 13 TYR C C 1.668 -0.310 2.723 . . . 1.0 . . . . . . . . . . . . A . 16 TYR C . . . . . . . . . rr_1niz 1 . 1 . 186 . 1 1 13 TYR CA C 0.718 0.844 2.414 . . . 1.0 . . . . . . . . . . . . A . 16 TYR CA . . . . . . . . . rr_1niz 1 . 1 . 187 . 1 1 13 TYR CB C 1.137 2.096 3.191 . . . 1.0 . . . . . . . . . . . . A . 16 TYR CB . . . . . . . . . rr_1niz 1 . 1 . 188 . 1 1 13 TYR CD1 C 3.604 1.788 3.638 . . . 1.0 . . . . . . . . . . . . A . 16 TYR CD1 . . . . . . . . . rr_1niz 1 . 1 . 189 . 1 1 13 TYR CD2 C 2.937 3.544 2.170 . . . 1.0 . . . . . . . . . . . . A . 16 TYR CD2 . . . . . . . . . rr_1niz 1 . 1 . 190 . 1 1 13 TYR CE1 C 4.929 2.139 3.463 . . . 1.0 . . . . . . . . . . . . A . 16 TYR CE1 . . . . . . . . . rr_1niz 1 . 1 . 191 . 1 1 13 TYR CE2 C 4.260 3.901 1.990 . . . 1.0 . . . . . . . . . . . . A . 16 TYR CE2 . . . . . . . . . rr_1niz 1 . 1 . 192 . 1 1 13 TYR CG C 2.587 2.483 2.995 . . . 1.0 . . . . . . . . . . . . A . 16 TYR CG . . . . . . . . . rr_1niz 1 . 1 . 193 . 1 1 13 TYR CZ C 5.251 3.196 2.639 . . . 1.0 . . . . . . . . . . . . A . 16 TYR CZ . . . . . . . . . rr_1niz 1 . 1 . 194 . 1 1 13 TYR H H -0.995 0.669 3.644 . . . 1.0 . . . . . . . . . . . . A . 16 TYR H . . . . . . . . . rr_1niz 1 . 1 . 195 . 1 1 13 TYR HA H 0.761 1.056 1.356 . . . 1.0 . . . . . . . . . . . . A . 16 TYR HA . . . . . . . . . rr_1niz 1 . 1 . 196 . 1 1 13 TYR HB2 H 0.528 2.928 2.871 . . . 1.0 . . . . . . . . . . . . A . 16 TYR HB2 . . . . . . . . . rr_1niz 1 . 1 . 197 . 1 1 13 TYR HB3 H 0.978 1.925 4.245 . . . 1.0 . . . . . . . . . . . . A . 16 TYR HB3 . . . . . . . . . rr_1niz 1 . 1 . 198 . 1 1 13 TYR HD1 H 3.348 0.961 4.283 . . . 1.0 . . . . . . . . . . . . A . 16 TYR HD1 . . . . . . . . . rr_1niz 1 . 1 . 199 . 1 1 13 TYR HD2 H 2.158 4.095 1.664 . . . 1.0 . . . . . . . . . . . . A . 16 TYR HD2 . . . . . . . . . rr_1niz 1 . 1 . 200 . 1 1 13 TYR HE1 H 5.705 1.587 3.971 . . . 1.0 . . . . . . . . . . . . A . 16 TYR HE1 . . . . . . . . . rr_1niz 1 . 1 . 201 . 1 1 13 TYR HE2 H 4.512 4.729 1.344 . . . 1.0 . . . . . . . . . . . . A . 16 TYR HE2 . . . . . . . . . rr_1niz 1 . 1 . 202 . 1 1 13 TYR HH H 6.987 3.668 3.319 . . . 1.0 . . . . . . . . . . . . A . 16 TYR HH . . . . . . . . . rr_1niz 1 . 1 . 203 . 1 1 13 TYR N N -0.655 0.484 2.743 . . . 1.0 . . . . . . . . . . . . A . 16 TYR N . . . . . . . . . rr_1niz 1 . 1 . 204 . 1 1 13 TYR O O 1.870 -0.667 3.884 . . . 1.0 . . . . . . . . . . . . A . 16 TYR O . . . . . . . . . rr_1niz 1 . 1 . 205 . 1 1 13 TYR OH O 6.570 3.549 2.462 . . . 1.0 . . . . . . . . . . . . A . 16 TYR OH . . . . . . . . . rr_1niz 1 . 1 . 206 . 1 1 14 THR C C 4.367 -1.859 0.895 . . . 1.0 . . . . . . . . . . . . A . 17 THR C . . . . . . . . . rr_1niz 1 . 1 . 207 . 1 1 14 THR CA C 3.176 -2.003 1.837 . . . 1.0 . . . . . . . . . . . . A . 17 THR CA . . . . . . . . . rr_1niz 1 . 1 . 208 . 1 1 14 THR CB C 2.462 -3.330 1.576 . . . 1.0 . . . . . . . . . . . . A . 17 THR CB . . . . . . . . . rr_1niz 1 . 1 . 209 . 1 1 14 THR CG2 C 1.124 -3.437 2.275 . . . 1.0 . . . . . . . . . . . . A . 17 THR CG2 . . . . . . . . . rr_1niz 1 . 1 . 210 . 1 1 14 THR H H 2.047 -0.560 0.776 . . . 1.0 . . . . . . . . . . . . A . 17 THR H . . . . . . . . . rr_1niz 1 . 1 . 211 . 1 1 14 THR HA H 3.534 -1.991 2.855 . . . 1.0 . . . . . . . . . . . . A . 17 THR HA . . . . . . . . . rr_1niz 1 . 1 . 212 . 1 1 14 THR HB H 3.086 -4.138 1.930 . . . 1.0 . . . . . . . . . . . . A . 17 THR HB . . . . . . . . . rr_1niz 1 . 1 . 213 . 1 1 14 THR HG1 H 2.616 -4.354 -0.087 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG1 . . . . . . . . . rr_1niz 1 . 1 . 214 . 1 1 14 THR HG21 H 0.340 -3.117 1.604 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG21 . . . . . . . . . rr_1niz 1 . 1 . 215 . 1 1 14 THR HG22 H 1.125 -2.808 3.153 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG22 . . . . . . . . . rr_1niz 1 . 1 . 216 . 1 1 14 THR HG23 H 0.951 -4.463 2.567 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG23 . . . . . . . . . rr_1niz 1 . 1 . 217 . 1 1 14 THR N N 2.248 -0.889 1.677 . . . 1.0 . . . . . . . . . . . . A . 17 THR N . . . . . . . . . rr_1niz 1 . 1 . 218 . 1 1 14 THR O O 4.218 -1.928 -0.325 . . . 1.0 . . . . . . . . . . . . A . 17 THR O . . . . . . . . . rr_1niz 1 . 1 . 219 . 1 1 14 THR OG1 O 2.238 -3.515 0.189 . . . 1.0 . . . . . . . . . . . . A . 17 THR OG1 . . . . . . . . . rr_1niz 1 . 1 . 220 . 1 1 15 THR C C 7.433 -2.853 0.445 . . . 1.0 . . . . . . . . . . . . A . 18 THR C . . . . . . . . . rr_1niz 1 . 1 . 221 . 1 1 15 THR CA C 6.765 -1.503 0.684 . . . 1.0 . . . . . . . . . . . . A . 18 THR CA . . . . . . . . . rr_1niz 1 . 1 . 222 . 1 1 15 THR CB C 7.738 -0.558 1.392 . . . 1.0 . . . . . . . . . . . . A . 18 THR CB . . . . . . . . . rr_1niz 1 . 1 . 223 . 1 1 15 THR CG2 C 7.073 0.688 1.937 . . . 1.0 . . . . . . . . . . . . A . 18 THR CG2 . . . . . . . . . rr_1niz 1 . 1 . 224 . 1 1 15 THR H H 5.601 -1.611 2.448 . . . 1.0 . . . . . . . . . . . . A . 18 THR H . . . . . . . . . rr_1niz 1 . 1 . 225 . 1 1 15 THR HA H 6.492 -1.075 -0.269 . . . 1.0 . . . . . . . . . . . . A . 18 THR HA . . . . . . . . . rr_1niz 1 . 1 . 226 . 1 1 15 THR HB H 8.497 -0.247 0.690 . . . 1.0 . . . . . . . . . . . . A . 18 THR HB . . . . . . . . . rr_1niz 1 . 1 . 227 . 1 1 15 THR HG1 H 7.713 -1.511 3.103 . . . 1.0 . . . . . . . . . . . . A . 18 THR HG1 . . . . . . . . . rr_1niz 1 . 1 . 228 . 1 1 15 THR HG21 H 6.013 0.649 1.733 . . . 1.0 . . . . . . . . . . . . A . 18 THR HG21 . . . . . . . . . rr_1niz 1 . 1 . 229 . 1 1 15 THR HG22 H 7.499 1.560 1.463 . . . 1.0 . . . . . . . . . . . . A . 18 THR HG22 . . . . . . . . . rr_1niz 1 . 1 . 230 . 1 1 15 THR HG23 H 7.231 0.744 3.004 . . . 1.0 . . . . . . . . . . . . A . 18 THR HG23 . . . . . . . . . rr_1niz 1 . 1 . 231 . 1 1 15 THR N N 5.547 -1.657 1.471 . . . 1.0 . . . . . . . . . . . . A . 18 THR N . . . . . . . . . rr_1niz 1 . 1 . 232 . 1 1 15 THR O O 7.857 -3.158 -0.670 . . . 1.0 . . . . . . . . . . . . A . 18 THR O . . . . . . . . . rr_1niz 1 . 1 . 233 . 1 1 15 THR OG1 O 8.375 -1.213 2.474 . . . 1.0 . . . . . . . . . . . . A . 18 THR OG1 . . . . . . . . . rr_1niz 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_1niz _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 1niz.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1niz 1 1 1niz.mr . . XPLOR/CNS 2 distance NOE simple 206 rr_1niz 1 1 1niz.mr . . XPLOR/CNS 3 distance NOE simple 98 rr_1niz 1 1 1niz.mr . . XPLOR/CNS 4 distance 'hydrogen bond' simple 4 rr_1niz 1 1 1niz.mr . . XPLOR/CNS 5 'dihedral angle' 'Not applicable' 'Not applicable' 10 rr_1niz 1 1 1niz.mr . . 'MR format' 6 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1niz 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_1niz _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_1niz 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 2 2 LYS HA H . . . 1 1 2 2 LYS HE3 H . . . . . 4.15 1.8 5.40 . . . . . A . 5 LYS HA . . A . 5 LYS HE3 . . . 5 . HA . . . . . 5 . HE1 . . rr_1niz 1 2 1 . . 1 1 2 2 LYS HA H . . . 1 1 2 2 LYS HE2 H . . . . . 4.15 1.8 5.40 . . . . . A . 5 LYS HA . . A . 5 LYS HE2 . . . 5 . HA . . . . . 5 . HE2 . . rr_1niz 1 3 1 OR . 1 1 2 2 LYS HA H . . . 1 1 4 4 ILE HG12 H . . . . . 4.11 1.8 5.34 . . . . . A . 5 LYS HA . . A . 7 ILE HG12 . . . 5 . HA . . . . . 7 . HG1# . . rr_1niz 1 3 2 OR . 1 1 2 2 LYS HA H . . . 1 1 4 4 ILE HG13 H . . . . . 4.11 1.8 5.34 . . . . . A . 5 LYS HA . . A . 7 ILE HG13 . . . 5 . HA . . . . . 7 . HG1# . . rr_1niz 1 4 1 . . 1 1 2 2 LYS HA H . . . 1 1 4 4 ILE MD H . . . . . 4.45 1.8 5.79 . . . . . A . 5 LYS HA . . A . 7 ILE MD . . . 5 . HA . . . . . 7 . HD# . . rr_1niz 1 5 1 . . 1 1 2 2 LYS HA H . . . 1 1 3 3 ARG HA H . . . . . 3.88 1.8 5.04 . . . . . A . 5 LYS HA . . A . 6 ARG HA . . . 5 . HA . . . . . 6 . HA . . rr_1niz 1 6 1 OR . 1 1 4 4 ILE MD H . . . 1 1 2 2 LYS HB2 H . . . . . 4.14 1.8 5.38 . . . . . A . 7 ILE MD . . A . 5 LYS HB2 . . . 7 . HD# . . . . . 5 . HB# . . rr_1niz 1 6 2 OR . 1 1 4 4 ILE MD H . . . 1 1 2 2 LYS HB3 H . . . . . 4.14 1.8 5.38 . . . . . A . 7 ILE MD . . A . 5 LYS HB3 . . . 7 . HD# . . . . . 5 . HB# . . rr_1niz 1 7 1 OR . 1 1 2 2 LYS HB3 H . . . 1 1 4 4 ILE HG13 H . . . . . 4.23 1.8 5.50 . . . . . A . 5 LYS HB3 . . A . 7 ILE HG13 . . . 5 . HB# . . . . . 7 . HG11 . . rr_1niz 1 7 2 OR . 1 1 2 2 LYS HB2 H . . . 1 1 4 4 ILE HG13 H . . . . . 4.23 1.8 5.50 . . . . . A . 5 LYS HB2 . . A . 7 ILE HG13 . . . 5 . HB# . . . . . 7 . HG11 . . rr_1niz 1 8 1 OR . 1 1 2 2 LYS HB3 H . . . 1 1 4 4 ILE HG12 H . . . . . 4.23 1.8 5.50 . . . . . A . 5 LYS HB3 . . A . 7 ILE HG12 . . . 5 . HB# . . . . . 7 . HG12 . . rr_1niz 1 8 2 OR . 1 1 4 4 ILE HG12 H . . . 1 1 2 2 LYS HB2 H . . . . . 4.23 1.8 5.50 . . . . . A . 7 ILE HG12 . . A . 5 LYS HB2 . . . 7 . HG12 . . . . . 5 . HB# . . rr_1niz 1 9 1 OR . 1 1 2 2 LYS HB2 H . . . 1 1 2 2 LYS HE2 H . . . . . 4.46 1.8 5.80 . . . . . A . 5 LYS HB2 . . A . 5 LYS HE2 . . . 5 . HB# . . . . . 5 . HE# . . rr_1niz 1 9 2 OR . 1 1 2 2 LYS HB3 H . . . 1 1 2 2 LYS HE2 H . . . . . 4.46 1.8 5.80 . . . . . A . 5 LYS HB3 . . A . 5 LYS HE2 . . . 5 . HB# . . . . . 5 . HE# . . rr_1niz 1 9 3 OR . 1 1 2 2 LYS HE3 H . . . 1 1 2 2 LYS HB2 H . . . . . 4.46 1.8 5.80 . . . . . A . 5 LYS HE3 . . A . 5 LYS HB2 . . . 5 . HE# . . . . . 5 . HB# . . rr_1niz 1 9 4 OR . 1 1 2 2 LYS HB3 H . . . 1 1 2 2 LYS HE3 H . . . . . 4.46 1.8 5.80 . . . . . A . 5 LYS HB3 . . A . 5 LYS HE3 . . . 5 . HB# . . . . . 5 . HE# . . rr_1niz 1 10 1 OR . 1 1 2 2 LYS HA H . . . 1 1 2 2 LYS HB2 H . . . . . 3.14 1.8 4.08 . . . . . A . 5 LYS HA . . A . 5 LYS HB2 . . . 5 . HA . . . . . 5 . HB# . . rr_1niz 1 10 2 OR . 1 1 2 2 LYS HA H . . . 1 1 2 2 LYS HB3 H . . . . . 3.14 1.8 4.08 . . . . . A . 5 LYS HA . . A . 5 LYS HB3 . . . 5 . HA . . . . . 5 . HB# . . rr_1niz 1 11 1 OR . 1 1 2 2 LYS HB2 H . . . 1 1 2 2 LYS HG3 H . . . . . 3.22 1.8 4.19 . . . . . A . 5 LYS HB2 . . A . 5 LYS HG3 . . . 5 . HB# . . . . . 5 . HG1 . . rr_1niz 1 11 2 OR . 1 1 2 2 LYS HB3 H . . . 1 1 2 2 LYS HG3 H . . . . . 3.22 1.8 4.19 . . . . . A . 5 LYS HB3 . . A . 5 LYS HG3 . . . 5 . HB# . . . . . 