data_Remediated_restraints_file_for_PDB_entry_1kwj # This BMRB archive file contains, for PDB entry 1kwj: # # - 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_1kwj _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1kwj' _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 1kwj' _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 1kwj 'Master copy' rr_1kwj stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1kwj _Assembly.ID 1 _Assembly.Name 1kwj _Assembly.Number_of_components 4 _Assembly.Organic_ligands 3 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 8999.534 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 'cytochrome c7' 1 $cytochrome_c7 A . no . . . . . . rr_1kwj 1 2 'HEME C' 2 $HEME_C B . no . . . . . . rr_1kwj 1 3 'HEME C' 2 $HEME_C C . no . . . . . . rr_1kwj 1 4 'HEME C' 2 $HEME_C D . no . . . . . . rr_1kwj 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cytochrome_c7 _Entity.Sf_category entity _Entity.Sf_framecode cytochrome_c7 _Entity.Entry_ID rr_1kwj _Entity.ID 1 _Entity.Name cytochrome_c7 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ; ADVVTYENAAGNVTFDHKAH AEKLGCDACHEGTPAKIAID KKSAHKDACKTCHKSNNGPT KCGGCHIK ; _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 68 _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 7143.992 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 . ALA . rr_1kwj 1 2 . ASP . rr_1kwj 1 3 . VAL . rr_1kwj 1 4 . VAL . rr_1kwj 1 5 . THR . rr_1kwj 1 6 . TYR . rr_1kwj 1 7 . GLU . rr_1kwj 1 8 . ASN . rr_1kwj 1 9 . ALA . rr_1kwj 1 10 . ALA . rr_1kwj 1 11 . GLY . rr_1kwj 1 12 . ASN . rr_1kwj 1 13 . VAL . rr_1kwj 1 14 . THR . rr_1kwj 1 15 . PHE . rr_1kwj 1 16 . ASP . rr_1kwj 1 17 . HIS . rr_1kwj 1 18 . LYS . rr_1kwj 1 19 . ALA . rr_1kwj 1 20 . HIS . rr_1kwj 1 21 . ALA . rr_1kwj 1 22 . GLU . rr_1kwj 1 23 . LYS . rr_1kwj 1 24 . LEU . rr_1kwj 1 25 . GLY . rr_1kwj 1 26 . CYS . rr_1kwj 1 27 . ASP . rr_1kwj 1 28 . ALA . rr_1kwj 1 29 . CYS . rr_1kwj 1 30 . HIS . rr_1kwj 1 31 . GLU . rr_1kwj 1 32 . GLY . rr_1kwj 1 33 . THR . rr_1kwj 1 34 . PRO . rr_1kwj 1 35 . ALA . rr_1kwj 1 36 . LYS . rr_1kwj 1 37 . ILE . rr_1kwj 1 38 . ALA . rr_1kwj 1 39 . ILE . rr_1kwj 1 40 . ASP . rr_1kwj 1 41 . LYS . rr_1kwj 1 42 . LYS . rr_1kwj 1 43 . SER . rr_1kwj 1 44 . ALA . rr_1kwj 1 45 . HIS . rr_1kwj 1 46 . LYS . rr_1kwj 1 47 . ASP . rr_1kwj 1 48 . ALA . rr_1kwj 1 49 . CYS . rr_1kwj 1 50 . LYS . rr_1kwj 1 51 . THR . rr_1kwj 1 52 . CYS . rr_1kwj 1 53 . HIS . rr_1kwj 1 54 . LYS . rr_1kwj 1 55 . SER . rr_1kwj 1 56 . ASN . rr_1kwj 1 57 . ASN . rr_1kwj 1 58 . GLY . rr_1kwj 1 59 . PRO . rr_1kwj 1 60 . THR . rr_1kwj 1 61 . LYS . rr_1kwj 1 62 . CYS . rr_1kwj 1 63 . GLY . rr_1kwj 1 64 . GLY . rr_1kwj 1 65 . CYS . rr_1kwj 1 66 . HIS . rr_1kwj 1 67 . ILE . rr_1kwj 1 68 . LYS . rr_1kwj 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 . ALA 1 1 rr_1kwj 1 . ASP 2 2 rr_1kwj 1 . VAL 3 3 rr_1kwj 1 . VAL 4 4 rr_1kwj 1 . THR 5 5 rr_1kwj 1 . TYR 6 6 rr_1kwj 1 . GLU 7 7 rr_1kwj 1 . ASN 8 8 rr_1kwj 1 . ALA 9 9 rr_1kwj 1 . ALA 10 10 rr_1kwj 1 . GLY 11 11 rr_1kwj 1 . ASN 12 12 rr_1kwj 1 . VAL 13 13 rr_1kwj 1 . THR 14 14 rr_1kwj 1 . PHE 15 15 rr_1kwj 1 . ASP 16 16 rr_1kwj 1 . HIS 17 17 rr_1kwj 1 . LYS 18 18 rr_1kwj 1 . ALA 19 19 rr_1kwj 1 . HIS 20 20 rr_1kwj 1 . ALA 21 21 rr_1kwj 1 . GLU 22 22 rr_1kwj 1 . LYS 23 23 rr_1kwj 1 . LEU 24 24 rr_1kwj 1 . GLY 25 25 rr_1kwj 1 . CYS 26 26 rr_1kwj 1 . ASP 27 27 rr_1kwj 1 . ALA 28 28 rr_1kwj 1 . CYS 29 29 rr_1kwj 1 . HIS 30 30 rr_1kwj 1 . GLU 31 31 rr_1kwj 1 . GLY 32 32 rr_1kwj 1 . THR 33 33 rr_1kwj 1 . PRO 34 34 rr_1kwj 1 . ALA 35 35 rr_1kwj 1 . LYS 36 36 rr_1kwj 1 . ILE 37 37 rr_1kwj 1 . ALA 38 38 rr_1kwj 1 . ILE 39 39 rr_1kwj 1 . ASP 40 40 rr_1kwj 1 . LYS 41 41 rr_1kwj 1 . LYS 42 42 rr_1kwj 1 . SER 43 43 rr_1kwj 1 . ALA 44 44 rr_1kwj 1 . HIS 45 45 rr_1kwj 1 . LYS 46 46 rr_1kwj 1 . ASP 47 47 rr_1kwj 1 . ALA 48 48 rr_1kwj 1 . CYS 49 49 rr_1kwj 1 . LYS 50 50 rr_1kwj 1 . THR 51 51 rr_1kwj 1 . CYS 52 52 rr_1kwj 1 . HIS 53 53 rr_1kwj 1 . LYS 54 54 rr_1kwj 1 . SER 55 55 rr_1kwj 1 . ASN 56 56 rr_1kwj 1 . ASN 57 57 rr_1kwj 1 . GLY 58 58 rr_1kwj 1 . PRO 59 59 rr_1kwj 1 . THR 60 60 rr_1kwj 1 . LYS 61 61 rr_1kwj 1 . CYS 62 62 rr_1kwj 1 . GLY 63 63 rr_1kwj 1 . GLY 64 64 rr_1kwj 1 . CYS 65 65 rr_1kwj 1 . HIS 66 66 rr_1kwj 1 . ILE 67 67 rr_1kwj 1 . LYS 68 68 rr_1kwj 1 stop_ save_ save_HEME_C _Entity.Sf_category entity _Entity.Sf_framecode HEME_C _Entity.Entry_ID rr_1kwj _Entity.ID 2 _Entity.Name HEME_C _Entity.Type non-polymer _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_chirality yes _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID HEC _Entity.Number_of_monomers 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 2 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 . HEC . rr_1kwj 2 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_HEC _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HEC _Chem_comp.Entry_ID rr_1kwj _Chem_comp.ID HEC _Chem_comp.Name 'HEME C' _Chem_comp.Type non-polymer _Chem_comp.PDB_code HEC _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula 'C34 H34 Fe N4 O4' _Chem_comp.Formula_weight 618.514 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_1kwj _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_1kwj _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_1kwj 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_1kwj 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 ALA C C -9.902 -8.687 -1.430 . . . 1.0 . . . . . . . . . . . . A . 1 ALA C . . . . . . . . . rr_1kwj 1 . 1 . 2 . 1 1 1 ALA CA C -11.014 -8.340 -2.426 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CA . . . . . . . . . rr_1kwj 1 . 1 . 3 . 1 1 1 ALA CB C -12.303 -9.102 -2.107 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CB . . . . . . . . . rr_1kwj 1 . 1 . 4 . 1 1 1 ALA H1 H -10.567 -6.324 -2.883 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H1 . . . . . . . . . rr_1kwj 1 . 1 . 5 . 1 1 1 ALA H2 H -12.153 -6.609 -2.841 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H2 . . . . . . . . . rr_1kwj 1 . 1 . 6 . 1 1 1 ALA H3 H -11.295 -6.532 -1.464 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H3 . . . . . . . . . rr_1kwj 1 . 1 . 7 . 1 1 1 ALA HA H -10.685 -8.627 -3.426 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HA . . . . . . . . . rr_1kwj 1 . 1 . 8 . 1 1 1 ALA HB1 H -12.121 -10.177 -2.141 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB1 . . . . . . . . . rr_1kwj 1 . 1 . 9 . 1 1 1 ALA HB2 H -12.661 -8.832 -1.113 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB2 . . . . . . . . . rr_1kwj 1 . 1 . 10 . 1 1 1 ALA HB3 H -13.068 -8.851 -2.844 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB3 . . . . . . . . . rr_1kwj 1 . 1 . 11 . 1 1 1 ALA N N -11.264 -6.880 -2.412 . . . 1.0 . . . . . . . . . . . . A . 1 ALA N . . . . . . . . . rr_1kwj 1 . 1 . 12 . 1 1 1 ALA O O -9.573 -7.823 -0.623 . . . 1.0 . . . . . . . . . . . . A . 1 ALA O . . . . . . . . . rr_1kwj 1 . 1 . 13 . 1 1 2 ASP C C -6.865 -9.781 -1.415 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . rr_1kwj 1 . 1 . 14 . 1 1 2 ASP CA C -8.149 -10.274 -0.713 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . rr_1kwj 1 . 1 . 15 . 1 1 2 ASP CB C -8.204 -11.787 -0.448 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . rr_1kwj 1 . 1 . 16 . 1 1 2 ASP CG C -9.477 -12.161 0.296 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . rr_1kwj 1 . 1 . 17 . 1 1 2 ASP H H -9.752 -10.626 -2.043 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . rr_1kwj 1 . 1 . 18 . 1 1 2 ASP HA H -8.186 -9.780 0.260 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . rr_1kwj 1 . 1 . 19 . 1 1 2 ASP HB2 H -8.184 -12.340 -1.387 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . rr_1kwj 1 . 1 . 20 . 1 1 2 ASP HB3 H -7.363 -12.096 0.171 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . rr_1kwj 1 . 1 . 21 . 1 1 2 ASP N N -9.328 -9.895 -1.489 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . rr_1kwj 1 . 1 . 22 . 1 1 2 ASP O O -6.806 -8.632 -1.832 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . rr_1kwj 1 . 1 . 23 . 1 1 2 ASP OD1 O -10.502 -12.313 -0.402 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . rr_1kwj 1 . 1 . 24 . 1 1 2 ASP OD2 O -9.401 -12.269 1.540 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . rr_1kwj 1 . 1 . 25 . 1 1 3 VAL C C -4.698 -9.688 -3.593 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_1kwj 1 . 1 . 26 . 1 1 3 VAL CA C -4.545 -10.156 -2.129 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_1kwj 1 . 1 . 27 . 1 1 3 VAL CB C -3.485 -11.266 -1.992 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_1kwj 1 . 1 . 28 . 1 1 3 VAL CG1 C -2.122 -10.771 -2.493 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_1kwj 1 . 1 . 29 . 1 1 3 VAL CG2 C -3.321 -11.717 -0.532 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_1kwj 1 . 1 . 30 . 1 1 3 VAL H H -5.918 -11.560 -1.267 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_1kwj 1 . 1 . 31 . 1 1 3 VAL HA H -4.203 -9.309 -1.535 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_1kwj 1 . 1 . 32 . 1 1 3 VAL HB H -3.784 -12.130 -2.588 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_1kwj 1 . 1 . 33 . 1 1 3 VAL HG11 H -1.828 -9.883 -1.934 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_1kwj 1 . 1 . 34 . 1 1 3 VAL HG12 H -1.369 -11.546 -2.347 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_1kwj 1 . 1 . 35 . 1 1 3 VAL HG13 H -2.162 -10.531 -3.556 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_1kwj 1 . 1 . 36 . 1 1 3 VAL HG21 H -4.240 -12.167 -0.157 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_1kwj 1 . 1 . 37 . 1 1 3 VAL HG22 H -2.528 -12.463 -0.466 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_1kwj 1 . 1 . 38 . 1 1 3 VAL HG23 H -3.056 -10.868 0.098 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_1kwj 1 . 1 . 39 . 1 1 3 VAL N N -5.821 -10.602 -1.558 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_1kwj 1 . 1 . 40 . 1 1 3 VAL O O -5.020 -10.493 -4.464 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_1kwj 1 . 1 . 41 . 1 1 4 VAL C C -3.130 -7.405 -5.718 . . . 1.0 . . . . . . . . . . . . A . 4 VAL C . . . . . . . . . rr_1kwj 1 . 1 . 42 . 1 1 4 VAL CA C -4.528 -7.808 -5.218 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CA . . . . . . . . . rr_1kwj 1 . 1 . 43 . 1 1 4 VAL CB C -5.483 -6.596 -5.237 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CB . . . . . . . . . rr_1kwj 1 . 1 . 44 . 1 1 4 VAL CG1 C -5.576 -5.990 -6.644 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CG1 . . . . . . . . . rr_1kwj 1 . 1 . 45 . 1 1 4 VAL CG2 C -6.902 -6.976 -4.799 . . . 1.0 . . . . . . . . . . . . A . 4 VAL CG2 . . . . . . . . . rr_1kwj 1 . 1 . 46 . 1 1 4 VAL H H -4.170 -7.803 -3.096 . . . 1.0 . . . . . . . . . . . . A . 4 VAL H . . . . . . . . . rr_1kwj 1 . 1 . 47 . 1 1 4 VAL HA H -4.934 -8.539 -5.918 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HA . . . . . . . . . rr_1kwj 1 . 1 . 48 . 1 1 4 VAL HB H -5.113 -5.829 -4.557 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HB . . . . . . . . . rr_1kwj 1 . 1 . 49 . 1 1 4 VAL HG11 H -6.273 -5.151 -6.638 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG11 . . . . . . . . . rr_1kwj 1 . 1 . 50 . 1 1 4 VAL HG12 H -4.607 -5.619 -6.970 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG12 . . . . . . . . . rr_1kwj 1 . 1 . 51 . 1 1 4 VAL HG13 H -5.931 -6.739 -7.352 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG13 . . . . . . . . . rr_1kwj 1 . 1 . 52 . 1 1 4 VAL HG21 H -7.260 -7.833 -5.371 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG21 . . . . . . . . . rr_1kwj 1 . 1 . 53 . 1 1 4 VAL HG22 H -6.903 -7.219 -3.742 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG22 . . . . . . . . . rr_1kwj 1 . 1 . 54 . 1 1 4 VAL HG23 H -7.578 -6.135 -4.949 . . . 1.0 . . . . . . . . . . . . A . 4 VAL HG23 . . . . . . . . . rr_1kwj 1 . 1 . 55 . 1 1 4 VAL N N -4.454 -8.398 -3.870 . . . 1.0 . . . . . . . . . . . . A . 4 VAL N . . . . . . . . . rr_1kwj 1 . 1 . 56 . 1 1 4 VAL O O -2.451 -6.606 -5.082 . . . 1.0 . . . . . . . . . . . . A . 4 VAL O . . . . . . . . . rr_1kwj 1 . 1 . 57 . 1 1 5 THR C C -1.406 -6.738 -8.645 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_1kwj 1 . 1 . 58 . 1 1 5 THR CA C -1.363 -7.689 -7.433 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_1kwj 1 . 1 . 59 . 1 1 5 THR CB C -0.694 -9.051 -7.705 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_1kwj 1 . 1 . 60 . 1 1 5 THR CG2 C 0.431 -9.017 -8.728 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_1kwj 1 . 1 . 61 . 1 1 5 THR H H -3.312 -8.556 -7.367 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_1kwj 1 . 1 . 62 . 1 1 5 THR HA H -0.732 -7.196 -6.696 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_1kwj 1 . 1 . 63 . 1 1 5 THR HB H -1.442 -9.773 -8.042 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_1kwj 1 . 1 . 64 . 1 1 5 THR HG1 H 0.798 -9.137 -6.473 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_1kwj 1 . 1 . 65 . 1 1 5 THR HG21 H 0.024 -8.799 -9.711 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_1kwj 1 . 1 . 66 . 1 1 5 THR HG22 H 1.163 -8.270 -8.437 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_1kwj 1 . 1 . 67 . 1 1 5 THR HG23 H 0.914 -9.994 -8.775 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_1kwj 1 . 1 . 68 . 1 1 5 THR N N -2.699 -7.926 -6.871 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_1kwj 1 . 1 . 69 . 1 1 5 THR O O -1.958 -7.070 -9.689 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_1kwj 1 . 1 . 70 . 1 1 5 THR OG1 O -0.097 -9.501 -6.507 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_1kwj 1 . 1 . 71 . 1 1 6 TYR C C 0.371 -4.685 -10.515 . . . 1.0 . . . . . . . . . . . . A . 6 TYR C . . . . . . . . . rr_1kwj 1 . 1 . 72 . 1 1 6 TYR CA C -0.779 -4.486 -9.518 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CA . . . . . . . . . rr_1kwj 1 . 1 . 73 . 1 1 6 TYR CB C -0.658 -3.112 -8.844 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CB . . . . . . . . . rr_1kwj 1 . 1 . 74 . 1 1 6 TYR CD1 C -3.081 -3.031 -8.088 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CD1 . . . . . . . . . rr_1kwj 1 . 1 . 75 . 1 1 6 TYR CD2 C -2.029 -0.994 -8.903 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CD2 . . . . . . . . . rr_1kwj 1 . 1 . 76 . 1 1 6 TYR CE1 C -4.232 -2.295 -7.742 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CE1 . . . . . . . . . rr_1kwj 1 . 1 . 77 . 1 1 6 TYR CE2 C -3.186 -0.267 -8.585 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CE2 . . . . . . . . . rr_1kwj 1 . 1 . 78 . 1 1 6 TYR CG C -1.964 -2.372 -8.634 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CG . . . . . . . . . rr_1kwj 1 . 1 . 79 . 1 1 6 TYR CZ C -4.286 -0.914 -8.004 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CZ . . . . . . . . . rr_1kwj 1 . 1 . 80 . 1 1 6 TYR H H -0.456 -5.310 -7.585 . . . 1.0 . . . . . . . . . . . . A . 6 TYR H . . . . . . . . . rr_1kwj 1 . 1 . 81 . 1 1 6 TYR HA H -1.707 -4.494 -10.093 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HA . . . . . . . . . rr_1kwj 1 . 1 . 82 . 1 1 6 TYR HB2 H -0.181 -3.219 -7.874 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HB2 . . . . . . . . . rr_1kwj 1 . 1 . 83 . 1 1 6 TYR HB3 H 0.004 -2.492 -9.452 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HB3 . . . . . . . . . rr_1kwj 1 . 1 . 84 . 1 1 6 TYR HD1 H -3.045 -4.103 -7.939 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HD1 . . . . . . . . . rr_1kwj 1 . 1 . 85 . 1 1 6 TYR HD2 H -1.184 -0.484 -9.337 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HD2 . . . . . . . . . rr_1kwj 1 . 1 . 86 . 1 1 6 TYR HE1 H -5.032 -2.772 -7.194 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HE1 . . . . . . . . . rr_1kwj 1 . 1 . 87 . 1 1 6 TYR HE2 H -3.219 0.799 -8.749 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HE2 . . . . . . . . . rr_1kwj 1 . 1 . 88 . 1 1 6 TYR HH H -6.144 -0.680 -7.409 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HH . . . . . . . . . rr_1kwj 1 . 1 . 89 . 1 1 6 TYR N N -0.827 -5.537 -8.493 . . . 1.0 . . . . . . . . . . . . A . 6 TYR N . . . . . . . . . rr_1kwj 1 . 1 . 90 . 1 1 6 TYR O O 1.506 -4.266 -10.275 . . . 1.0 . . . . . . . . . . . . A . 6 TYR O . . . . . . . . . rr_1kwj 1 . 1 . 91 . 1 1 6 TYR OH O -5.342 -0.161 -7.600 . . . 1.0 . . . . . . . . . . . . A . 6 TYR OH . . . . . . . . . rr_1kwj 1 . 1 . 92 . 1 1 7 GLU C C 1.438 -4.485 -13.575 . . . 1.0 . . . . . . . . . . . . A . 7 GLU C . . . . . . . . . rr_1kwj 1 . 1 . 93 . 1 1 7 GLU CA C 1.058 -5.658 -12.662 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CA . . . . . . . . . rr_1kwj 1 . 