5 . HG1 . . rr_1niz 1 12 1 OR . 1 1 2 2 LYS HG2 H . . . 1 1 2 2 LYS HB2 H . . . . . 3.22 1.8 4.19 . . . . . A . 5 LYS HG2 . . A . 5 LYS HB2 . . . 5 . HG2 . . . . . 5 . HB# . . rr_1niz 1 12 2 OR . 1 1 2 2 LYS HB3 H . . . 1 1 2 2 LYS HG2 H . . . . . 3.22 1.8 4.19 . . . . . A . 5 LYS HB3 . . A . 5 LYS HG2 . . . 5 . HB# . . . . . 5 . HG2 . . rr_1niz 1 13 1 OR . 1 1 3 3 ARG HA H . . . 1 1 2 2 LYS HB2 H . . . . . 3.47 1.8 4.51 . . . . . A . 6 ARG HA . . A . 5 LYS HB2 . . . 6 . HA . . . . . 5 . HB# . . rr_1niz 1 13 2 OR . 1 1 3 3 ARG HA H . . . 1 1 2 2 LYS HB3 H . . . . . 3.47 1.8 4.51 . . . . . A . 6 ARG HA . . A . 5 LYS HB3 . . . 6 . HA . . . . . 5 . HB# . . rr_1niz 1 14 1 OR . 1 1 15 15 THR MG H . . . 1 1 2 2 LYS HB2 H . . . . . 5.04 1.8 6.55 . . . . . A . 18 THR MG . . A . 5 LYS HB2 . . . 18 . HG2# . . . . . 5 . HB# . . rr_1niz 1 14 2 OR . 1 1 2 2 LYS HB3 H . . . 1 1 15 15 THR MG H . . . . . 5.04 1.8 6.55 . . . . . A . 5 LYS HB3 . . A . 18 THR MG . . . 5 . HB# . . . . . 18 . HG2# . . rr_1niz 1 15 1 OR . 1 1 4 4 ILE MD H . . . 1 1 2 2 LYS HD3 H . . . . . 3.87 1.8 5.03 . . . . . A . 7 ILE MD . . A . 5 LYS HD3 . . . 7 . HD# . . . . . 5 . HD# . . rr_1niz 1 15 2 OR . 1 1 4 4 ILE MD H . . . 1 1 2 2 LYS HD2 H . . . . . 3.87 1.8 5.03 . . . . . A . 7 ILE MD . . A . 5 LYS HD2 . . . 7 . HD# . . . . . 5 . HD# . . rr_1niz 1 16 1 OR . 1 1 2 2 LYS HA H . . . 1 1 2 2 LYS HD3 H . . . . . 3.49 1.8 4.54 . . . . . A . 5 LYS HA . . A . 5 LYS HD3 . . . 5 . HA . . . . . 5 . HD# . . rr_1niz 1 16 2 OR . 1 1 2 2 LYS HA H . . . 1 1 2 2 LYS HD2 H . . . . . 3.49 1.8 4.54 . . . . . A . 5 LYS HA . . A . 5 LYS HD2 . . . 5 . HA . . . . . 5 . HD# . . rr_1niz 1 17 1 OR . 1 1 3 3 ARG HA H . . . 1 1 2 2 LYS HD3 H . . . . . 4.30 1.8 5.59 . . . . . A . 6 ARG HA . . A . 5 LYS HD3 . . . 6 . HA . . . . . 5 . HD# . . rr_1niz 1 17 2 OR . 1 1 3 3 ARG HA H . . . 1 1 2 2 LYS HD2 H . . . . . 4.30 1.8 5.59 . . . . . A . 6 ARG HA . . A . 5 LYS HD2 . . . 6 . HA . . . . . 5 . HD# . . rr_1niz 1 18 1 OR . 1 1 4 4 ILE MD H . . . 1 1 2 2 LYS HE2 H . . . . . 4.63 1.8 6.02 . . . . . A . 7 ILE MD . . A . 5 LYS HE2 . . . 7 . HD# . . . . . 5 . HE# . . rr_1niz 1 18 2 OR . 1 1 4 4 ILE MD H . . . 1 1 2 2 LYS HE3 H . . . . . 4.63 1.8 6.02 . . . . . A . 7 ILE MD . . A . 5 LYS HE3 . . . 7 . HD# . . . . . 5 . HE# . . rr_1niz 1 19 1 OR . 1 1 13 13 TYR QE H . . . 1 1 2 2 LYS HE2 H . . . . . 4.46 1.8 5.80 . . . . . A . 16 TYR QE . . A . 5 LYS HE2 . . . 16 . HE# . . . . . 5 . HE# . . rr_1niz 1 19 2 OR . 1 1 2 2 LYS HE3 H . . . 1 1 13 13 TYR QE H . . . . . 4.46 1.8 5.80 . . . . . A . 5 LYS HE3 . . A . 16 TYR QE . . . 5 . HE# . . . . . 16 . HE# . . rr_1niz 1 20 1 OR . 1 1 15 15 THR HB H . . . 1 1 2 2 LYS HE2 H . . . . . 3.80 1.8 4.94 . . . . . A . 18 THR HB . . A . 5 LYS HE2 . . . 18 . HB . . . . . 5 . HE# . . rr_1niz 1 20 2 OR . 1 1 2 2 LYS HE3 H . . . 1 1 15 15 THR HB H . . . . . 3.80 1.8 4.94 . . . . . A . 5 LYS HE3 . . A . 18 THR HB . . . 5 . HE# . . . . . 18 . HB . . rr_1niz 1 21 1 OR . 1 1 2 2 LYS HD2 H . . . 1 1 2 2 LYS HE2 H . . . . . 3.28 1.8 4.26 . . . . . A . 5 LYS HD2 . . A . 5 LYS HE2 . . . 5 . HD# . . . . . 5 . HE# . . rr_1niz 1 21 2 OR . 1 1 2 2 LYS HD3 H . . . 1 1 2 2 LYS HE2 H . . . . . 3.28 1.8 4.26 . . . . . A . 5 LYS HD3 . . A . 5 LYS HE2 . . . 5 . HD# . . . . . 5 . HE# . . rr_1niz 1 21 3 OR . 1 1 2 2 LYS HE3 H . . . 1 1 2 2 LYS HD3 H . . . . . 3.28 1.8 4.26 . . . . . A . 5 LYS HE3 . . A . 5 LYS HD3 . . . 5 . HE# . . . . . 5 . HD# . . rr_1niz 1 21 4 OR . 1 1 2 2 LYS HE3 H . . . 1 1 2 2 LYS HD2 H . . . . . 3.28 1.8 4.26 . . . . . A . 5 LYS HE3 . . A . 5 LYS HD2 . . . 5 . HE# . . . . . 5 . HD# . . rr_1niz 1 22 1 OR . 1 1 2 2 LYS HE3 H . . . 1 1 2 2 LYS HG3 H . . . . . 3.17 1.8 4.12 . . . . . A . 5 LYS HE3 . . A . 5 LYS HG3 . . . 5 . HE# . . . . . 5 . HG1 . . rr_1niz 1 22 2 OR . 1 1 2 2 LYS HE2 H . . . 1 1 2 2 LYS HG3 H . . . . . 3.17 1.8 4.12 . . . . . A . 5 LYS HE2 . . A . 5 LYS HG3 . . . 5 . HE# . . . . . 5 . HG1 . . rr_1niz 1 23 1 OR . 1 1 2 2 LYS HG2 H . . . 1 1 2 2 LYS HE2 H . . . . . 3.17 1.8 4.12 . . . . . A . 5 LYS HG2 . . A . 5 LYS HE2 . . . 5 . HG2 . . . . . 5 . HE# . . rr_1niz 1 23 2 OR . 1 1 2 2 LYS HE3 H . . . 1 1 2 2 LYS HG2 H . . . . . 3.17 1.8 4.12 . . . . . A . 5 LYS HE3 . . A . 5 LYS HG2 . . . 5 . HE# . . . . . 5 . HG2 . . rr_1niz 1 24 1 OR . 1 1 3 3 ARG HA H . . . 1 1 2 2 LYS HE2 H . . . . . 4.43 1.8 5.76 . . . . . A . 6 ARG HA . . A . 5 LYS HE2 . . . 6 . HA . . . . . 5 . HE# . . rr_1niz 1 24 2 OR . 1 1 3 3 ARG HA H . . . 1 1 2 2 LYS HE3 H . . . . . 4.43 1.8 5.76 . . . . . A . 6 ARG HA . . A . 5 LYS HE3 . . . 6 . HA . . . . . 5 . HE# . . rr_1niz 1 25 1 . . 1 1 4 4 ILE MD H . . . 1 1 2 2 LYS HG3 H . . . . . 4.01 1.8 5.21 . . . . . A . 7 ILE MD . . A . 5 LYS HG3 . . . 7 . HD# . . . . . 5 . HG1 . . rr_1niz 1 26 1 OR . 1 1 4 4 ILE MG H . . . 1 1 2 2 LYS HG3 H . . . . . 4.48 1.8 5.82 . . . . . A . 7 ILE MG . . A . 5 LYS HG3 . . . 7 . HG# . . . . . 5 . HG1 . . rr_1niz 1 26 2 OR . 1 1 4 4 ILE HG12 H . . . 1 1 2 2 LYS HG3 H . . . . . 4.48 1.8 5.82 . . . . . A . 7 ILE HG12 . . A . 5 LYS HG3 . . . 7 . HG# . . . . . 5 . HG1 . . rr_1niz 1 26 3 OR . 1 1 2 2 LYS HG3 H . . . 1 1 4 4 ILE HG13 H . . . . . 4.48 1.8 5.82 . . . . . A . 5 LYS HG3 . . A . 7 ILE HG13 . . . 5 . HG1 . . . . . 7 . HG# . . rr_1niz 1 27 1 . . 1 1 2 2 LYS HA H . . . 1 1 2 2 LYS HG3 H . . . . . 3.07 1.8 3.99 . . . . . A . 5 LYS HA . . A . 5 LYS HG3 . . . 5 . HA . . . . . 5 . HG1 . . rr_1niz 1 28 1 OR . 1 1 2 2 LYS HB2 H . . . 1 1 2 2 LYS HG3 H . . . . . 3.07 1.8 3.99 . . . . . A . 5 LYS HB2 . . A . 5 LYS HG3 . . . 5 . HB# . . . . . 5 . HG1 . . rr_1niz 1 28 2 OR . 1 1 2 2 LYS HB3 H . . . 1 1 2 2 LYS HG3 H . . . . . 3.07 1.8 3.99 . . . . . A . 5 LYS HB3 . . A . 5 LYS HG3 . . . 5 . HB# . . . . . 5 . HG1 . . rr_1niz 1 29 1 OR . 1 1 15 15 THR MG H . . . 1 1 2 2 LYS HG3 H . . . . . 3.77 1.8 4.90 . . . . . A . 18 THR MG . . A . 5 LYS HG3 . . . 18 . HG2# . . . . . 5 . HG# . . rr_1niz 1 29 2 OR . 1 1 15 15 THR MG H . . . 1 1 2 2 LYS HG2 H . . . . . 3.77 1.8 4.90 . . . . . A . 18 THR MG . . A . 5 LYS HG2 . . . 18 . HG2# . . . . . 5 . HG# . . rr_1niz 1 30 1 OR . 1 1 2 2 LYS HG3 H . . . 1 1 4 4 ILE HG13 H . . . . . 4.17 1.8 5.42 . . . . . A . 5 LYS HG3 . . A . 7 ILE HG13 . . . 5 . HG# . . . . . 7 . HG1# . . rr_1niz 1 30 2 OR . 1 1 4 4 ILE HG12 H . . . 1 1 2 2 LYS HG2 H . . . . . 4.17 1.8 5.42 . . . . . A . 7 ILE HG12 . . A . 5 LYS HG2 . . . 7 . HG1# . . . . . 5 . HG# . . rr_1niz 1 30 3 OR . 1 1 2 2 LYS HG2 H . . . 1 1 4 4 ILE HG13 H . . . . . 4.17 1.8 5.42 . . . . . A . 5 LYS HG2 . . A . 7 ILE HG13 . . . 5 . HG# . . . . . 7 . HG1# . . rr_1niz 1 30 4 OR . 1 1 4 4 ILE HG12 H . . . 1 1 2 2 LYS HG3 H . . . . . 4.17 1.8 5.42 . . . . . A . 7 ILE HG12 . . A . 5 LYS HG3 . . . 7 . HG1# . . . . . 5 . HG# . . rr_1niz 1 31 1 . . 1 1 4 4 ILE MD H . . . 1 1 2 2 LYS HG2 H . . . . . 4.01 1.8 5.21 . . . . . A . 7 ILE MD . . A . 5 LYS HG2 . . . 7 . HD# . . . . . 5 . HG2 . . rr_1niz 1 32 1 OR . 1 1 2 2 LYS HG2 H . . . 1 1 4 4 ILE MG H . . . . . 4.48 1.8 5.82 . . . . . A . 5 LYS HG2 . . A . 7 ILE MG . . . 5 . HG2 . . . . . 7 . HG# . . rr_1niz 1 32 2 OR . 1 1 4 4 ILE HG12 H . . . 1 1 2 2 LYS HG2 H . . . . . 4.48 1.8 5.82 . . . . . A . 7 ILE HG12 . . A . 5 LYS HG2 . . . 7 . HG# . . . . . 5 . HG2 . . rr_1niz 1 32 3 OR . 1 1 2 2 LYS HG2 H . . . 1 1 4 4 ILE HG13 H . . . . . 4.48 1.8 5.82 . . . . . A . 5 LYS HG2 . . A . 7 ILE HG13 . . . 5 . HG2 . . . . . 7 . HG# . . rr_1niz 1 33 1 . . 1 1 2 2 LYS HA H . . . 1 1 2 2 LYS HG2 H . . . . . 3.07 1.8 3.99 . . . . . A . 5 LYS HA . . A . 5 LYS HG2 . . . 5 . HA . . . . . 5 . HG2 . . rr_1niz 1 34 1 OR . 1 1 2 2 LYS HG2 H . . . 1 1 2 2 LYS HB2 H . . . . . 3.07 1.8 3.99 . . . . . A . 5 LYS HG2 . . A . 5 LYS HB2 . . . 5 . HG2 . . . . . 5 . HB# . . rr_1niz 1 34 2 OR . 1 1 2 2 LYS HB3 H . . . 1 1 2 2 LYS HG2 H . . . . . 3.07 1.8 3.99 . . . . . A . 5 LYS HB3 . . A . 5 LYS HG2 . . . 5 . HB# . . . . . 5 . HG2 . . rr_1niz 1 35 1 OR . 1 1 2 2 LYS HE3 H . . . 1 1 2 2 LYS HG3 H . . . . . 3.54 1.8 4.60 . . . . . A . 5 LYS HE3 . . A . 5 LYS HG3 . . . 5 . HE# . . . . . 5 . HG# . . rr_1niz 1 35 2 OR . 1 1 2 2 LYS HE2 H . . . 1 1 2 2 LYS HG3 H . . . . . 3.54 1.8 4.60 . . . . . A . 5 LYS HE2 . . A . 5 LYS HG3 . . . 5 . HE# . . . . . 5 . HG# . . rr_1niz 1 35 3 OR . 1 1 2 2 LYS HG2 H . . . 1 1 2 2 LYS HE2 H . . . . . 3.54 1.8 4.60 . . . . . A . 5 LYS HG2 . . A . 5 LYS HE2 . . . 5 . HG# . . . . . 5 . HE# . . rr_1niz 1 35 4 OR . 1 1 2 2 LYS HE3 H . . . 1 1 2 2 LYS HG2 H . . . . . 3.54 1.8 4.60 . . . . . A . 5 LYS HE3 . . A . 5 LYS HG2 . . . 5 . HE# . . . . . 5 . HG# . . rr_1niz 1 36 1 . . 1 1 3 3 ARG HA H . . . 1 1 3 3 ARG HD3 H . . . . . 3.82 1.8 4.97 . . . . . A . 6 ARG HA . . A . 6 ARG HD3 . . . 6 . HA . . . . . 6 . HD1 . . rr_1niz 1 37 1 . . 1 1 3 3 ARG HA H . . . 1 1 3 3 ARG HD2 H . . . . . 3.82 1.8 4.97 . . . . . A . 6 ARG HA . . A . 6 ARG HD2 . . . 6 . HA . . . . . 6 . HD2 . . rr_1niz 1 38 1 . . 1 1 3 3 ARG HA H . . . 1 1 3 3 ARG HB3 H . . . . . 3.37 1.8 4.38 . . . . . A . 6 ARG HA . . A . 6 ARG HB3 . . . 6 . HA . . . . . 6 . HB1 . . rr_1niz 1 39 1 . . 1 1 3 3 ARG HB3 H . . . 1 1 3 3 ARG HB2 H . . . . . 2.93 1.8 3.81 . . . . . A . 6 ARG HB3 . . A . 6 ARG HB2 . . . 6 . HB1 . . . . . 6 . HB2 . . rr_1niz 1 40 1 . . 1 1 3 3 ARG HB3 H . . . 1 1 3 3 ARG HD3 H . . . . . 4.10 1.8 5.33 . . . . . A . 6 ARG HB3 . . A . 6 ARG HD3 . . . 6 . HB1 . . . . . 6 . HD1 . . rr_1niz 1 41 1 . . 1 1 3 3 ARG HB3 H . . . 1 1 3 3 ARG HD2 H . . . . . 4.10 1.8 5.33 . . . . . A . 6 ARG HB3 . . A . 6 ARG HD2 . . . 6 . HB1 . . . . . 6 . HD2 . . rr_1niz 1 42 1 OR . 1 1 3 3 ARG HG3 H . . . 1 1 3 3 ARG HB3 H . . . . . 3.29 1.8 4.28 . . . . . A . 6 ARG HG3 . . A . 6 ARG HB3 . . . 6 . HG# . . . . . 6 . HB1 . . rr_1niz 1 42 2 OR . 1 1 3 3 ARG HB3 H . . . 1 1 3 3 ARG HG2 H . . . . . 3.29 1.8 4.28 . . . . . A . 6 ARG HB3 . . A . 6 ARG HG2 . . . 6 . HB1 . . . . . 6 . HG# . . rr_1niz 1 43 1 . . 1 1 3 3 ARG HA H . . . 1 1 3 3 ARG HB2 H . . . . . 3.37 1.8 4.38 . . . . . A . 6 ARG HA . . A . 6 ARG HB2 . . . 6 . HA . . . . . 6 . HB2 . . rr_1niz 1 44 1 . . 