1 . 94 . 1 1 7 GLU CB C 0.588 -6.934 -13.363 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CB . . . . . . . . . rr_1kwj 1 . 1 . 95 . 1 1 7 GLU CD C 0.588 -9.391 -12.631 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CD . . . . . . . . . rr_1kwj 1 . 1 . 96 . 1 1 7 GLU CG C 0.257 -7.956 -12.264 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CG . . . . . . . . . rr_1kwj 1 . 1 . 97 . 1 1 7 GLU H H -0.855 -5.693 -11.752 . . . 1.0 . . . . . . . . . . . . A . 7 GLU H . . . . . . . . . rr_1kwj 1 . 1 . 98 . 1 1 7 GLU HA H 1.981 -5.931 -12.157 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HA . . . . . . . . . rr_1kwj 1 . 1 . 99 . 1 1 7 GLU HB2 H -0.306 -6.755 -13.953 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HB2 . . . . . . . . . rr_1kwj 1 . 1 . 100 . 1 1 7 GLU HB3 H 1.383 -7.309 -14.011 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HB3 . . . . . . . . . rr_1kwj 1 . 1 . 101 . 1 1 7 GLU HG2 H 0.887 -7.730 -11.414 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HG2 . . . . . . . . . rr_1kwj 1 . 1 . 102 . 1 1 7 GLU HG3 H -0.785 -7.866 -11.945 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HG3 . . . . . . . . . rr_1kwj 1 . 1 . 103 . 1 1 7 GLU N N 0.069 -5.296 -11.656 . . . 1.0 . . . . . . . . . . . . A . 7 GLU N . . . . . . . . . rr_1kwj 1 . 1 . 104 . 1 1 7 GLU O O 0.914 -4.320 -14.674 . . . 1.0 . . . . . . . . . . . . A . 7 GLU O . . . . . . . . . rr_1kwj 1 . 1 . 105 . 1 1 7 GLU OE1 O -0.102 -9.939 -13.513 . . . 1.0 . . . . . . . . . . . . A . 7 GLU OE1 . . . . . . . . . rr_1kwj 1 . 1 . 106 . 1 1 7 GLU OE2 O 1.543 -9.899 -12.000 . . . 1.0 . . . . . . . . . . . . A . 7 GLU OE2 . . . . . . . . . rr_1kwj 1 . 1 . 107 . 1 1 8 ASN C C 4.356 -2.863 -14.305 . . . 1.0 . . . . . . . . . . . . A . 8 ASN C . . . . . . . . . rr_1kwj 1 . 1 . 108 . 1 1 8 ASN CA C 2.973 -2.521 -13.737 . . . 1.0 . . . . . . . . . . . . A . 8 ASN CA . . . . . . . . . rr_1kwj 1 . 1 . 109 . 1 1 8 ASN CB C 3.075 -1.381 -12.717 . . . 1.0 . . . . . . . . . . . . A . 8 ASN CB . . . . . . . . . rr_1kwj 1 . 1 . 110 . 1 1 8 ASN CG C 4.062 -1.716 -11.602 . . . 1.0 . . . . . . . . . . . . A . 8 ASN CG . . . . . . . . . rr_1kwj 1 . 1 . 111 . 1 1 8 ASN H H 2.778 -3.947 -12.188 . . . 1.0 . . . . . . . . . . . . A . 8 ASN H . . . . . . . . . rr_1kwj 1 . 1 . 112 . 1 1 8 ASN HA H 2.342 -2.188 -14.564 . . . 1.0 . . . . . . . . . . . . A . 8 ASN HA . . . . . . . . . rr_1kwj 1 . 1 . 113 . 1 1 8 ASN HB2 H 3.402 -0.475 -13.220 . . . 1.0 . . . . . . . . . . . . A . 8 ASN HB2 . . . . . . . . . rr_1kwj 1 . 1 . 114 . 1 1 8 ASN HB3 H 2.090 -1.180 -12.311 . . . 1.0 . . . . . . . . . . . . A . 8 ASN HB3 . . . . . . . . . rr_1kwj 1 . 1 . 115 . 1 1 8 ASN HD21 H 2.690 -2.818 -10.528 . . . 1.0 . . . . . . . . . . . . A . 8 ASN HD21 . . . . . . . . . rr_1kwj 1 . 1 . 116 . 1 1 8 ASN HD22 H 4.365 -2.811 -9.974 . . . 1.0 . . . . . . . . . . . . A . 8 ASN HD22 . . . . . . . . . rr_1kwj 1 . 1 . 117 . 1 1 8 ASN N N 2.381 -3.679 -13.078 . . . 1.0 . . . . . . . . . . . . A . 8 ASN N . . . . . . . . . rr_1kwj 1 . 1 . 118 . 1 1 8 ASN ND2 N 3.641 -2.465 -10.592 . . . 1.0 . . . . . . . . . . . . A . 8 ASN ND2 . . . . . . . . . rr_1kwj 1 . 1 . 119 . 1 1 8 ASN O O 4.928 -3.911 -14.002 . . . 1.0 . . . . . . . . . . . . A . 8 ASN O . . . . . . . . . rr_1kwj 1 . 1 . 120 . 1 1 8 ASN OD1 O 5.232 -1.355 -11.661 . . . 1.0 . . . . . . . . . . . . A . 8 ASN OD1 . . . . . . . . . rr_1kwj 1 . 1 . 121 . 1 1 9 ALA C C 7.384 -2.338 -14.848 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_1kwj 1 . 1 . 122 . 1 1 9 ALA CA C 6.183 -2.201 -15.792 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_1kwj 1 . 1 . 123 . 1 1 9 ALA CB C 6.429 -1.069 -16.786 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_1kwj 1 . 1 . 124 . 1 1 9 ALA H H 4.457 -1.051 -15.230 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_1kwj 1 . 1 . 125 . 1 1 9 ALA HA H 6.095 -3.130 -16.360 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_1kwj 1 . 1 . 126 . 1 1 9 ALA HB1 H 5.562 -0.959 -17.437 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_1kwj 1 . 1 . 127 . 1 1 9 ALA HB2 H 6.596 -0.141 -16.240 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_1kwj 1 . 1 . 128 . 1 1 9 ALA HB3 H 7.311 -1.299 -17.383 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_1kwj 1 . 1 . 129 . 1 1 9 ALA N N 4.922 -1.958 -15.100 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_1kwj 1 . 1 . 130 . 1 1 9 ALA O O 8.361 -3.002 -15.186 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_1kwj 1 . 1 . 131 . 1 1 10 ALA C C 8.578 -2.687 -11.737 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_1kwj 1 . 1 . 132 . 1 1 10 ALA CA C 8.494 -1.576 -12.792 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_1kwj 1 . 1 . 133 . 1 1 10 ALA CB C 8.454 -0.192 -12.140 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_1kwj 1 . 1 . 134 . 1 1 10 ALA H H 6.468 -1.259 -13.388 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_1kwj 1 . 1 . 135 . 1 1 10 ALA HA H 9.412 -1.623 -13.379 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_1kwj 1 . 1 . 136 . 1 1 10 ALA HB1 H 9.360 -0.021 -11.558 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_1kwj 1 . 1 . 137 . 1 1 10 ALA HB2 H 8.388 0.560 -12.924 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_1kwj 1 . 1 . 138 . 1 1 10 ALA HB3 H 7.586 -0.108 -11.485 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_1kwj 1 . 1 . 139 . 1 1 10 ALA N N 7.337 -1.697 -13.675 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_1kwj 1 . 1 . 140 . 1 1 10 ALA O O 9.299 -2.527 -10.755 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_1kwj 1 . 1 . 141 . 1 1 11 GLY C C 6.355 -4.810 -10.257 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_1kwj 1 . 1 . 142 . 1 1 11 GLY CA C 7.732 -4.851 -10.906 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_1kwj 1 . 1 . 143 . 1 1 11 GLY H H 7.262 -3.838 -12.744 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_1kwj 1 . 1 . 144 . 1 1 11 GLY HA2 H 7.910 -5.841 -11.315 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_1kwj 1 . 1 . 145 . 1 1 11 GLY HA3 H 8.464 -4.714 -10.116 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_1kwj 1 . 1 . 146 . 1 1 11 GLY N N 7.851 -3.797 -11.919 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_1kwj 1 . 1 . 147 . 1 1 11 GLY O O 5.935 -3.759 -9.772 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_1kwj 1 . 1 . 148 . 1 1 12 ASN C C 4.567 -5.830 -8.003 . . . 1.0 . . . . . . . . . . . . A . 12 ASN C . . . . . . . . . rr_1kwj 1 . 1 . 149 . 1 1 12 ASN CA C 4.360 -5.968 -9.521 . . . 1.0 . . . . . . . . . . . . A . 12 ASN CA . . . . . . . . . rr_1kwj 1 . 1 . 150 . 1 1 12 ASN CB C 3.490 -7.150 -9.973 . . . 1.0 . . . . . . . . . . . . A . 12 ASN CB . . . . . . . . . rr_1kwj 1 . 1 . 151 . 1 1 12 ASN CG C 4.054 -8.525 -9.631 . . . 1.0 . . . . . . . . . . . . A . 12 ASN CG . . . . . . . . . rr_1kwj 1 . 1 . 152 . 1 1 12 ASN H H 6.083 -6.802 -10.475 . . . 1.0 . . . . . . . . . . . . A . 12 ASN H . . . . . . . . . rr_1kwj 1 . 1 . 153 . 1 1 12 ASN HA H 3.811 -5.082 -9.832 . . . 1.0 . . . . . . . . . . . . A . 12 ASN HA . . . . . . . . . rr_1kwj 1 . 1 . 154 . 1 1 12 ASN HB2 H 2.498 -7.008 -9.547 . . . 1.0 . . . . . . . . . . . . A . 12 ASN HB2 . . . . . . . . . rr_1kwj 1 . 1 . 155 . 1 1 12 ASN HB3 H 3.392 -7.115 -11.052 . . . 1.0 . . . . . . . . . . . . A . 12 ASN HB3 . . . . . . . . . rr_1kwj 1 . 1 . 156 . 1 1 12 ASN HD21 H 2.713 -9.550 -10.849 . . . 1.0 . . . . . . . . . . . . A . 12 ASN HD21 . . . . . . . . . rr_1kwj 1 . 1 . 157 . 1 1 12 ASN HD22 H 3.892 -10.487 -9.952 . . . 1.0 . . . . . . . . . . . . A . 12 ASN HD22 . . . . . . . . . rr_1kwj 1 . 1 . 158 . 1 1 12 ASN N N 5.641 -5.935 -10.216 . . . 1.0 . . . . . . . . . . . . A . 12 ASN N . . . . . . . . . rr_1kwj 1 . 1 . 159 . 1 1 12 ASN ND2 N 3.490 -9.594 -10.174 . . . 1.0 . . . . . . . . . . . . A . 12 ASN ND2 . . . . . . . . . rr_1kwj 1 . 1 . 160 . 1 1 12 ASN O O 5.689 -5.961 -7.514 . . . 1.0 . . . . . . . . . . . . A . 12 ASN O . . . . . . . . . rr_1kwj 1 . 1 . 161 . 1 1 12 ASN OD1 O 5.022 -8.641 -8.897 . . . 1.0 . . . . . . . . . . . . A . 12 ASN OD1 . . . . . . . . . rr_1kwj 1 . 1 . 162 . 1 1 13 VAL C C 2.852 -5.366 -4.833 . . . 1.0 . . . . . . . . . . . . A . 13 VAL C . . . . . . . . . rr_1kwj 1 . 1 . 163 . 1 1 13 VAL CA C 3.650 -4.753 -5.998 . . . 1.0 . . . . . . . . . . . . A . 13 VAL CA . . . . . . . . . rr_1kwj 1 . 1 . 164 . 1 1 13 VAL CB C 3.436 -3.242 -6.195 . . . 1.0 . . . . . . . . . . . . A . 13 VAL CB . . . . . . . . . rr_1kwj 1 . 1 . 165 . 1 1 13 VAL CG1 C 2.127 -2.940 -6.916 . . . 1.0 . . . . . . . . . . . . A . 13 VAL CG1 . . . . . . . . . rr_1kwj 1 . 1 . 166 . 1 1 13 VAL CG2 C 3.445 -2.487 -4.866 . . . 1.0 . . . . . . . . . . . . A . 13 VAL CG2 . . . . . . . . . rr_1kwj 1 . 1 . 167 . 1 1 13 VAL H H 2.641 -5.329 -7.791 . . . 1.0 . . . . . . . . . . . . A . 13 VAL H . . . . . . . . . rr_1kwj 1 . 1 . 168 . 1 1 13 VAL HA H 4.677 -4.834 -5.668 . . . 1.0 . . . . . . . . . . . . A . 13 VAL HA . . . . . . . . . rr_1kwj 1 . 1 . 169 . 1 1 13 VAL HB H 4.257 -2.864 -6.808 . . . 1.0 . . . . . . . . . . . . A . 13 VAL HB . . . . . . . . . rr_1kwj 1 . 1 . 170 . 1 1 13 VAL HG11 H 1.304 -3.331 -6.318 . . . 1.0 . . . . . . . . . . . . A . 13 VAL HG11 . . . . . . . . . rr_1kwj 1 . 1 . 171 . 1 1 13 VAL HG12 H 2.013 -1.867 -7.049 . . . 1.0 . . . . . . . . . . . . A . 13 VAL HG12 . . . . . . . . . rr_1kwj 1 . 1 . 172 . 1 1 13 VAL HG13 H 2.123 -3.389 -7.906 . . . 1.0 . . . . . . . . . . . . A . 13 VAL HG13 . . . . . . . . . rr_1kwj 1 . 1 . 173 . 1 1 13 VAL HG21 H 4.281 -2.821 -4.255 . . . 1.0 . . . . . . . . . . . . A . 13 VAL HG21 . . . . . . . . . rr_1kwj 1 . 1 . 174 . 1 1 13 VAL HG22 H 3.543 -1.420 -5.055 . . . 1.0 . . . . . . . . . . . . A . 13 VAL HG22 . . . . . . . . . rr_1kwj 1 . 1 . 175 . 1 1 13 VAL HG23 H 2.512 -2.670 -4.336 . . . 1.0 . . . . . . . . . . . . A . 13 VAL HG23 . . . . . . . . . rr_1kwj 1 . 1 . 176 . 1 1 13 VAL N N 3.508 -5.436 -7.289 . . . 1.0 . . . . . . . . . . . . A . 13 VAL N . . . . . . . . . rr_1kwj 1 . 1 . 177 . 1 1 13 VAL O O 3.261 -5.226 -3.684 . . . 1.0 . . . . . . . . . . . . A . 13 VAL O . . . . . . . . . rr_1kwj 1 . 1 . 178 . 1 1 14 THR C C 0.451 -6.044 -2.938 . . . 1.0 . . . . . . . . . . . . A . 14 THR C . . . . . . . . . rr_1kwj 1 . 1 . 179 . 1 1 14 THR CA C 1.026 -6.863 -4.106 . . . 1.0 . . . . . . . . . . . . A . 14 THR CA . . . . . . . . . rr_1kwj 1 . 1 . 180 . 1 1 14 THR CB C 1.874 -8.077 -3.688 . . . 1.0 . . . . . . . . . . . . A . 14 THR CB . . . . . . . . . rr_1kwj 1 . 1 . 181 . 1 1 14 THR CG2 C 1.279 -8.855 -2.515 . . . 1.0 . . . . . . . . . . . . A . 14 THR CG2 . . . . . . . . . rr_1kwj 1 . 1 . 182 . 1 1 14 THR H H 1.461 -6.158 -6.063 . . . 1.0 . . . . . . . . . . . . A . 14 THR H . . . . . . . . . rr_1kwj 1 . 1 . 183 . 1 1 14 THR HA H 0.161 -7.295 -4.609 . . . 1.0 . . . . . . . . . . . . A . 14 THR HA . . . . . . . . . rr_1kwj 1 . 1 . 184 . 1 1 14 THR HB H 2.886 -7.765 -3.421 . . . 1.0 . . . . . . . . . . . . A . 14 THR HB . . . . . . . . . rr_1kwj 1 . 1 . 185 . 1 1 14 THR HG1 H 1.127 -9.510 -4.768 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG1 . . . . . . . . . rr_1kwj 1 . 1 . 186 . 1 1 14 THR HG21 H 1.374 -8.277 -1.596 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG21 . . . . . . . . . rr_1kwj 1 . 1 . 187 . 1 1 14 THR HG22 H 0.229 -9.074 -2.697 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG22 . . . . . . . . . rr_1kwj 1 . 1 . 188 . 1 1 14 THR HG23 H 1.825 -9.789 -2.380 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG23 . . . . . . . . . rr_1kwj 1 . 1 . 189 . 1 1 14 THR N N 1.738 -6.057 -5.104 . . . 1.0 . . . . . . . . . . . . A . 14 THR N . . . . . . . . . rr_1kwj 1 . 1 . 190 . 1 1 14 THR O O 1.092 -5.786 -1.923 . . . 1.0 . . . . . . . . . . . . A . 14 THR O . . . . . . . . . rr_1kwj 1 . 1 . 191 . 1 1 14 THR OG1 O 1.922 -8.963 -4.791 . . . 1.0 . . . . . . . . . . . . A . 14 THR OG1 . . . . . . . . . rr_1kwj 1 . 1 . 192 . 1 1 15 PHE C C -2.258 -6.276 -1.255 . . . 1.0 . . . . . . . . . . . . A . 15 PHE C . . . . . . . . . rr_1kwj 1 . 1 . 193 . 1 1 15 PHE CA C -1.664 -5.101 -2.049 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CA . . . . . . . . . rr_1kwj 1 . 1 . 194 . 1 1 15 PHE CB C -2.820 -4.305 -2.692 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CB . . . . . . . . . rr_1kwj 1 . 1 . 195 . 1 1 15 PHE CD1 C -1.264 -2.748 -4.010 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CD1 . . . . . . . . . rr_1kwj 1 . 1 . 196 . 1 1 15 PHE CD2 C -3.634 -2.234 -3.840 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CD2 . . . . . . . . . rr_1kwj 1 . 1 . 197 . 1 1 15 PHE CE1 C -1.109 -1.707 -4.938 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CE1 . . . . . . . . . rr_1kwj 1 . 1 . 198 . 1 1 15 PHE CE2 C -3.469 -1.163 -4.733 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CE2 . . . . . . . . . rr_1kwj 1 . 1 . 199 . 1 1 15 PHE CG C -2.535 -3.036 -3.475 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CG . . . . . . . . . rr_1kwj 1 . 1 . 200 . 1 1 15 PHE CZ C -2.208 -0.911 -5.295 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CZ . . . . . . . . . rr_1kwj 1 . 1 . 201 . 1 1 15 PHE H H -1.256 -5.880 -3.976 . . . 1.0 . . . . . . . . . . . . A . 15 PHE H . . . . . . . . . rr_1kwj 1 . 1 . 202 . 1 1 15 PHE HA H -1.100 -4.447 -1.381 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HA . . . . . . . . . rr_1kwj 1 . 1 . 203 . 1 1 15 PHE HB2 H -3.346 -4.970 -3.376 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HB2 . . . . . . . . . rr_1kwj 1 . 1 . 204 . 1 1 15 PHE HB3 H -3.528 -4.036 -1.909 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HB3 . . . . . . . . . rr_1kwj 1 . 1 . 205 . 1 1 15 PHE HD1 H -0.401 -3.340 -3.759 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HD1 . . . . . . . . . rr_1kwj 1 . 1 . 206 . 1 1 15 PHE HD2 H -4.629 -2.491 -3.504 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HD2 . . . . . . . . . rr_1kwj 1 . 1 . 207 . 1 1 15 PHE HE1 H -0.160 -1.559 -5.424 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HE1 . . . . . . . . . rr_1kwj 1 . 1 . 208 . 1 1 15 PHE HE2 H -4.331 -0.606 -5.073 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HE2 . . . . . . . . . rr_1kwj 1 . 1 . 209 . 1 1 15 PHE HZ H -2.100 -0.154 -6.057 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HZ . . . . . . . . . rr_1kwj 1 . 1 . 210 . 1 1 15 PHE N N -0.813 -5.652 -3.095 . . . 1.0 . . . . . . . . . . . . A . 15 PHE N . . . . . . . . . rr_1kwj 1 . 1 . 211 . 1 1 15 PHE O O -3.236 -6.880 -1.710 . . . 1.0 . . . . . . . . . . . . A . 15 PHE O . . . . . . . . . rr_1kwj 1 . 1 . 212 . 1 1 16 ASP C C -3.487 -7.170 1.481 . . . 1.0 . . . . . . . . . . . . A . 16 ASP C . . . . . . . . . rr_1kwj 1 . 1 . 213 . 1 1 16 ASP CA C -2.265 -7.696 0.732 . . . 1.0 . . . . . . . . . . . . A . 16 ASP CA . . . . . . . . . rr_1kwj 1 . 1 . 214 . 1 1 16 ASP CB C -1.210 -8.309 1.666 . . . 1.0 . . . . . . . . . . . . A . 16 ASP CB . . . . . . . . . rr_1kwj 1 . 1 . 215 . 1 1 16 ASP CG C 0.206 -8.094 1.197 . . . 1.0 . . . . . . . . . . . . A . 16 ASP CG . . . . . . . . . rr_1kwj 1 . 1 . 216 . 1 1 16 ASP H H -0.924 -6.112 0.317 . . . 1.0 . . . . . . . . . . . . A . 16 ASP H . . . . . . . . . rr_1kwj 1 . 1 . 217 . 1 1 16 ASP HA H -2.584 -8.500 0.069 . . . 1.0 . . . . . . . . . . . . A . 16 ASP HA . . . . . . . . . rr_1kwj 1 . 1 . 218 . 1 1 16 ASP HB2 H -1.255 -7.860 2.651 . . . 1.0 . . . . . . . . . . . . A . 16 ASP HB2 . . . . . . . . . rr_1kwj 1 . 1 . 219 . 1 1 16 ASP HB3 H -1.390 -9.380 1.757 . . . 1.0 . . . . . . . . . . . . A . 16 ASP HB3 . . . . . . . . . rr_1kwj 1 . 1 . 220 . 1 1 16 ASP N N -1.724 -6.606 -0.072 . . . 1.0 . . . . . . . . . . . . A . 16 ASP N . . . . . . . . . rr_1kwj 1 . 1 . 221 . 1 1 16 ASP O O -3.476 -6.995 2.697 . . . 1.0 . . . . . . . . . . . . A . 16 ASP O . . . . . . . . . rr_1kwj 1 . 1 . 222 . 1 1 16 ASP OD1 O 0.617 -6.923 1.337 . . . 1.0 . . . . . . . . . . . . A . 16 ASP OD1 . . . . . . . . . rr_1kwj 1 . 1 . 223 . 1 1 16 ASP OD2 O 0.822 -9.075 0.737 . . . 1.0 . . . . . . . . . . . . A . 16 ASP OD2 . . . . . . . . . rr_1kwj 1 . 1 . 224 . 1 1 17 HIS C C -6.242 -6.998 2.486 . . . 1.0 . . . . . . . . . . . . A . 17 HIS C . . . . . . . . . rr_1kwj 1 . 1 . 225 . 1 1 17 HIS CA C -5.780 -6.293 1.210 . . . 1.0 . . . . . . . . . . . . A . 17 HIS CA . . . . . . . . . rr_1kwj 1 . 1 . 226 . 1 1 17 HIS CB C -6.816 -6.433 0.096 . . . 1.0 . . . . . . . . . . . . A . 17 HIS CB . . . . . . . . . rr_1kwj 1 . 1 . 227 . 1 1 17 HIS CD2 C -8.121 -4.402 0.936 . . . 1.0 . . . . . . . . . . . . A . 17 HIS CD2 . . . . . . . . . rr_1kwj 1 . 1 . 228 . 1 1 17 HIS CE1 C -8.945 -3.706 -0.959 . . . 1.0 . . . . . . . . . . . . A . 17 HIS CE1 . . . . . . . . . rr_1kwj 1 . 1 . 229 . 1 1 17 HIS CG C -7.787 -5.301 -0.032 . . . 1.0 . . . . . . . . . . . . A . 17 HIS CG . . . . . . . . . rr_1kwj 1 . 1 . 230 . 1 1 17 HIS H H -4.454 -7.078 -0.268 . . . 1.0 . . . . . . . . . . . . A . 17 HIS H . . . . . . . . . rr_1kwj 1 . 1 . 231 . 1 1 17 HIS HA H -5.575 -5.242 1.419 . . . 1.0 . . . . . . . . . . . . A . 17 HIS HA . . . . . . . . . rr_1kwj 1 . 1 . 232 . 1 1 17 HIS HB2 H -6.293 -6.473 -0.858 . . . 1.0 . . . . . . . . . . . . A . 17 HIS HB2 . . . . . . . . . rr_1kwj 1 . 1 . 233 . 1 1 17 HIS HB3 H -7.363 -7.361 0.236 . . . 1.0 . . . . . . . . . . . . A . 17 HIS HB3 . . . . . . . . . rr_1kwj 1 . 1 . 234 . 1 1 17 HIS HD1 H -8.195 -5.295 -2.118 . . . 1.0 . . . . . . . . . . . . A . 17 HIS HD1 . . . . . . . . . rr_1kwj 1 . 1 . 235 . 1 1 17 HIS HD2 H -7.810 -4.477 1.961 . . . 1.0 . . . . . . . . . . . . A . 17 HIS HD2 . . . . . . . . . rr_1kwj 1 . 1 . 236 . 1 1 17 HIS HE1 H -9.421 -3.142 -1.738 . . . 1.0 . . . . . . . . . . . . A . 17 HIS HE1 . . . . . . . . . rr_1kwj 1 . 1 . 237 . 1 1 17 HIS N N -4.547 -6.893 0.724 . . . 1.0 . . . . . . . . . . . . A . 17 HIS N . . . . . . . . . rr_1kwj 1 . 1 . 238 . 1 1 17 HIS ND1 N -8.318 -4.862 -1.215 . . . 1.0 . . . . . . . . . . . . A . 17 HIS ND1 . . . . . . . . . rr_1kwj 1 . 1 . 239 . 1 1 17 HIS NE2 N -8.827 -3.355 0.337 . . . 1.0 . . . . . . . . . . . . A . 17 HIS NE2 . . . . . . . . . rr_1kwj 1 . 1 . 240 . 1 1 17 HIS O O -6.594 -6.365 3.479 . . . 1.0 . . . . . . . . . . . . A . 17 HIS O . . . . . . . . . rr_1kwj 1 . 1 . 241 . 1 1 18 LYS C C -5.039 -9.019 4.564 . . . 1.0 . . . . . . . . . . . . A . 18 LYS C . . . . . . . . . rr_1kwj 1 . 1 . 242 . 1 1 18 LYS CA C -6.224 -9.198 3.599 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CA . . . . . . . . . rr_1kwj 1 . 1 . 243 . 1 1 18 LYS CB C -6.369 -10.648 3.122 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CB . . . . . . . . . rr_1kwj 1 . 1 . 244 . 1 1 18 LYS CD C -7.054 -12.965 3.882 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CD . . . . . . . . . rr_1kwj 1 . 1 . 245 . 1 1 18 LYS CE C -7.726 -13.798 4.982 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CE . . . . . . . . . rr_1kwj 1 . 1 . 246 . 1 1 18 LYS CG C -6.895 -11.493 4.284 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CG . . . . . . . . . rr_1kwj 1 . 1 . 247 . 1 1 18 LYS H H -5.875 -8.727 1.555 . . . 1.0 . . . . . . . . . . . . A . 18 LYS H . . . . . . . . . rr_1kwj 1 . 1 . 248 . 1 1 18 LYS HA H -7.133 -8.922 4.136 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HA . . . . . . . . . rr_1kwj 1 . 1 . 249 . 1 1 18 LYS HB2 H -7.088 -10.670 2.301 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HB2 . . . . . . . . . rr_1kwj 1 . 1 . 250 . 1 1 18 LYS HB3 H -5.421 -11.044 2.757 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HB3 . . . . . . . . . rr_1kwj 1 . 1 . 251 . 1 1 18 LYS HD2 H -7.646 -13.027 2.968 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HD2 . . . . . . . . . rr_1kwj 1 . 1 . 252 . 1 1 18 LYS HD3 H -6.069 -13.386 3.667 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HD3 . . . . . . . . . rr_1kwj 1 . 1 . 253 . 1 1 18 LYS HE2 H -8.010 -14.766 4.561 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HE2 . . . . . . . . . rr_1kwj 1 . 1 . 254 . 1 1 18 LYS HE3 H -7.016 -13.968 5.797 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HE3 . . . . . . . . . rr_1kwj 1 . 1 . 255 . 1 1 18 LYS HG2 H -6.217 -11.433 5.135 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HG2 . . . . . . . . . rr_1kwj 1 . 1 . 256 . 1 1 18 LYS HG3 H -7.853 -11.057 4.567 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HG3 . . . . . . . . . rr_1kwj 1 . 1 . 257 . 1 1 18 LYS HZ1 H -9.465 -12.715 4.788 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HZ1 . . . . . . . . . rr_1kwj 1 . 1 . 258 . 1 1 18 LYS HZ2 H -9.475 -13.743 6.090 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HZ2 . . . . . . . . . rr_1kwj 1 . 1 . 259 . 1 1 18 LYS HZ3 H -8.579 -12.376 6.158 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HZ3 . . . . . . . . . rr_1kwj 1 . 1 . 260 . 1 1 18 LYS N N -6.140 -8.329 2.443 . . . 1.0 . . . . . . . . . . . . A . 18 LYS N . . . . . . . . . rr_1kwj 1 . 1 . 261 . 1 1 18 LYS NZ N -8.914 -13.117 5.535 . . . 1.0 . . . . . . . . . . . . A . 18 LYS NZ . . . . . . . . . rr_1kwj 1 . 1 . 262 . 1 1 18 LYS O O -5.214 -8.450 5.633 . . . 1.0 . . . . . . . . . . . . A . 18 LYS O . . . . . . . . . rr_1kwj 1 . 1 . 263 . 1 1 19 ALA C C -2.388 -8.417 5.963 . . . 1.0 . . . . . . . . . . . . A . 19 ALA C . . . . . . . . . rr_1kwj 1 . 1 . 264 . 1 1 19 ALA CA C -2.767 -9.707 5.227 . . . 1.0 . . . . . . . . . . . . A . 19 ALA CA . . . . . . . . . rr_1kwj 1 . 1 . 265 . 1 1 19 ALA CB C -1.533 -10.324 4.569 . . . 1.0 . . . . . . . . . . . . A . 19 ALA CB . . . . . . . . . rr_1kwj 1 . 1 . 266 . 1 1 19 ALA H H -3.694 -9.878 3.313 . . . 1.0 . . . . . . . . . . . . A . 19 ALA H . . . . . . . . . rr_1kwj 1 . 1 . 267 . 1 1 19 ALA HA H -3.126 -10.418 5.972 . . . 1.0 . . . . . . . . . . . . A . 19 ALA HA . . . . . . . . . rr_1kwj 1 . 1 . 268 . 1 1 19 ALA HB1 H -0.982 -9.558 4.029 . . . 1.0 . . . . . . . . . . . . A . 19 ALA HB1 . . . . . . . . . rr_1kwj 1 . 1 . 269 . 1 1 19 ALA HB2 H -0.880 -10.724 5.344 . . . 1.0 . . . . . . . . . . . . A . 19 ALA HB2 . . . . . . . . . rr_1kwj 1 . 1 . 270 . 1 1 19 ALA HB3 H -1.820 -11.128 3.891 . . . 1.0 . . . . . . . . . . . . A . 19 ALA HB3 . . . . . . . . . rr_1kwj 1 . 1 . 271 . 1 1 19 ALA N N -3.842 -9.529 4.244 . . . 1.0 . . . . . . . . . . . . A . 19 ALA N . . . . . . . . . rr_1kwj 1 . 1 . 272 . 1 1 19 ALA O O -2.175 -8.435 7.175 . . . 1.0 . . . . . . . . . . . . A . 19 ALA O . . . . . . . . . rr_1kwj 1 . 1 . 273 . 1 1 20 HIS C C -3.355 -5.785 6.897 . . . 1.0 . . . . . . . . . . . . A . 20 HIS C . . . . . . . . . rr_1kwj 1 . 1 . 274 . 1 1 20 HIS CA C -2.211 -5.988 5.884 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CA . . . . . . . . . rr_1kwj 1 . 1 . 275 . 1 1 20 HIS CB C -2.146 -4.857 4.841 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CB . . . . . . . . . rr_1kwj 1 . 1 . 276 . 1 1 20 HIS CD2 C -0.064 -3.374 4.485 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CD2 . . . . . . . . . rr_1kwj 1 . 1 . 277 . 1 1 20 HIS CE1 C 1.043 -4.593 3.062 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CE1 . . . . . . . . . rr_1kwj 1 . 1 . 278 . 1 1 20 HIS CG C -0.773 -4.537 4.284 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CG . . . . . . . . . rr_1kwj 1 . 1 . 279 . 1 1 20 HIS H H -2.591 -7.325 4.264 . . . 1.0 . . . . . . . . . . . . A . 20 HIS H . . . . . . . . . rr_1kwj 1 . 1 . 280 . 1 1 20 HIS HA H -1.276 -5.989 6.443 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HA . . . . . . . . . rr_1kwj 1 . 1 . 281 . 1 1 20 HIS HB2 H -2.830 -5.055 4.019 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB2 . . . . . . . . . rr_1kwj 1 . 1 . 282 . 1 1 20 HIS HB3 H -2.499 -3.958 5.330 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB3 . . . . . . . . . rr_1kwj 1 . 1 . 283 . 1 1 20 HIS HD1 H -0.288 -6.163 2.916 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD1 . . . . . . . . . rr_1kwj 1 . 1 . 284 . 1 1 20 HIS HD2 H -0.375 -2.556 5.114 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD2 . . . . . . . . . rr_1kwj 1 . 1 . 285 . 1 1 20 HIS HE1 H 1.764 -4.972 2.358 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HE1 . . . . . . . . . rr_1kwj 1 . 1 . 286 . 1 1 20 HIS N N -2.341 -7.289 5.246 . . . 1.0 . . . . . . . . . . . . A . 20 HIS N . . . . . . . . . rr_1kwj 1 . 1 . 287 . 1 1 20 HIS ND1 N -0.062 -5.282 3.371 . . . 1.0 . . . . . . . . . . . . A . 20 HIS ND1 . . . . . . . . . rr_1kwj 1 . 1 . 288 . 1 1 20 HIS NE2 N 1.102 -3.416 3.703 . . . 1.0 . . . . . . . . . . . . A . 20 HIS NE2 . . . . . . . . . rr_1kwj 1 . 1 . 289 . 1 1 20 HIS O O -3.099 -5.526 8.068 . . . 1.0 . . . . . . . . . . . . A . 20 HIS O . . . . . . . . . rr_1kwj 1 . 1 . 290 . 1 1 21 ALA C C -5.749 -6.799 8.574 . . . 1.0 . . . . . . . . . . . . A . 21 ALA C . . . . . . . . . rr_1kwj 1 . 1 . 291 . 1 1 21 ALA CA C -5.777 -5.843 7.374 . . . 1.0 . . . . . . . . . . . . A . 21 ALA CA . . . . . . . . . rr_1kwj 1 . 1 . 292 . 1 1 21 ALA CB C -7.069 -6.054 6.593 . . . 1.0 . . . . . . . . . . . . A . 21 ALA CB . . . . . . . . . rr_1kwj 1 . 1 . 293 . 1 1 21 ALA H H -4.774 -6.330 5.560 . . . 1.0 . . . . . . . . . . . . A . 21 ALA H . . . . . . . . . rr_1kwj 1 . 1 . 294 . 1 1 21 ALA HA H -5.797 -4.826 7.768 . . . 1.0 . . . . . . . . . . . . A . 21 ALA HA . . . . . . . . . rr_1kwj 1 . 1 . 295 . 1 1 21 ALA HB1 H -7.907 -5.863 7.263 . . . 1.0 . . . . . . . . . . . . A . 21 ALA HB1 . . . . . . . . . rr_1kwj 1 . 1 . 296 . 1 1 21 ALA HB2 H -7.100 -5.369 5.752 . . . 1.0 . . . . . . . . . . . . A . 21 ALA HB2 . . . . . . . . . rr_1kwj 1 . 1 . 297 . 1 1 21 ALA HB3 H -7.151 -7.075 6.226 . . . 1.0 . . . . . . . . . . . . A . 21 ALA HB3 . . . . . . . . . rr_1kwj 1 . 1 . 298 . 1 1 21 ALA N N -4.617 -5.949 6.486 . . . 1.0 . . . . . . . . . . . . A . 21 ALA N . . . . . . . . . rr_1kwj 1 . 1 . 299 . 1 1 21 ALA O O -6.140 -6.400 9.667 . . . 1.0 . . . . . . . . . . . . A . 21 ALA O . . . . . . . . . rr_1kwj 1 . 1 . 300 . 1 1 22 GLU C C -4.345 -8.416 10.684 . . . 1.0 . . . . . . . . . . . . A . 22 GLU C . . . . . . . . . rr_1kwj 1 . 1 . 301 . 1 1 22 GLU CA C -5.172 -8.997 9.507 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CA . . . . . . . . . rr_1kwj 1 . 1 . 302 . 1 1 22 GLU CB C -4.613 -10.338 8.995 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CB . . . . . . . . . rr_1kwj 1 . 1 . 303 . 1 1 22 GLU CD C -6.777 -11.604 8.222 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CD . . . . . . . . . rr_1kwj 1 . 1 . 304 . 1 1 22 GLU CG C -5.422 -11.005 7.855 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CG . . . . . . . . . rr_1kwj 1 . 1 . 305 . 1 1 22 GLU H H -5.035 -8.334 7.466 . . . 1.0 . . . . . . . . . . . . A . 22 GLU H . . . . . . . . . rr_1kwj 1 . 1 . 306 . 1 1 22 GLU HA H -6.175 -9.193 9.889 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HA . . . . . . . . . rr_1kwj 1 . 1 . 307 . 1 1 22 GLU HB2 H -3.597 -10.164 8.637 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB2 . . . . . . . . . rr_1kwj 1 . 1 . 308 . 1 1 22 GLU HB3 H -4.559 -11.035 9.834 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB3 . . . . . . . . . rr_1kwj 1 . 1 . 309 . 1 1 22 GLU HG2 H -5.607 -10.289 7.067 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG2 . . . . . . . . . rr_1kwj 1 . 1 . 310 . 1 1 22 GLU HG3 H -4.828 -11.820 7.444 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG3 . . . . . . . . . rr_1kwj 1 . 1 . 311 . 1 1 22 GLU N N -5.288 -8.041 8.403 . . . 1.0 . . . . . . . . . . . . A . 22 GLU N . . . . . . . . . rr_1kwj 1 . 1 . 312 . 1 1 22 GLU O O -4.580 -8.769 11.837 . . . 1.0 . . . . . . . . . . . . A . 22 GLU O . . . . . . . . . rr_1kwj 1 . 1 . 313 . 1 1 22 GLU OE1 O -6.926 -12.055 9.374 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE1 . . . . . . . . . rr_1kwj 1 . 1 . 314 . 1 1 22 GLU OE2 O -7.630 -11.667 7.302 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE2 . . . . . . . . . rr_1kwj 1 . 1 . 315 . 1 1 23 LYS C C -3.514 -5.311 11.653 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . rr_1kwj 1 . 1 . 316 . 1 1 23 LYS CA C -2.760 -6.638 11.410 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . rr_1kwj 1 . 1 . 317 . 1 1 23 LYS CB C -1.315 -6.346 10.960 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . rr_1kwj 1 . 1 . 318 . 1 1 23 LYS CD C 1.074 -7.149 10.878 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . rr_1kwj 1 . 1 . 319 . 1 1 23 LYS CE C 2.127 -8.008 11.593 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . rr_1kwj 1 . 1 . 320 . 1 1 23 LYS CG C -0.324 -7.402 11.466 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . rr_1kwj 1 . 1 . 321 . 1 1 23 LYS H H -3.244 -7.273 9.431 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . rr_1kwj 1 . 1 . 322 . 1 1 23 LYS HA H -2.719 -7.152 12.371 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . rr_1kwj 1 . 1 . 323 . 1 1 23 LYS HB2 H -1.269 -6.288 9.871 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . rr_1kwj 1 . 1 . 324 . 1 1 23 LYS HB3 H -1.002 -5.383 11.363 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . rr_1kwj 1 . 1 . 325 . 1 1 23 LYS HD2 H 1.046 -7.387 9.812 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . rr_1kwj 1 . 1 . 326 . 1 1 23 LYS HD3 H 1.343 -6.095 10.986 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . rr_1kwj 1 . 1 . 327 . 1 1 23 LYS HE2 H 2.279 -7.623 12.605 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . rr_1kwj 1 . 1 . 328 . 1 1 23 LYS HE3 H 1.763 -9.035 11.664 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . rr_1kwj 1 . 1 . 329 . 1 1 23 LYS HG2 H -0.285 -7.345 12.556 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . rr_1kwj 1 . 1 . 330 . 1 1 23 LYS HG3 H -0.677 -8.395 11.177 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . rr_1kwj 1 . 1 . 331 . 1 1 23 LYS HZ1 H 4.140 -8.558 11.314 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . rr_1kwj 1 . 1 . 332 . 1 1 23 LYS HZ2 H 3.908 -7.102 10.818 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . rr_1kwj 1 . 1 . 333 . 1 1 23 LYS HZ3 H 3.337 -8.300 9.912 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . rr_1kwj 1 . 1 . 334 . 1 1 23 LYS N N -3.413 -7.489 10.406 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . rr_1kwj 1 . 1 . 335 . 1 1 23 LYS NZ N 3.418 -8.011 10.871 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . rr_1kwj 1 . 1 . 336 . 1 1 23 LYS O O -3.741 -4.916 12.793 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . rr_1kwj 1 . 1 . 337 . 1 1 24 LEU C C -5.665 -2.832 10.667 . . . 1.0 . . . . . . . . . . . . A . 24 LEU C . . . . . . . . . rr_1kwj 1 . 1 . 338 . 1 1 24 LEU CA C -4.158 -3.157 10.569 . . . 1.0 . . . . . . . . . . . . A . 24 LEU CA . . . . . . . . . rr_1kwj 1 . 1 . 339 . 1 1 24 LEU CB C -3.543 -2.552 9.301 . . . 1.0 . . . . . . . . . . . . A . 24 LEU CB . . . . . . . . . rr_1kwj 1 . 1 . 340 . 1 1 24 LEU CD1 C -1.598 -2.076 7.835 . . . 1.0 . . . . . . . . . . . . A . 24 LEU CD1 . . . . . . . . . rr_1kwj 1 . 1 . 341 . 1 1 24 LEU CD2 C -1.267 -1.997 10.305 . . . 1.0 . . . . . . . . . . . . A . 24 LEU CD2 . . . . . . . . . rr_1kwj 1 . 1 . 342 . 1 1 24 LEU CG C -2.017 -2.700 9.168 . . . 1.0 . . . . . . . . . . . . A . 24 LEU CG . . . . . . . . . rr_1kwj 1 . 1 . 343 . 1 1 24 LEU H H -3.608 -5.004 9.685 . . . 1.0 . . . . . . . . . . . . A . 24 LEU H . . . . . . . . . rr_1kwj 1 . 1 . 344 . 1 1 24 LEU HA H -3.704 -2.652 11.421 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HA . . . . . . . . . rr_1kwj 1 . 1 . 345 . 1 1 24 LEU HB2 H -4.028 -2.991 8.429 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HB2 . . . . . . . . . rr_1kwj 1 . 1 . 346 . 1 1 24 LEU HB3 H -3.744 -1.492 9.308 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HB3 . . . . . . . . . rr_1kwj 1 . 1 . 347 . 1 1 24 LEU HD11 H -2.132 -2.561 7.021 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD11 . . . . . . . . . rr_1kwj 1 . 1 . 348 . 1 1 24 LEU HD12 H -1.847 -1.016 7.826 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD12 . . . . . . . . . rr_1kwj 1 . 1 . 349 . 1 1 24 LEU HD13 H -0.527 -2.203 7.683 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD13 . . . . . . . . . rr_1kwj 1 . 1 . 350 . 1 1 24 LEU HD21 H -1.450 -2.507 11.251 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD21 . . . . . . . . . rr_1kwj 1 . 1 . 351 . 1 1 24 LEU HD22 H -0.195 -2.023 10.106 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD22 . . . . . . . . . rr_1kwj 1 . 1 . 352 . 1 1 24 LEU HD23 H -1.588 -0.958 10.384 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD23 . . . . . . . . . rr_1kwj 1 . 1 . 353 . 1 1 24 LEU HG H -1.727 -3.749 9.161 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HG . . . . . . . . . rr_1kwj 1 . 1 . 354 . 1 1 24 LEU N N -3.826 -4.584 10.578 . . . 1.0 . . . . . . . . . . . . A . 24 LEU N . . . . . . . . . rr_1kwj 1 . 1 . 355 . 1 1 24 LEU O O -6.036 -1.679 10.865 . . . 1.0 . . . . . . . . . . . . A . 24 LEU O . . . . . . . . . rr_1kwj 1 . 1 . 356 . 1 1 25 GLY C C -8.769 -2.698 9.997 . . . 1.0 . . . . . . . . . . . . A . 25 GLY C . . . . . . . . . rr_1kwj 1 . 1 . 357 . 1 1 25 GLY CA C -7.973 -3.702 10.835 . . . 1.0 . . . . . . . . . . . . A . 25 GLY CA . . . . . . . . . rr_1kwj 1 . 1 . 358 . 1 1 25 GLY H H -6.182 -4.757 10.388 . . . 1.0 . . . . . . . . . . . . A . 25 GLY H . . . . . . . . . rr_1kwj 1 . 1 . 359 . 1 1 25 GLY HA2 H -8.434 -4.669 10.671 . . . 1.0 . . . . . . . . . . . . A . 