1 1 3 3 ARG HB3 H . . . 1 1 3 3 ARG HB2 H . . . . . 2.93 1.8 3.81 . . . . . A . 6 ARG HB3 . . A . 6 ARG HB2 . . . 6 . HB1 . . . . . 6 . HB2 . . rr_1niz 1 45 1 . . 1 1 3 3 ARG HD3 H . . . 1 1 3 3 ARG HB2 H . . . . . 4.10 1.8 5.33 . . . . . A . 6 ARG HD3 . . A . 6 ARG HB2 . . . 6 . HD1 . . . . . 6 . HB2 . . rr_1niz 1 46 1 . . 1 1 3 3 ARG HB2 H . . . 1 1 3 3 ARG HD2 H . . . . . 4.10 1.8 5.33 . . . . . A . 6 ARG HB2 . . A . 6 ARG HD2 . . . 6 . HB2 . . . . . 6 . HD2 . . rr_1niz 1 47 1 OR . 1 1 3 3 ARG HG3 H . . . 1 1 3 3 ARG HB2 H . . . . . 3.29 1.8 4.28 . . . . . A . 6 ARG HG3 . . A . 6 ARG HB2 . . . 6 . HG# . . . . . 6 . HB2 . . rr_1niz 1 47 2 OR . 1 1 3 3 ARG HB2 H . . . 1 1 3 3 ARG HG2 H . . . . . 3.29 1.8 4.28 . . . . . A . 6 ARG HB2 . . A . 6 ARG HG2 . . . 6 . HB2 . . . . . 6 . HG# . . rr_1niz 1 48 1 . . 1 1 3 3 ARG HG3 H . . . 1 1 3 3 ARG HD3 H . . . . . 3.04 1.8 3.95 . . . . . A . 6 ARG HG3 . . A . 6 ARG HD3 . . . 6 . HG1 . . . . . 6 . HD1 . . rr_1niz 1 49 1 . . 1 1 3 3 ARG HD3 H . . . 1 1 3 3 ARG HG2 H . . . . . 3.04 1.8 3.95 . . . . . A . 6 ARG HD3 . . A . 6 ARG HG2 . . . 6 . HD1 . . . . . 6 . HG2 . . rr_1niz 1 50 1 . . 1 1 3 3 ARG HG3 H . . . 1 1 3 3 ARG HD2 H . . . . . 3.04 1.8 3.95 . . . . . A . 6 ARG HG3 . . A . 6 ARG HD2 . . . 6 . HG1 . . . . . 6 . HD2 . . rr_1niz 1 51 1 . . 1 1 3 3 ARG HD2 H . . . 1 1 3 3 ARG HG2 H . . . . . 3.04 1.8 3.95 . . . . . A . 6 ARG HD2 . . A . 6 ARG HG2 . . . 6 . HD2 . . . . . 6 . HG2 . . rr_1niz 1 52 1 . . 1 1 3 3 ARG HA H . . . 1 1 3 3 ARG HG3 H . . . . . 3.42 1.8 4.45 . . . . . A . 6 ARG HA . . A . 6 ARG HG3 . . . 6 . HA . . . . . 6 . HG1 . . rr_1niz 1 53 1 OR . 1 1 3 3 ARG HG3 H . . . 1 1 3 3 ARG HB3 H . . . . . 3.19 1.8 4.15 . . . . . A . 6 ARG HG3 . . A . 6 ARG HB3 . . . 6 . HG1 . . . . . 6 . HB# . . rr_1niz 1 53 2 OR . 1 1 3 3 ARG HG3 H . . . 1 1 3 3 ARG HB2 H . . . . . 3.19 1.8 4.15 . . . . . A . 6 ARG HG3 . . A . 6 ARG HB2 . . . 6 . HG1 . . . . . 6 . HB# . . rr_1niz 1 54 1 . . 1 1 3 3 ARG HG3 H . . . 1 1 3 3 ARG HG2 H . . . . . 2.68 1.8 3.49 . . . . . A . 6 ARG HG3 . . A . 6 ARG HG2 . . . 6 . HG1 . . . . . 6 . HG2 . . rr_1niz 1 55 1 . . 1 1 3 3 ARG HA H . . . 1 1 3 3 ARG HG2 H . . . . . 3.42 1.8 4.45 . . . . . A . 6 ARG HA . . A . 6 ARG HG2 . . . 6 . HA . . . . . 6 . HG2 . . rr_1niz 1 56 1 OR . 1 1 3 3 ARG HB2 H . . . 1 1 3 3 ARG HG2 H . . . . . 3.19 1.8 4.15 . . . . . A . 6 ARG HB2 . . A . 6 ARG HG2 . . . 6 . HB# . . . . . 6 . HG2 . . rr_1niz 1 56 2 OR . 1 1 3 3 ARG HB3 H . . . 1 1 3 3 ARG HG2 H . . . . . 3.19 1.8 4.15 . . . . . A . 6 ARG HB3 . . A . 6 ARG HG2 . . . 6 . HB# . . . . . 6 . HG2 . . rr_1niz 1 57 1 . . 1 1 4 4 ILE HA H . . . 1 1 13 13 TYR HA H . . . . . 4.16 1.8 5.41 . . . . . A . 7 ILE HA . . A . 16 TYR HA . . . 7 . HA . . . . . 16 . HA . . rr_1niz 1 58 1 . . 1 1 4 4 ILE MD H . . . 1 1 4 4 ILE HA H . . . . . 3.42 1.8 4.45 . . . . . A . 7 ILE MD . . A . 7 ILE HA . . . 7 . HD# . . . . . 7 . HA . . rr_1niz 1 59 1 . . 1 1 4 4 ILE HA H . . . 1 1 4 4 ILE MG H . . . . . 3.23 1.8 4.20 . . . . . A . 7 ILE HA . . A . 7 ILE MG . . . 7 . HA . . . . . 7 . HG2# . . rr_1niz 1 60 1 . . 1 1 4 4 ILE HA H . . . 1 1 6 6 ILE MD H . . . . . 4.59 1.8 5.97 . . . . . A . 7 ILE HA . . A . 9 ILE MD . . . 7 . HA . . . . . 9 . HD# . . rr_1niz 1 61 1 . . 1 1 15 15 THR MG H . . . 1 1 4 4 ILE HA H . . . . . 4.11 1.8 5.34 . . . . . A . 18 THR MG . . A . 7 ILE HA . . . 18 . HG2# . . . . . 7 . HA . . rr_1niz 1 62 1 . . 1 1 13 13 TYR QE H . . . 1 1 4 4 ILE HA H . . . . . 4.43 1.8 5.76 . . . . . A . 16 TYR QE . . A . 7 ILE HA . . . 16 . HE# . . . . . 7 . HA . . rr_1niz 1 63 1 OR . 1 1 4 4 ILE HB H . . . 1 1 13 13 TYR HB2 H . . . . . 4.27 1.8 5.55 . . . . . A . 7 ILE HB . . A . 16 TYR HB2 . . . 7 . HB . . . . . 16 . HB# . . rr_1niz 1 63 2 OR . 1 1 4 4 ILE HB H . . . 1 1 13 13 TYR HB3 H . . . . . 4.27 1.8 5.55 . . . . . A . 7 ILE HB . . A . 16 TYR HB3 . . . 7 . HB . . . . . 16 . HB# . . rr_1niz 1 64 1 . . 1 1 4 4 ILE HA H . . . 1 1 4 4 ILE HB H . . . . . 3.40 1.8 4.42 . . . . . A . 7 ILE HA . . A . 7 ILE HB . . . 7 . HA . . . . . 7 . HB . . rr_1niz 1 65 1 . . 1 1 4 4 ILE MD H . . . 1 1 4 4 ILE HB H . . . . . 3.71 1.8 4.82 . . . . . A . 7 ILE MD . . A . 7 ILE HB . . . 7 . HD# . . . . . 7 . HB . . rr_1niz 1 66 1 . . 1 1 4 4 ILE HB H . . . 1 1 4 4 ILE HG13 H . . . . . 3.28 1.8 4.26 . . . . . A . 7 ILE HB . . A . 7 ILE HG13 . . . 7 . HB . . . . . 7 . HG11 . . rr_1niz 1 67 1 . . 1 1 4 4 ILE HG12 H . . . 1 1 4 4 ILE HB H . . . . . 3.28 1.8 4.26 . . . . . A . 7 ILE HG12 . . A . 7 ILE HB . . . 7 . HG12 . . . . . 7 . HB . . rr_1niz 1 68 1 . . 1 1 13 13 TYR QE H . . . 1 1 4 4 ILE HB H . . . . . 4.10 1.8 5.33 . . . . . A . 16 TYR QE . . A . 7 ILE HB . . . 16 . HE# . . . . . 7 . HB . . rr_1niz 1 69 1 . . 1 1 6 6 ILE MD H . . . 1 1 4 4 ILE HB H . . . . . 4.52 1.8 5.88 . . . . . A . 9 ILE MD . . A . 7 ILE HB . . . 9 . HD# . . . . . 7 . HB . . rr_1niz 1 70 1 . . 1 1 4 4 ILE MD H . . . 1 1 13 13 TYR QE H . . . . . 3.65 1.8 4.74 . . . . . A . 7 ILE MD . . A . 16 TYR QE . . . 7 . HD# . . . . . 16 . HE# . . rr_1niz 1 71 1 . . 1 1 4 4 ILE MD H . . . 1 1 13 13 TYR QD H . . . . . 4.06 1.8 5.28 . . . . . A . 7 ILE MD . . A . 16 TYR QD . . . 7 . HD# . . . . . 16 . HD# . . rr_1niz 1 72 1 . . 1 1 4 4 ILE MD H . . . 1 1 13 13 TYR HA H . . . . . 4.57 1.8 5.94 . . . . . A . 7 ILE MD . . A . 16 TYR HA . . . 7 . HD# . . . . . 16 . HA . . rr_1niz 1 73 1 . . 1 1 4 4 ILE MD H . . . 1 1 15 15 THR MG H . . . . . 4.05 1.8 5.27 . . . . . A . 7 ILE MD . . A . 18 THR MG . . . 7 . HD# . . . . . 18 . HG2# . . rr_1niz 1 74 1 . . 1 1 13 13 TYR QE H . . . 1 1 4 4 ILE HG13 H . . . . . 4.19 1.8 5.45 . . . . . A . 16 TYR QE . . A . 7 ILE HG13 . . . 16 . HE# . . . . . 7 . HG11 . . rr_1niz 1 75 1 OR . 1 1 13 13 TYR HB3 H . . . 1 1 4 4 ILE HG13 H . . . . . 4.07 1.8 5.29 . . . . . A . 16 TYR HB3 . . A . 7 ILE HG13 . . . 16 . HB# . . . . . 7 . HG11 . . rr_1niz 1 75 2 OR . 1 1 4 4 ILE HG13 H . . . 1 1 13 13 TYR HB2 H . . . . . 4.07 1.8 5.29 . . . . . A . 7 ILE HG13 . . A . 16 TYR HB2 . . . 7 . HG11 . . . . . 16 . HB# . . rr_1niz 1 76 1 . . 1 1 4 4 ILE HA H . . . 1 1 4 4 ILE HG13 H . . . . . 3.27 1.8 4.25 . . . . . A . 7 ILE HA . . A . 7 ILE HG13 . . . 7 . HA . . . . . 7 . HG11 . . rr_1niz 1 77 1 . . 1 1 4 4 ILE MD H . . . 1 1 4 4 ILE HG13 H . . . . . 3.27 1.8 4.25 . . . . . A . 7 ILE MD . . A . 7 ILE HG13 . . . 7 . HD# . . . . . 7 . HG11 . . rr_1niz 1 78 1 . . 1 1 4 4 ILE HG12 H . . . 1 1 4 4 ILE HG13 H . . . . . 2.37 1.8 3.08 . . . . . A . 7 ILE HG12 . . A . 7 ILE HG13 . . . 7 . HG12 . . . . . 7 . HG11 . . rr_1niz 1 79 1 OR . 1 1 4 4 ILE HG12 H . . . 1 1 4 4 ILE MG H . . . . . 2.96 1.8 3.85 . . . . . A . 7 ILE HG12 . . A . 7 ILE MG . . . 7 . HG1# . . . . . 7 . HG2# . . rr_1niz 1 79 2 OR . 1 1 4 4 ILE MG H . . . 1 1 4 4 ILE HG13 H . . . . . 2.96 1.8 3.85 . . . . . A . 7 ILE MG . . A . 7 ILE HG13 . . . 7 . HG2# . . . . . 7 . HG1# . . rr_1niz 1 80 1 OR . 1 1 4 4 ILE HG12 H . . . 1 1 13 13 TYR QD H . . . . . 4.25 1.8 5.53 . . . . . A . 7 ILE HG12 . . A . 16 TYR QD . . . 7 . HG1# . . . . . 16 . HD# . . rr_1niz 1 80 2 OR . 1 1 13 13 TYR QD H . . . 1 1 4 4 ILE HG13 H . . . . . 4.25 1.8 5.53 . . . . . A . 16 TYR QD . . A . 7 ILE HG13 . . . 16 . HD# . . . . . 7 . HG1# . . rr_1niz 1 81 1 . . 1 1 13 13 TYR QE H . . . 1 1 4 4 ILE HG12 H . . . . . 4.19 1.8 5.45 . . . . . A . 16 TYR QE . . A . 7 ILE HG12 . . . 16 . HE# . . . . . 7 . HG12 . . rr_1niz 1 82 1 OR . 1 1 4 4 ILE HG12 H . . . 1 1 13 13 TYR HB3 H . . . . . 4.07 1.8 5.29 . . . . . A . 7 ILE HG12 . . A . 16 TYR HB3 . . . 7 . HG12 . . . . . 16 . HB# . . rr_1niz 1 82 2 OR . 1 1 4 4 ILE HG12 H . . . 1 1 13 13 TYR HB2 H . . . . . 4.07 1.8 5.29 . . . . . A . 7 ILE HG12 . . A . 16 TYR HB2 . . . 7 . HG12 . . . . . 16 . HB# . . rr_1niz 1 83 1 . . 1 1 4 4 ILE HG12 H . . . 1 1 4 4 ILE HA H . . . . . 3.27 1.8 4.25 . . . . . A . 7 ILE HG12 . . A . 7 ILE HA . . . 7 . HG12 . . . . . 7 . HA . . rr_1niz 1 84 1 . . 1 1 4 4 ILE MD H . . . 1 1 4 4 ILE HG12 H . . . . . 3.27 1.8 4.25 . . . . . A . 7 ILE MD . . A . 7 ILE HG12 . . . 7 . HD# . . . . . 7 . HG12 . . rr_1niz 1 85 1 . . 1 1 4 4 ILE HG12 H . . . 1 1 4 4 ILE HG13 H . . . . . 2.37 1.8 3.08 . . . . . A . 7 ILE HG12 . . A . 7 ILE HG13 . . . 7 . HG12 . . . . . 7 . HG11 . . rr_1niz 1 86 1 . . 1 1 4 4 ILE HB H . . . 1 1 4 4 ILE MG H . . . . . 3.10 1.8 4.03 . . . . . A . 7 ILE HB . . A . 7 ILE MG . . . 7 . HB . . . . . 7 . HG2# . . rr_1niz 1 87 1 . . 1 1 4 4 ILE MD H . . . 1 1 4 4 ILE MG H . . . . . 3.51 1.8 4.56 . . . . . A . 7 ILE MD . . A . 7 ILE MG . . . 7 . HD# . . . . . 7 . HG2# . . rr_1niz 1 88 1 OR . 1 1 4 4 ILE MG H . . . 1 1 4 4 ILE HG13 H . . . . . 3.06 1.8 3.98 . . . . . A . 7 ILE MG . . A . 7 ILE HG13 . . . 7 . HG2# . . . . . 7 . HG1# . . rr_1niz 1 88 2 OR . 1 1 4 4 ILE HG12 H . . . 1 1 4 4 ILE MG H . . . . . 3.06 1.8 3.98 . . . . . A . 7 ILE HG12 . . A . 7 ILE MG . . . 7 . HG1# . . . . . 7 . HG2# . . rr_1niz 1 89 1 . . 1 1 13 13 TYR HA H . . . 1 1 4 4 ILE MG H . . . . . 4.32 1.8 5.62 . . . . . A . 16 TYR HA . . A . 7 ILE MG . . . 16 . HA . . . . . 7 . HG2# . . rr_1niz 1 90 1 . . 1 1 13 13 TYR QE H . . . 1 1 4 4 ILE MG H . . . . . 3.86 1.8 5.02 . . . . . A . 16 TYR QE . . A . 7 ILE MG . . . 16 . HE# . . . . . 7 . HG2# . . rr_1niz 1 91 1 . . 1 1 5 5 HIS HB3 H . . . 1 1 5 5 HIS HD2 H . . . . . 4.11 1.8 5.34 . . . . . A . 8 HIS HB3 . . A . 8 HIS HD2 . . . 8 . HB1 . . . . . 8 . HD2 . . rr_1niz 1 92 1 . . 1 1 5 5 HIS HB3 H . . . 1 1 5 5 HIS HA H . . . . . 3.99 1.8 5.19 . . . . . A . 8 HIS HB3 . . A . 8 HIS HA . . . 8 . HB1 . . . . . 8 . HA . . rr_1niz 1 93 1 . . 1 1 5 5 HIS HB3 H . . . 1 1 5 5 HIS HB2 H . . . . . 3.36 1.8 4.37 . . . . . A . 8 HIS HB3 . . A . 8 HIS HB2 . . . 8 . HB1 . . . . . 8 . HB2 . . rr_1niz 1 94 1 . . 1 1 5 5 HIS HD2 H . . . 1 1 5 5 HIS HB2 H . . . . . 4.11 1.8 5.34 . . . . . A . 8 HIS HD2 . . A . 8 HIS HB2 . . . 8 . HD2 . . . . . 8 . HB2 . . rr_1niz 1 95 1 . . 1 1 5 5 HIS HA H . . . 1 1 5 5 HIS HB2 H . . . . . 3.99 1.8 5.19 . . . . . A . 8 HIS HA . . A . 8 HIS HB2 . . . 8 . HA . . . . . 8 . HB2 . . rr_1niz 1 96 1 . . 1 1 5 5 HIS HB3 H . . . 