25 GLY HA2 . . . . . . . . . rr_1kwj 1 . 1 . 360 . 1 1 25 GLY HA3 H -8.087 -3.442 11.886 . . . 1.0 . . . . . . . . . . . . A . 25 GLY HA3 . . . . . . . . . rr_1kwj 1 . 1 . 361 . 1 1 25 GLY N N -6.547 -3.823 10.530 . . . 1.0 . . . . . . . . . . . . A . 25 GLY N . . . . . . . . . rr_1kwj 1 . 1 . 362 . 1 1 25 GLY O O -9.610 -1.993 10.541 . . . 1.0 . . . . . . . . . . . . A . 25 GLY O . . . . . . . . . rr_1kwj 1 . 1 . 363 . 1 1 26 CYS C C -8.984 -0.331 7.852 . . . 1.0 . . . . . . . . . . . . A . 26 CYS C . . . . . . . . . rr_1kwj 1 . 1 . 364 . 1 1 26 CYS CA C -9.184 -1.842 7.658 . . . 1.0 . . . . . . . . . . . . A . 26 CYS CA . . . . . . . . . rr_1kwj 1 . 1 . 365 . 1 1 26 CYS CB C -10.655 -2.148 7.511 . . . 1.0 . . . . . . . . . . . . A . 26 CYS CB . . . . . . . . . rr_1kwj 1 . 1 . 366 . 1 1 26 CYS H H -7.845 -3.335 8.369 . . . 1.0 . . . . . . . . . . . . A . 26 CYS H . . . . . . . . . rr_1kwj 1 . 1 . 367 . 1 1 26 CYS HA H -8.713 -2.076 6.705 . . . 1.0 . . . . . . . . . . . . A . 26 CYS HA . . . . . . . . . rr_1kwj 1 . 1 . 368 . 1 1 26 CYS HB2 H -11.163 -1.776 8.397 . . . 1.0 . . . . . . . . . . . . A . 26 CYS HB2 . . . . . . . . . rr_1kwj 1 . 1 . 369 . 1 1 26 CYS HB3 H -11.027 -1.613 6.635 . . . 1.0 . . . . . . . . . . . . A . 26 CYS HB3 . . . . . . . . . rr_1kwj 1 . 1 . 370 . 1 1 26 CYS N N -8.528 -2.672 8.681 . . . 1.0 . . . . . . . . . . . . A . 26 CYS N . . . . . . . . . rr_1kwj 1 . 1 . 371 . 1 1 26 CYS O O -8.451 0.333 6.963 . . . 1.0 . . . . . . . . . . . . A . 26 CYS O . . . . . . . . . rr_1kwj 1 . 1 . 372 . 1 1 26 CYS SG S -11.097 -3.910 7.378 . . . 1.0 . . . . . . . . . . . . A . 26 CYS SG . . . . . . . . . rr_1kwj 1 . 1 . 373 . 1 1 27 ASP C C -8.106 2.290 9.037 . . . 1.0 . . . . . . . . . . . . A . 27 ASP C . . . . . . . . . rr_1kwj 1 . 1 . 374 . 1 1 27 ASP CA C -9.431 1.609 9.384 . . . 1.0 . . . . . . . . . . . . A . 27 ASP CA . . . . . . . . . rr_1kwj 1 . 1 . 375 . 1 1 27 ASP CB C -9.720 1.688 10.892 . . . 1.0 . . . . . . . . . . . . A . 27 ASP CB . . . . . . . . . rr_1kwj 1 . 1 . 376 . 1 1 27 ASP CG C -11.126 1.253 11.285 . . . 1.0 . . . . . . . . . . . . A . 27 ASP CG . . . . . . . . . rr_1kwj 1 . 1 . 377 . 1 1 27 ASP H H -9.841 -0.420 9.671 . . . 1.0 . . . . . . . . . . . . A . 27 ASP H . . . . . . . . . rr_1kwj 1 . 1 . 378 . 1 1 27 ASP HA H -10.233 2.112 8.852 . . . 1.0 . . . . . . . . . . . . A . 27 ASP HA . . . . . . . . . rr_1kwj 1 . 1 . 379 . 1 1 27 ASP HB2 H -9.013 1.070 11.445 . . . 1.0 . . . . . . . . . . . . A . 27 ASP HB2 . . . . . . . . . rr_1kwj 1 . 1 . 380 . 1 1 27 ASP HB3 H -9.611 2.721 11.221 . . . 1.0 . . . . . . . . . . . . A . 27 ASP HB3 . . . . . . . . . rr_1kwj 1 . 1 . 381 . 1 1 27 ASP N N -9.420 0.206 8.995 . . . 1.0 . . . . . . . . . . . . A . 27 ASP N . . . . . . . . . rr_1kwj 1 . 1 . 382 . 1 1 27 ASP O O -8.072 3.371 8.453 . . . 1.0 . . . . . . . . . . . . A . 27 ASP O . . . . . . . . . rr_1kwj 1 . 1 . 383 . 1 1 27 ASP OD1 O -11.837 0.704 10.416 . . . 1.0 . . . . . . . . . . . . A . 27 ASP OD1 . . . . . . . . . rr_1kwj 1 . 1 . 384 . 1 1 27 ASP OD2 O -11.462 1.489 12.465 . . . 1.0 . . . . . . . . . . . . A . 27 ASP OD2 . . . . . . . . . rr_1kwj 1 . 1 . 385 . 1 1 28 ALA C C -5.455 2.502 7.552 . . . 1.0 . . . . . . . . . . . . A . 28 ALA C . . . . . . . . . rr_1kwj 1 . 1 . 386 . 1 1 28 ALA CA C -5.643 1.951 8.979 . . . 1.0 . . . . . . . . . . . . A . 28 ALA CA . . . . . . . . . rr_1kwj 1 . 1 . 387 . 1 1 28 ALA CB C -4.808 0.693 9.153 . . . 1.0 . . . . . . . . . . . . A . 28 ALA CB . . . . . . . . . rr_1kwj 1 . 1 . 388 . 1 1 28 ALA H H -7.164 0.693 9.791 . . . 1.0 . . . . . . . . . . . . A . 28 ALA H . . . . . . . . . rr_1kwj 1 . 1 . 389 . 1 1 28 ALA HA H -5.294 2.706 9.683 . . . 1.0 . . . . . . . . . . . . A . 28 ALA HA . . . . . . . . . rr_1kwj 1 . 1 . 390 . 1 1 28 ALA HB1 H -3.779 0.872 8.842 . . . 1.0 . . . . . . . . . . . . A . 28 ALA HB1 . . . . . . . . . rr_1kwj 1 . 1 . 391 . 1 1 28 ALA HB2 H -4.815 0.389 10.201 . . . 1.0 . . . . . . . . . . . . A . 28 ALA HB2 . . . . . . . . . rr_1kwj 1 . 1 . 392 . 1 1 28 ALA HB3 H -5.251 -0.100 8.543 . . . 1.0 . . . . . . . . . . . . A . 28 ALA HB3 . . . . . . . . . rr_1kwj 1 . 1 . 393 . 1 1 28 ALA N N -7.010 1.589 9.337 . . . 1.0 . . . . . . . . . . . . A . 28 ALA N . . . . . . . . . rr_1kwj 1 . 1 . 394 . 1 1 28 ALA O O -4.570 3.325 7.327 . . . 1.0 . . . . . . . . . . . . A . 28 ALA O . . . . . . . . . rr_1kwj 1 . 1 . 395 . 1 1 29 CYS C C -7.511 3.154 4.751 . . . 1.0 . . . . . . . . . . . . A . 29 CYS C . . . . . . . . . rr_1kwj 1 . 1 . 396 . 1 1 29 CYS CA C -6.215 2.447 5.188 . . . 1.0 . . . . . . . . . . . . A . 29 CYS CA . . . . . . . . . rr_1kwj 1 . 1 . 397 . 1 1 29 CYS CB C -6.013 1.226 4.332 . . . 1.0 . . . . . . . . . . . . A . 29 CYS CB . . . . . . . . . rr_1kwj 1 . 1 . 398 . 1 1 29 CYS H H -6.973 1.358 6.848 . . . 1.0 . . . . . . . . . . . . A . 29 CYS H . . . . . . . . . rr_1kwj 1 . 1 . 399 . 1 1 29 CYS HA H -5.395 3.140 4.998 . . . 1.0 . . . . . . . . . . . . A . 29 CYS HA . . . . . . . . . rr_1kwj 1 . 1 . 400 . 1 1 29 CYS HB2 H -6.794 0.495 4.564 . . . 1.0 . . . . . . . . . . . . A . 29 CYS HB2 . . . . . . . . . rr_1kwj 1 . 1 . 401 . 1 1 29 CYS HB3 H -6.122 1.526 3.289 . . . 1.0 . . . . . . . . . . . . A . 29 CYS HB3 . . . . . . . . . rr_1kwj 1 . 1 . 402 . 1 1 29 CYS N N -6.252 2.026 6.589 . . . 1.0 . . . . . . . . . . . . A . 29 CYS N . . . . . . . . . rr_1kwj 1 . 1 . 403 . 1 1 29 CYS O O -7.655 3.514 3.585 . . . 1.0 . . . . . . . . . . . . A . 29 CYS O . . . . . . . . . rr_1kwj 1 . 1 . 404 . 1 1 29 CYS SG S -4.364 0.459 4.516 . . . 1.0 . . . . . . . . . . . . A . 29 CYS SG . . . . . . . . . rr_1kwj 1 . 1 . 405 . 1 1 30 HIS C C -10.603 4.359 6.390 . . . 1.0 . . . . . . . . . . . . A . 30 HIS C . . . . . . . . . rr_1kwj 1 . 1 . 406 . 1 1 30 HIS CA C -9.862 3.608 5.279 . . . 1.0 . . . . . . . . . . . . A . 30 HIS CA . . . . . . . . . rr_1kwj 1 . 1 . 407 . 1 1 30 HIS CB C -10.554 2.273 4.968 . . . 1.0 . . . . . . . . . . . . A . 30 HIS CB . . . . . . . . . rr_1kwj 1 . 1 . 408 . 1 1 30 HIS CD2 C -9.966 0.290 3.486 . . . 1.0 . . . . . . . . . . . . A . 30 HIS CD2 . . . . . . . . . rr_1kwj 1 . 1 . 409 . 1 1 30 HIS CE1 C -9.894 1.251 1.526 . . . 1.0 . . . . . . . . . . . . A . 30 HIS CE1 . . . . . . . . . rr_1kwj 1 . 1 . 410 . 1 1 30 HIS CG C -10.175 1.621 3.672 . . . 1.0 . . . . . . . . . . . . A . 30 HIS CG . . . . . . . . . rr_1kwj 1 . 1 . 411 . 1 1 30 HIS H H -8.296 3.106 6.622 . . . 1.0 . . . . . . . . . . . . A . 30 HIS H . . . . . . . . . rr_1kwj 1 . 1 . 412 . 1 1 30 HIS HA H -9.903 4.272 4.418 . . . 1.0 . . . . . . . . . . . . A . 30 HIS HA . . . . . . . . . rr_1kwj 1 . 1 . 413 . 1 1 30 HIS HB2 H -10.337 1.584 5.784 . . . 1.0 . . . . . . . . . . . . A . 30 HIS HB2 . . . . . . . . . rr_1kwj 1 . 1 . 414 . 1 1 30 HIS HB3 H -11.629 2.424 4.960 . . . 1.0 . . . . . . . . . . . . A . 30 HIS HB3 . . . . . . . . . rr_1kwj 1 . 1 . 415 . 1 1 30 HIS HD1 H -10.105 3.209 2.289 . . . 1.0 . . . . . . . . . . . . A . 30 HIS HD1 . . . . . . . . . rr_1kwj 1 . 1 . 416 . 1 1 30 HIS HD2 H -9.933 -0.449 4.266 . . . 1.0 . . . . . . . . . . . . A . 30 HIS HD2 . . . . . . . . . rr_1kwj 1 . 1 . 417 . 1 1 30 HIS HE1 H -9.770 1.410 0.465 . . . 1.0 . . . . . . . . . . . . A . 30 HIS HE1 . . . . . . . . . rr_1kwj 1 . 1 . 418 . 1 1 30 HIS N N -8.487 3.314 5.648 . . . 1.0 . . . . . . . . . . . . A . 30 HIS N . . . . . . . . . rr_1kwj 1 . 1 . 419 . 1 1 30 HIS ND1 N -10.146 2.213 2.439 . . . 1.0 . . . . . . . . . . . . A . 30 HIS ND1 . . . . . . . . . rr_1kwj 1 . 1 . 420 . 1 1 30 HIS NE2 N -9.776 0.051 2.114 . . . 1.0 . . . . . . . . . . . . A . 30 HIS NE2 . . . . . . . . . rr_1kwj 1 . 1 . 421 . 1 1 30 HIS O O -11.103 3.745 7.327 . . . 1.0 . . . . . . . . . . . . A . 30 HIS O . . . . . . . . . rr_1kwj 1 . 1 . 422 . 1 1 31 GLU C C -12.885 6.214 7.416 . . . 1.0 . . . . . . . . . . . . A . 31 GLU C . . . . . . . . . rr_1kwj 1 . 1 . 423 . 1 1 31 GLU CA C -11.378 6.509 7.264 . . . 1.0 . . . . . . . . . . . . A . 31 GLU CA . . . . . . . . . rr_1kwj 1 . 1 . 424 . 1 1 31 GLU CB C -11.086 7.986 6.969 . . . 1.0 . . . . . . . . . . . . A . 31 GLU CB . . . . . . . . . rr_1kwj 1 . 1 . 425 . 1 1 31 GLU CD C -9.270 9.765 6.852 . . . 1.0 . . . . . . . . . . . . A . 31 GLU CD . . . . . . . . . rr_1kwj 1 . 1 . 426 . 1 1 31 GLU CG C -9.577 8.284 7.038 . . . 1.0 . . . . . . . . . . . . A . 31 GLU CG . . . . . . . . . rr_1kwj 1 . 1 . 427 . 1 1 31 GLU H H -10.291 6.153 5.486 . . . 1.0 . . . . . . . . . . . . A . 31 GLU H . . . . . . . . . rr_1kwj 1 . 1 . 428 . 1 1 31 GLU HA H -10.890 6.258 8.203 . . . 1.0 . . . . . . . . . . . . A . 31 GLU HA . . . . . . . . . rr_1kwj 1 . 1 . 429 . 1 1 31 GLU HB2 H -11.472 8.257 5.985 . . . 1.0 . . . . . . . . . . . . A . 31 GLU HB2 . . . . . . . . . rr_1kwj 1 . 1 . 430 . 1 1 31 GLU HB3 H -11.591 8.601 7.717 . . . 1.0 . . . . . . . . . . . . A . 31 GLU HB3 . . . . . . . . . rr_1kwj 1 . 1 . 431 . 1 1 31 GLU HG2 H -9.189 7.995 8.014 . . . 1.0 . . . . . . . . . . . . A . 31 GLU HG2 . . . . . . . . . rr_1kwj 1 . 1 . 432 . 1 1 31 GLU HG3 H -9.037 7.733 6.269 . . . 1.0 . . . . . . . . . . . . A . 31 GLU HG3 . . . . . . . . . rr_1kwj 1 . 1 . 433 . 1 1 31 GLU N N -10.737 5.680 6.256 . . . 1.0 . . . . . . . . . . . . A . 31 GLU N . . . . . . . . . rr_1kwj 1 . 1 . 434 . 1 1 31 GLU O O -13.739 6.899 6.852 . . . 1.0 . . . . . . . . . . . . A . 31 GLU O . . . . . . . . . rr_1kwj 1 . 1 . 435 . 1 1 31 GLU OE1 O -9.787 10.556 7.668 . . . 1.0 . . . . . . . . . . . . A . 31 GLU OE1 . . . . . . . . . rr_1kwj 1 . 1 . 436 . 1 1 31 GLU OE2 O -8.525 10.070 5.897 . . . 1.0 . . . . . . . . . . . . A . 31 GLU OE2 . . . . . . . . . rr_1kwj 1 . 1 . 437 . 1 1 32 GLY C C -15.311 4.073 7.384 . . . 1.0 . . . . . . . . . . . . A . 32 GLY C . . . . . . . . . rr_1kwj 1 . 1 . 438 . 1 1 32 GLY CA C -14.588 4.795 8.525 . . . 1.0 . . . . . . . . . . . . A . 32 GLY CA . . . . . . . . . rr_1kwj 1 . 1 . 439 . 1 1 32 GLY H H -12.458 4.557 8.455 . . . 1.0 . . . . . . . . . . . . A . 32 GLY H . . . . . . . . . rr_1kwj 1 . 1 . 440 . 1 1 32 GLY HA2 H -14.554 4.132 9.390 . . . 1.0 . . . . . . . . . . . . A . 32 GLY HA2 . . . . . . . . . rr_1kwj 1 . 1 . 441 . 1 1 32 GLY HA3 H -15.159 5.683 8.798 . . . 1.0 . . . . . . . . . . . . A . 32 GLY HA3 . . . . . . . . . rr_1kwj 1 . 1 . 442 . 1 1 32 GLY N N -13.219 5.171 8.179 . . . 1.0 . . . . . . . . . . . . A . 32 GLY N . . . . . . . . . rr_1kwj 1 . 1 . 443 . 1 1 32 GLY O O -15.742 2.934 7.538 . . . 1.0 . . . . . . . . . . . . A . 32 GLY O . . . . . . . . . rr_1kwj 1 . 1 . 444 . 1 1 33 THR C C -15.090 3.611 4.071 . . . 1.0 . . . . . . . . . . . . A . 33 THR C . . . . . . . . . rr_1kwj 1 . 1 . 445 . 1 1 33 THR CA C -16.123 4.189 5.051 . . . 1.0 . . . . . . . . . . . . A . 33 THR CA . . . . . . . . . rr_1kwj 1 . 1 . 446 . 1 1 33 THR CB C -16.966 5.279 4.371 . . . 1.0 . . . . . . . . . . . . A . 33 THR CB . . . . . . . . . rr_1kwj 1 . 1 . 447 . 1 1 33 THR CG2 C -17.805 4.704 3.227 . . . 1.0 . . . . . . . . . . . . A . 33 THR CG2 . . . . . . . . . rr_1kwj 1 . 1 . 448 . 1 1 33 THR H H -15.069 5.677 6.194 . . . 1.0 . . . . . . . . . . . . A . 33 THR H . . . . . . . . . rr_1kwj 1 . 1 . 449 . 1 1 33 THR HA H -16.826 3.418 5.362 . . . 1.0 . . . . . . . . . . . . A . 33 THR HA . . . . . . . . . rr_1kwj 1 . 1 . 450 . 1 1 33 THR HB H -16.317 6.069 3.985 . . . 1.0 . . . . . . . . . . . . A . 33 THR HB . . . . . . . . . rr_1kwj 1 . 1 . 451 . 1 1 33 THR HG1 H -18.354 5.146 5.731 . . . 1.0 . . . . . . . . . . . . A . 33 THR HG1 . . . . . . . . . rr_1kwj 1 . 1 . 452 . 1 1 33 THR HG21 H -17.164 4.317 2.434 . . . 1.0 . . . . . . . . . . . . A . 33 THR HG21 . . . . . . . . . rr_1kwj 1 . 1 . 453 . 1 1 33 THR HG22 H -18.447 3.903 3.594 . . . 1.0 . . . . . . . . . . . . A . 33 THR HG22 . . . . . . . . . rr_1kwj 1 . 1 . 454 . 1 1 33 THR HG23 H -18.432 5.494 2.812 . . . 1.0 . . . . . . . . . . . . A . 33 THR HG23 . . . . . . . . . rr_1kwj 1 . 1 . 455 . 1 1 33 THR N N -15.457 4.738 6.235 . . . 1.0 . . . . . . . . . . . . A . 33 THR N . . . . . . . . . rr_1kwj 1 . 1 . 456 . 1 1 33 THR O O -14.402 4.383 3.402 . . . 1.0 . . . . . . . . . . . . A . 33 THR O . . . . . . . . . rr_1kwj 1 . 1 . 457 . 1 1 33 THR OG1 O -17.859 5.850 5.304 . . . 1.0 . . . . . . . . . . . . A . 33 THR OG1 . . . . . . . . . rr_1kwj 1 . 1 . 458 . 1 1 34 PRO C C -14.488 1.822 1.578 . . . 1.0 . . . . . . . . . . . . A . 34 PRO C . . . . . . . . . rr_1kwj 1 . 1 . 459 . 1 1 34 PRO CA C -13.994 1.692 3.023 . . . 1.0 . . . . . . . . . . . . A . 34 PRO CA . . . . . . . . . rr_1kwj 1 . 1 . 460 . 1 1 34 PRO CB C -13.871 0.234 3.456 . . . 1.0 . . . . . . . . . . . . A . 34 PRO CB . . . . . . . . . rr_1kwj 1 . 1 . 461 . 1 1 34 PRO CD C -15.672 1.235 4.661 . . . 1.0 . . . . . . . . . . . . A . 34 PRO CD . . . . . . . . . rr_1kwj 1 . 1 . 462 . 1 1 34 PRO CG C -15.263 -0.081 3.999 . . . 1.0 . . . . . . . . . . . . A . 34 PRO CG . . . . . . . . . rr_1kwj 1 . 1 . 463 . 1 1 34 PRO HA H -13.023 2.177 3.111 . . . 1.0 . . . . . . . . . . . . A . 34 PRO HA . . . . . . . . . rr_1kwj 1 . 1 . 464 . 1 1 34 PRO HB2 H -13.595 -0.405 2.623 . . . 1.0 . . . . . . . . . . . . A . 34 PRO HB2 . . . . . . . . . rr_1kwj 1 . 1 . 465 . 1 1 34 PRO HB3 H -13.138 0.149 4.260 . . . 1.0 . . . . . . . . . . . . A . 34 PRO HB3 . . . . . . . . . rr_1kwj 1 . 1 . 466 . 1 1 34 PRO HD2 H -16.755 1.349 4.599 . . . 1.0 . . . . . . . . . . . . A . 34 PRO HD2 . . . . . . . . . rr_1kwj 1 . 1 . 467 . 1 1 34 PRO HD3 H -15.349 1.212 5.700 . . . 1.0 . . . . . . . . . . . . A . 34 PRO HD3 . . . . . . . . . rr_1kwj 1 . 1 . 468 . 1 1 34 PRO HG2 H -15.941 -0.299 3.172 . . . 1.0 . . . . . . . . . . . . A . 34 PRO HG2 . . . . . . . . . rr_1kwj 1 . 1 . 469 . 1 1 34 PRO HG3 H -15.257 -0.912 4.705 . . . 1.0 . . . . . . . . . . . . A . 34 PRO HG3 . . . . . . . . . rr_1kwj 1 . 1 . 470 . 1 1 34 PRO N N -14.949 2.280 3.947 . . . 1.0 . . . . . . . . . . . . A . 34 PRO N . . . . . . . . . rr_1kwj 1 . 1 . 471 . 1 1 34 PRO O O -15.649 1.546 1.281 . . . 1.0 . . . . . . . . . . . . A . 34 PRO O . . . . . . . . . rr_1kwj 1 . 1 . 472 . 1 1 35 ALA C C -12.637 2.436 -1.574 . . . 1.0 . . . . . . . . . . . . A . 35 ALA C . . . . . . . . . rr_1kwj 1 . 1 . 473 . 1 1 35 ALA CA C -13.917 2.473 -0.732 . . . 1.0 . . . . . . . . . . . . A . 35 ALA CA . . . . . . . . . rr_1kwj 1 . 1 . 474 . 1 1 35 ALA CB C -14.645 3.815 -0.876 . . . 1.0 . . . . . . . . . . . . A . 35 ALA CB . . . . . . . . . rr_1kwj 1 . 1 . 475 . 1 1 35 ALA H H -12.651 2.425 0.963 . . . 1.0 . . . . . . . . . . . . A . 35 ALA H . . . . . . . . . rr_1kwj 1 . 1 . 476 . 1 1 35 ALA HA H -14.573 1.676 -1.088 . . . 1.0 . . . . . . . . . . . . A . 35 ALA HA . . . . . . . . . rr_1kwj 1 . 1 . 477 . 1 1 35 ALA HB1 H -14.005 4.625 -0.525 . . . 1.0 . . . . . . . . . . . . A . 35 ALA HB1 . . . . . . . . . rr_1kwj 1 . 1 . 478 . 1 1 35 ALA HB2 H -14.908 3.993 -1.919 . . . 1.0 . . . . . . . . . . . . A . 35 ALA HB2 . . . . . . . . . rr_1kwj 1 . 1 . 479 . 1 1 35 ALA HB3 H -15.561 3.808 -0.284 . . . 1.0 . . . . . . . . . . . . A . 35 ALA HB3 . . . . . . . . . rr_1kwj 1 . 1 . 480 . 1 1 35 ALA N N -13.603 2.245 0.674 . . . 1.0 . . . . . . . . . . . . A . 35 ALA N . . . . . . . . . rr_1kwj 1 . 1 . 481 . 1 1 35 ALA O O -11.529 2.399 -1.034 . . . 1.0 . . . . . . . . . . . . A . 35 ALA O . . . . . . . . . rr_1kwj 1 . 1 . 482 . 1 1 36 LYS C C -10.831 3.666 -3.891 . . . 1.0 . . . . . . . . . . . . A . 36 LYS C . . . . . . . . . rr_1kwj 1 . 1 . 483 . 1 1 36 LYS CA C -11.634 2.357 -3.802 . . . 1.0 . . . . . . . . . . . . A . 36 LYS CA . . . . . . . . . rr_1kwj 1 . 1 . 484 . 1 1 36 LYS CB C -12.023 1.785 -5.170 . . . 1.0 . . . . . . . . . . . . A . 36 LYS CB . . . . . . . . . rr_1kwj 1 . 1 . 485 . 1 1 36 LYS CD C -13.194 1.994 -7.348 . . . 1.0 . . . . . . . . . . . . A . 36 LYS CD . . . . . . . . . rr_1kwj 1 . 1 . 486 . 1 1 36 LYS CE C -14.299 2.696 -8.145 . . . 1.0 . . . . . . . . . . . . A . 36 LYS CE . . . . . . . . . rr_1kwj 1 . 1 . 487 . 1 1 36 LYS CG C -13.140 2.530 -5.913 . . . 1.0 . . . . . . . . . . . . A . 36 LYS CG . . . . . . . . . rr_1kwj 1 . 1 . 488 . 1 1 36 LYS H H -13.707 2.476 -3.294 . . . 1.0 . . . . . . . . . . . . A . 36 LYS H . . . . . . . . . rr_1kwj 1 . 1 . 489 . 1 1 36 LYS HA H -10.964 1.616 -3.376 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HA . . . . . . . . . rr_1kwj 1 . 1 . 490 . 1 1 36 LYS HB2 H -11.118 1.791 -5.780 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HB2 . . . . . . . . . rr_1kwj 1 . 1 . 491 . 1 1 36 LYS HB3 H -12.327 0.746 -5.036 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HB3 . . . . . . . . . rr_1kwj 1 . 1 . 492 . 1 1 36 LYS HD2 H -12.222 2.170 -7.817 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HD2 . . . . . . . . . rr_1kwj 1 . 