1 1 5 5 HIS HB2 H . . . . . 3.36 1.8 4.37 . . . . . A . 8 HIS HB3 . . A . 8 HIS HB2 . . . 8 . HB1 . . . . . 8 . HB2 . . rr_1niz 1 97 1 OR . 1 1 6 6 ILE HA H . . . 1 1 7 7 GLY HA3 H . . . . . 4.42 1.8 5.75 . . . . . A . 9 ILE HA . . A . 10 GLY HA3 . . . 9 . HA . . . . . 10 . HA# . . rr_1niz 1 97 2 OR . 1 1 6 6 ILE HA H . . . 1 1 7 7 GLY HA2 H . . . . . 4.42 1.8 5.75 . . . . . A . 9 ILE HA . . A . 10 GLY HA2 . . . 9 . HA . . . . . 10 . HA# . . rr_1niz 1 98 1 . . 1 1 6 6 ILE HA H . . . 1 1 6 6 ILE HB H . . . . . 3.44 1.8 4.47 . . . . . A . 9 ILE HA . . A . 9 ILE HB . . . 9 . HA . . . . . 9 . HB . . rr_1niz 1 99 1 OR . 1 1 6 6 ILE HA H . . . 1 1 6 6 ILE HG12 H . . . . . 3.12 1.8 4.06 . . . . . A . 9 ILE HA . . A . 9 ILE HG12 . . . 9 . HA . . . . . 9 . HG1# . . rr_1niz 1 99 2 OR . 1 1 6 6 ILE HA H . . . 1 1 6 6 ILE HG13 H . . . . . 3.12 1.8 4.06 . . . . . A . 9 ILE HA . . A . 9 ILE HG13 . . . 9 . HA . . . . . 9 . HG1# . . rr_1niz 1 100 1 . . 1 1 6 6 ILE MD H . . . 1 1 6 6 ILE HB H . . . . . 3.97 1.8 5.16 . . . . . A . 9 ILE MD . . A . 9 ILE HB . . . 9 . HD# . . . . . 9 . HB . . rr_1niz 1 101 1 . . 1 1 6 6 ILE HB H . . . 1 1 6 6 ILE MG H . . . . . 3.48 1.8 4.52 . . . . . A . 9 ILE HB . . A . 9 ILE MG . . . 9 . HB . . . . . 9 . HG2# . . rr_1niz 1 102 1 . . 1 1 6 6 ILE MD H . . . 1 1 5 5 HIS HA H . . . . . 3.78 1.8 4.91 . . . . . A . 9 ILE MD . . A . 8 HIS HA . . . 9 . HD# . . . . . 8 . HA . . rr_1niz 1 103 1 . . 1 1 6 6 ILE MD H . . . 1 1 6 6 ILE HA H . . . . . 3.50 1.8 4.55 . . . . . A . 9 ILE MD . . A . 9 ILE HA . . . 9 . HD# . . . . . 9 . HA . . rr_1niz 1 104 1 OR . 1 1 6 6 ILE MD H . . . 1 1 13 13 TYR HB2 H . . . . . 3.91 1.8 5.08 . . . . . A . 9 ILE MD . . A . 16 TYR HB2 . . . 9 . HD# . . . . . 16 . HB# . . rr_1niz 1 104 2 OR . 1 1 6 6 ILE MD H . . . 1 1 13 13 TYR HB3 H . . . . . 3.91 1.8 5.08 . . . . . A . 9 ILE MD . . A . 16 TYR HB3 . . . 9 . HD# . . . . . 16 . HB# . . rr_1niz 1 105 1 OR . 1 1 6 6 ILE MD H . . . 1 1 12 12 PHE HB2 H . . . . . 3.93 1.8 5.11 . . . . . A . 9 ILE MD . . A . 15 PHE HB2 . . . 9 . HD# . . . . . 15 . HB# . . rr_1niz 1 105 2 OR . 1 1 6 6 ILE MD H . . . 1 1 12 12 PHE HB3 H . . . . . 3.93 1.8 5.11 . . . . . A . 9 ILE MD . . A . 15 PHE HB3 . . . 9 . HD# . . . . . 15 . HB# . . rr_1niz 1 106 1 . . 1 1 13 13 TYR HA H . . . 1 1 6 6 ILE MD H . . . . . 4.51 1.8 5.86 . . . . . A . 16 TYR HA . . A . 9 ILE MD . . . 16 . HA . . . . . 9 . HD# . . rr_1niz 1 107 1 . . 1 1 6 6 ILE MD H . . . 1 1 6 6 ILE HB H . . . . . 3.31 1.8 4.30 . . . . . A . 9 ILE MD . . A . 9 ILE HB . . . 9 . HD# . . . . . 9 . HB . . rr_1niz 1 108 1 . . 1 1 6 6 ILE HB H . . . 1 1 6 6 ILE HG13 H . . . . . 3.61 1.8 4.69 . . . . . A . 9 ILE HB . . A . 9 ILE HG13 . . . 9 . HB . . . . . 9 . HG11 . . rr_1niz 1 109 1 . . 1 1 6 6 ILE MD H . . . 1 1 6 6 ILE HG13 H . . . . . 3.46 1.8 4.50 . . . . . A . 9 ILE MD . . A . 9 ILE HG13 . . . 9 . HD# . . . . . 9 . HG11 . . rr_1niz 1 110 1 . . 1 1 6 6 ILE MD H . . . 1 1 6 6 ILE HG12 H . . . . . 3.47 1.8 4.51 . . . . . A . 9 ILE MD . . A . 9 ILE HG12 . . . 9 . HD# . . . . . 9 . HG12 . . rr_1niz 1 111 1 . . 1 1 6 6 ILE HA H . . . 1 1 6 6 ILE HG12 H . . . . . 3.24 1.8 4.21 . . . . . A . 9 ILE HA . . A . 9 ILE HG12 . . . 9 . HA . . . . . 9 . HG12 . . rr_1niz 1 112 1 . . 1 1 6 6 ILE HB H . . . 1 1 6 6 ILE HG12 H . . . . . 3.61 1.8 4.69 . . . . . A . 9 ILE HB . . A . 9 ILE HG12 . . . 9 . HB . . . . . 9 . HG12 . . rr_1niz 1 113 1 . . 1 1 6 6 ILE HG12 H . . . 1 1 6 6 ILE HG13 H . . . . . 2.60 1.8 3.38 . . . . . A . 9 ILE HG12 . . A . 9 ILE HG13 . . . 9 . HG12 . . . . . 9 . HG11 . . rr_1niz 1 114 1 OR . 1 1 6 6 ILE MG H . . . 1 1 6 6 ILE HG13 H . . . . . 3.37 1.8 4.38 . . . . . A . 9 ILE MG . . A . 9 ILE HG13 . . . 9 . HG2# . . . . . 9 . HG1# . . rr_1niz 1 114 2 OR . 1 1 6 6 ILE HG12 H . . . 1 1 6 6 ILE MG H . . . . . 3.37 1.8 4.38 . . . . . A . 9 ILE HG12 . . A . 9 ILE MG . . . 9 . HG1# . . . . . 9 . HG2# . . rr_1niz 1 115 1 . . 1 1 6 6 ILE MG H . . . 1 1 7 7 GLY HA3 H . . . . . 4.34 1.8 5.64 . . . . . A . 9 ILE MG . . A . 10 GLY HA3 . . . 9 . HG2# . . . . . 10 . HA1 . . rr_1niz 1 116 1 . . 1 1 7 7 GLY HA2 H . . . 1 1 6 6 ILE MG H . . . . . 4.34 1.8 5.64 . . . . . A . 10 GLY HA2 . . A . 9 ILE MG . . . 10 . HA2 . . . . . 9 . HG2# . . rr_1niz 1 117 1 . . 1 1 6 6 ILE HA H . . . 1 1 6 6 ILE MG H . . . . . 3.18 1.8 4.13 . . . . . A . 9 ILE HA . . A . 9 ILE MG . . . 9 . HA . . . . . 9 . HG2# . . rr_1niz 1 118 1 . . 1 1 6 6 ILE MD H . . . 1 1 6 6 ILE MG H . . . . . 3.53 1.8 4.59 . . . . . A . 9 ILE MD . . A . 9 ILE MG . . . 9 . HD# . . . . . 9 . HG2# . . rr_1niz 1 119 1 OR . 1 1 12 12 PHE QE H . . . 1 1 7 7 GLY HA3 H . . . . . 4.60 1.8 5.98 . . . . . A . 15 PHE QE . . A . 10 GLY HA3 . . . 15 . HE# . . . . . 10 . HA# . . rr_1niz 1 119 2 OR . 1 1 7 7 GLY HA2 H . . . 1 1 12 12 PHE QE H . . . . . 4.60 1.8 5.98 . . . . . A . 10 GLY HA2 . . A . 15 PHE QE . . . 10 . HA# . . . . . 15 . HE# . . rr_1niz 1 120 1 . . 1 1 7 7 GLY HA2 H . . . 1 1 7 7 GLY HA3 H . . . . . 3.21 1.8 4.17 . . . . . A . 10 GLY HA2 . . A . 10 GLY HA3 . . . 10 . HA2 . . . . . 10 . HA1 . . rr_1niz 1 121 1 OR . 1 1 8 8 PRO HD3 H . . . 1 1 7 7 GLY HA3 H . . . . . 4.15 1.8 5.40 . . . . . A . 11 PRO HD3 . . A . 10 GLY HA3 . . . 11 . HD# . . . . . 10 . HA1 . . rr_1niz 1 121 2 OR . 1 1 7 7 GLY HA3 H . . . 1 1 8 8 PRO HD2 H . . . . . 4.15 1.8 5.40 . . . . . A . 10 GLY HA3 . . A . 11 PRO HD2 . . . 10 . HA1 . . . . . 11 . HD# . . rr_1niz 1 122 1 OR . 1 1 7 7 GLY HA2 H . . . 1 1 10 10 ARG HD3 H . . . . . 3.79 1.8 4.93 . . . . . A . 10 GLY HA2 . . A . 13 ARG HD3 . . . 10 . HA2 . . . . . 13 . HD# . . rr_1niz 1 122 2 OR . 1 1 7 7 GLY HA2 H . . . 1 1 10 10 ARG HD2 H . . . . . 3.79 1.8 4.93 . . . . . A . 10 GLY HA2 . . A . 13 ARG HD2 . . . 10 . HA2 . . . . . 13 . HD# . . rr_1niz 1 123 1 . . 1 1 7 7 GLY HA2 H . . . 1 1 8 8 PRO HA H . . . . . 4.27 1.8 5.55 . . . . . A . 10 GLY HA2 . . A . 11 PRO HA . . . 10 . HA2 . . . . . 11 . HA . . rr_1niz 1 124 1 OR . 1 1 7 7 GLY HA2 H . . . 1 1 8 8 PRO HD3 H . . . . . 4.15 1.8 5.40 . . . . . A . 10 GLY HA2 . . A . 11 PRO HD3 . . . 10 . HA2 . . . . . 11 . HD# . . rr_1niz 1 124 2 OR . 1 1 7 7 GLY HA2 H . . . 1 1 8 8 PRO HD2 H . . . . . 4.15 1.8 5.40 . . . . . A . 10 GLY HA2 . . A . 11 PRO HD2 . . . 10 . HA2 . . . . . 11 . HD# . . rr_1niz 1 125 1 OR . 1 1 10 10 ARG HD3 H . . . 1 1 7 7 GLY HA3 H . . . . . 3.79 1.8 4.93 . . . . . A . 13 ARG HD3 . . A . 10 GLY HA3 . . . 13 . HD# . . . . . 10 . HA1 . . rr_1niz 1 125 2 OR . 1 1 7 7 GLY HA3 H . . . 1 1 10 10 ARG HD2 H . . . . . 3.79 1.8 4.93 . . . . . A . 10 GLY HA3 . . A . 13 ARG HD2 . . . 10 . HA1 . . . . . 13 . HD# . . rr_1niz 1 126 1 . . 1 1 8 8 PRO HA H . . . 1 1 7 7 GLY HA3 H . . . . . 4.27 1.8 5.55 . . . . . A . 11 PRO HA . . A . 10 GLY HA3 . . . 11 . HA . . . . . 10 . HA1 . . rr_1niz 1 127 1 OR . 1 1 8 8 PRO HA H . . . 1 1 10 10 ARG HD2 H . . . . . 2.91 1.8 3.78 . . . . . A . 11 PRO HA . . A . 13 ARG HD2 . . . 11 . HA . . . . . 13 . HD# . . rr_1niz 1 127 2 OR . 1 1 10 10 ARG HD3 H . . . 1 1 8 8 PRO HA H . . . . . 2.91 1.8 3.78 . . . . . A . 13 ARG HD3 . . A . 11 PRO HA . . . 13 . HD# . . . . . 11 . HA . . rr_1niz 1 128 1 OR . 1 1 8 8 PRO HA H . . . 1 1 10 10 ARG HG2 H . . . . . 3.99 1.8 5.19 . . . . . A . 11 PRO HA . . A . 13 ARG HG2 . . . 11 . HA . . . . . 13 . HG# . . rr_1niz 1 128 2 OR . 1 1 8 8 PRO HA H . . . 1 1 10 10 ARG HG3 H . . . . . 3.99 1.8 5.19 . . . . . A . 11 PRO HA . . A . 13 ARG HG3 . . . 11 . HA . . . . . 13 . HG# . . rr_1niz 1 129 1 OR . 1 1 8 8 PRO HD3 H . . . 1 1 8 8 PRO HB3 H . . . . . 3.81 1.8 4.95 . . . . . A . 11 PRO HD3 . . A . 11 PRO HB3 . . . 11 . HD# . . . . . 11 . HB1 . . rr_1niz 1 129 2 OR . 1 1 8 8 PRO HB3 H . . . 1 1 8 8 PRO HD2 H . . . . . 3.81 1.8 4.95 . . . . . A . 11 PRO HB3 . . A . 11 PRO HD2 . . . 11 . HB1 . . . . . 11 . HD# . . rr_1niz 1 130 1 . . 1 1 8 8 PRO HA H . . . 1 1 8 8 PRO HB3 H . . . . . 3.44 1.8 4.47 . . . . . A . 11 PRO HA . . A . 11 PRO HB3 . . . 11 . HA . . . . . 11 . HB1 . . rr_1niz 1 131 1 . . 1 1 8 8 PRO HB2 H . . . 1 1 8 8 PRO HB3 H . . . . . 3.37 1.8 4.38 . . . . . A . 11 PRO HB2 . . A . 11 PRO HB3 . . . 11 . HB2 . . . . . 11 . HB1 . . rr_1niz 1 132 1 OR . 1 1 10 10 ARG HG3 H . . . 1 1 8 8 PRO HB3 H . . . . . 3.69 1.8 4.80 . . . . . A . 13 ARG HG3 . . A . 11 PRO HB3 . . . 13 . HG# . . . . . 11 . HB1 . . rr_1niz 1 132 2 OR . 1 1 8 8 PRO HB3 H . . . 1 1 10 10 ARG HG2 H . . . . . 3.69 1.8 4.80 . . . . . A . 11 PRO HB3 . . A . 13 ARG HG2 . . . 11 . HB1 . . . . . 13 . HG# . . rr_1niz 1 133 1 OR . 1 1 8 8 PRO HD3 H . . . 1 1 8 8 PRO HB2 H . . . . . 3.81 1.8 4.95 . . . . . A . 11 PRO HD3 . . A . 11 PRO HB2 . . . 11 . HD# . . . . . 11 . HB2 . . rr_1niz 1 133 2 OR . 1 1 8 8 PRO HB2 H . . . 1 1 8 8 PRO HD2 H . . . . . 3.81 1.8 4.95 . . . . . A . 11 PRO HB2 . . A . 11 PRO HD2 . . . 11 . HB2 . . . . . 11 . HD# . . rr_1niz 1 134 1 OR . 1 1 8 8 PRO HB2 H . . . 1 1 10 10 ARG HD2 H . . . . . 3.67 1.8 4.77 . . . . . A . 11 PRO HB2 . . A . 13 ARG HD2 . . . 11 . HB# . . . . . 13 . HD# . . rr_1niz 1 134 2 OR . 1 1 10 10 ARG HD3 H . . . 1 1 8 8 PRO HB3 H . . . . . 3.67 1.8 4.77 . . . . . A . 13 ARG HD3 . . A . 11 PRO HB3 . . . 13 . HD# . . . . . 11 . HB# . . rr_1niz 1 134 3 OR . 1 1 10 10 ARG HD3 H . . . 1 1 8 8 PRO HB2 H . . . . . 3.67 1.8 4.77 . . . . . A . 13 ARG HD3 . . A . 11 PRO HB2 . . . 13 . HD# . . . . . 11 . HB# . . rr_1niz 1 134 4 OR . 1 1 8 8 PRO HB3 H . . . 1 1 10 10 ARG HD2 H . . . . . 3.67 1.8 4.77 . . . . . A . 11 PRO HB3 . . A . 13 ARG HD2 . . . 11 . HB# . . . . . 13 . HD# . . rr_1niz 1 135 1 . . 1 1 8 8 PRO HA H . . . 1 1 8 8 PRO HB2 H . . . . . 3.44 1.8 4.47 . . . . . A . 11 PRO HA . . A . 11 PRO HB2 . . . 11 . HA . . . . . 11 . HB2 . . rr_1niz 1 136 1 OR . 1 1 10 10 ARG HG3 H . . . 1 1 8 8 PRO HB2 H . . . . . 3.69 1.8 4.80 . . . . . A . 13 ARG HG3 . . A . 11 PRO HB2 . . . 13 . HG# . . . . . 11 . HB2 . . rr_1niz 1 136 2 OR . 1 1 8 8 PRO HB2 H . . . 1 1 10 10 ARG HG2 H . . . . . 3.69 1.8 4.80 . . . . . A . 11 PRO HB2 . . A . 13 ARG HG2 . . . 11 . HB2 . . . . . 13 . HG# . . rr_1niz 1 137 1 . . 1 1 10 10 ARG HG3 H . . . 1 1 10 10 ARG HA H . . . . . 3.76 1.8 4.89 . . . . . A . 13 ARG HG3 . . A . 13 ARG HA . . . 13 . HG1 . . . . . 13 . HA . . rr_1niz 1 138 1 OR . 1 1 10 10 ARG HA H . . . 1 1 8 8 PRO HD2 H . . . . . 4.17 1.8 5.42 . . . . . A . 13 ARG HA . . A . 11 PRO HD2 . . . 13 . HA . . . . . 11 . HD# . . rr_1niz 1 138 2 OR . 1 1 8 8 PRO HD3 H . . . 1 1 10 10 ARG HA H . . . . . 4.17 1.8 5.42 . . . . . A . 11 PRO HD3 . . A . 13 ARG HA . . . 11 . HD# . . . . . 13 . HA . . rr_1niz 1 139 1 . . 1 1 10 10 ARG HA H . . . 1 1 11 11 ALA HA H . . . . . 4.04 1.8 5.25 . . . . . A . 13 ARG HA . . A . 14 ALA HA . . . 13 . HA . . . . . 14 . HA . . rr_1niz 1 140 1 . . 1 1 10 10 ARG HA H . . . 1 1 11 11 ALA MB H . . . . . 3.85 1.8 5.01 . . . . . A . 13 ARG HA . . A . 14 ALA MB . . . 13 . HA . . . . . 14 . HB# . . rr_1niz 1 141 1 OR . 1 1 10 10 ARG HA H . . . 1 1 10 10 ARG HD2 H . . . . . 4.19 1.8 5.45 . . . . . A . 13 ARG HA . . A . 13 ARG HD2 . . . 13 . HA . . . . . 13 . HD# . . rr_1niz 1 141 2 OR . 1 1 10 10 ARG HD3 H . . . 1 1 10 10 ARG HA H . . . . . 4.19 1.8 5.45 . . . . . A . 13 ARG HD3 . . A . 13 ARG HA . . . 13 . HD# . . . . . 13 . HA . . rr_1niz 1 142 1 . . 1 1 10 10 ARG HA H . . . 1 1 10 10 ARG HG2 H . . . . . 3.76 1.8 4.89 . . . . . A . 13 ARG HA . . A . 13 ARG HG2 . . . 13 . HA . . . . . 13 . HG2 . . rr_1niz 1 143 1 OR . 1 1 8 8 PRO HD3 H . . . 1 1 10 10 ARG HB3 H . . . . . 3.90 1.8 5.07 . . . . . A . 11 PRO HD3 . . A . 13 ARG HB3 . . . 11 . HD# . . . . . 13 . HB1 . . rr_1niz 1 143 2 OR . 1 1 10 10 ARG HB3 H . . . 1 1 8 8 PRO HD2 H . . . . . 3.90 1.8 5.07 . . . . . A . 13 ARG HB3 . . A . 11 PRO HD2 . . . 13 . HB1 . . . . . 11 . HD# . . rr_1niz 1 144 1 . . 1 1 10 10 ARG HA H . . . 1 1 10 10 ARG HB3 H . . . . . 4.01 1.8 5.21 . . . . . A . 13 ARG HA . . A . 13 ARG HB3 . . . 13 . HA . . . . . 13 . HB1 . . rr_1niz 1 145 1 . . 1 1 10 10 ARG HB3 H . . . 1 1 10 10 ARG HB2 H . . . . . 3.51 1.8 4.56 . . . . . A . 13 ARG HB3 . . A . 13 ARG HB2 . . . 13 . HB1 . . . . . 13 . HB2 . . rr_1niz 1 146 1 OR . 1 1 10 10 ARG HG3 H . . . 1 1 10 10 ARG HB3 H . . . . . 3.98 1.8 5.17 . . . . . A . 13 ARG HG3 . . A . 13 ARG HB3 . . . 13 . HG# . . . . . 13 . HB1 . . rr_1niz 1 146 2 OR . 1 1 10 10 ARG HB3 H . . . 1 1 10 10 ARG HG2 H . . . . . 3.98 1.8 5.17 . . . . . A . 13 ARG HB3 . . A . 13 ARG HG2 . . . 13 . HB1 . . . . . 13 . HG# . . rr_1niz 1 147 1 OR . 1 1 8 8 PRO HD3 H . . . 1 1 10 10 ARG HB2 H . . . . . 3.90 1.8 5.07 . . . . . A . 11 PRO HD3 . . A . 13 ARG HB2 . . . 11 . HD# . . . . . 13 . HB2 . . rr_1niz 1 147 2 OR . 1 1 8 8 PRO HD2 H . . . 1 1 10 10 ARG HB2 H . . . . . 3.90 1.8 5.07 . . . . . A . 11 PRO HD2 . . A . 13 ARG HB2 . . . 11 . HD# . . . . . 13 . HB2 . . rr_1niz 1 148 1 OR . 1 1 10 10 ARG HG3 H . . . 1 1 10 10 ARG HB2 H . . . . . 3.98 1.8 5.17 . . . . . A . 13 ARG HG3 . . A . 13 ARG HB2 . . . 13 . HG# . . . . . 13 . HB2 . . rr_1niz 1 148 2 OR . 1 1 10 10 ARG HB2 H . . . 1 1 10 10 ARG HG2 H . . . . . 3.98 1.8 5.17 . . . . . A . 13 ARG HB2 . . A . 13 ARG HG2 . . . 13 . HB2 . . . . . 13 . HG# . . rr_1niz 1 149 1 . . 1 1 10 10 ARG HA H . . . 1 1 10 10 ARG HB2 H . . . . . 4.01 1.8 5.21 . . . . . A . 13 ARG HA . . A . 13 ARG HB2 . . . 13 . HA . . . . . 13 . HB2 . . rr_1niz 1 150 1 OR . 1 1 10 10 ARG HD3 H . . . 1 1 7 7 GLY HA3 H . . . . . 3.81 1.8 4.95 . . . . . A . 13 ARG HD3 . . A . 10 GLY HA3 . . . 13 . HD1 . . . . . 10 . HA# . . rr_1niz 1 150 2 OR . 1 1 7 7 GLY HA2 H . . . 1 1 10 10 ARG HD3 H . . . . . 3.81 1.8 4.95 . . . . . A . 10 GLY HA2 . . A . 13 ARG HD3 . . . 10 . HA# . . . . . 13 . HD1 . . rr_1niz 1 151 1 . . 1 1 10 10 ARG HD3 H . . . 1 1 10 10 ARG HD2 H . . . . . 3.29 1.8 4.28 . . . . . A . 13 ARG HD3 . . A . 13 ARG HD2 . . . 13 . HD1 . . . . . 13 . HD2 . . rr_1niz 1 152 1 OR . 1 1 10 10 ARG HD3 H . . . 1 1 10 10 ARG HG3 H . . . . . 3.73 1.8 4.85 . . . . . A . 13 ARG HD3 . . A . 13 ARG HG3 . . . 13 . HD1 . . . . . 13 . HG# . . rr_1niz 1 152 2 OR . 1 1 10 10 ARG HD3 H . . . 1 1 10 10 ARG HG2 H . . . . . 3.73 1.8 4.85 . . . . . A . 13 ARG HD3 . . A . 13 ARG HG2 . . . 13 . HD1 . . . . . 13 . HG# . . rr_1niz 1 153 1 OR . 1 1 7 7 GLY HA2 H . . . 1 1 10 10 ARG HD2 H . . . . . 3.81 1.8 4.95 . . . . . A . 10 GLY HA2 . . A . 13 ARG HD2 . . . 10 . HA# . . . . . 13 . HD2 . . rr_1niz 1 153 2 OR . 1 1 7 7 GLY HA3 H . . . 1 1 10 10 ARG HD2 H . . . . . 3.81 1.8 4.95 . . . . . A . 10 GLY HA3 . . A . 13 ARG HD2 . . . 10 . HA# . . . . . 13 . HD2 . . rr_1niz 1 154 1 OR . 1 1 10 10 ARG HG3 H . . . 1 1 10 10 ARG HD2 H . . . . . 3.73 1.8 4.85 . . . . . A . 13 ARG HG3 . . A . 13 ARG HD2 . . . 13 . HG# . . . . . 13 . HD2 . . rr_1niz 1 154 2 OR . 1 1 10 10 ARG HD2 H . . . 1 1 10 10 ARG HG2 H . . . . . 3.73 1.8 4.85 . . . . . A . 13 ARG HD2 . . A . 13 ARG HG2 . . . 13 . HD2 . . . . . 13 . HG# . . rr_1niz 1 155 1 OR . 1 1 10 10 ARG HG3 H . . . 1 1 7 7 GLY HA3 H . . . . . 4.17 1.8 5.42 . . . . . A . 13 ARG HG3 . . A . 10 GLY HA3 . . . 13 . HG1 . . . . . 10 . HA# . . rr_1niz 1 155 2 OR . 1 1 7 7 GLY HA2 H . . . 1 1 10 10 ARG HG3 H . . . . . 4.17 1.8 5.42 . . . . . A . 10 GLY HA2 . . A . 13 ARG HG3 . . . 10 . HA# . . . . . 13 . HG1 . . rr_1niz 1 156 1 . . 1 1 10 10 ARG HG3 H . . . 1 1 10 10 ARG HG2 H . . . . . 4.00 1.8 5.20 . . . . . A . 13 ARG HG3 . . A . 13 ARG HG2 . . . 13 . HG1 . . . . . 13 . HG2 . . rr_1niz 1 157 1 OR . 1 1 7 7 GLY HA2 H . . . 1 1 10 10 ARG HG2 H . . . . . 4.17 1.8 5.42 . . . . . A . 10 GLY HA2 . . A . 13 ARG HG2 . . . 10 . HA# . . . . . 13 . HG2 . . rr_1niz 1 157 2 OR . 1 1 7 7 GLY HA3 H . . . 1 1 10 10 ARG HG2 H . . . . . 4.17 1.8 5.42 . . . . . A . 10 GLY HA3 . . A . 13 ARG HG2 . . . 10 . HA# . . . . . 13 . HG2 . . rr_1niz 1 158 1 . . 1 1 11 11 ALA HA H . . . 1 1 11 11 ALA MB H . . . . . 2.68 1.8 3.48 . . . . . A . 14 ALA HA . . A . 14 ALA MB . . . 14 . HA . . . . . 14 . HB# . . rr_1niz 1 159 1 . . 1 1 13 13 TYR QD H . . . 1 1 11 11 ALA MB H . . . . . 4.31 1.8 5.60 . . . . . A . 16 TYR QD . . A . 14 ALA MB . . . 16 . HD# . . . . . 14 . HB# . . rr_1niz 1 160 1 . . 1 1 12 12 PHE HA H . . . 1 1 12 12 PHE QD H . . . . . 3.71 1.8 4.82 . . . . . A . 15 PHE HA . . A . 15 PHE QD . . . 15 . HA . . . . . 15 . HD# . . rr_1niz 1 161 1 . . 1 1 12 12 PHE QE H . . . 1 1 12 12 PHE HA H . . . . . 4.37 1.8 5.68 . . . . . A . 15 PHE QE . . A . 15 PHE HA . . . 15 . HE# . . . . . 15 . HA . . rr_1niz 1 162 1 . . 1 1 11 11 ALA HA H . . . 1 1 12 12 PHE HA H . . . . . 3.66 1.8 4.76 . . . . . A . 14 ALA HA . . A . 15 PHE HA . . . 14 . HA . . . . . 15 . HA . . rr_1niz 1 163 1 . . 1 1 11 11 ALA MB H . . . 1 1 12 12 PHE HA H . . . . . 4.19 1.8 5.45 . . . . . A . 14 ALA MB . . A . 15 PHE HA . . . 14 . HB# . . . . . 15 . HA . . rr_1niz 1 164 1 OR . 1 1 12 12 PHE HA H . . . 1 1 6 6 ILE HG13 H . . . . . 4.54 1.8 5.90 . . . . . A . 15 PHE HA . . A . 9 ILE HG13 . . . 15 . HA . . . . . 9 . HG# . . rr_1niz 1 164 2 OR . 1 1 12 12 PHE HA H . . . 1 1 6 6 ILE MG H . . . . . 4.54 1.8 5.90 . . . . . A . 15 PHE HA . . A . 9 ILE MG . . . 15 . HA . . . . . 9 . HG# . . rr_1niz 1 164 3 OR . 1 1 12 12 PHE HA H . . . 1 1 6 6 ILE HG12 H . . . . . 4.54 1.8 5.90 . . . . . A . 15 PHE HA . . A . 9 ILE HG12 . . . 15 . HA . . . . . 9 . HG# . . rr_1niz 1 165 1 OR . 1 1 11 11 ALA MB H . . . 1 1 12 12 PHE HB2 H . . . . . 4.76 1.8 6.19 . . . . . A . 14 ALA MB . . A . 15 PHE HB2 . . . 14 . HB# . . . . . 15 . HB# . . rr_1niz 1 165 2 OR . 1 1 12 12 PHE HB3 H . . . 1 1 11 11 ALA MB H . . . . . 4.76 1.8 6.19 . . . . . A . 15 PHE HB3 . . A . 14 ALA MB . . . 15 . HB# . . . . . 14 . HB# . . rr_1niz 1 166 1 OR . 1 1 12 12 PHE HA H . . . 1 1 12 12 PHE HB2 H . . . . . 2.99 1.8 3.89 . . . . . A . 15 PHE HA . . A . 15 PHE HB2 . . . 15 . HA . . . . . 15 . HB# . . rr_1niz 1 166 2 OR . 1 1 12 12 PHE HB3 H . . . 1 1 12 12 PHE HA H . . . . . 2.99 1.8 3.89 . . . . . A . 15 PHE HB3 . . A . 15 PHE HA . . . 15 . HB# . . . . . 15 . HA . . rr_1niz 1 167 1 OR . 1 1 12 12 PHE QD H . . . 1 1 12 12 PHE HB2 H . . . . . 3.93 1.8 5.11 . . . . . A . 15 PHE QD . . A . 15 PHE HB2 . . . 15 . HD# . . . . . 15 . HB# . . rr_1niz 1 167 2 OR . 1 1 12 12 PHE HB3 H . . . 1 1 12 12 PHE QD H . . . . . 3.93 1.8 5.11 . . . . . A . 15 PHE HB3 . . A . 15 PHE QD . . . 15 . HB# . . . . . 15 . HD# . . rr_1niz 1 168 1 OR . 1 1 12 12 PHE QE H . . . 1 1 12 12 PHE HB2 H . . . . . 4.60 1.8 5.98 . . . . . A . 15 PHE QE . . A . 15 PHE HB2 . . . 15 . HE# . . . . . 15 . HB# . . rr_1niz 1 168 2 OR . 1 1 12 12 PHE HB3 H . . . 1 1 12 12 PHE QE H . . . . . 4.60 1.8 5.98 . . . . . A . 15 PHE HB3 . . A . 15 PHE QE . . . 15 . HB# . . . . . 15 . HE# . . rr_1niz 1 169 1 OR . 1 1 12 12 PHE HZ H . . . 1 1 12 12 PHE HB2 H . . . . . 4.45 1.8 5.78 . . . . . A . 15 PHE HZ . . A . 15 PHE HB2 . . . 15 . HZ# . . . . . 15 . HB# . . rr_1niz 1 169 2 OR . 1 1 12 12 PHE HB3 H . . . 1 1 12 12 PHE HZ H . . . . . 4.45 1.8 5.78 . . . . . A . 15 PHE HB3 . . A . 15 PHE HZ . . . 15 . HB# . . . . . 15 . HZ# . . rr_1niz 1 170 1 OR . 1 1 12 12 PHE HB3 H . . . 1 1 6 6 ILE MG H . . . . . 4.98 1.8 6.47 . . . . . A . 15 PHE HB3 . . A . 9 ILE MG . . . 15 . HB# . . . . . 9 . HG2# . . rr_1niz 1 170 2 OR . 1 1 6 6 ILE MG H . . . 1 1 12 12 PHE HB2 H . . . . . 4.98 1.8 6.47 . . . . . A . 9 ILE MG . . A . 15 PHE HB2 . . . 9 . HG2# . . . . . 15 . HB# . . rr_1niz 1 171 1 OR . 1 1 14 14 THR MG H . . . 1 1 12 12 PHE HB2 H . . . . . 5.10 1.8 6.63 . . . . . A . 17 THR MG . . A . 15 PHE HB2 . . . 17 . HG2# . . . . . 15 . HB# . . rr_1niz 1 171 2 OR . 1 1 12 12 PHE HB3 H . . . 1 1 14 14 THR MG H . . . . . 5.10 1.8 6.63 . . . . . A . 15 PHE HB3 . . A . 17 THR MG . . . 15 . HB# . . . . . 17 . HG2# . . rr_1niz 1 172 1 . . 1 1 13 13 TYR QE H . . . 1 1 13 13 TYR HA H . . . . . 3.90 1.8 5.07 . . . . . A . 16 TYR QE . . A . 16 TYR HA . . . 16 . HE# . . . . . 16 . HA . . rr_1niz 1 173 1 . . 1 1 13 13 TYR HA H . . . 1 1 13 13 TYR QD H . . . . . 3.45 1.8 4.49 . . . . . A . 16 TYR HA . . A . 16 TYR QD . . . 16 . HA . . . . . 16 . HD# . . rr_1niz 1 174 1 . . 1 1 13 13 TYR HA H . . . 1 1 14 14 THR MG H . . . . . 4.30 1.8 5.59 . . . . . A . 16 TYR HA . . A . 17 THR MG . . . 16 . HA . . . . . 17 . HG2# . . rr_1niz 1 175 1 OR . 