1 . 493 . 1 1 36 LYS HD3 H -13.369 0.916 -7.314 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HD3 . . . . . . . . . rr_1kwj 1 . 1 . 494 . 1 1 36 LYS HE2 H -15.264 2.494 -7.673 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HE2 . . . . . . . . . rr_1kwj 1 . 1 . 495 . 1 1 36 LYS HE3 H -14.126 3.776 -8.122 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HE3 . . . . . . . . . rr_1kwj 1 . 1 . 496 . 1 1 36 LYS HG2 H -14.094 2.364 -5.412 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HG2 . . . . . . . . . rr_1kwj 1 . 1 . 497 . 1 1 36 LYS HG3 H -12.937 3.601 -5.940 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HG3 . . . . . . . . . rr_1kwj 1 . 1 . 498 . 1 1 36 LYS HZ1 H -15.056 2.692 -10.061 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HZ1 . . . . . . . . . rr_1kwj 1 . 1 . 499 . 1 1 36 LYS HZ2 H -13.433 2.432 -9.991 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HZ2 . . . . . . . . . rr_1kwj 1 . 1 . 500 . 1 1 36 LYS HZ3 H -14.474 1.230 -9.577 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HZ3 . . . . . . . . . rr_1kwj 1 . 1 . 501 . 1 1 36 LYS N N -12.779 2.438 -2.903 . . . 1.0 . . . . . . . . . . . . A . 36 LYS N . . . . . . . . . rr_1kwj 1 . 1 . 502 . 1 1 36 LYS NZ N -14.319 2.229 -9.547 . . . 1.0 . . . . . . . . . . . . A . 36 LYS NZ . . . . . . . . . rr_1kwj 1 . 1 . 503 . 1 1 36 LYS O O -11.137 4.561 -4.674 . . . 1.0 . . . . . . . . . . . . A . 36 LYS O . . . . . . . . . rr_1kwj 1 . 1 . 504 . 1 1 37 ILE C C -8.008 4.702 -4.501 . . . 1.0 . . . . . . . . . . . . A . 37 ILE C . . . . . . . . . rr_1kwj 1 . 1 . 505 . 1 1 37 ILE CA C -8.784 4.836 -3.183 . . . 1.0 . . . . . . . . . . . . A . 37 ILE CA . . . . . . . . . rr_1kwj 1 . 1 . 506 . 1 1 37 ILE CB C -7.837 4.775 -1.968 . . . 1.0 . . . . . . . . . . . . A . 37 ILE CB . . . . . . . . . rr_1kwj 1 . 1 . 507 . 1 1 37 ILE CD1 C -7.849 4.529 0.577 . . . 1.0 . . . . . . . . . . . . A . 37 ILE CD1 . . . . . . . . . rr_1kwj 1 . 1 . 508 . 1 1 37 ILE CG1 C -8.634 4.958 -0.664 . . . 1.0 . . . . . . . . . . . . A . 37 ILE CG1 . . . . . . . . . rr_1kwj 1 . 1 . 509 . 1 1 37 ILE CG2 C -6.748 5.855 -2.081 . . . 1.0 . . . . . . . . . . . . A . 37 ILE CG2 . . . . . . . . . rr_1kwj 1 . 1 . 510 . 1 1 37 ILE H H -9.605 3.002 -2.447 . . . 1.0 . . . . . . . . . . . . A . 37 ILE H . . . . . . . . . rr_1kwj 1 . 1 . 511 . 1 1 37 ILE HA H -9.305 5.795 -3.168 . . . 1.0 . . . . . . . . . . . . A . 37 ILE HA . . . . . . . . . rr_1kwj 1 . 1 . 512 . 1 1 37 ILE HB H -7.356 3.795 -1.954 . . . 1.0 . . . . . . . . . . . . A . 37 ILE HB . . . . . . . . . rr_1kwj 1 . 1 . 513 . 1 1 37 ILE HD11 H -6.950 5.129 0.707 . . . 1.0 . . . . . . . . . . . . A . 37 ILE HD11 . . . . . . . . . rr_1kwj 1 . 1 . 514 . 1 1 37 ILE HD12 H -8.484 4.670 1.451 . . . 1.0 . . . . . . . . . . . . A . 37 ILE HD12 . . . . . . . . . rr_1kwj 1 . 1 . 515 . 1 1 37 ILE HD13 H -7.576 3.476 0.502 . . . 1.0 . . . . . . . . . . . . A . 37 ILE HD13 . . . . . . . . . rr_1kwj 1 . 1 . 516 . 1 1 37 ILE HG12 H -8.935 6.002 -0.562 . . . 1.0 . . . . . . . . . . . . A . 37 ILE HG12 . . . . . . . . . rr_1kwj 1 . 1 . 517 . 1 1 37 ILE HG13 H -9.533 4.343 -0.682 . . . 1.0 . . . . . . . . . . . . A . 37 ILE HG13 . . . . . . . . . rr_1kwj 1 . 1 . 518 . 1 1 37 ILE HG21 H -6.091 5.831 -1.213 . . . 1.0 . . . . . . . . . . . . A . 37 ILE HG21 . . . . . . . . . rr_1kwj 1 . 1 . 519 . 1 1 37 ILE HG22 H -6.128 5.691 -2.963 . . . 1.0 . . . . . . . . . . . . A . 37 ILE HG22 . . . . . . . . . rr_1kwj 1 . 1 . 520 . 1 1 37 ILE HG23 H -7.206 6.842 -2.149 . . . 1.0 . . . . . . . . . . . . A . 37 ILE HG23 . . . . . . . . . rr_1kwj 1 . 1 . 521 . 1 1 37 ILE N N -9.769 3.760 -3.092 . . . 1.0 . . . . . . . . . . . . A . 37 ILE N . . . . . . . . . rr_1kwj 1 . 1 . 522 . 1 1 37 ILE O O -7.506 3.625 -4.811 . . . 1.0 . . . . . . . . . . . . A . 37 ILE O . . . . . . . . . rr_1kwj 1 . 1 . 523 . 1 1 38 ALA C C -5.619 5.685 -6.289 . . . 1.0 . . . . . . . . . . . . A . 38 ALA C . . . . . . . . . rr_1kwj 1 . 1 . 524 . 1 1 38 ALA CA C -7.131 5.734 -6.528 . . . 1.0 . . . . . . . . . . . . A . 38 ALA CA . . . . . . . . . rr_1kwj 1 . 1 . 525 . 1 1 38 ALA CB C -7.501 6.890 -7.444 . . . 1.0 . . . . . . . . . . . . A . 38 ALA CB . . . . . . . . . rr_1kwj 1 . 1 . 526 . 1 1 38 ALA H H -8.327 6.647 -5.007 . . . 1.0 . . . . . . . . . . . . A . 38 ALA H . . . . . . . . . rr_1kwj 1 . 1 . 527 . 1 1 38 ALA HA H -7.406 4.824 -7.065 . . . 1.0 . . . . . . . . . . . . A . 38 ALA HA . . . . . . . . . rr_1kwj 1 . 1 . 528 . 1 1 38 ALA HB1 H -8.567 6.859 -7.665 . . . 1.0 . . . . . . . . . . . . A . 38 ALA HB1 . . . . . . . . . rr_1kwj 1 . 1 . 529 . 1 1 38 ALA HB2 H -7.238 7.841 -6.983 . . . 1.0 . . . . . . . . . . . . A . 38 ALA HB2 . . . . . . . . . rr_1kwj 1 . 1 . 530 . 1 1 38 ALA HB3 H -6.932 6.751 -8.363 . . . 1.0 . . . . . . . . . . . . A . 38 ALA HB3 . . . . . . . . . rr_1kwj 1 . 1 . 531 . 1 1 38 ALA N N -7.888 5.782 -5.281 . . . 1.0 . . . . . . . . . . . . A . 38 ALA N . . . . . . . . . rr_1kwj 1 . 1 . 532 . 1 1 38 ALA O O -4.968 6.689 -5.989 . . . 1.0 . . . . . . . . . . . . A . 38 ALA O . . . . . . . . . rr_1kwj 1 . 1 . 533 . 1 1 39 ILE C C -2.993 4.294 -7.748 . . . 1.0 . . . . . . . . . . . . A . 39 ILE C . . . . . . . . . rr_1kwj 1 . 1 . 534 . 1 1 39 ILE CA C -3.647 4.214 -6.366 . . . 1.0 . . . . . . . . . . . . A . 39 ILE CA . . . . . . . . . rr_1kwj 1 . 1 . 535 . 1 1 39 ILE CB C -3.401 2.858 -5.693 . . . 1.0 . . . . . . . . . . . . A . 39 ILE CB . . . . . . . . . rr_1kwj 1 . 1 . 536 . 1 1 39 ILE CD1 C -3.605 3.768 -3.279 . . . 1.0 . . . . . . . . . . . . A . 39 ILE CD1 . . . . . . . . . rr_1kwj 1 . 1 . 537 . 1 1 39 ILE CG1 C -4.093 2.756 -4.324 . . . 1.0 . . . . . . . . . . . . A . 39 ILE CG1 . . . . . . . . . rr_1kwj 1 . 1 . 538 . 1 1 39 ILE CG2 C -1.894 2.639 -5.537 . . . 1.0 . . . . . . . . . . . . A . 39 ILE CG2 . . . . . . . . . rr_1kwj 1 . 1 . 539 . 1 1 39 ILE H H -5.699 3.740 -6.708 . . . 1.0 . . . . . . . . . . . . A . 39 ILE H . . . . . . . . . rr_1kwj 1 . 1 . 540 . 1 1 39 ILE HA H -3.187 4.975 -5.740 . . . 1.0 . . . . . . . . . . . . A . 39 ILE HA . . . . . . . . . rr_1kwj 1 . 1 . 541 . 1 1 39 ILE HB H -3.804 2.067 -6.328 . . . 1.0 . . . . . . . . . . . . A . 39 ILE HB . . . . . . . . . rr_1kwj 1 . 1 . 542 . 1 1 39 ILE HD11 H -3.801 4.788 -3.608 . . . 1.0 . . . . . . . . . . . . A . 39 ILE HD11 . . . . . . . . . rr_1kwj 1 . 1 . 543 . 1 1 39 ILE HD12 H -4.142 3.606 -2.345 . . . 1.0 . . . . . . . . . . . . A . 39 ILE HD12 . . . . . . . . . rr_1kwj 1 . 1 . 544 . 1 1 39 ILE HD13 H -2.540 3.643 -3.089 . . . 1.0 . . . . . . . . . . . . A . 39 ILE HD13 . . . . . . . . . rr_1kwj 1 . 1 . 545 . 1 1 39 ILE HG12 H -5.167 2.866 -4.445 . . . 1.0 . . . . . . . . . . . . A . 39 ILE HG12 . . . . . . . . . rr_1kwj 1 . 1 . 546 . 1 1 39 ILE HG13 H -3.918 1.752 -3.951 . . . 1.0 . . . . . . . . . . . . A . 39 ILE HG13 . . . . . . . . . rr_1kwj 1 . 1 . 547 . 1 1 39 ILE HG21 H -1.451 2.428 -6.511 . . . 1.0 . . . . . . . . . . . . A . 39 ILE HG21 . . . . . . . . . rr_1kwj 1 . 1 . 548 . 1 1 39 ILE HG22 H -1.438 3.535 -5.122 . . . 1.0 . . . . . . . . . . . . A . 39 ILE HG22 . . . . . . . . . rr_1kwj 1 . 1 . 549 . 1 1 39 ILE HG23 H -1.700 1.803 -4.867 . . . 1.0 . . . . . . . . . . . . A . 39 ILE HG23 . . . . . . . . . rr_1kwj 1 . 1 . 550 . 1 1 39 ILE N N -5.071 4.486 -6.455 . . . 1.0 . . . . . . . . . . . . A . 39 ILE N . . . . . . . . . rr_1kwj 1 . 1 . 551 . 1 1 39 ILE O O -3.516 3.773 -8.730 . . . 1.0 . . . . . . . . . . . . A . 39 ILE O . . . . . . . . . rr_1kwj 1 . 1 . 552 . 1 1 40 ASP C C 0.370 5.562 -8.497 . . . 1.0 . . . . . . . . . . . . A . 40 ASP C . . . . . . . . . rr_1kwj 1 . 1 . 553 . 1 1 40 ASP CA C -1.051 5.246 -8.970 . . . 1.0 . . . . . . . . . . . . A . 40 ASP CA . . . . . . . . . rr_1kwj 1 . 1 . 554 . 1 1 40 ASP CB C -1.694 6.451 -9.671 . . . 1.0 . . . . . . . . . . . . A . 40 ASP CB . . . . . . . . . rr_1kwj 1 . 1 . 555 . 1 1 40 ASP CG C -0.962 6.984 -10.888 . . . 1.0 . . . . . . . . . . . . A . 40 ASP CG . . . . . . . . . rr_1kwj 1 . 1 . 556 . 1 1 40 ASP H H -1.468 5.334 -6.931 . . . 1.0 . . . . . . . . . . . . A . 40 ASP H . . . . . . . . . rr_1kwj 1 . 1 . 557 . 1 1 40 ASP HA H -1.034 4.384 -9.641 . . . 1.0 . . . . . . . . . . . . A . 40 ASP HA . . . . . . . . . rr_1kwj 1 . 1 . 558 . 1 1 40 ASP HB2 H -2.695 6.185 -9.988 . . . 1.0 . . . . . . . . . . . . A . 40 ASP HB2 . . . . . . . . . rr_1kwj 1 . 1 . 559 . 1 1 40 ASP HB3 H -1.717 7.266 -8.959 . . . 1.0 . . . . . . . . . . . . A . 40 ASP HB3 . . . . . . . . . rr_1kwj 1 . 1 . 560 . 1 1 40 ASP N N -1.843 4.963 -7.789 . . . 1.0 . . . . . . . . . . . . A . 40 ASP N . . . . . . . . . rr_1kwj 1 . 1 . 561 . 1 1 40 ASP O O 0.612 5.774 -7.306 . . . 1.0 . . . . . . . . . . . . A . 40 ASP O . . . . . . . . . rr_1kwj 1 . 1 . 562 . 1 1 40 ASP OD1 O -0.101 7.859 -10.659 . . . 1.0 . . . . . . . . . . . . A . 40 ASP OD1 . . . . . . . . . rr_1kwj 1 . 1 . 563 . 1 1 40 ASP OD2 O -1.267 6.534 -12.008 . . . 1.0 . . . . . . . . . . . . A . 40 ASP OD2 . . . . . . . . . rr_1kwj 1 . 1 . 564 . 1 1 41 LYS C C 2.749 7.602 -8.785 . . . 1.0 . . . . . . . . . . . . A . 41 LYS C . . . . . . . . . rr_1kwj 1 . 1 . 565 . 1 1 41 LYS CA C 2.648 6.151 -9.291 . . . 1.0 . . . . . . . . . . . . A . 41 LYS CA . . . . . . . . . rr_1kwj 1 . 1 . 566 . 1 1 41 LYS CB C 3.434 5.903 -10.584 . . . 1.0 . . . . . . . . . . . . A . 41 LYS CB . . . . . . . . . rr_1kwj 1 . 1 . 567 . 1 1 41 LYS CD C 3.399 5.721 -13.047 . . . 1.0 . . . . . . . . . . . . A . 41 LYS CD . . . . . . . . . rr_1kwj 1 . 1 . 568 . 1 1 41 LYS CE C 2.770 6.074 -14.394 . . . 1.0 . . . . . . . . . . . . A . 41 LYS CE . . . . . . . . . rr_1kwj 1 . 1 . 569 . 1 1 41 LYS CG C 2.820 6.504 -11.862 . . . 1.0 . . . . . . . . . . . . A . 41 LYS CG . . . . . . . . . rr_1kwj 1 . 1 . 570 . 1 1 41 LYS H H 0.906 5.420 -10.360 . . . 1.0 . . . . . . . . . . . . A . 41 LYS H . . . . . . . . . rr_1kwj 1 . 1 . 571 . 1 1 41 LYS HA H 3.111 5.534 -8.519 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HA . . . . . . . . . rr_1kwj 1 . 1 . 572 . 1 1 41 LYS HB2 H 4.455 6.270 -10.473 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HB2 . . . . . . . . . rr_1kwj 1 . 1 . 573 . 1 1 41 LYS HB3 H 3.478 4.821 -10.696 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HB3 . . . . . . . . . rr_1kwj 1 . 1 . 574 . 1 1 41 LYS HD2 H 4.480 5.865 -13.076 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HD2 . . . . . . . . . rr_1kwj 1 . 1 . 575 . 1 1 41 LYS HD3 H 3.168 4.668 -12.874 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HD3 . . . . . . . . . rr_1kwj 1 . 1 . 576 . 1 1 41 LYS HE2 H 1.688 5.937 -14.317 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HE2 . . . . . . . . . rr_1kwj 1 . 1 . 577 . 1 1 41 LYS HE3 H 2.972 7.121 -14.633 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HE3 . . . . . . . . . rr_1kwj 1 . 1 . 578 . 1 1 41 LYS HG2 H 1.736 6.385 -11.875 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HG2 . . . . . . . . . rr_1kwj 1 . 1 . 579 . 1 1 41 LYS HG3 H 3.051 7.568 -11.930 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HG3 . . . . . . . . . rr_1kwj 1 . 1 . 580 . 1 1 41 LYS HZ1 H 4.283 5.348 -15.619 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HZ1 . . . . . . . . . rr_1kwj 1 . 1 . 581 . 1 1 41 LYS HZ2 H 3.277 4.195 -15.196 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HZ2 . . . . . . . . . rr_1kwj 1 . 1 . 582 . 1 1 41 LYS HZ3 H 2.799 5.285 -16.325 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HZ3 . . . . . . . . . rr_1kwj 1 . 1 . 583 . 1 1 41 LYS N N 1.279 5.667 -9.450 . . . 1.0 . . . . . . . . . . . . A . 41 LYS N . . . . . . . . . rr_1kwj 1 . 1 . 584 . 1 1 41 LYS NZ N 3.301 5.189 -15.457 . . . 1.0 . . . . . . . . . . . . A . 41 LYS NZ . . . . . . . . . rr_1kwj 1 . 1 . 585 . 1 1 41 LYS O O 3.832 8.055 -8.420 . . . 1.0 . . . . . . . . . . . . A . 41 LYS O . . . . . . . . . rr_1kwj 1 . 1 . 586 . 1 1 42 LYS C C 1.203 9.188 -6.501 . . . 1.0 . . . . . . . . . . . . A . 42 LYS C . . . . . . . . . rr_1kwj 1 . 1 . 587 . 1 1 42 LYS CA C 1.465 9.554 -7.972 . . . 1.0 . . . . . . . . . . . . A . 42 LYS CA . . . . . . . . . rr_1kwj 1 . 1 . 588 . 1 1 42 LYS CB C 0.308 10.307 -8.655 . . . 1.0 . . . . . . . . . . . . A . 42 LYS CB . . . . . . . . . rr_1kwj 1 . 1 . 589 . 1 1 42 LYS CD C -0.989 12.372 -9.146 . . . 1.0 . . . . . . . . . . . . A . 42 LYS CD . . . . . . . . . rr_1kwj 1 . 1 . 590 . 1 1 42 LYS CE C -0.596 13.477 -10.136 . . . 1.0 . . . . . . . . . . . . A . 42 LYS CE . . . . . . . . . rr_1kwj 1 . 1 . 591 . 1 1 42 LYS CG C 0.228 11.811 -8.382 . . . 1.0 . . . . . . . . . . . . A . 42 LYS CG . . . . . . . . . rr_1kwj 1 . 1 . 592 . 1 1 42 LYS H H 0.794 7.964 -9.171 . . . 1.0 . . . . . . . . . . . . A . 42 LYS H . . . . . . . . . rr_1kwj 1 . 1 . 593 . 1 1 42 LYS HA H 2.380 10.146 -8.035 . . . 1.0 . . . . . . . . . . . . A . 42 LYS HA . . . . . . . . . rr_1kwj 1 . 1 . 594 . 1 1 42 LYS HB2 H 0.446 10.204 -9.733 . . . 1.0 . . . . . . . . . . . . A . 42 LYS HB2 . . . . . . . . . rr_1kwj 1 . 1 . 595 . 1 1 42 LYS HB3 H -0.643 9.838 -8.399 . . . 1.0 . . . . . . . . . . . . A . 42 LYS HB3 . . . . . . . . . rr_1kwj 1 . 1 . 596 . 1 1 42 LYS HD2 H -1.470 11.562 -9.701 . . . 1.0 . . . . . . . . . . . . A . 42 LYS HD2 . . . . . . . . . rr_1kwj 1 . 1 . 597 . 1 1 42 LYS HD3 H -1.715 12.751 -8.423 . . . 1.0 . . . . . . . . . . . . A . 42 LYS HD3 . . . . . . . . . rr_1kwj 1 . 1 . 598 . 1 1 42 LYS HE2 H -0.221 14.341 -9.580 . . . 1.0 . . . . . . . . . . . . A . 42 LYS HE2 . . . . . . . . . rr_1kwj 1 . 1 . 599 . 1 1 42 LYS HE3 H 0.205 13.110 -10.784 . . . 1.0 . . . . . . . . . . . . A . 42 LYS HE3 . . . . . . . . . rr_1kwj 1 . 1 . 600 . 1 1 42 LYS HG2 H 0.119 11.988 -7.310 . . . 1.0 . . . . . . . . . . . . A . 42 LYS HG2 . . . . . . . . . rr_1kwj 1 . 1 . 601 . 1 1 42 LYS HG3 H 1.156 12.277 -8.723 . . . 1.0 . . . . . . . . . . . . A . 42 LYS HG3 . . . . . . . . . rr_1kwj 1 . 1 . 602 . 1 1 42 LYS HZ1 H -2.069 13.087 -11.520 . . . 1.0 . . . . . . . . . . . . A . 42 LYS HZ1 . . . . . . . . . rr_1kwj 1 . 1 . 603 . 1 1 42 LYS HZ2 H -2.507 14.207 -10.401 . . . 1.0 . . . . . . . . . . . . A . 42 LYS HZ2 . . . . . . . . . rr_1kwj 1 . 1 . 604 . 1 1 42 LYS HZ3 H -1.477 14.615 -11.616 . . . 1.0 . . . . . . . . . . . . A . 42 LYS HZ3 . . . . . . . . . rr_1kwj 1 . 1 . 605 . 1 1 42 LYS N N 1.629 8.319 -8.707 . . . 1.0 . . . . . . . . . . . . A . 42 LYS N . . . . . . . . . rr_1kwj 1 . 1 . 606 . 1 1 42 LYS NZ N -1.746 13.878 -10.978 . . . 1.0 . . . . . . . . . . . . A . 42 LYS NZ . . . . . . . . . rr_1kwj 1 . 1 . 607 . 1 1 42 LYS O O 2.054 9.400 -5.638 . . . 1.0 . . . . . . . . . . . . A . 42 LYS O . . . . . . . . . rr_1kwj 1 . 1 . 608 . 1 1 43 SER C C 0.572 7.486 -4.035 . . . 1.0 . . . . . . . . . . . . A . 43 SER C . . . . . . . . . rr_1kwj 1 . 1 . 609 . 1 1 43 SER CA C -0.414 8.336 -4.850 . . . 1.0 . . . . . . . . . . . . A . 43 SER CA . . . . . . . . . rr_1kwj 1 . 1 . 610 . 1 1 43 SER CB C -1.810 7.686 -4.887 . . . 1.0 . . . . . . . . . . . . A . 43 SER CB . . . . . . . . . rr_1kwj 1 . 1 . 611 . 1 1 43 SER H H -0.627 8.393 -6.939 . . . 1.0 . . . . . . . . . . . . A . 43 SER H . . . . . . . . . rr_1kwj 1 . 1 . 612 . 1 1 43 SER HA H -0.497 9.319 -4.402 . . . 1.0 . . . . . . . . . . . . A . 43 SER HA . . . . . . . . . rr_1kwj 1 . 1 . 613 . 1 1 43 SER HB2 H -1.713 6.606 -4.995 . . . 1.0 . . . . . . . . . . . . A . 43 SER HB2 . . . . . . . . . rr_1kwj 1 . 1 . 614 . 1 1 43 SER HB3 H -2.332 7.891 -3.950 . . . 1.0 . . . . . . . . . . . . A . 43 SER HB3 . . . . . . . . . rr_1kwj 1 . 1 . 615 . 1 1 43 SER HG H -3.435 7.736 -6.002 . . . 1.0 . . . . . . . . . . . . A . 43 SER HG . . . . . . . . . rr_1kwj 1 . 1 . 616 . 1 1 43 SER N N 0.043 8.590 -6.207 . . . 1.0 . . . . . . . . . . . . A . 43 SER N . . . . . . . . . rr_1kwj 1 . 1 . 617 . 1 1 43 SER O O 1.023 7.888 -2.959 . . . 1.0 . . . . . . . . . . . . A . 43 SER O . . . . . . . . . rr_1kwj 1 . 1 . 618 . 1 1 43 SER OG O -2.568 8.176 -5.981 . . . 1.0 . . . . . . . . . . . . A . 43 SER OG . . . . . . . . . rr_1kwj 1 . 1 . 619 . 1 1 44 ALA C C 3.135 5.687 -3.619 . . . 1.0 . . . . . . . . . . . . A . 44 ALA C . . . . . . . . . rr_1kwj 1 . 1 . 620 . 1 1 44 ALA CA C 1.712 5.258 -3.974 . . . 1.0 . . . . . . . . . . . . A . 44 ALA CA . . . . . . . . . rr_1kwj 1 . 1 . 621 . 1 1 44 ALA CB C 1.808 4.086 -4.948 . . . 1.0 . . . . . . . . . . . . A . 44 ALA CB . . . . . . . . . rr_1kwj 1 . 1 . 622 . 1 1 44 ALA H H 0.577 6.145 -5.532 . . . 1.0 . . . . . . . . . . . . A . 44 ALA H . . . . . . . . . rr_1kwj 1 . 1 . 623 . 1 1 44 ALA HA H 1.218 4.911 -3.066 . . . 1.0 . . . . . . . . . . . . A . 44 ALA HA . . . . . . . . . rr_1kwj 1 . 1 . 624 . 1 1 44 ALA HB1 H 0.818 3.702 -5.185 . . . 