1 1 4 4 ILE HG12 H . . . 1 1 13 13 TYR HA H . . . . . 4.17 1.8 5.42 . . . . . A . 7 ILE HG12 . . A . 16 TYR HA . . . 7 . HG1# . . . . . 16 . HA . . rr_1niz 1 175 2 OR . 1 1 13 13 TYR HA H . . . 1 1 4 4 ILE HG13 H . . . . . 4.17 1.8 5.42 . . . . . A . 16 TYR HA . . A . 7 ILE HG13 . . . 16 . HA . . . . . 7 . HG1# . . rr_1niz 1 176 1 . . 1 1 13 13 TYR HA H . . . 1 1 4 4 ILE HB H . . . . . 4.37 1.8 5.68 . . . . . A . 16 TYR HA . . A . 7 ILE HB . . . 16 . HA . . . . . 7 . HB . . rr_1niz 1 177 1 . . 1 1 13 13 TYR HA H . . . 1 1 13 13 TYR HB3 H . . . . . 2.69 1.8 3.50 . . . . . A . 16 TYR HA . . A . 16 TYR HB3 . . . 16 . HA . . . . . 16 . HB1 . . rr_1niz 1 178 1 . . 1 1 13 13 TYR HA H . . . 1 1 13 13 TYR HB2 H . . . . . 2.69 1.8 3.50 . . . . . A . 16 TYR HA . . A . 16 TYR HB2 . . . 16 . HA . . . . . 16 . HB2 . . rr_1niz 1 179 1 . . 1 1 13 13 TYR HB3 H . . . 1 1 13 13 TYR QD H . . . . . 3.64 1.8 4.73 . . . . . A . 16 TYR HB3 . . A . 16 TYR QD . . . 16 . HB1 . . . . . 16 . HD# . . rr_1niz 1 180 1 . . 1 1 13 13 TYR QE H . . . 1 1 13 13 TYR HB3 H . . . . . 4.06 1.8 5.28 . . . . . A . 16 TYR QE . . A . 16 TYR HB3 . . . 16 . HE# . . . . . 16 . HB1 . . rr_1niz 1 181 1 . . 1 1 13 13 TYR HA H . . . 1 1 13 13 TYR HB3 H . . . . . 2.91 1.8 3.78 . . . . . A . 16 TYR HA . . A . 16 TYR HB3 . . . 16 . HA . . . . . 16 . HB1 . . rr_1niz 1 182 1 . . 1 1 13 13 TYR QD H . . . 1 1 13 13 TYR HB2 H . . . . . 3.64 1.8 4.73 . . . . . A . 16 TYR QD . . A . 16 TYR HB2 . . . 16 . HD# . . . . . 16 . HB2 . . rr_1niz 1 183 1 . . 1 1 13 13 TYR QE H . . . 1 1 13 13 TYR HB2 H . . . . . 4.06 1.8 5.28 . . . . . A . 16 TYR QE . . A . 16 TYR HB2 . . . 16 . HE# . . . . . 16 . HB2 . . rr_1niz 1 184 1 . . 1 1 13 13 TYR HA H . . . 1 1 13 13 TYR HB2 H . . . . . 2.91 1.8 3.78 . . . . . A . 16 TYR HA . . A . 16 TYR HB2 . . . 16 . HA . . . . . 16 . HB2 . . rr_1niz 1 185 1 . . 1 1 13 13 TYR QE H . . . 1 1 14 14 THR HA H . . . . . 4.00 1.8 5.20 . . . . . A . 16 TYR QE . . A . 17 THR HA . . . 16 . HE# . . . . . 17 . HA . . rr_1niz 1 186 1 . . 1 1 14 14 THR MG H . . . 1 1 14 14 THR HA H . . . . . 2.89 1.8 3.76 . . . . . A . 17 THR MG . . A . 17 THR HA . . . 17 . HG2# . . . . . 17 . HA . . rr_1niz 1 187 1 . . 1 1 13 13 TYR HA H . . . 1 1 14 14 THR HA H . . . . . 4.00 1.8 5.20 . . . . . A . 16 TYR HA . . A . 17 THR HA . . . 16 . HA . . . . . 17 . HA . . rr_1niz 1 188 1 . . 1 1 13 13 TYR HB3 H . . . 1 1 14 14 THR HA H . . . . . 4.56 1.8 5.93 . . . . . A . 16 TYR HB3 . . A . 17 THR HA . . . 16 . HB1 . . . . . 17 . HA . . rr_1niz 1 189 1 . . 1 1 14 14 THR HA H . . . 1 1 13 13 TYR HB2 H . . . . . 4.56 1.8 5.93 . . . . . A . 17 THR HA . . A . 16 TYR HB2 . . . 17 . HA . . . . . 16 . HB2 . . rr_1niz 1 190 1 . . 1 1 14 14 THR HA H . . . 1 1 14 14 THR HB H . . . . . 2.21 1.8 2.87 . . . . . A . 17 THR HA . . A . 17 THR HB . . . 17 . HA . . . . . 17 . HB . . rr_1niz 1 191 1 . . 1 1 14 14 THR MG H . . . 1 1 14 14 THR HB H . . . . . 2.65 1.8 3.44 . . . . . A . 17 THR MG . . A . 17 THR HB . . . 17 . HG2# . . . . . 17 . HB . . rr_1niz 1 192 1 . . 1 1 14 14 THR MG H . . . 1 1 14 14 THR HB H . . . . . 2.52 1.8 3.28 . . . . . A . 17 THR MG . . A . 17 THR HB . . . 17 . HG2# . . . . . 17 . HB . . rr_1niz 1 193 1 . . 1 1 13 13 TYR HA H . . . 1 1 14 14 THR MG H . . . . . 3.77 1.8 4.90 . . . . . A . 16 TYR HA . . A . 17 THR MG . . . 16 . HA# . . . . . 17 . HG2# . . rr_1niz 1 194 1 . . 1 1 15 15 THR HA H . . . 1 1 4 4 ILE HG13 H . . . . . 4.46 1.8 5.80 . . . . . A . 18 THR HA . . A . 7 ILE HG13 . . . 18 . HA . . . . . 7 . HG11 . . rr_1niz 1 195 1 OR . 1 1 4 4 ILE HG12 H . . . 1 1 15 15 THR HA H . . . . . 3.99 1.8 5.19 . . . . . A . 7 ILE HG12 . . A . 18 THR HA . . . 7 . HG1# . . . . . 18 . HA . . rr_1niz 1 195 2 OR . 1 1 15 15 THR HA H . . . 1 1 4 4 ILE HG13 H . . . . . 3.99 1.8 5.19 . . . . . A . 18 THR HA . . A . 7 ILE HG13 . . . 18 . HA . . . . . 7 . HG1# . . rr_1niz 1 196 1 . . 1 1 4 4 ILE HG12 H . . . 1 1 15 15 THR HA H . . . . . 4.46 1.8 5.80 . . . . . A . 7 ILE HG12 . . A . 18 THR HA . . . 7 . HG12 . . . . . 18 . HA . . rr_1niz 1 197 1 . . 1 1 2 2 LYS HG2 H . . . 1 1 15 15 THR HA H . . . . . 4.14 1.8 5.34 . . . . . A . 5 LYS HG2 . . A . 18 THR HA . . . 5 . HG2 . . . . . 18 . HA . . rr_1niz 1 198 1 . . 1 1 15 15 THR HB H . . . 1 1 2 2 LYS HG3 H . . . . . 4.23 1.8 5.50 . . . . . A . 18 THR HB . . A . 5 LYS HG3 . . . 18 . HB . . . . . 5 . HG1 . . rr_1niz 1 199 1 . . 1 1 15 15 THR HB H . . . 1 1 2 2 LYS HG2 H . . . . . 4.23 1.8 5.50 . . . . . A . 18 THR HB . . A . 5 LYS HG2 . . . 18 . HB . . . . . 5 . HG2 . . rr_1niz 1 200 1 OR . 1 1 15 15 THR HB H . . . 1 1 2 2 LYS HD3 H . . . . . 3.97 1.8 5.16 . . . . . A . 18 THR HB . . A . 5 LYS HD3 . . . 18 . HB . . . . . 5 . HD# . . rr_1niz 1 200 2 OR . 1 1 2 2 LYS HD2 H . . . 1 1 15 15 THR HB H . . . . . 3.97 1.8 5.16 . . . . . A . 5 LYS HD2 . . A . 18 THR HB . . . 5 . HD# . . . . . 18 . HB . . rr_1niz 1 201 1 OR . 1 1 15 15 THR HB H . . . 1 1 2 2 LYS HB2 H . . . . . 4.11 1.8 5.34 . . . . . A . 18 THR HB . . A . 5 LYS HB2 . . . 18 . HB . . . . . 5 . HB# . . rr_1niz 1 201 2 OR . 1 1 2 2 LYS HB3 H . . . 1 1 15 15 THR HB H . . . . . 4.11 1.8 5.34 . . . . . A . 5 LYS HB3 . . A . 18 THR HB . . . 5 . HB# . . . . . 18 . HB . . rr_1niz 1 202 1 . . 1 1 15 15 THR HB H . . . 1 1 15 15 THR HA H . . . . . 2.27 1.8 2.95 . . . . . A . 18 THR HB . . A . 18 THR HA . . . 18 . HB . . . . . 18 . HA . . rr_1niz 1 203 1 . . 1 1 2 2 LYS HE3 H . . . 1 1 15 15 THR MG H . . . . . 3.92 1.8 5.10 . . . . . A . 5 LYS HE3 . . A . 18 THR MG . . . 5 . HE1 . . . . . 18 . HG2# . . rr_1niz 1 204 1 . . 1 1 15 15 THR MG H . . . 1 1 2 2 LYS HE2 H . . . . . 3.92 1.8 5.10 . . . . . A . 18 THR MG . . A . 5 LYS HE2 . . . 18 . HG2# . . . . . 5 . HE2 . . rr_1niz 1 205 1 . . 1 1 15 15 THR MG H . . . 1 1 13 13 TYR QD H . . . . . 4.35 1.8 5.65 . . . . . A . 18 THR MG . . A . 16 TYR QD . . . 18 . HG2# . . . . . 16 . HD# . . rr_1niz 1 206 1 . . 1 1 15 15 THR MG H . . . 1 1 13 13 TYR QE H . . . . . 4.00 1.8 5.20 . . . . . A . 18 THR MG . . A . 16 TYR QE . . . 18 . HG2# . . . . . 16 . HE# . . rr_1niz 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 '! 13C-NOESY constrains' 2 1 2 24 rr_1niz 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID rr_1niz _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1niz 2 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 2 2 LYS HD2 H . . . 1 1 2 2 LYS H H . . . . . 4.41 1.8 5.73 . . . . . A . 5 LYS HD2 . . A . 5 LYS H . . . 5 . HD2 . . . . . 5 . HN . . rr_1niz 2 2 1 . . 1 1 2 2 LYS H H . . . 1 1 2 2 LYS HD3 H . . . . . 4.41 1.8 5.73 . . . . . A . 5 LYS H . . A . 5 LYS HD3 . . . 5 . HN . . . . . 5 . HD1 . . rr_1niz 2 3 1 . . 1 1 2 2 LYS HA H . . . 1 1 2 2 LYS H H . . . . . 2.32 1.8 3.02 . . . . . A . 5 LYS HA . . A . 5 LYS H . . . 5 . HA . . . . . 5 . HN . . rr_1niz 2 4 1 OR . 1 1 2 2 LYS H H . . . 1 1 2 2 LYS HB2 H . . . . . 2.52 1.8 3.27 . . . . . A . 5 LYS H . . A . 5 LYS HB2 . . . 5 . HN . . . . . 5 . HB# . . rr_1niz 2 4 2 OR . 1 1 2 2 LYS HB3 H . . . 1 1 2 2 LYS H H . . . . . 2.52 1.8 3.27 . . . . . A . 5 LYS HB3 . . A . 5 LYS H . . . 5 . HB# . . . . . 5 . HN . . rr_1niz 2 5 1 OR . 1 1 2 2 LYS H H . . . 1 1 2 2 LYS HG3 H . . . . . 2.80 1.8 3.64 . . . . . A . 5 LYS H . . A . 5 LYS HG3 . . . 5 . HN . . . . . 5 . HG# . . rr_1niz 2 5 2 OR . 1 1 2 2 LYS HG2 H . . . 1 1 2 2 LYS H H . . . . . 2.80 1.8 3.64 . . . . . A . 5 LYS HG2 . . A . 5 LYS H . . . 5 . HG# . . . . . 5 . HN . . rr_1niz 2 6 1 . . 1 1 4 4 ILE MD H . . . 1 1 3 3 ARG H H . . . . . 4.87 1.8 6.33 . . . . . A . 7 ILE MD . . A . 6 ARG H . . . 7 . HD# . . . . . 6 . HN . . rr_1niz 2 7 1 OR . 1 1 3 3 ARG H H . . . 1 1 3 3 ARG HD2 H . . . . . 4.08 1.8 5.30 . . . . . A . 6 ARG H . . A . 6 ARG HD2 . . . 6 . HN . . . . . 6 . HD# . . rr_1niz 2 7 2 OR . 1 1 3 3 ARG H H . . . 1 1 3 3 ARG HD3 H . . . . . 4.08 1.8 5.30 . . . . . A . 6 ARG H . . A . 6 ARG HD3 . . . 6 . HN . . . . . 6 . HD# . . rr_1niz 2 8 1 . . 1 1 2 2 LYS HA H . . . 1 1 3 3 ARG H H . . . . . 2.41 1.8 3.13 . . . . . A . 5 LYS HA . . A . 6 ARG H . . . 5 . HA . . . . . 6 . HN . . rr_1niz 2 9 1 . . 1 1 15 15 THR HA H . . . 1 1 3 3 ARG H H . . . . . 3.68 1.8 4.78 . . . . . A . 18 THR HA . . A . 6 ARG H . . . 18 . HA . . . . . 6 . HN . . rr_1niz 2 10 1 . . 1 1 3 3 ARG H H . . . 1 1 4 4 ILE H H . . . . . 3.91 1.8 5.08 . . . . . A . 6 ARG H . . A . 7 ILE H . . . 6 . HN . . . . . 7 . HN . . rr_1niz 2 11 1 . . 1 1 3 3 ARG HA H . . . 1 1 3 3 ARG H H . . . . . 3.48 1.8 4.52 . . . . . A . 6 ARG HA . . A . 6 ARG H . . . 6 . HA . . . . . 6 . HN . . rr_1niz 2 12 1 . . 1 1 3 3 ARG H H . . . 1 1 3 3 ARG HB2 H . . . . . 3.35 1.8 4.36 . . . . . A . 6 ARG H . . A . 6 ARG HB2 . . . 6 . HN . . . . . 6 . HB2 . . rr_1niz 2 13 1 . . 1 1 3 3 ARG HB3 H . . . 1 1 3 3 ARG H H . . . . . 3.35 1.8 4.36 . . . . . A . 6 ARG HB3 . . A . 6 ARG H . . . 6 . HB1 . . . . . 6 . HN . . rr_1niz 2 14 1 . . 1 1 4 4 ILE H H . . . 1 1 5 5 HIS H H . . . . . 4.35 1.8 5.66 . . . . . A . 7 ILE H . . A . 8 HIS H . . . 7 . HN . . . . . 8 . HN . . rr_1niz 2 15 1 . . 1 1 3 3 ARG HA H . . . 1 1 4 4 ILE H H . . . . . 2.51 1.8 3.26 . . . . . A . 6 ARG HA . . A . 7 ILE H . . . 6 . HA . . . . . 7 . HN . . rr_1niz 2 16 1 . . 1 1 4 4 ILE HA H . . . 1 1 4 4 ILE H H . . . . . 3.39 1.8 4.41 . . . . . A . 7 ILE HA . . A . 7 ILE H . . . 7 . HA . . . . . 7 . HN . . rr_1niz 2 17 1 OR . 1 1 4 4 ILE H H . . . 1 1 3 3 ARG HB2 H . . . . . 3.43 1.8 4.46 . . . . . A . 7 ILE H . . A . 6 ARG HB2 . . . 7 . HN . . . . . 6 . HB# . . rr_1niz 2 17 2 OR . 1 1 3 3 ARG HB3 H . . . 1 1 4 4 ILE H H . . . . . 3.43 1.8 4.46 . . . . . A . 6 ARG HB3 . . A . 7 ILE H . . . 6 . HB# . . . . . 7 . HN . . rr_1niz 2 18 1 . . 1 1 4 4 ILE HB H . . . 1 1 4 4 ILE H H . . . . . 2.88 1.8 3.74 . . . . . A . 7 ILE HB . . A . 7 ILE H . . . 7 . HB . . . . . 7 . HN . . rr_1niz 2 19 1 OR . 1 1 4 4 ILE HG12 H . . . 1 1 4 4 ILE H H . . . . . 3.29 1.8 4.28 . . . . . A . 7 ILE HG12 . . A . 7 ILE H . . . 7 . HG1# . . . . . 7 . HN . . rr_1niz 2 19 2 OR . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE HG13 H . . . . . 