1.0 . . . . . . . . . . . . A . 44 ALA HB1 . . . . . . . . . rr_1kwj 1 . 1 . 625 . 1 1 44 ALA HB2 H 2.307 4.395 -5.867 . . . 1.0 . . . . . . . . . . . . A . 44 ALA HB2 . . . . . . . . . rr_1kwj 1 . 1 . 626 . 1 1 44 ALA HB3 H 2.401 3.306 -4.474 . . . 1.0 . . . . . . . . . . . . A . 44 ALA HB3 . . . . . . . . . rr_1kwj 1 . 1 . 627 . 1 1 44 ALA N N 0.904 6.312 -4.585 . . . 1.0 . . . . . . . . . . . . A . 44 ALA N . . . . . . . . . rr_1kwj 1 . 1 . 628 . 1 1 44 ALA O O 3.797 5.033 -2.815 . . . 1.0 . . . . . . . . . . . . A . 44 ALA O . . . . . . . . . rr_1kwj 1 . 1 . 629 . 1 1 45 HIS C C 4.929 8.571 -3.193 . . . 1.0 . . . . . . . . . . . . A . 45 HIS C . . . . . . . . . rr_1kwj 1 . 1 . 630 . 1 1 45 HIS CA C 4.959 7.291 -4.035 . . . 1.0 . . . . . . . . . . . . A . 45 HIS CA . . . . . . . . . rr_1kwj 1 . 1 . 631 . 1 1 45 HIS CB C 5.628 7.561 -5.377 . . . 1.0 . . . . . . . . . . . . A . 45 HIS CB . . . . . . . . . rr_1kwj 1 . 1 . 632 . 1 1 45 HIS CD2 C 6.089 5.056 -5.899 . . . 1.0 . . . . . . . . . . . . A . 45 HIS CD2 . . . . . . . . . rr_1kwj 1 . 1 . 633 . 1 1 45 HIS CE1 C 6.034 5.182 -8.082 . . . 1.0 . . . . . . . . . . . . A . 45 HIS CE1 . . . . . . . . . rr_1kwj 1 . 1 . 634 . 1 1 45 HIS CG C 5.804 6.352 -6.257 . . . 1.0 . . . . . . . . . . . . A . 45 HIS CG . . . . . . . . . rr_1kwj 1 . 1 . 635 . 1 1 45 HIS H H 3.046 7.194 -4.959 . . . 1.0 . . . . . . . . . . . . A . 45 HIS H . . . . . . . . . rr_1kwj 1 . 1 . 636 . 1 1 45 HIS HA H 5.572 6.567 -3.503 . . . 1.0 . . . . . . . . . . . . A . 45 HIS HA . . . . . . . . . rr_1kwj 1 . 1 . 637 . 1 1 45 HIS HB2 H 5.025 8.294 -5.917 . . . 1.0 . . . . . . . . . . . . A . 45 HIS HB2 . . . . . . . . . rr_1kwj 1 . 1 . 638 . 1 1 45 HIS HB3 H 6.610 8.003 -5.208 . . . 1.0 . . . . . . . . . . . . A . 45 HIS HB3 . . . . . . . . . rr_1kwj 1 . 1 . 639 . 1 1 45 HIS HD1 H 5.471 7.216 -8.163 . . . 1.0 . . . . . . . . . . . . A . 45 HIS HD1 . . . . . . . . . rr_1kwj 1 . 1 . 640 . 1 1 45 HIS HD2 H 6.189 4.685 -4.892 . . . 1.0 . . . . . . . . . . . . A . 45 HIS HD2 . . . . . . . . . rr_1kwj 1 . 1 . 641 . 1 1 45 HIS HE1 H 6.069 4.965 -9.134 . . . 1.0 . . . . . . . . . . . . A . 45 HIS HE1 . . . . . . . . . rr_1kwj 1 . 1 . 642 . 1 1 45 HIS N N 3.630 6.745 -4.266 . . . 1.0 . . . . . . . . . . . . A . 45 HIS N . . . . . . . . . rr_1kwj 1 . 1 . 643 . 1 1 45 HIS ND1 N 5.765 6.407 -7.621 . . . 1.0 . . . . . . . . . . . . A . 45 HIS ND1 . . . . . . . . . rr_1kwj 1 . 1 . 644 . 1 1 45 HIS NE2 N 6.239 4.309 -7.078 . . . 1.0 . . . . . . . . . . . . A . 45 HIS NE2 . . . . . . . . . rr_1kwj 1 . 1 . 645 . 1 1 45 HIS O O 5.945 8.934 -2.604 . . . 1.0 . . . . . . . . . . . . A . 45 HIS O . . . . . . . . . rr_1kwj 1 . 1 . 646 . 1 1 46 LYS C C 3.458 10.270 -0.912 . . . 1.0 . . . . . . . . . . . . A . 46 LYS C . . . . . . . . . rr_1kwj 1 . 1 . 647 . 1 1 46 LYS CA C 3.667 10.514 -2.403 . . . 1.0 . . . . . . . . . . . . A . 46 LYS CA . . . . . . . . . rr_1kwj 1 . 1 . 648 . 1 1 46 LYS CB C 2.507 11.330 -2.990 . . . 1.0 . . . . . . . . . . . . A . 46 LYS CB . . . . . . . . . rr_1kwj 1 . 1 . 649 . 1 1 46 LYS CD C 1.486 13.602 -3.278 . . . 1.0 . . . . . . . . . . . . A . 46 LYS CD . . . . . . . . . rr_1kwj 1 . 1 . 650 . 1 1 46 LYS CE C 1.589 15.108 -3.001 . . . 1.0 . . . . . . . . . . . . A . 46 LYS CE . . . . . . . . . rr_1kwj 1 . 1 . 651 . 1 1 46 LYS CG C 2.604 12.807 -2.587 . . . 1.0 . . . . . . . . . . . . A . 46 LYS CG . . . . . . . . . rr_1kwj 1 . 1 . 652 . 1 1 46 LYS H H 2.958 8.878 -3.578 . . . 1.0 . . . . . . . . . . . . A . 46 LYS H . . . . . . . . . rr_1kwj 1 . 1 . 653 . 1 1 46 LYS HA H 4.588 11.085 -2.537 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HA . . . . . . . . . rr_1kwj 1 . 1 . 654 . 1 1 46 LYS HB2 H 2.560 11.256 -4.070 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HB2 . . . . . . . . . rr_1kwj 1 . 1 . 655 . 1 1 46 LYS HB3 H 1.545 10.921 -2.677 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HB3 . . . . . . . . . rr_1kwj 1 . 1 . 656 . 1 1 46 LYS HD2 H 1.577 13.446 -4.356 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HD2 . . . . . . . . . rr_1kwj 1 . 1 . 657 . 1 1 46 LYS HD3 H 0.511 13.218 -2.968 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HD3 . . . . . . . . . rr_1kwj 1 . 1 . 658 . 1 1 46 LYS HE2 H 2.598 15.450 -3.248 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HE2 . . . . . . . . . rr_1kwj 1 . 1 . 659 . 1 1 46 LYS HE3 H 0.890 15.631 -3.659 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HE3 . . . . . . . . . rr_1kwj 1 . 1 . 660 . 1 1 46 LYS HG2 H 2.531 12.885 -1.501 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HG2 . . . . . . . . . rr_1kwj 1 . 1 . 661 . 1 1 46 LYS HG3 H 3.575 13.192 -2.907 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HG3 . . . . . . . . . rr_1kwj 1 . 1 . 662 . 1 1 46 LYS HZ1 H 0.327 15.148 -1.370 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HZ1 . . . . . . . . . rr_1kwj 1 . 1 . 663 . 1 1 46 LYS HZ2 H 1.905 14.963 -0.965 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HZ2 . . . . . . . . . rr_1kwj 1 . 1 . 664 . 1 1 46 LYS HZ3 H 1.348 16.433 -1.441 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HZ3 . . . . . . . . . rr_1kwj 1 . 1 . 665 . 1 1 46 LYS N N 3.783 9.253 -3.123 . . . 1.0 . . . . . . . . . . . . A . 46 LYS N . . . . . . . . . rr_1kwj 1 . 1 . 666 . 1 1 46 LYS NZ N 1.270 15.436 -1.593 . . . 1.0 . . . . . . . . . . . . A . 46 LYS NZ . . . . . . . . . rr_1kwj 1 . 1 . 667 . 1 1 46 LYS O O 4.219 10.765 -0.081 . . . 1.0 . . . . . . . . . . . . A . 46 LYS O . . . . . . . . . rr_1kwj 1 . 1 . 668 . 1 1 47 ASP C C 1.148 8.169 1.051 . . . 1.0 . . . . . . . . . . . . A . 47 ASP C . . . . . . . . . rr_1kwj 1 . 1 . 669 . 1 1 47 ASP CA C 1.804 9.525 0.737 . . . 1.0 . . . . . . . . . . . . A . 47 ASP CA . . . . . . . . . rr_1kwj 1 . 1 . 670 . 1 1 47 ASP CB C 0.836 10.718 0.830 . . . 1.0 . . . . . . . . . . . . A . 47 ASP CB . . . . . . . . . rr_1kwj 1 . 1 . 671 . 1 1 47 ASP CG C 0.627 11.207 2.250 . . . 1.0 . . . . . . . . . . . . A . 47 ASP CG . . . . . . . . . rr_1kwj 1 . 1 . 672 . 1 1 47 ASP H H 1.852 9.170 -1.384 . . . 1.0 . . . . . . . . . . . . A . 47 ASP H . . . . . . . . . rr_1kwj 1 . 1 . 673 . 1 1 47 ASP HA H 2.609 9.664 1.462 . . . 1.0 . . . . . . . . . . . . A . 47 ASP HA . . . . . . . . . rr_1kwj 1 . 1 . 674 . 1 1 47 ASP HB2 H 1.252 11.566 0.290 . . . 1.0 . . . . . . . . . . . . A . 47 ASP HB2 . . . . . . . . . rr_1kwj 1 . 1 . 675 . 1 1 47 ASP HB3 H -0.135 10.477 0.401 . . . 1.0 . . . . . . . . . . . . A . 47 ASP HB3 . . . . . . . . . rr_1kwj 1 . 1 . 676 . 1 1 47 ASP N N 2.379 9.548 -0.602 . . . 1.0 . . . . . . . . . . . . A . 47 ASP N . . . . . . . . . rr_1kwj 1 . 1 . 677 . 1 1 47 ASP O O 1.574 7.455 1.962 . . . 1.0 . . . . . . . . . . . . A . 47 ASP O . . . . . . . . . rr_1kwj 1 . 1 . 678 . 1 1 47 ASP OD1 O 0.797 10.382 3.173 . . . 1.0 . . . . . . . . . . . . A . 47 ASP OD1 . . . . . . . . . rr_1kwj 1 . 1 . 679 . 1 1 47 ASP OD2 O 0.337 12.414 2.375 . . . 1.0 . . . . . . . . . . . . A . 47 ASP OD2 . . . . . . . . . rr_1kwj 1 . 1 . 680 . 1 1 48 ALA C C 0.588 5.348 0.269 . . . 1.0 . . . . . . . . . . . . A . 48 ALA C . . . . . . . . . rr_1kwj 1 . 1 . 681 . 1 1 48 ALA CA C -0.471 6.460 0.329 . . . 1.0 . . . . . . . . . . . . A . 48 ALA CA . . . . . . . . . rr_1kwj 1 . 1 . 682 . 1 1 48 ALA CB C -1.504 6.304 -0.790 . . . 1.0 . . . . . . . . . . . . A . 48 ALA CB . . . . . . . . . rr_1kwj 1 . 1 . 683 . 1 1 48 ALA H H -0.108 8.387 -0.515 . . . 1.0 . . . . . . . . . . . . A . 48 ALA H . . . . . . . . . rr_1kwj 1 . 1 . 684 . 1 1 48 ALA HA H -0.996 6.401 1.284 . . . 1.0 . . . . . . . . . . . . A . 48 ALA HA . . . . . . . . . rr_1kwj 1 . 1 . 685 . 1 1 48 ALA HB1 H -2.249 7.096 -0.717 . . . 1.0 . . . . . . . . . . . . A . 48 ALA HB1 . . . . . . . . . rr_1kwj 1 . 1 . 686 . 1 1 48 ALA HB2 H -1.012 6.357 -1.761 . . . 1.0 . . . . . . . . . . . . A . 48 ALA HB2 . . . . . . . . . rr_1kwj 1 . 1 . 687 . 1 1 48 ALA HB3 H -2.003 5.338 -0.697 . . . 1.0 . . . . . . . . . . . . A . 48 ALA HB3 . . . . . . . . . rr_1kwj 1 . 1 . 688 . 1 1 48 ALA N N 0.153 7.778 0.245 . . . 1.0 . . . . . . . . . . . . A . 48 ALA N . . . . . . . . . rr_1kwj 1 . 1 . 689 . 1 1 48 ALA O O 1.523 5.423 -0.528 . . . 1.0 . . . . . . . . . . . . A . 48 ALA O . . . . . . . . . rr_1kwj 1 . 1 . 690 . 1 1 49 CYS C C 2.752 3.897 2.067 . . . 1.0 . . . . . . . . . . . . A . 49 CYS C . . . . . . . . . rr_1kwj 1 . 1 . 691 . 1 1 49 CYS CA C 1.480 3.319 1.422 . . . 1.0 . . . . . . . . . . . . A . 49 CYS CA . . . . . . . . . rr_1kwj 1 . 1 . 692 . 1 1 49 CYS CB C 1.820 2.502 0.186 . . . 1.0 . . . . . . . . . . . . A . 49 CYS CB . . . . . . . . . rr_1kwj 1 . 1 . 693 . 1 1 49 CYS H H -0.328 4.386 1.770 . . . 1.0 . . . . . . . . . . . . A . 49 CYS H . . . . . . . . . rr_1kwj 1 . 1 . 694 . 1 1 49 CYS HA H 1.065 2.663 2.176 . . . 1.0 . . . . . . . . . . . . A . 49 CYS HA . . . . . . . . . rr_1kwj 1 . 1 . 695 . 1 1 49 CYS HB2 H 2.508 3.099 -0.409 . . . 1.0 . . . . . . . . . . . . A . 49 CYS HB2 . . . . . . . . . rr_1kwj 1 . 1 . 696 . 1 1 49 CYS HB3 H 2.356 1.604 0.482 . . . 1.0 . . . . . . . . . . . . A . 49 CYS HB3 . . . . . . . . . rr_1kwj 1 . 1 . 697 . 1 1 49 CYS N N 0.475 4.357 1.162 . . . 1.0 . . . . . . . . . . . . A . 49 CYS N . . . . . . . . . rr_1kwj 1 . 1 . 698 . 1 1 49 CYS O O 3.103 3.550 3.199 . . . 1.0 . . . . . . . . . . . . A . 49 CYS O . . . . . . . . . rr_1kwj 1 . 1 . 699 . 1 1 49 CYS SG S 0.455 2.115 -0.971 . . . 1.0 . . . . . . . . . . . . A . 49 CYS SG . . . . . . . . . rr_1kwj 1 . 1 . 700 . 1 1 50 LYS C C 4.664 5.899 3.205 . . . 1.0 . . . . . . . . . . . . A . 50 LYS C . . . . . . . . . rr_1kwj 1 . 1 . 701 . 1 1 50 LYS CA C 4.670 5.443 1.748 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CA . . . . . . . . . rr_1kwj 1 . 1 . 702 . 1 1 50 LYS CB C 4.932 6.629 0.818 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CB . . . . . . . . . rr_1kwj 1 . 1 . 703 . 1 1 50 LYS CD C 6.862 6.531 -0.862 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CD . . . . . . . . . rr_1kwj 1 . 1 . 704 . 1 1 50 LYS CE C 7.872 5.829 0.052 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CE . . . . . . . . . rr_1kwj 1 . 1 . 705 . 1 1 50 LYS CG C 5.402 6.159 -0.561 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CG . . . . . . . . . rr_1kwj 1 . 1 . 706 . 1 1 50 LYS H H 3.044 5.067 0.446 . . . 1.0 . . . . . . . . . . . . A . 50 LYS H . . . . . . . . . rr_1kwj 1 . 1 . 707 . 1 1 50 LYS HA H 5.486 4.728 1.642 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HA . . . . . . . . . rr_1kwj 1 . 1 . 708 . 1 1 50 LYS HB2 H 4.009 7.201 0.706 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HB2 . . . . . . . . . rr_1kwj 1 . 1 . 709 . 1 1 50 LYS HB3 H 5.673 7.289 1.256 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HB3 . . . . . . . . . rr_1kwj 1 . 1 . 710 . 1 1 50 LYS HD2 H 7.070 6.251 -1.896 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HD2 . . . . . . . . . rr_1kwj 1 . 1 . 711 . 1 1 50 LYS HD3 H 6.967 7.614 -0.773 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HD3 . . . . . . . . . rr_1kwj 1 . 1 . 712 . 1 1 50 LYS HE2 H 7.716 6.151 1.084 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HE2 . . . . . . . . . rr_1kwj 1 . 1 . 713 . 1 1 50 LYS HE3 H 7.711 4.749 0.004 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HE3 . . . . . . . . . rr_1kwj 1 . 1 . 714 . 1 1 50 LYS HG2 H 5.243 5.087 -0.690 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HG2 . . . . . . . . . rr_1kwj 1 . 1 . 715 . 1 1 50 LYS HG3 H 4.763 6.670 -1.277 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HG3 . . . . . . . . . rr_1kwj 1 . 1 . 716 . 1 1 50 LYS HZ1 H 9.925 5.729 0.266 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HZ1 . . . . . . . . . rr_1kwj 1 . 1 . 717 . 1 1 50 LYS HZ2 H 9.425 5.801 -1.299 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HZ2 . . . . . . . . . rr_1kwj 1 . 1 . 718 . 1 1 50 LYS HZ3 H 9.393 7.150 -0.373 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HZ3 . . . . . . . . . rr_1kwj 1 . 1 . 719 . 1 1 50 LYS N N 3.436 4.790 1.344 . . . 1.0 . . . . . . . . . . . . A . 50 LYS N . . . . . . . . . rr_1kwj 1 . 1 . 720 . 1 1 50 LYS NZ N 9.255 6.149 -0.365 . . . 1.0 . . . . . . . . . . . . A . 50 LYS NZ . . . . . . . . . rr_1kwj 1 . 1 . 721 . 1 1 50 LYS O O 5.487 5.427 3.977 . . . 1.0 . . . . . . . . . . . . A . 50 LYS O . . . . . . . . . rr_1kwj 1 . 1 . 722 . 1 1 51 THR C C 3.754 6.452 6.058 . . . 1.0 . . . . . . . . . . . . A . 51 THR C . . . . . . . . . rr_1kwj 1 . 1 . 723 . 1 1 51 THR CA C 3.855 7.464 4.910 . . . 1.0 . . . . . . . . . . . . A . 51 THR CA . . . . . . . . . rr_1kwj 1 . 1 . 724 . 1 1 51 THR CB C 2.804 8.575 5.003 . . . 1.0 . . . . . . . . . . . . A . 51 THR CB . . . . . . . . . rr_1kwj 1 . 1 . 725 . 1 1 51 THR CG2 C 2.796 9.263 6.369 . . . 1.0 . . . . . . . . . . . . A . 51 THR CG2 . . . . . . . . . rr_1kwj 1 . 1 . 726 . 1 1 51 THR H H 3.105 7.166 2.921 . . . 1.0 . . . . . . . . . . . . A . 51 THR H . . . . . . . . . rr_1kwj 1 . 1 . 727 . 1 1 51 THR HA H 4.828 7.947 4.998 . . . 1.0 . . . . . . . . . . . . A . 51 THR HA . . . . . . . . . rr_1kwj 1 . 1 . 728 . 1 1 51 THR HB H 1.811 8.172 4.787 . . . 1.0 . . . . . . . . . . . . A . 51 THR HB . . . . . . . . . rr_1kwj 1 . 1 . 729 . 1 1 51 THR HG1 H 2.304 9.974 3.762 . . . 1.0 . . . . . . . . . . . . A . 51 THR HG1 . . . . . . . . . rr_1kwj 1 . 1 . 730 . 1 1 51 THR HG21 H 3.797 9.621 6.610 . . . 1.0 . . . . . . . . . . . . A . 51 THR HG21 . . . . . . . . . rr_1kwj 1 . 1 . 731 . 1 1 51 THR HG22 H 2.115 10.114 6.334 . . . 1.0 . . . . . . . . . . . . A . 51 THR HG22 . . . . . . . . . rr_1kwj 1 . 1 . 732 . 1 1 51 THR HG23 H 2.458 8.578 7.146 . . . 1.0 . . . . . . . . . . . . A . 51 THR HG23 . . . . . . . . . rr_1kwj 1 . 1 . 733 . 1 1 51 THR N N 3.793 6.830 3.590 . . . 1.0 . . . . . . . . . . . . A . 51 THR N . . . . . . . . . rr_1kwj 1 . 1 . 734 . 1 1 51 THR O O 4.489 6.550 7.040 . . . 1.0 . . . . . . . . . . . . A . 51 THR O . . . . . . . . . rr_1kwj 1 . 1 . 735 . 1 1 51 THR OG1 O 3.137 9.550 4.041 . . . 1.0 . . . . . . . . . . . . A . 51 THR OG1 . . . . . . . . . rr_1kwj 1 . 1 . 736 . 1 1 52 CYS C C 4.156 3.597 6.950 . . . 1.0 . . . . . . . . . . . . A . 52 CYS C . . . . . . . . . rr_1kwj 1 . 1 . 737 . 1 1 52 CYS CA C 2.824 4.351 6.896 . . . 1.0 . . . . . . . . . . . . A . 52 CYS CA . . . . . . . . . rr_1kwj 1 . 1 . 738 . 1 1 52 CYS CB C 1.676 3.437 6.570 . . . 1.0 . . . . . . . . . . . . A . 52 CYS CB . . . . . . . . . rr_1kwj 1 . 1 . 739 . 1 1 52 CYS H H 2.363 5.371 5.065 . . . 1.0 . . . . . . . . . . . . A . 52 CYS H . . . . . . . . . rr_1kwj 1 . 1 . 740 . 1 1 52 CYS HA H 2.644 4.770 7.888 . . . 1.0 . . . . . . . . . . . . A . 52 CYS HA . . . . . . . . . rr_1kwj 1 . 1 . 741 . 1 1 52 CYS HB2 H 0.762 4.028 6.523 . . . 1.0 . . . . . . . . . . . . A . 52 CYS HB2 . . . . . . . . . rr_1kwj 1 . 1 . 742 . 1 1 52 CYS HB3 H 1.848 2.958 5.607 . . . 1.0 . . . . . . . . . . . . A . 52 CYS HB3 . . . . . . . . . rr_1kwj 1 . 1 . 743 . 1 1 52 CYS N N 2.889 5.443 5.925 . . . 1.0 . . . . . . . . . . . . A . 52 CYS N . . . . . . . . . rr_1kwj 1 . 1 . 744 . 1 1 52 CYS O O 4.767 3.478 8.009 . . . 1.0 . . . . . . . . . . . . A . 52 CYS O . . . . . . . . . rr_1kwj 1 . 1 . 745 . 1 1 52 CYS SG S 1.518 2.186 7.875 . . . 1.0 . . . . . . . . . . . . A . 52 CYS SG . . . . . . . . . rr_1kwj 1 . 1 . 746 . 1 1 53 HIS C C 7.079 3.344 6.353 . . . 1.0 . . . . . . . . . . . . A . 53 HIS C . . . . . . . . . rr_1kwj 1 . 1 . 747 . 1 1 53 HIS CA C 5.954 2.503 5.695 . . . 1.0 . . . . . . . . . . . . A . 53 HIS CA . . . . . . . . . rr_1kwj 1 . 1 . 748 . 1 1 53 HIS CB C 6.211 2.184 4.214 . . . 1.0 . . . . . . . . . . . . A . 53 HIS CB . . . . . . . . . rr_1kwj 1 . 1 . 749 . 1 1 53 HIS CD2 C 4.385 0.352 4.198 . . . 1.0 . . . . . . . . . . . . A . 53 HIS CD2 . . . . . . . . . rr_1kwj 1 . 1 . 750 . 1 1 53 HIS CE1 C 4.971 -0.719 2.392 . . . 1.0 . . . . . . . . . . . . A . 53 HIS CE1 . . . . . . . . . rr_1kwj 1 . 1 . 751 . 1 1 53 HIS CG C 5.495 0.968 3.688 . . . 1.0 . . . . . . . . . . . . A . 53 HIS CG . . . . . . . . . rr_1kwj 1 . 1 . 752 . 1 1 53 HIS H H 4.112 3.301 4.942 . . . 1.0 . . . . . . . . . . . . A . 53 HIS H . . . . . . . . . rr_1kwj 1 . 1 . 753 . 1 1 53 HIS HA H 5.920 1.563 6.249 . . . 1.0 . . . . . . . . . . . . A . 53 HIS HA . . . . . . . . . rr_1kwj 1 . 1 . 754 . 1 1 53 HIS HB2 H 5.895 3.025 3.601 . . . 1.0 . . . . . . . . . . . . A . 53 HIS HB2 . . . . . . . . . rr_1kwj 1 . 1 . 755 . 1 1 53 HIS HB3 H 7.282 2.050 4.068 . . . 1.0 . . . . . . . . . . . . A . 53 HIS HB3 . . . . . . . . . rr_1kwj 1 . 1 . 756 . 1 1 53 HIS HD1 H 6.636 0.489 1.958 . . . 1.0 . . . . . . . . . . . . A . 53 HIS HD1 . . . . . . . . . rr_1kwj 1 . 1 . 757 . 1 1 53 HIS HD2 H 3.843 0.642 5.082 . . . 1.0 . . . . . . . . . . . . A . 53 HIS HD2 . . . . . . . . . rr_1kwj 1 . 1 . 758 . 1 1 53 HIS HE1 H 5.004 -1.425 1.578 . . . 1.0 . . . . . . . . . . . . A . 53 HIS HE1 . . . . . . . . . rr_1kwj 1 . 1 . 759 . 1 1 53 HIS N N 4.648 3.144 5.793 . . . 1.0 . . . . . . . . . . . . A . 53 HIS N . . . . . . . . . rr_1kwj 1 . 1 . 760 . 1 1 53 HIS ND1 N 5.850 0.287 2.556 . . . 1.0 . . . . . . . . . . . . A . 53 HIS ND1 . . . . . . . . . rr_1kwj 1 . 1 . 761 . 1 1 53 HIS NE2 N 4.051 -0.736 3.370 . . . 1.0 . . . . . . . . . . . . A . 53 HIS NE2 . . . . . . . . . rr_1kwj 1 . 1 . 762 . 1 1 53 HIS O O 7.806 2.836 7.203 . . . 1.0 . . . . . . . . . . . . A . 53 HIS O . . . . . . . . . rr_1kwj 1 . 1 . 763 . 1 1 54 LYS C C 7.947 5.661 8.135 . . . 1.0 . . . . . . . . . . . . A . 54 LYS C . . . . . . . . . rr_1kwj 1 . 1 . 764 . 1 1 54 LYS CA C 8.090 5.615 6.609 . . . 1.0 . . . . . . . . . . . . A . 54 LYS CA . . . . . . . . . rr_1kwj 1 . 1 . 765 . 1 1 54 LYS CB C 7.790 7.000 6.069 . . . 1.0 . . . . . . . . . . . . A . 54 LYS CB . . . . . . . . . rr_1kwj 1 . 1 . 766 . 1 1 54 LYS CD C 8.302 8.679 4.440 . . . 1.0 . . . . . . . . . . . . A . 54 LYS CD . . . . . . . . . rr_1kwj 1 . 1 . 767 . 1 1 54 LYS CE C 8.128 9.159 2.994 . . . 1.0 . . . . . . . . . . . . A . 54 LYS CE . . . . . . . . . rr_1kwj 1 . 1 . 768 . 1 1 54 LYS CG C 8.185 7.169 4.607 . . . 1.0 . . . . . . . . . . . . A . 54 LYS CG . . . . . . . . . rr_1kwj 1 . 1 . 769 . 1 1 54 LYS H H 6.536 4.964 5.311 . . . 1.0 . . . . . . . . . . . . A . 54 LYS H . . . . . . . . . rr_1kwj 1 . 1 . 770 . 1 1 54 LYS HA H 9.134 5.490 6.327 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HA . . . . . . . . . rr_1kwj 1 . 1 . 771 . 1 1 54 LYS HB2 H 6.743 7.257 6.213 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HB2 . . . . . . . . . rr_1kwj 1 . 1 . 772 . 1 1 54 LYS HB3 H 8.407 7.685 6.648 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HB3 . . . . . . . . . rr_1kwj 1 . 1 . 773 . 1 1 54 LYS HD2 H 7.530 9.131 5.064 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HD2 . . . . . . . . . rr_1kwj 1 . 1 . 774 . 1 1 54 LYS HD3 H 9.279 8.917 4.867 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HD3 . . . . . . . . . rr_1kwj 1 . 1 . 775 . 1 1 54 LYS HE2 H 9.023 8.910 2.418 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HE2 . . . . . . . . . rr_1kwj 1 . 1 . 776 . 1 1 54 LYS HE3 H 7.272 8.644 2.552 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HE3 . . . . . . . . . rr_1kwj 1 . 1 . 777 . 1 1 54 LYS HG2 H 9.147 6.691 4.424 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HG2 . . . . . . . . . rr_1kwj 1 . 1 . 778 . 1 1 54 LYS HG3 H 7.433 6.729 3.962 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HG3 . . . . . . . . . rr_1kwj 1 . 1 . 779 . 1 1 54 LYS HZ1 H 7.727 10.921 1.987 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HZ1 . . . . . . . . . rr_1kwj 1 . 1 . 780 . 1 1 54 LYS HZ2 H 7.017 10.829 3.459 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HZ2 . . . . . . . . . rr_1kwj 1 . 1 . 781 . 1 1 54 LYS HZ3 H 8.630 11.131 3.348 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HZ3 . . . . . . . . . rr_1kwj 1 . 1 . 782 . 1 1 54 LYS N N 7.206 4.625 5.984 . . . 1.0 . . . . . . . . . . . . A . 54 LYS N . . . . . . . . . rr_1kwj 1 . 1 . 783 . 1 1 54 LYS NZ N 7.861 10.615 2.941 . . . 1.0 . . . . . . . . . . . . A . 54 LYS NZ . . . . . . . . . rr_1kwj 1 . 1 . 784 . 1 1 54 LYS O O 8.939 5.729 8.854 . . . 1.0 . . . . . . . . . . . . A . 54 LYS O . . . . . . . . . rr_1kwj 1 . 1 . 785 . 1 1 55 SER C C 6.856 4.534 10.850 . . . 1.0 . . . . . . . . . . . . A . 55 SER C . . . . . . . . . rr_1kwj 1 . 1 . 786 . 1 1 55 SER CA C 6.409 5.766 10.051 . . . 1.0 . . . . . . . . . . . . A . 55 SER CA . . . . . . . . . rr_1kwj 1 . 1 . 787 . 1 1 55 SER CB C 4.909 5.999 10.259 . . . 1.0 . . . . . . . . . . . . A . 55 SER CB . . . . . . . . . rr_1kwj 1 . 1 . 788 . 1 1 55 SER H H 5.922 5.657 7.973 . . . 1.0 . . . . . . . . . . . . A . 55 SER H . . . . . . . . . rr_1kwj 1 . 1 . 789 . 1 1 55 SER HA H 6.937 6.631 10.455 . . . 1.0 . . . . . . . . . . . . A . 55 SER HA . . . . . . . . . rr_1kwj 1 . 1 . 790 . 1 1 55 SER HB2 H 4.579 6.849 9.659 . . . 1.0 . . . . . . . . . . . . A . 55 SER HB2 . . . . . . . . . rr_1kwj 1 . 1 . 791 . 1 1 55 SER HB3 H 4.351 5.113 9.950 . . . 1.0 . . . . . . . . . . . . A . 55 SER HB3 . . . . . . . . . rr_1kwj 1 . 1 . 792 . 1 1 55 SER HG H 5.199 5.687 12.171 . . . 1.0 . . . . . . . . . . . . A . 55 SER HG . . . . . . . . . rr_1kwj 1 . 1 . 793 . 1 1 55 SER N N 6.703 5.678 8.624 . . . 1.0 . . . . . . . . . . . . A . 55 SER N . . . . . . . . . rr_1kwj 1 . 1 . 794 . 1 1 55 SER O O 6.809 4.568 12.081 . . . 1.0 . . . . . . . . . . . . A . 55 SER O . . . . . . . . . rr_1kwj 1 . 1 . 795 . 1 1 55 SER OG O 4.658 6.275 11.625 . . . 1.0 . . . . . . . . . . . . A . 55 SER OG . . . . . . . . . rr_1kwj 1 . 1 . 796 . 1 1 56 ASN C C 9.084 1.851 10.149 . . . 1.0 . . . . . . . . . . . . A . 56 ASN C . . . . . . . . . rr_1kwj 1 . 1 . 797 . 1 1 56 ASN CA C 7.763 2.238 10.832 . . . 1.0 . . . . . . . . . . . . A . 56 ASN CA . . . . . . . . . rr_1kwj 1 . 1 . 798 . 1 1 56 ASN CB C 6.725 1.104 10.726 . . . 1.0 . . . . . . . . . . . . A . 56 ASN CB . . . . . . . . . rr_1kwj 1 . 1 . 799 . 1 1 56 ASN CG C 5.339 1.407 11.298 . . . 1.0 . . . . . . . . . . . . A . 56 ASN CG . . . . . . . . . rr_1kwj 1 . 1 . 800 . 1 1 56 ASN H H 7.277 3.438 9.180 . . . 1.0 . . . . . . . . . . . . A . 56 ASN H . . . . . . . . . rr_1kwj 1 . 1 . 801 . 1 1 56 ASN HA H 7.996 2.418 11.883 . . . 1.0 . . . . . . . . . . . . A . 56 ASN HA . . . . . . . . . rr_1kwj 1 . 1 . 802 . 1 1 56 ASN HB2 H 6.599 0.839 9.675 . . . 1.0 . . . . . . . . . . . . A . 56 ASN HB2 . . . . . . . . . rr_1kwj 1 . 1 . 803 . 1 1 56 ASN HB3 H 7.086 0.227 11.262 . . . 1.0 . . . . . . . . . . . . A . 56 ASN HB3 . . . . . . . . . rr_1kwj 1 . 1 . 804 . 1 1 56 ASN HD21 H 5.986 2.926 12.506 . . . 1.0 . . . . . . . . . . . . A . 56 ASN HD21 . . . . . . . . . rr_1kwj 1 . 1 . 805 . 1 1 56 ASN HD22 H 4.284 2.487 12.603 . . . 1.0 . . . . . . . . . . . . A . 56 ASN HD22 . . . . . . . . . rr_1kwj 1 . 1 . 806 . 1 1 56 ASN N N 7.235 3.433 10.192 . . . 1.0 . . . . . . . . . . . . A . 56 ASN N . . . . . . . . . rr_1kwj 1 . 1 . 807 . 1 1 56 ASN ND2 N 5.211 2.324 12.247 . . . 1.0 . . . . . . . . . . . . A . 56 ASN ND2 . . . . . . . . . rr_1kwj 1 . 1 . 808 . 1 1 56 ASN O O 9.623 2.579 9.320 . . . 1.0 . . . . . . . . . . . . A . 56 ASN O . . . . . . . . . rr_1kwj 1 . 1 . 809 . 1 1 56 ASN OD1 O 4.362 0.781 10.908 . . . 1.0 . . . . . . . . . . . . A . 56 ASN OD1 . . . . . . . . . rr_1kwj 1 . 1 . 810 . 1 1 57 ASN C C 10.345 -0.491 8.398 . . . 1.0 . . . . . . . . . . . . A . 57 ASN C . . . . . . . . . rr_1kwj 1 . 1 . 811 . 1 1 57 ASN CA C 10.757 0.102 9.756 . . . 1.0 . . . . . . . . . . . . A . 57 ASN CA . . . . . . . . . rr_1kwj 1 . 1 . 812 . 1 1 57 ASN CB C 11.434 -0.933 10.665 . . . 1.0 . . . . . . . . . . . . A . 57 ASN CB . . . . . . . . . rr_1kwj 1 . 1 . 813 . 1 1 57 ASN CG C 11.792 -0.330 12.018 . . . 1.0 . . . . . . . . . . . . A . 57 ASN CG . . . . . . . . . rr_1kwj 1 . 1 . 814 . 1 1 57 ASN H H 9.096 0.097 11.113 . . . 1.0 . . . . . . . . . . . . A . 57 ASN H . . . . . . . . . rr_1kwj 1 . 1 . 815 . 1 1 57 ASN HA H 11.486 0.892 9.563 . . . 1.0 . . . . . . . . . . . . A . 57 ASN HA . . . . . . . . . rr_1kwj 1 . 1 . 816 . 1 1 57 ASN HB2 H 10.775 -1.790 10.810 . . . 1.0 . . . . . . . . . . . . A . 57 ASN HB2 . . . . . . . . . rr_1kwj 1 . 1 . 817 . 1 1 57 ASN HB3 H 12.353 -1.278 10.190 . . . 1.0 . . . . . . . . . . . . A . 57 ASN HB3 . . . . . . . . . rr_1kwj 1 . 1 . 818 . 1 1 57 ASN HD21 H 10.173 -1.168 12.936 . . . 1.0 . . . . . . . . . . . . A . 57 ASN HD21 . . . . . . . . . rr_1kwj 1 . 1 . 819 . 1 1 57 ASN HD22 H 11.219 -0.154 13.921 . . . 1.0 . . . . . . . . . . . . A . 57 ASN HD22 . . . . . . . . . rr_1kwj 1 . 1 . 820 . 1 1 57 ASN N N 9.593 0.658 10.444 . . . 1.0 . . . . . . . . . . . . A . 57 ASN N . . . . . . . . . rr_1kwj 1 . 1 . 821 . 1 1 57 ASN ND2 N 10.975 -0.569 13.037 . . . 1.0 . . . . . . . . . . . . A . 57 ASN ND2 . . . . . . . . . rr_1kwj 1 . 1 . 822 . 1 1 57 ASN O O 10.614 -1.656 8.114 . . . 1.0 . . . . . . . . . . . . A . 57 ASN O . . . . . . . . . rr_1kwj 1 . 1 . 823 . 1 1 57 ASN OD1 O 12.791 0.361 12.159 . . . 1.0 . . . . . . . . . . . . A . 57 ASN OD1 . . . . . . . . . rr_1kwj 1 . 1 . 824 . 1 1 58 GLY C C 10.223 -0.487 5.265 . . . 1.0 . . . . . . . . . . . . A . 58 GLY C . . . . . . . . . rr_1kwj 1 . 1 . 825 . 1 1 58 GLY CA C 9.125 -0.194 6.297 . . . 1.0 . . . . . . . . . . . . A . 58 GLY CA . . . . . . . . . rr_1kwj 1 . 1 . 826 . 1 1 58 GLY H H 9.476 1.261 7.834 . . . 1.0 . . . . . . . . . . . . A . 58 GLY H . . . . . . . . . rr_1kwj 1 . 1 . 827 . 1 1 58 GLY HA2 H 8.547 -1.098 6.493 . . . 1.0 . . . . . . . . . . . . A . 58 GLY HA2 . . . . . . . . . rr_1kwj 1 . 1 . 828 . 1 1 58 GLY HA3 H 8.457 0.559 5.880 . . . 1.0 . . . . . . . . . . . . A . 58 GLY HA3 . . . . . . . . . rr_1kwj 1 . 1 . 829 . 1 1 58 GLY N N 9.654 0.295 7.565 . . . 1.0 . . . . . . . . . . . . A . 58 GLY N . . . . . . . . . rr_1kwj 1 . 1 . 830 . 1 1 58 GLY O O 11.353 -0.011 5.397 . . . 1.0 . . . . . . . . . . . . A . 58 GLY O . . . . . . . . . rr_1kwj 1 . 1 . 831 . 1 1 59 PRO C C 11.044 -0.293 2.241 . . . 1.0 . . . . . . . . . . . . A . 59 PRO C . . . . . . . . . rr_1kwj 1 . 1 . 832 . 1 1 59 PRO CA C 10.835 -1.537 3.123 . . . 1.0 . . . . . . . . . . . . A . 59 PRO CA . . . . . . . . . rr_1kwj 1 . 1 . 833 . 1 1 59 PRO CB C 10.205 -2.726 2.394 . . . 1.0 . . . . . . . . . . . . A . 59 PRO CB . . . . . . . . . rr_1kwj 1 . 1 . 834 . 1 1 59 PRO CD C 8.627 -1.908 3.976 . . . 1.0 . . . . . . . . . . . . A . 59 PRO CD . . . . . . . . . rr_1kwj 1 . 1 . 835 . 1 1 59 PRO CG C 8.707 -2.477 2.559 . . . 1.0 . . . . . . . . . . . . A . 59 PRO CG . . . . . . . . . rr_1kwj 1 . 1 . 836 . 1 1 59 PRO HA H 11.804 -1.847 3.520 . . . 1.0 . . . . . . . . . . . . A . 59 PRO HA . . . . . . . . . rr_1kwj 1 . 1 . 837 . 1 1 59 PRO HB2 H 10.504 -2.805 1.353 . . . 1.0 . . . . . . . . . . . . A . 59 PRO HB2 . . . . . . . . . rr_1kwj 1 . 1 . 838 . 1 1 59 PRO HB3 H 10.468 -3.648 2.916 . . . 1.0 . . . . . . . . . . . . A . 59 PRO HB3 . . . . . . . . . rr_1kwj 1 . 1 . 839 . 1 1 59 PRO HD2 H 7.776 -1.232 4.068 . . . 1.0 . . . . . . . . . . . . A . 59 PRO HD2 . . . . . . . . . rr_1kwj 1 . 1 . 840 . 1 1 59 PRO HD3 H 8.524 -2.733 4.684 . . . 1.0 . . . . . . . . . . . . A . 59 PRO HD3 . . . . . . . . . rr_1kwj 1 . 1 . 841 . 1 1 59 PRO HG2 H 8.382 -1.730 1.833 . . . 1.0 . . . . . . . . . . . . A . 59 PRO HG2 . . . . . . . . . rr_1kwj 1 . 1 . 842 . 1 1 59 PRO HG3 H 8.124 -3.392 2.440 . . . 1.0 . . . . . . . . . . . . A . 59 PRO HG3 . . . . . . . . . rr_1kwj 1 . 1 . 843 . 1 1 59 PRO N N 9.902 -1.240 4.200 . . . 1.0 . . . . . . . . . . . . A . 59 PRO N . . . . . . . . . rr_1kwj 1 . 1 . 844 . 1 1 59 PRO O O 10.555 -0.203 1.115 . . . 1.0 . . . . . . . . . . . . A . 59 PRO O . . . . . . . . . rr_1kwj 1 . 1 . 845 . 1 1 60 THR C C 13.001 1.898 0.979 . . . 1.0 . . . . . . . . . . . . A . 60 THR C . . . . . . . . . rr_1kwj 1 . 1 . 846 . 1 1 60 THR CA C 12.044 2.000 2.176 . . . 1.0 . . . . . . . . . . . . A . 60 THR CA . . . . . . . . . rr_1kwj 1 . 1 . 847 . 1 1 60 THR CB C 12.572 2.928 3.287 . . . 1.0 . . . . . . . . . . . . A . 60 THR CB . . . . . . . . . rr_1kwj 1 . 1 . 848 . 1 1 60 THR CG2 C 12.763 4.388 2.866 . . . 1.0 . . . . . . . . . . . . A . 60 THR CG2 . . . . . . . . . rr_1kwj 1 . 1 . 849 . 1 1 60 THR H H 12.030 0.577 3.752 . . . 1.0 . . . . . . . . . . . . A . 60 THR H . . . . . . . . . rr_1kwj 1 . 1 . 850 . 1 1 60 THR HA H 11.101 2.416 1.818 . . . 1.0 . . . . . . . . . . . . A . 60 THR HA . . . . . . . . . rr_1kwj 1 . 1 . 851 . 1 1 60 THR HB H 13.518 2.531 3.665 . . . 1.0 . . . . . . . . . . . . A . 60 THR HB . . . . . . . . . rr_1kwj 1 . 1 . 852 . 1 1 60 THR HG1 H 12.055 3.114 5.164 . . . 1.0 . . . . . . . . . . . . A . 60 THR HG1 . . . . . . . . . rr_1kwj 1 . 1 . 853 . 1 1 60 THR HG21 H 11.835 4.777 2.450 . . . 1.0 . . . . . . . . . . . . A . 60 THR HG21 . . . . . . . . . rr_1kwj 1 . 1 . 854 . 1 1 60 THR HG22 H 13.031 4.976 3.745 . . . 1.0 . . . . . . . . . . . . A . 60 THR HG22 . . . . . . . . . rr_1kwj 1 . 1 . 855 . 1 1 60 THR HG23 H 13.564 4.490 2.135 . . . 1.0 . . . . . . . . . . . . A . 60 THR HG23 . . . . . . . . . rr_1kwj 1 . 1 . 856 . 1 1 60 THR N N 11.775 0.690 2.774 . . . 1.0 . . . . . . . . . . . . A . 60 THR N . . . . . . . . . rr_1kwj 1 . 1 . 857 . 1 1 60 THR O O 14.125 2.393 1.016 . . . 1.0 . . . . . . . . . . . . A . 60 THR O . . . . . . . . . rr_1kwj 1 . 1 . 858 . 1 1 60 THR OG1 O 11.615 2.939 4.327 . . . 1.0 . . . . . . . . . . . . A . 60 THR OG1 . . . . . . . . . rr_1kwj 1 . 1 . 859 . 1 1 61 LYS C C 12.422 0.539 -2.430 . . . 1.0 . . . . . . . . . . . . A . 61 LYS C . . . . . . . . . rr_1kwj 1 . 1 . 860 . 1 1 61 LYS CA C 13.352 0.957 -1.285 . . . 1.0 . . . . . . . . . . . . A . 61 LYS CA . . . . . . . . . rr_1kwj 1 . 1 . 861 . 1 1 61 LYS CB C 14.336 -0.170 -0.932 . . . 1.0 . . . . . . . . . . . . A . 61 LYS CB . . . . . . . . . rr_1kwj 1 . 1 . 862 . 1 1 61 LYS CD C 16.497 -1.329 -1.295 . . . 1.0 . . . . . . . . . . . . A . 61 LYS CD . . . . . . . . . rr_1kwj 1 . 1 . 863 . 1 1 61 LYS CE C 17.759 -1.480 -2.152 . . . 1.0 . . . . . . . . . . . . A . 61 LYS CE . . . . . . . . . rr_1kwj 1 . 1 . 864 . 1 1 61 LYS CG C 15.516 -0.313 -1.900 . . . 1.0 . . . . . . . . . . . . A . 61 LYS CG . . . . . . . . . rr_1kwj 1 . 1 . 865 . 1 1 61 LYS H H 11.649 0.785 -0.019 . . . 1.0 . . . . . . . . . . . . A . 61 LYS H . . . . . . . . . rr_1kwj 1 . 1 . 866 . 1 1 61 LYS HA H 13.900 1.857 -1.570 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HA . . . . . . . . . rr_1kwj 1 . 1 . 867 . 1 1 61 LYS HB2 H 14.752 0.034 0.054 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HB2 . . . . . . . . . rr_1kwj 1 . 1 . 868 . 1 1 61 LYS HB3 H 13.789 -1.112 -0.882 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HB3 . . . . . . . . . rr_1kwj 1 . 1 . 869 . 1 1 61 LYS HD2 H 16.778 -0.983 -0.296 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HD2 . . . . . . . . . rr_1kwj 1 . 1 . 870 . 1 1 61 LYS HD3 H 15.989 -2.292 -1.196 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HD3 . . . . . . . . . rr_1kwj 1 . 1 . 871 . 1 1 61 LYS HE2 H 17.481 -1.868 -3.136 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HE2 . . . . . . . . . rr_1kwj 1 . 1 . 872 . 1 1 61 LYS HE3 H 18.218 -0.497 -2.289 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HE3 . . . . . . . . . rr_1kwj 1 . 1 . 873 . 1 1 61 LYS HG2 H 15.167 -0.654 -2.876 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HG2 . . . . . . . . . rr_1kwj 1 . 1 . 874 . 1 1 61 LYS HG3 H 16.009 0.656 -2.009 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HG3 . . . . . . . . . rr_1kwj 1 . 1 . 875 . 1 1 61 LYS HZ1 H 18.328 -3.307 -1.381 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HZ1 . . . . . . . . . rr_1kwj 1 . 1 . 876 . 1 1 61 LYS HZ2 H 19.006 -2.028 -0.606 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HZ2 . . . . . . . . . rr_1kwj 1 . 1 . 877 . 1 1 61 LYS HZ3 H 19.563 -2.480 -2.084 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HZ3 . . . . . . . . . rr_1kwj 1 . 1 . 878 . 1 1 61 LYS N N 12.554 1.245 -0.097 . . . 1.0 . . . . . . . . . . . . A . 61 LYS N . . . . . . . . . rr_1kwj 1 . 1 . 879 . 1 1 61 LYS NZ N 18.734 -2.390 -1.511 . . . 1.0 . . . . . . . . . . . . A . 61 LYS NZ . . . . . . . . . rr_1kwj 1 . 1 . 880 . 1 1 61 LYS O O 11.398 -0.094 -2.184 . . . 1.0 . . . . . . . . . . . . A . 61 LYS O . . . . . . . . . rr_1kwj 1 . 1 . 881 . 1 1 62 CYS C C 11.600 -0.977 -4.881 . . . 1.0 . . . . . . . . . . . . A . 62 CYS C . . . . . . . . . rr_1kwj 1 . 1 . 882 . 1 1 62 CYS CA C 11.925 0.522 -4.844 . . . 1.0 . . . . . . . . . . . . A . 62 CYS CA . . . . . . . . . rr_1kwj 1 . 1 . 883 . 1 1 62 CYS CB C 12.588 0.967 -6.127 . . . 1.0 . . . . . . . . . . . . A . 62 CYS CB . . . . . . . . . rr_1kwj 1 . 1 . 884 . 1 1 62 CYS H H 13.600 1.400 -3.831 . . . 1.0 . . . . . . . . . . . . A . 62 CYS H . . . . . . . . . rr_1kwj 1 . 1 . 885 . 1 1 62 CYS HA H 10.976 1.044 -4.746 . . . 1.0 . . . . . . . . . . . . A . 62 CYS HA . . . . . . . . . rr_1kwj 1 . 1 . 886 . 1 1 62 CYS HB2 H 13.417 0.299 -6.359 . . . 1.0 . . . . . . . . . . . . A . 62 CYS HB2 . . . . . . . . . rr_1kwj 1 . 1 . 887 . 1 1 62 CYS HB3 H 11.869 0.910 -6.945 . . . 1.0 . . . . . . . . . . . . A . 62 CYS HB3 . . . . . . . . . rr_1kwj 1 . 1 . 888 . 1 1 62 CYS N N 12.762 0.857 -3.682 . . . 1.0 . . . . . . . . . . . . A . 62 CYS N . . . . . . . . . rr_1kwj 1 . 1 . 889 . 