3.29 1.8 4.28 . . . . . A . 7 ILE H . . A . 7 ILE HG13 . . . 7 . HN . . . . . 7 . HG1# . . rr_1niz 2 20 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE MG H . . . . . 4.07 1.8 5.29 . . . . . A . 7 ILE H . . A . 7 ILE MG . . . 7 . HN . . . . . 7 . HG2# . . rr_1niz 2 21 1 . . 1 1 4 4 ILE MD H . . . 1 1 4 4 ILE H H . . . . . 4.12 1.8 5.36 . . . . . A . 7 ILE MD . . A . 7 ILE H . . . 7 . HD# . . . . . 7 . HN . . rr_1niz 2 22 1 . . 1 1 5 5 HIS HD2 H . . . 1 1 5 5 HIS H H . . . . . 3.42 1.8 4.44 . . . . . A . 8 HIS HD2 . . A . 8 HIS H . . . 8 . HD2 . . . . . 8 . HN . . rr_1niz 2 23 1 . . 1 1 5 5 HIS HA H . . . 1 1 5 5 HIS H H . . . . . 3.64 1.8 4.73 . . . . . A . 8 HIS HA . . A . 8 HIS H . . . 8 . HA . . . . . 8 . HN . . rr_1niz 2 24 1 . . 1 1 13 13 TYR HA H . . . 1 1 5 5 HIS H H . . . . . 3.78 1.8 4.91 . . . . . A . 16 TYR HA . . A . 8 HIS H . . . 16 . HA . . . . . 8 . HN . . rr_1niz 2 25 1 . . 1 1 4 4 ILE HA H . . . 1 1 5 5 HIS H H . . . . . 2.50 1.8 3.25 . . . . . A . 7 ILE HA . . A . 8 HIS H . . . 7 . HA . . . . . 8 . HN . . rr_1niz 2 26 1 . . 1 1 5 5 HIS HB3 H . . . 1 1 5 5 HIS H H . . . . . 3.18 1.8 4.13 . . . . . A . 8 HIS HB3 . . A . 8 HIS H . . . 8 . HB1 . . . . . 8 . HN . . rr_1niz 2 27 1 . . 1 1 5 5 HIS HB2 H . . . 1 1 5 5 HIS H H . . . . . 3.45 1.8 4.85 . . . . . A . 8 HIS HB2 . . A . 8 HIS H . . . 8 . HB2 . . . . . 8 . HN . . rr_1niz 2 28 1 OR . 1 1 4 4 ILE HG12 H . . . 1 1 5 5 HIS H H . . . . . 3.70 1.8 4.81 . . . . . A . 7 ILE HG12 . . A . 8 HIS H . . . 7 . HG1# . . . . . 8 . HN . . rr_1niz 2 28 2 OR . 1 1 5 5 HIS H H . . . 1 1 4 4 ILE HG13 H . . . . . 3.70 1.8 4.81 . . . . . A . 8 HIS H . . A . 7 ILE HG13 . . . 8 . HN . . . . . 7 . HG1# . . rr_1niz 2 29 1 . . 1 1 5 5 HIS H H . . . 1 1 4 4 ILE MG H . . . . . 3.55 1.8 4.61 . . . . . A . 8 HIS H . . A . 7 ILE MG . . . 8 . HN . . . . . 7 . HG2# . . rr_1niz 2 30 1 . . 1 1 4 4 ILE MD H . . . 1 1 5 5 HIS H H . . . . . 4.29 1.8 5.58 . . . . . A . 7 ILE MD . . A . 8 HIS H . . . 7 . HD# . . . . . 8 . HN . . rr_1niz 2 31 1 . . 1 1 6 6 ILE HA H . . . 1 1 5 5 HIS H H . . . . . 4.64 1.8 6.03 . . . . . A . 9 ILE HA . . A . 8 HIS H . . . 9 . HA . . . . . 8 . HN . . rr_1niz 2 32 1 . . 1 1 5 5 HIS HA H . . . 1 1 6 6 ILE H H . . . . . 3.02 1.8 3.93 . . . . . A . 8 HIS HA . . A . 9 ILE H . . . 8 . HA . . . . . 9 . HN . . rr_1niz 2 33 1 . . 1 1 6 6 ILE HB H . . . 1 1 6 6 ILE H H . . . . . 3.34 1.8 4.34 . . . . . A . 9 ILE HB . . A . 9 ILE H . . . 9 . HB . . . . . 9 . HN . . rr_1niz 2 34 1 . . 1 1 5 5 HIS HB3 H . . . 1 1 6 6 ILE H H . . . . . 4.23 1.8 5.50 . . . . . A . 8 HIS HB3 . . A . 9 ILE H . . . 8 . HB1 . . . . . 9 . HN . . rr_1niz 2 35 1 . . 1 1 5 5 HIS HB2 H . . . 1 1 6 6 ILE H H . . . . . 4.23 1.8 5.50 . . . . . A . 8 HIS HB2 . . A . 9 ILE H . . . 8 . HB2 . . . . . 9 . HN . . rr_1niz 2 36 1 OR . 1 1 6 6 ILE HG12 H . . . 1 1 6 6 ILE H H . . . . . 3.78 1.8 4.91 . . . . . A . 9 ILE HG12 . . A . 9 ILE H . . . 9 . HG1# . . . . . 9 . HN . . rr_1niz 2 36 2 OR . 1 1 6 6 ILE H H . . . 1 1 6 6 ILE HG13 H . . . . . 3.78 1.8 4.91 . . . . . A . 9 ILE H . . A . 9 ILE HG13 . . . 9 . HN . . . . . 9 . HG1# . . rr_1niz 2 37 1 . . 1 1 6 6 ILE MD H . . . 1 1 6 6 ILE H H . . . . . 4.48 1.8 5.82 . . . . . A . 9 ILE MD . . A . 9 ILE H . . . 9 . HD# . . . . . 9 . HN . . rr_1niz 2 38 1 . . 1 1 6 6 ILE HA H . . . 1 1 6 6 ILE H H . . . . . 3.99 1.8 5.19 . . . . . A . 9 ILE HA . . A . 9 ILE H . . . 9 . HA . . . . . 9 . HN . . rr_1niz 2 39 1 OR . 1 1 6 6 ILE HG12 H . . . 1 1 6 6 ILE H H . . . . . 3.61 1.8 4.69 . . . . . A . 9 ILE HG12 . . A . 9 ILE H . . . 9 . HG1# . . . . . 9 . HN . . rr_1niz 2 39 2 OR . 1 1 6 6 ILE H H . . . 1 1 6 6 ILE HG13 H . . . . . 3.61 1.8 4.69 . . . . . A . 9 ILE H . . A . 9 ILE HG13 . . . 9 . HN . . . . . 9 . HG1# . . rr_1niz 2 40 1 OR . 1 1 6 6 ILE HG12 H . . . 1 1 7 7 GLY H H . . . . . 3.65 1.8 4.75 . . . . . A . 9 ILE HG12 . . A . 10 GLY H . . . 9 . HG1# . . . . . 10 . HN . . rr_1niz 2 40 2 OR . 1 1 7 7 GLY H H . . . 1 1 6 6 ILE HG13 H . . . . . 3.65 1.8 4.75 . . . . . A . 10 GLY H . . A . 9 ILE HG13 . . . 10 . HN . . . . . 9 . HG1# . . rr_1niz 2 41 1 . . 1 1 6 6 ILE HA H . . . 1 1 7 7 GLY H H . . . . . 2.76 1.8 3.59 . . . . . A . 9 ILE HA . . A . 10 GLY H . . . 9 . HA . . . . . 10 . HN . . rr_1niz 2 42 1 . . 1 1 7 7 GLY H H . . . 1 1 12 12 PHE H H . . . . . 4.38 1.8 5.69 . . . . . A . 10 GLY H . . A . 15 PHE H . . . 10 . HN . . . . . 15 . HN . . rr_1niz 2 43 1 . . 1 1 7 7 GLY H H . . . 1 1 10 10 ARG HG2 H . . . . . 3.76 1.8 4.89 . . . . . A . 10 GLY H . . A . 13 ARG HG2 . . . 10 . HN . . . . . 13 . HG2# . . rr_1niz 2 44 1 . . 1 1 6 6 ILE MD H . . . 1 1 7 7 GLY H H . . . . . 4.37 1.8 5.68 . . . . . A . 9 ILE MD . . A . 10 GLY H . . . 9 . HD1# . . . . . 10 . HN . . rr_1niz 2 45 1 . . 1 1 7 7 GLY HA2 H . . . 1 1 7 7 GLY H H . . . . . 3.88 1.8 5.04 . . . . . A . 10 GLY HA2 . . A . 10 GLY H . . . 10 . HA2 . . . . . 10 . HN . . rr_1niz 2 46 1 . . 1 1 7 7 GLY H H . . . 1 1 7 7 GLY HA3 H . . . . . 3.88 1.8 5.04 . . . . . A . 10 GLY H . . A . 10 GLY HA3 . . . 10 . HN . . . . . 10 . HA1 . . rr_1niz 2 47 1 OR . 1 1 7 7 GLY H H . . . 1 1 8 8 PRO HD2 H . . . . . 4.36 1.8 5.67 . . . . . A . 10 GLY H . . A . 11 PRO HD2 . . . 10 . HN . . . . . 11 . HD# . . rr_1niz 2 47 2 OR . 1 1 8 8 PRO HD3 H . . . 1 1 7 7 GLY H H . . . . . 4.36 1.8 5.67 . . . . . A . 11 PRO HD3 . . A . 10 GLY H . . . 11 . HD# . . . . . 10 . HN . . rr_1niz 2 48 1 . . 1 1 7 7 GLY H H . . . 1 1 10 10 ARG H H . . . . . 4.23 1.8 5.50 . . . . . A . 10 GLY H . . A . 13 ARG H . . . 10 . HN . . . . . 13 . HN . . rr_1niz 2 49 1 . . 1 1 8 8 PRO HA H . . . 1 1 9 9 GLY H H . . . . . 2.72 1.8 3.54 . . . . . A . 11 PRO HA . . A . 12 GLY H . . . 11 . HA . . . . . 12 . HN . . rr_1niz 2 50 1 . . 1 1 9 9 GLY H H . . . 1 1 9 9 GLY HA3 H . . . . . 3.27 1.8 4.25 . . . . . A . 12 GLY H . . A . 12 GLY HA3 . . . 12 . HN . . . . . 12 . HA1 . . rr_1niz 2 51 1 . . 1 1 9 9 GLY H H . . . 1 1 9 9 GLY HA2 H . . . . . 3.27 1.8 4.25 . . . . . A . 12 GLY H . . A . 12 GLY HA2 . . . 12 . HN . . . . . 12 . HA2 . . rr_1niz 2 52 1 . . 1 1 8 8 PRO HB2 H . . . 1 1 9 9 GLY H H . . . . . 3.76 1.8 4.89 . . . . . A . 11 PRO HB2 . . A . 12 GLY H . . . 11 . HB2 . . . . . 12 . HN . . rr_1niz 2 53 1 . . 1 1 9 9 GLY H H . . . 1 1 8 8 PRO HB3 H . . . . . 3.76 1.8 4.89 . . . . . A . 12 GLY H . . A . 11 PRO HB3 . . . 12 . HN . . . . . 11 . HB1 . . rr_1niz 2 54 1 . . 1 1 10 10 ARG H H . . . 1 1 9 9 GLY HA3 H . . . . . 3.87 1.8 5.03 . . . . . A . 13 ARG H . . A . 12 GLY HA3 . . . 13 . HN . . . . . 12 . HA1 . . rr_1niz 2 55 1 . . 1 1 10 10 ARG H H . . . 1 1 9 9 GLY HA2 H . . . . . 3.87 1.8 5.03 . . . . . A . 13 ARG H . . A . 12 GLY HA2 . . . 13 . HN . . . . . 12 . HA2 . . rr_1niz 2 56 1 . . 1 1 8 8 PRO HA H . . . 1 1 10 10 ARG H H . . . . . 3.73 1.8 4.85 . . . . . A . 11 PRO HA . . A . 13 ARG H . . . 11 . HA . . . . . 13 . HN . . rr_1niz 2 57 1 . . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HB2 H . . . . . 3.30 1.8 4.29 . . . . . A . 13 ARG H . . A . 13 ARG HB2 . . . 13 . HN . . . . . 13 . HB2 . . rr_1niz 2 58 1 . . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HB3 H . . . . . 3.30 1.8 4.29 . . . . . A . 13 ARG H . . A . 13 ARG HB3 . . . 13 . HN . . . . . 13 . HB1 . . rr_1niz 2 59 1 . . 1 1 10 10 ARG HA H . . . 1 1 10 10 ARG H H . . . . . 3.34 1.8 4.34 . . . . . A . 13 ARG HA . . A . 13 ARG H . . . 13 . HA . . . . . 13 . HN . . rr_1niz 2 60 1 . . 1 1 10 10 ARG H H . . . 1 1 11 11 ALA H H . . . . . 3.31 1.8 4.30 . . . . . A . 13 ARG H . . A . 14 ALA H . . . 13 . HN . . . . . 14 . HN . . rr_1niz 2 61 1 . . 1 1 10 10 ARG H H . . . 1 1 9 9 GLY H H . . . . . 3.47 1.8 4.51 . . . . . A . 13 ARG H . . A . 12 GLY H . . . 13 . HN . . . . . 12 . HN . . rr_1niz 2 62 1 . . 1 1 11 11 ALA HA H . . . 1 1 10 10 ARG H H . . . . . 4.35 1.8 5.66 . . . . . A . 14 ALA HA . . A . 13 ARG H . . . 14 . HA . . . . . 13 . HN . . rr_1niz 2 63 1 OR . 1 1 11 11 ALA H H . . . 1 1 9 9 GLY HA3 H . . . . . 4.24 1.8 5.51 . . . . . A . 14 ALA H . . A . 12 GLY HA3 . . . 14 . HN . . . . . 12 . HA# . . rr_1niz 2 63 2 OR . 1 1 11 11 ALA H H . . . 1 1 9 9 GLY HA2 H . . . . . 4.24 1.8 5.51 . . . . . A . 14 ALA H . . A . 12 GLY HA2 . . . 14 . HN . . . . . 12 . HA# . . rr_1niz 2 64 1 . . 1 1 10 10 ARG HA H . . . 1 1 11 11 ALA H H . . . . . 2.91 1.8 3.78 . . . . . A . 13 ARG HA . . A . 14 ALA H . . . 13 . HA . . . . . 14 . HN . . rr_1niz 2 65 1 . . 1 1 11 11 ALA HA H . . . 1 1 11 11 ALA H H . . . . . 2.74 1.8 3.56 . . . . . A . 14 ALA HA . . A . 14 ALA H . . . 14 . HA . . . . . 14 . HN . . rr_1niz 2 66 1 . . 1 1 9 9 GLY H H . . . 1 1 11 11 ALA H H . . . . . 4.22 1.8 5.49 . . . . . A . 12 GLY H . . A . 14 ALA H . . . 12 . HN . . . . . 14 . HN . . rr_1niz 2 67 1 . . 1 1 11 11 ALA MB H . . . 1 1 11 11 ALA H H . . . . . 2.83 1.8 3.68 . . . . . A . 14 ALA MB . . A . 14 ALA H . . . 14 . HB# . . . . . 14 . HN . . rr_1niz 2 68 1 OR . 1 1 11 11 ALA H H . . . 1 1 10 10 ARG HB2 H . . . . . 3.25 1.8 4.22 . . . . . A . 14 ALA H . . A . 13 ARG HB2 . . . 14 . HN . . . . . 13 . HB# . . rr_1niz 2 68 2 OR . 1 1 11 11 ALA H H . . . 1 1 10 10 ARG HB3 H . . . . . 3.25 1.8 4.22 . . . . . A . 14 ALA H . . A . 13 ARG HB3 . . . 14 . HN . . . . . 13 . HB# . . rr_1niz 2 69 1 . . 1 1 11 11 ALA HA H . . . 1 1 12 12 PHE H H . . . . . 2.44 1.8 3.17 . . . . . A . 14 ALA HA . . A . 15 PHE H . . . 14 . HA . . . . . 15 . HN . . rr_1niz 2 70 1 . . 1 1 12 12 PHE HA H . . . 1 1 12 12 PHE H H . . . . . 2.63 1.8 3.42 . . . . . A . 15 PHE HA . . A . 15 PHE H . . . 15 . HA . . . . . 15 . HN . . rr_1niz 2 71 1 . . 1 1 12 12 PHE QD H . . . 1 1 12 12 PHE H H . . . . . 3.93 1.8 5.11 . . . . . A . 15 PHE QD . . A . 15 PHE H . . . 15 . HD# . . . . . 15 . HN . . rr_1niz 2 72 1 . . 1 1 12 12 PHE H H . . . 1 1 13 13 TYR H H . . . . . 4.00 1.8 5.20 . . . . . A . 15 PHE H . . A . 16 TYR H . . . 15 . HN . . . . . 16 . HN . . rr_1niz 2 73 1 . . 1 1 11 11 ALA MB H . . . 1 1 12 12 PHE H H . . . . . 3.15 1.8 4.10 . . . . . A . 14 ALA MB . . A . 15 PHE H . . . 14 . HB* . . . . . 15 . HN . . rr_1niz 2 74 1 OR . 1 1 12 12 PHE H H . . . 1 1 12 12 PHE HB2 H . . . . . 2.94 1.8 3.82 . . . . . A . 15 PHE H . . A . 15 PHE HB2 . . . 15 . HN . . . . . 15 . HB# . . rr_1niz 2 74 2 OR . 1 1 12 12 PHE HB3 H . . . 1 1 12 12 PHE H H . . . . . 2.94 1.8 3.82 . . . . . A . 15 PHE HB3 . . A . 15 PHE H . . . 15 . HB# . . . . . 15 . HN . . rr_1niz 2 75 1 . . 1 1 13 13 TYR H H . . . 1 1 4 4 ILE MG H . . . . . 4.79 1.8 6.23 . . . . . A . 16 TYR H . . A . 7 ILE MG . . . 16 . HN . . . . . 7 . HG2# . . rr_1niz 2 76 1 . . 1 1 12 12 PHE HA H . . . 1 1 13 13 TYR H H . . . . . 2.38 1.8 3.09 . . . . . A . 15 PHE HA . . A . 16 TYR H . . . 15 . HA . . . . . 16 . HN . . rr_1niz 2 77 1 . . 1 1 11 11 ALA HA H . . . 1 1 13 13 TYR H H . . . . . 3.59 1.8 4.67 . . . . . A . 14 ALA HA . . A . 16 TYR H . . . 14 . HA# . . . . . 16 . HN . . rr_1niz 2 78 1 . . 1 1 13 13 TYR QD H . . . 1 1 13 13 TYR H H . . . . . 3.70 1.8 4.81 . . . . . A . 16 TYR QD . . A . 16 TYR H . . . 16 . HD# . . . . . 16 . HN . . rr_1niz 2 79 1 . . 1 1 12 12 PHE QD H . . . 1 1 13 13 TYR H H . . . . . 4.33 1.8 5.63 . . . . . A . 15 PHE QD . . A . 16 TYR H . . . 15 . HD# . . . . . 16 . HN . . rr_1niz 2 80 1 . . 1 1 13 13 TYR HB3 H . . . 1 1 13 13 TYR H H . . . . . 2.68 1.8 3.48 . . . . . A . 16 TYR HB3 . . A . 16 TYR H . . . 16 . HB1 . . . . . 16 . HN . . rr_1niz 2 81 1 . . 1 1 13 13 TYR H H . . . 1 1 13 13 TYR HB2 H . . . . . 2.68 1.8 3.48 . . . . . A . 16 TYR H . . A . 16 TYR HB2 . . . 16 . HN . . . . . 16 . HB2 . . rr_1niz 2 82 1 . . 1 1 11 11 ALA MB H . . . 1 1 13 13 TYR H H . . . . . 3.94 1.8 5.12 . . . . . A . 14 ALA MB . . A . 16 TYR H . . . 14 . HB# . . . . . 16 . HN . . rr_1niz 2 83 1 . . 1 1 4 4 ILE HA H . . . 1 1 14 14 THR H H . . . . . 2.91 1.8 3.78 . . . . . A . 7 ILE HA . . A . 17 THR H . . . 7 . HA . . . . . 17 . HN . . rr_1niz 2 84 1 . . 1 1 14 14 THR HA H . . . 1 1 14 14 THR H H . . . . . 3.02 1.8 3.93 . . . . . A . 17 THR HA . . A . 17 THR H . . . 17 . HA . . . . . 17 . HN . . rr_1niz 2 85 1 . . 1 1 13 13 TYR QD H . . . 1 1 14 14 THR H H . . . . . 4.27 1.8 5.55 . . . . . A . 16 TYR QD . . A . 17 THR H . . . 16 . HD# . . . . . 17 . HN . . rr_1niz 2 86 1 . . 1 1 13 13 TYR H H . . . 1 1 14 14 THR H H . . . . . 4.00 1.8 5.20 . . . . . A . 16 TYR H . . A . 17 THR H . . . 16 . HN . . . . . 17 . HN . . rr_1niz 2 87 1 OR . 1 1 14 14 THR H H . . . 1 1 2 2 LYS HG3 H . . . . . 3.85 1.8 5.01 . . . . . A . 17 THR H . . A . 5 LYS HG3 . . . 17 . HN . . . . . 5 . HG# . . rr_1niz 2 87 2 OR . 1 1 2 2 LYS HG2 H . . . 1 1 14 14 THR H H . . . . . 3.85 1.8 5.01 . . . . . A . 5 LYS HG2 . . A . 17 THR H . . . 5 . HG# . . . . . 17 . HN . . rr_1niz 2 88 1 OR . 1 1 14 14 THR H H . . . 1 1 13 13 TYR HB2 H . . . . . 3.12 1.8 4.06 . . . . . A . 17 THR H . . A . 16 TYR HB2 . . . 17 . HN . . . . . 16 . HB# . . rr_1niz 2 88 2 OR . 1 1 13 13 TYR HB3 H . . . 1 1 14 14 THR H H . . . . . 3.12 1.8 4.06 . . . . . A . 16 TYR HB3 . . A . 17 THR H . . . 16 . HB# . . . . . 17 . HN . . rr_1niz 2 89 1 . . 1 1 14 14 THR MG H . . . 1 1 14 14 THR H H . . . . . 3.40 1.8 4.42 . . . . . A . 17 THR MG . . A . 17 THR H . . . 17 . HG2# . . . . . 17 . HN . . rr_1niz 2 90 1 . . 1 1 13 13 TYR HA H . . . 1 1 14 14 THR H H . . . . . 2.20 1.8 2.86 . . . . . A . 16 TYR HA . . A . 17 THR H . . . 16 . HA . . . . . 17 . HN . . rr_1niz 2 91 1 . . 1 1 3 3 ARG H H . . . 1 1 14 14 THR H H . . . . . 4.00 1.8 5.20 . . . . . A . 6 ARG H . . A . 17 THR H . . . 6 . HN . . . . . 17 . HN . . rr_1niz 2 92 1 OR . 1 1 15 15 THR H H . . . 1 1 2 2 LYS HG3 H . . . . . 3.82 1.8 4.97 . . . . . A . 18 THR H . . A . 5 LYS HG3 . . . 18 . HN . . . . . 5 . HG# . . rr_1niz 2 92 2 OR . 1 1 2 2 LYS HG2 H . . . 1 1 15 15 THR H H . . . . . 3.82 1.8 4.97 . . . . . A . 5 LYS HG2 . . A . 18 THR H . . . 5 . HG# . . . . . 18 . HN . . rr_1niz 2 93 1 OR . 1 1 15 15 THR H H . . . 1 1 2 2 LYS HD3 H . . . . . 4.39 1.8 5.71 . . . . . A . 18 THR H . . A . 5 LYS HD3 . . . 18 . HN . . . . . 5 . HD# . . rr_1niz 2 93 2 OR . 1 1 2 2 LYS HD2 H . . . 1 1 15 15 THR H H . . . . . 4.39 1.8 5.71 . . . . . A . 5 LYS HD2 . . A . 18 THR H . . . 5 . HD# . . . . . 18 . HN . . rr_1niz 2 94 1 . . 1 1 15 15 THR HA H . . . 1 1 15 15 THR H H . . . . . 2.45 1.8 3.18 . . . . . A . 18 THR HA . . A . 18 THR H . . . 18 . HA . . . . . 18 . HN . . rr_1niz 2 95 1 . . 1 1 13 13 TYR QE H . . . 1 1 15 15 THR H H . . . . . 4.99 1.8 6.49 . . . . . A . 16 TYR QE . . A . 18 THR H . . . 16 . HE# . . . . . 18 . HN . . rr_1niz 2 96 1 . . 1 1 13 13 TYR QD H . . . 1 1 15 15 THR H H . . . . . 5.02 1.8 6.53 . . . . . A . 16 TYR QD . . A . 18 THR H . . . 16 . HD# . . . . . 18 . HN . . rr_1niz 2 97 1 . . 1 1 15 15 THR MG H . . . 1 1 15 15 THR H H . . . . . 3.18 1.8 4.13 . . . . . A . 18 THR MG . . A . 18 THR H . . . 18 . HG2# . . . . . 18 . HN . . rr_1niz 2 98 1 OR . 1 1 15 15 THR H H . . . 1 1 2 2 LYS HE2 H . . . . . 3.77 1.8 4.90 . . . . . A . 18 THR H . . A . 5 LYS HE2 . . . 18 . HN . . . . . 5 . HE# . . rr_1niz 2 98 2 OR . 1 1 2 2 LYS HE3 H . . . 1 1 15 15 THR H H . . . . . 3.77 1.8 4.90 . . . . . A . 5 LYS HE3 . . A . 18 THR H . . . 5 . HE# . . . . . 18 . HN . . rr_1niz 2 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 '! 15N NOESY constraints' 1 1 1 25 rr_1niz 2 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID rr_1niz _Gen_dist_constraint_list.ID 3 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 4 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1niz 3 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 3 3 ARG H H . . . 1 1 14 14 THR O O . . . . . 2.05 1.8 2.3 . . . . . A . 6 ARG H . . A . 17 THR O . . . 6 . HN . . . . . 17 . O . . rr_1niz 3 2 1 . . 1 1 14 14 THR O O . . . 1 1 3 3 ARG N N . . . . . 2.90 2.5 3.3 . . . . . A . 17 THR O . . A . 6 ARG N . . . 17 . O . . . . . 6 . N . . rr_1niz 3 3 1 . . 1 1 14 14 THR H H . . . 1 1 3 3 ARG O O . . . . . 2.05 1.8 2.3 . . . . . A . 17 THR H . . A . 6 ARG O . . . 17 . HN . . . . . 6 . O . . rr_1niz 3 4 1 . . 1 1 3 3 ARG O O . . . 1 1 14 14 THR N N . . . . . 2.90 2.5 3.3 . . . . . A . 6 ARG O . . A . 17 THR N . . . 6 . O . . . . . 17 . N . . rr_1niz 3 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 !HBONDS 2 1 2 9 rr_1niz 3 stop_ save_ save_CNS/XPLOR_dihedral_5 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_5 _Torsion_angle_constraint_list.Entry_ID rr_1niz _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 5 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . rr_1niz 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 1 1 3 3 ARG C C . . 1 1 4 4 ILE N N . . 1 1 4 4 ILE CA C . . 1 1 4 4 ILE C C . -150.0 -90.0 . . . A . 6 ARG C . . A . 7 ILE N . . A . 7 ILE CA . . A . 7 ILE C . . . 6 . C . . . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . rr_1niz 1 2 . . 1 1 4 4 ILE C C . . 1 1 5 5 HIS N N . . 1 1 5 5 HIS CA C . . 1 1 5 5 HIS C C . -150.0 -90.0 . . . A . 7 ILE C . . A . 8 HIS N . . A . 8 HIS CA . . A . 8 HIS C . . . 7 . C . . . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . rr_1niz 1 3 . . 1 1 5 5 HIS C C . . 1 1 6 6 ILE N N . . 1 1 6 6 ILE CA C . . 1 1 6 6 ILE C C . -150.0 -90.0 . . . A . 8 HIS C . . A . 9 ILE N . . A . 9 ILE CA . . A . 9 ILE C . . . 8 . C . . . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . rr_1niz 1 4 . . 1 1 10 10 ARG C C . . 1 1 11 11 ALA N N . . 1 1 11 11 ALA CA C . . 1 1 11 11 ALA C C . -90.0 -40.0 . . . A . 13 ARG C . . A . 14 ALA N . . A . 14 ALA CA . . A . 14 ALA C . . . 13 . C . . . . . 14 . N . . . . . 14 . CA . . . . . 14 . C . . rr_1niz 1 5 . . 1 1 12 12 PHE C C . . 1 1 13 13 TYR N N . . 1 1 13 13 TYR CA C . . 1 1 13 13 TYR C C . -150.0 -90.0 . . . A . 15 PHE C . . A . 16 TYR N . . A . 16 TYR CA . . A . 16 TYR C . . . 15 . C . . . . . 16 . N . . . . . 16 . CA . . . . . 16 . C . . rr_1niz 1 6 . . 1 1 13 13 TYR C C . . 1 1 14 14 THR N N . . 1 1 14 14 THR CA C . . 1 1 14 14 THR C C . -150.0 -90.0 . . . A . 16 TYR C . . A . 17 THR N . . A . 17 THR CA . . A . 17 THR C . . . 16 . C . . . . . 17 . N . . . . . 17 . CA . . . . . 17 . C . . rr_1niz 1 7 . . 1 1 14 14 THR C C . . 1 1 15 15 THR N N . . 1 1 15 15 THR CA C . . 1 1 15 15 THR C C . -150.0 -90.0 . . . A . 17 THR C . . A . 18 THR N . . A . 18 THR CA . . A . 18 THR C . . . 17 . C . . . . . 18 . N . . . . . 18 . CA . . . . . 18 . C . . rr_1niz 1 8 . . 1 1 4 4 ILE N N . . 1 1 4 4 ILE CA C . . 1 1 4 4 ILE C C . . 1 1 5 5 HIS N N . 112.0 134.0 . . . A . 7 ILE N . . A . 7 ILE CA . . A . 7 ILE C . . A . 8 HIS N . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . . . . 8 . N . . rr_1niz 1 9 . . 1 1 5 5 HIS N N . . 1 1 5 5 HIS CA C . . 1 1 5 5 HIS C C . . 1 1 6 6 ILE N N . 114.0 128.0 . . . A . 8 HIS N . . A . 8 HIS CA . . A . 8 HIS C . . A . 9 ILE N . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . . . . 9 . N . . rr_1niz 1 10 . . 1 1 6 6 ILE N N . . 1 1 6 6 ILE CA C . . 1 1 6 6 ILE C C . . 1 1 7 7 GLY N N . 104.0 142.0 . . . A . 9 ILE N . . A . 9 ILE CA . . A . 9 ILE C . . A . 10 GLY N . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . . . . 10 . N . . rr_1niz 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 '! PHI' 2 1 2 7 rr_1niz 1 2 '!Psi according to TALOS' 18 1 18 25 rr_1niz 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_1niz _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 VIRUS/VIRAL PROTEIN 30-DEC-02 1NIZ *TITLE NMR STRUCTURE OF A V3 (MN ISOLATE) PEPTIDE BOUND TO 447-52D, *TITLE 2 A HUMAN HIV-1 NEUTRALIZING ANTIBODY *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: EXTERIOR MEMBRANE GLYCOPROTEIN(GP120); *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: V3 LOOP (RESIDUES 309-324); *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1; *SOURCE 3 ORGANISM_COMMON: MN ISOLATE; *SOURCE 4 GENE: ENV; *SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 6 EXPRESSION_SYSTEM_COMMON: BACTERIA; *SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS; *SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET11D *KEYWDS PEPTIDE-ANTIBODY COMPLEX, B-HAIRPIN *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR M.SHARON, N.KESSLER, R.LEVY, S.ZOLLA-PAZNER, M.GORLACH, *AUTHOR 2 J.ANGLISTER *REVDAT 1 25-FEB-03 1NIZ 0' save_