1 1 62 CYS O O 10.439 -1.384 -4.802 . . . 1.0 . . . . . . . . . . . . A . 62 CYS O . . . . . . . . . rr_1kwj 1 . 1 . 890 . 1 1 62 CYS SG S 13.283 2.648 -6.034 . . . 1.0 . . . . . . . . . . . . A . 62 CYS SG . . . . . . . . . rr_1kwj 1 . 1 . 891 . 1 1 63 GLY C C 11.962 -3.751 -3.477 . . . 1.0 . . . . . . . . . . . . A . 63 GLY C . . . . . . . . . rr_1kwj 1 . 1 . 892 . 1 1 63 GLY CA C 12.573 -3.251 -4.795 . . . 1.0 . . . . . . . . . . . . A . 63 GLY CA . . . . . . . . . rr_1kwj 1 . 1 . 893 . 1 1 63 GLY H H 13.569 -1.379 -4.975 . . . 1.0 . . . . . . . . . . . . A . 63 GLY H . . . . . . . . . rr_1kwj 1 . 1 . 894 . 1 1 63 GLY HA2 H 11.978 -3.618 -5.625 . . . 1.0 . . . . . . . . . . . . A . 63 GLY HA2 . . . . . . . . . rr_1kwj 1 . 1 . 895 . 1 1 63 GLY HA3 H 13.576 -3.667 -4.883 . . . 1.0 . . . . . . . . . . . . A . 63 GLY HA3 . . . . . . . . . rr_1kwj 1 . 1 . 896 . 1 1 63 GLY N N 12.655 -1.797 -4.903 . . . 1.0 . . . . . . . . . . . . A . 63 GLY N . . . . . . . . . rr_1kwj 1 . 1 . 897 . 1 1 63 GLY O O 11.635 -4.926 -3.351 . . . 1.0 . . . . . . . . . . . . A . 63 GLY O . . . . . . . . . rr_1kwj 1 . 1 . 898 . 1 1 64 GLY C C 9.579 -3.283 -1.469 . . . 1.0 . . . . . . . . . . . . A . 64 GLY C . . . . . . . . . rr_1kwj 1 . 1 . 899 . 1 1 64 GLY CA C 11.090 -3.141 -1.252 . . . 1.0 . . . . . . . . . . . . A . 64 GLY CA . . . . . . . . . rr_1kwj 1 . 1 . 900 . 1 1 64 GLY H H 12.025 -1.894 -2.647 . . . 1.0 . . . . . . . . . . . . A . 64 GLY H . . . . . . . . . rr_1kwj 1 . 1 . 901 . 1 1 64 GLY HA2 H 11.480 -4.045 -0.782 . . . 1.0 . . . . . . . . . . . . A . 64 GLY HA2 . . . . . . . . . rr_1kwj 1 . 1 . 902 . 1 1 64 GLY HA3 H 11.266 -2.292 -0.596 . . . 1.0 . . . . . . . . . . . . A . 64 GLY HA3 . . . . . . . . . rr_1kwj 1 . 1 . 903 . 1 1 64 GLY N N 11.804 -2.865 -2.488 . . . 1.0 . . . . . . . . . . . . A . 64 GLY N . . . . . . . . . rr_1kwj 1 . 1 . 904 . 1 1 64 GLY O O 8.910 -3.962 -0.694 . . . 1.0 . . . . . . . . . . . . A . 64 GLY O . . . . . . . . . rr_1kwj 1 . 1 . 905 . 1 1 65 CYS C C 7.578 -3.656 -4.242 . . . 1.0 . . . . . . . . . . . . A . 65 CYS C . . . . . . . . . rr_1kwj 1 . 1 . 906 . 1 1 65 CYS CA C 7.657 -2.829 -2.954 . . . 1.0 . . . . . . . . . . . . A . 65 CYS CA . . . . . . . . . rr_1kwj 1 . 1 . 907 . 1 1 65 CYS CB C 7.007 -1.487 -3.152 . . . 1.0 . . . . . . . . . . . . A . 65 CYS CB . . . . . . . . . rr_1kwj 1 . 1 . 908 . 1 1 65 CYS H H 9.660 -2.092 -3.110 . . . 1.0 . . . . . . . . . . . . A . 65 CYS H . . . . . . . . . rr_1kwj 1 . 1 . 909 . 1 1 65 CYS HA H 7.074 -3.370 -2.208 . . . 1.0 . . . . . . . . . . . . A . 65 CYS HA . . . . . . . . . rr_1kwj 1 . 1 . 910 . 1 1 65 CYS HB2 H 7.663 -0.848 -3.744 . . . 1.0 . . . . . . . . . . . . A . 65 CYS HB2 . . . . . . . . . rr_1kwj 1 . 1 . 911 . 1 1 65 CYS HB3 H 6.076 -1.621 -3.700 . . . 1.0 . . . . . . . . . . . . A . 65 CYS HB3 . . . . . . . . . rr_1kwj 1 . 1 . 912 . 1 1 65 CYS N N 9.046 -2.653 -2.524 . . . 1.0 . . . . . . . . . . . . A . 65 CYS N . . . . . . . . . rr_1kwj 1 . 1 . 913 . 1 1 65 CYS O O 6.800 -4.598 -4.332 . . . 1.0 . . . . . . . . . . . . A . 65 CYS O . . . . . . . . . rr_1kwj 1 . 1 . 914 . 1 1 65 CYS SG S 6.603 -0.686 -1.567 . . . 1.0 . . . . . . . . . . . . A . 65 CYS SG . . . . . . . . . rr_1kwj 1 . 1 . 915 . 1 1 66 HIS C C 9.128 -5.162 -6.708 . . . 1.0 . . . . . . . . . . . . A . 66 HIS C . . . . . . . . . rr_1kwj 1 . 1 . 916 . 1 1 66 HIS CA C 8.297 -3.870 -6.585 . . . 1.0 . . . . . . . . . . . . A . 66 HIS CA . . . . . . . . . rr_1kwj 1 . 1 . 917 . 1 1 66 HIS CB C 8.816 -2.799 -7.547 . . . 1.0 . . . . . . . . . . . . A . 66 HIS CB . . . . . . . . . rr_1kwj 1 . 1 . 918 . 1 1 66 HIS CD2 C 8.063 -0.377 -7.069 . . . 1.0 . . . . . . . . . . . . A . 66 HIS CD2 . . . . . . . . . rr_1kwj 1 . 1 . 919 . 1 1 66 HIS CE1 C 6.357 -0.298 -8.435 . . . 1.0 . . . . . . . . . . . . A . 66 HIS CE1 . . . . . . . . . rr_1kwj 1 . 1 . 920 . 1 1 66 HIS CG C 7.926 -1.603 -7.659 . . . 1.0 . . . . . . . . . . . . A . 66 HIS CG . . . . . . . . . rr_1kwj 1 . 1 . 921 . 1 1 66 HIS H H 9.018 -2.528 -5.103 . . . 1.0 . . . . . . . . . . . . A . 66 HIS H . . . . . . . . . rr_1kwj 1 . 1 . 922 . 1 1 66 HIS HA H 7.265 -4.101 -6.865 . . . 1.0 . . . . . . . . . . . . A . 66 HIS HA . . . . . . . . . rr_1kwj 1 . 1 . 923 . 1 1 66 HIS HB2 H 9.827 -2.505 -7.290 . . . 1.0 . . . . . . . . . . . . A . 66 HIS HB2 . . . . . . . . . rr_1kwj 1 . 1 . 924 . 1 1 66 HIS HB3 H 8.871 -3.240 -8.535 . . . 1.0 . . . . . . . . . . . . A . 66 HIS HB3 . . . . . . . . . rr_1kwj 1 . 1 . 925 . 1 1 66 HIS HD1 H 6.553 -2.282 -9.114 . . . 1.0 . . . . . . . . . . . . A . 66 HIS HD1 . . . . . . . . . rr_1kwj 1 . 1 . 926 . 1 1 66 HIS HD2 H 8.833 -0.088 -6.375 . . . 1.0 . . . . . . . . . . . . A . 66 HIS HD2 . . . . . . . . . rr_1kwj 1 . 1 . 927 . 1 1 66 HIS HE1 H 5.531 0.038 -9.039 . . . 1.0 . . . . . . . . . . . . A . 66 HIS HE1 . . . . . . . . . rr_1kwj 1 . 1 . 928 . 1 1 66 HIS N N 8.363 -3.287 -5.253 . . . 1.0 . . . . . . . . . . . . A . 66 HIS N . . . . . . . . . rr_1kwj 1 . 1 . 929 . 1 1 66 HIS ND1 N 6.859 -1.536 -8.500 . . . 1.0 . . . . . . . . . . . . A . 66 HIS ND1 . . . . . . . . . rr_1kwj 1 . 1 . 930 . 1 1 66 HIS NE2 N 7.053 0.464 -7.576 . . . 1.0 . . . . . . . . . . . . A . 66 HIS NE2 . . . . . . . . . rr_1kwj 1 . 1 . 931 . 1 1 66 HIS O O 10.339 -5.130 -6.497 . . . 1.0 . . . . . . . . . . . . A . 66 HIS O . . . . . . . . . rr_1kwj 1 . 1 . 932 . 1 1 67 ILE C C 10.305 -7.166 -8.604 . . . 1.0 . . . . . . . . . . . . A . 67 ILE C . . . . . . . . . rr_1kwj 1 . 1 . 933 . 1 1 67 ILE CA C 9.298 -7.477 -7.484 . . . 1.0 . . . . . . . . . . . . A . 67 ILE CA . . . . . . . . . rr_1kwj 1 . 1 . 934 . 1 1 67 ILE CB C 8.371 -8.631 -7.910 . . . 1.0 . . . . . . . . . . . . A . 67 ILE CB . . . . . . . . . rr_1kwj 1 . 1 . 935 . 1 1 67 ILE CD1 C 7.798 -9.321 -5.479 . . . 1.0 . . . . . . . . . . . . A . 67 ILE CD1 . . . . . . . . . rr_1kwj 1 . 1 . 936 . 1 1 67 ILE CG1 C 7.283 -8.954 -6.875 . . . 1.0 . . . . . . . . . . . . A . 67 ILE CG1 . . . . . . . . . rr_1kwj 1 . 1 . 937 . 1 1 67 ILE CG2 C 9.184 -9.895 -8.229 . . . 1.0 . . . . . . . . . . . . A . 67 ILE CG2 . . . . . . . . . rr_1kwj 1 . 1 . 938 . 1 1 67 ILE H H 7.518 -6.271 -7.279 . . . 1.0 . . . . . . . . . . . . A . 67 ILE H . . . . . . . . . rr_1kwj 1 . 1 . 939 . 1 1 67 ILE HA H 9.857 -7.790 -6.601 . . . 1.0 . . . . . . . . . . . . A . 67 ILE HA . . . . . . . . . rr_1kwj 1 . 1 . 940 . 1 1 67 ILE HB H 7.856 -8.333 -8.825 . . . 1.0 . . . . . . . . . . . . A . 67 ILE HB . . . . . . . . . rr_1kwj 1 . 1 . 941 . 1 1 67 ILE HD11 H 8.451 -10.192 -5.527 . . . 1.0 . . . . . . . . . . . . A . 67 ILE HD11 . . . . . . . . . rr_1kwj 1 . 1 . 942 . 1 1 67 ILE HD12 H 8.334 -8.483 -5.035 . . . 1.0 . . . . . . . . . . . . A . 67 ILE HD12 . . . . . . . . . rr_1kwj 1 . 1 . 943 . 1 1 67 ILE HD13 H 6.946 -9.560 -4.842 . . . 1.0 . . . . . . . . . . . . A . 67 ILE HD13 . . . . . . . . . rr_1kwj 1 . 1 . 944 . 1 1 67 ILE HG12 H 6.622 -8.097 -6.788 . . . 1.0 . . . . . . . . . . . . A . 67 ILE HG12 . . . . . . . . . rr_1kwj 1 . 1 . 945 . 1 1 67 ILE HG13 H 6.690 -9.786 -7.255 . . . 1.0 . . . . . . . . . . . . A . 67 ILE HG13 . . . . . . . . . rr_1kwj 1 . 1 . 946 . 1 1 67 ILE HG21 H 9.825 -10.162 -7.389 . . . 1.0 . . . . . . . . . . . . A . 67 ILE HG21 . . . . . . . . . rr_1kwj 1 . 1 . 947 . 1 1 67 ILE HG22 H 8.510 -10.725 -8.440 . . . 1.0 . . . . . . . . . . . . A . 67 ILE HG22 . . . . . . . . . rr_1kwj 1 . 1 . 948 . 1 1 67 ILE HG23 H 9.808 -9.736 -9.109 . . . 1.0 . . . . . . . . . . . . A . 67 ILE HG23 . . . . . . . . . rr_1kwj 1 . 1 . 949 . 1 1 67 ILE N N 8.525 -6.278 -7.135 . . . 1.0 . . . . . . . . . . . . A . 67 ILE N . . . . . . . . . rr_1kwj 1 . 1 . 950 . 1 1 67 ILE O O 9.919 -6.682 -9.666 . . . 1.0 . . . . . . . . . . . . A . 67 ILE O . . . . . . . . . rr_1kwj 1 . 1 . 951 . 1 1 68 LYS C C 13.837 -8.174 -9.057 . . . 1.0 . . . . . . . . . . . . A . 68 LYS C . . . . . . . . . rr_1kwj 1 . 1 . 952 . 1 1 68 LYS CA C 12.661 -7.241 -9.346 . . . 1.0 . . . . . . . . . . . . A . 68 LYS CA . . . . . . . . . rr_1kwj 1 . 1 . 953 . 1 1 68 LYS CB C 13.119 -5.774 -9.350 . . . 1.0 . . . . . . . . . . . . A . 68 LYS CB . . . . . . . . . rr_1kwj 1 . 1 . 954 . 1 1 68 LYS CD C 15.095 -4.852 -7.947 . . . 1.0 . . . . . . . . . . . . A . 68 LYS CD . . . . . . . . . rr_1kwj 1 . 1 . 955 . 1 1 68 LYS CE C 16.137 -5.984 -7.893 . . . 1.0 . . . . . . . . . . . . A . 68 LYS CE . . . . . . . . . rr_1kwj 1 . 1 . 956 . 1 1 68 LYS CG C 13.632 -5.335 -7.973 . . . 1.0 . . . . . . . . . . . . A . 68 LYS CG . . . . . . . . . rr_1kwj 1 . 1 . 957 . 1 1 68 LYS H H 11.875 -7.890 -7.514 . . . 1.0 . . . . . . . . . . . . A . 68 LYS H . . . . . . . . . rr_1kwj 1 . 1 . 958 . 1 1 68 LYS HA H 12.298 -7.469 -10.341 . . . 1.0 . . . . . . . . . . . . A . 68 LYS HA . . . . . . . . . rr_1kwj 1 . 1 . 959 . 1 1 68 LYS HB2 H 13.888 -5.635 -10.109 . . . 1.0 . . . . . . . . . . . . A . 68 LYS HB2 . . . . . . . . . rr_1kwj 1 . 1 . 960 . 1 1 68 LYS HB3 H 12.267 -5.149 -9.625 . . . 1.0 . . . . . . . . . . . . A . 68 LYS HB3 . . . . . . . . . rr_1kwj 1 . 1 . 961 . 1 1 68 LYS HD2 H 15.286 -4.169 -8.777 . . . 1.0 . . . . . . . . . . . . A . 68 LYS HD2 . . . . . . . . . rr_1kwj 1 . 1 . 962 . 1 1 68 LYS HD3 H 15.209 -4.280 -7.024 . . . 1.0 . . . . . . . . . . . . A . 68 LYS HD3 . . . . . . . . . rr_1kwj 1 . 1 . 963 . 1 1 68 LYS HE2 H 17.062 -5.585 -7.470 . . . 1.0 . . . . . . . . . . . . A . 68 LYS HE2 . . . . . . . . . rr_1kwj 1 . 1 . 964 . 1 1 68 LYS HE3 H 15.780 -6.776 -7.227 . . . 1.0 . . . . . . . . . . . . A . 68 LYS HE3 . . . . . . . . . rr_1kwj 1 . 1 . 965 . 1 1 68 LYS HG2 H 12.984 -4.517 -7.658 . . . 1.0 . . . . . . . . . . . . A . 68 LYS HG2 . . . . . . . . . rr_1kwj 1 . 1 . 966 . 1 1 68 LYS HG3 H 13.488 -6.144 -7.257 . . . 1.0 . . . . . . . . . . . . A . 68 LYS HG3 . . . . . . . . . rr_1kwj 1 . 1 . 967 . 1 1 68 LYS HZ1 H 17.104 -7.320 -9.130 . . . 1.0 . . . . . . . . . . . . A . 68 LYS HZ1 . . . . . . . . . rr_1kwj 1 . 1 . 968 . 1 1 68 LYS HZ2 H 15.620 -6.987 -9.625 . . . 1.0 . . . . . . . . . . . . A . 68 LYS HZ2 . . . . . . . . . rr_1kwj 1 . 1 . 969 . 1 1 68 LYS HZ3 H 16.801 -5.868 -9.864 . . . 1.0 . . . . . . . . . . . . A . 68 LYS HZ3 . . . . . . . . . rr_1kwj 1 . 1 . 970 . 1 1 68 LYS N N 11.590 -7.449 -8.379 . . . 1.0 . . . . . . . . . . . . A . 68 LYS N . . . . . . . . . rr_1kwj 1 . 1 . 971 . 1 1 68 LYS NZ N 16.449 -6.558 -9.220 . . . 1.0 . . . . . . . . . . . . A . 68 LYS NZ . . . . . . . . . rr_1kwj 1 . 1 . 972 . 1 1 68 LYS O O 13.957 -8.621 -7.897 . . . 1.0 . . . . . . . . . . . . A . 68 LYS O . . . . . . . . . rr_1kwj 1 . 1 . 973 . 1 1 68 LYS OXT O 14.692 -8.298 -9.964 . . . 1.0 . . . . . . . . . . . . A . 68 LYS OXT . . . . . . . . . rr_1kwj 1 . 1 . 974 . 2 2 1 HEC C1A C -11.188 -1.291 -1.037 . . . 1.0 . . . . . . . . . . . . A . 130 HEC C1A . . . . . . . . . rr_1kwj 1 . 1 . 975 . 2 2 1 HEC C1B C -11.447 -2.857 2.802 . . . 1.0 . . . . . . . . . . . . A . 130 HEC C1B . . . . . . . . . rr_1kwj 1 . 1 . 976 . 2 2 1 HEC C1C C -7.406 -2.287 3.278 . . . 1.0 . . . . . . . . . . . . A . 130 HEC C1C . . . . . . . . . rr_1kwj 1 . 1 . 977 . 2 2 1 HEC C1D C -7.289 -0.271 -0.295 . . . 1.0 . . . . . . . . . . . . A . 130 HEC C1D . . . . . . . . . rr_1kwj 1 . 1 . 978 . 2 2 1 HEC C2A C -12.552 -1.580 -1.423 . . . 1.0 . . . . . . . . . . . . A . 130 HEC C2A . . . . . . . . . rr_1kwj 1 . 1 . 979 . 2 2 1 HEC C2B C -11.707 -3.542 4.047 . . . 1.0 . . . . . . . . . . . . A . 130 HEC C2B . . . . . . . . . rr_1kwj 1 . 1 . 980 . 2 2 1 HEC C2C C -6.007 -2.131 3.603 . . . 1.0 . . . . . . . . . . . . A . 130 HEC C2C . . . . . . . . . rr_1kwj 1 . 1 . 981 . 2 2 1 HEC C2D C -6.930 0.217 -1.599 . . . 1.0 . . . . . . . . . . . . A . 130 HEC C2D . . . . . . . . . rr_1kwj 1 . 1 . 982 . 2 2 1 HEC C3A C -13.197 -1.895 -0.263 . . . 1.0 . . . . . . . . . . . . A . 130 HEC C3A . . . . . . . . . rr_1kwj 1 . 1 . 983 . 2 2 1 HEC C3B C -10.486 -3.722 4.640 . . . 1.0 . . . . . . . . . . . . A . 130 HEC C3B . . . . . . . . . rr_1kwj 1 . 1 . 984 . 2 2 1 HEC C3C C -5.544 -1.190 2.732 . . . 1.0 . . . . . . . . . . . . A . 130 HEC C3C . . . . . . . . . rr_1kwj 1 . 1 . 985 . 2 2 1 HEC C3D C -8.048 0.075 -2.364 . . . 1.0 . . . . . . . . . . . . A . 130 HEC C3D . . . . . . . . . rr_1kwj 1 . 1 . 986 . 2 2 1 HEC C4A C -12.163 -2.068 0.727 . . . 1.0 . . . . . . . . . . . . A . 130 HEC C4A . . . . . . . . . rr_1kwj 1 . 1 . 987 . 2 2 1 HEC C4B C -9.532 -3.094 3.750 . . . 1.0 . . . . . . . . . . . . A . 130 HEC C4B . . . . . . . . . rr_1kwj 1 . 1 . 988 . 2 2 1 HEC C4C C -6.595 -1.015 1.764 . . . 1.0 . . . . . . . . . . . . A . 130 HEC C4C . . . . . . . . . rr_1kwj 1 . 1 . 989 . 2 2 1 HEC C4D C -9.045 -0.510 -1.494 . . . 1.0 . . . . . . . . . . . . A . 130 HEC C4D . . . . . . . . . rr_1kwj 1 . 1 . 990 . 2 2 1 HEC CAA C -13.126 -1.694 -2.827 . . . 1.0 . . . . . . . . . . . . A . 130 HEC CAA . . . . . . . . . rr_1kwj 1 . 1 . 991 . 2 2 1 HEC CAB C -10.186 -4.490 5.922 . . . 1.0 . . . . . . . . . . . . A . 130 HEC CAB . . . . . . . . . rr_1kwj 1 . 1 . 992 . 2 2 1 HEC CAC C -4.299 -0.337 2.884 . . . 1.0 . . . . . . . . . . . . A . 130 HEC CAC . . . . . . . . . rr_1kwj 1 . 1 . 993 . 2 2 1 HEC CAD C -8.144 0.326 -3.854 . . . 1.0 . . . . . . . . . . . . A . 130 HEC CAD . . . . . . . . . rr_1kwj 1 . 1 . 994 . 2 2 1 HEC CBA C -13.705 -3.086 -3.160 . . . 1.0 . . . . . . . . . . . . A . 130 HEC CBA . . . . . . . . . rr_1kwj 1 . 1 . 995 . 2 2 1 HEC CBB C -10.407 -5.999 5.770 . . . 1.0 . . . . . . . . . . . . A . 130 HEC CBB . . . . . . . . . rr_1kwj 1 . 1 . 996 . 2 2 1 HEC CBC C -2.996 -1.066 2.559 . . . 1.0 . . . . . . . . . . . . A . 130 HEC CBC . . . . . . . . . rr_1kwj 1 . 1 . 997 . 2 2 1 HEC CBD C -8.081 -0.986 -4.655 . . . 1.0 . . . . . . . . . . . . A . 130 HEC CBD . . . . . . . . . rr_1kwj 1 . 1 . 998 . 2 2 1 HEC CGA C -12.772 -4.306 -2.972 . . . 1.0 . . . . . . . . . . . . A . 130 HEC CGA . . . . . . . . . rr_1kwj 1 . 1 . 999 . 2 2 1 HEC CGD C -8.449 -0.825 -6.139 . . . 1.0 . . . . . . . . . . . . A . 130 HEC CGD . . . . . . . . . rr_1kwj 1 . 1 . 1000 . 2 2 1 HEC CHA C -10.280 -0.798 -1.895 . . . 1.0 . . . . . . . . . . . . A . 130 HEC CHA . . . . . . . . . rr_1kwj 1 . 1 . 1001 . 2 2 1 HEC CHB C -12.423 -2.580 1.934 . . . 1.0 . . . . . . . . . . . . A . 130 HEC CHB . . . . . . . . . rr_1kwj 1 . 1 . 1002 . 2 2 1 HEC CHC C -8.226 -3.015 4.023 . . . 1.0 . . . . . . . . . . . . A . 130 HEC CHC . . . . . . . . . rr_1kwj 1 . 1 . 1003 . 2 2 1 HEC CHD C -6.400 -0.302 0.671 . . . 1.0 . . . . . . . . . . . . A . 130 HEC CHD . . . . . . . . . rr_1kwj 1 . 1 . 1004 . 2 2 1 HEC CMA C -14.691 -2.069 -0.071 . . . 1.0 . . . . . . . . . . . . A . 130 HEC CMA . . . . . . . . . rr_1kwj 1 . 1 . 1005 . 2 2 1 HEC CMB C -13.063 -3.990 4.564 . . . 1.0 . . . . . . . . . . . . A . 130 HEC CMB . . . . . . . . . rr_1kwj 1 . 1 . 1006 . 2 2 1 HEC CMC C -5.185 -2.895 4.627 . . . 1.0 . . . . . . . . . . . . A . 130 HEC CMC . . . . . . . . . rr_1kwj 1 . 1 . 1007 . 2 2 1 HEC CMD C -5.542 0.600 -2.072 . . . 1.0 . . . . . . . . . . . . A . 130 HEC CMD . . . . . . . . . rr_1kwj 1 . 1 . 1008 . 2 2 1 HEC FE Fe -9.378 -1.674 1.215 . . . 1.0 . . . . . . . . . . . . A . 130 HEC FE . . . . . . . . . rr_1kwj 1 . 1 . 1009 . 2 2 1 HEC HAA1 H -12.362 -1.505 -3.578 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HAA1 . . . . . . . . . rr_1kwj 1 . 1 . 1010 . 2 2 1 HEC HAA2 H -13.912 -0.949 -2.951 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HAA2 . . . . . . . . . rr_1kwj 1 . 1 . 1011 . 2 2 1 HEC HAB H -9.152 -4.355 6.203 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HAB . . . . . . . . . rr_1kwj 1 . 1 . 1012 . 2 2 1 HEC HAC H -4.327 0.517 2.211 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HAC . . . . . . . . . rr_1kwj 1 . 1 . 1013 . 2 2 1 HEC HAD1 H -7.346 0.991 -4.183 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HAD1 . . . . . . . . . rr_1kwj 1 . 1 . 1014 . 2 2 1 HEC HAD2 H -9.069 0.836 -4.095 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HAD2 . . . . . . . . . rr_1kwj 1 . 1 . 1015 . 2 2 1 HEC HBA1 H -14.024 -3.059 -4.203 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HBA1 . . . . . . . . . rr_1kwj 1 . 1 . 1016 . 2 2 1 HEC HBA2 H -14.597 -3.245 -2.552 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HBA2 . . . . . . . . . rr_1kwj 1 . 1 . 1017 . 2 2 1 HEC HBB1 H -11.440 -6.214 5.498 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HBB1 . . . . . . . . . rr_1kwj 1 . 1 . 1018 . 2 2 1 HEC HBB2 H -9.749 -6.395 4.995 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HBB2 . . . . . . . . . rr_1kwj 1 . 1 . 1019 . 2 2 1 HEC HBB3 H -10.188 -6.504 6.712 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HBB3 . . . . . . . . . rr_1kwj 1 . 1 . 1020 . 2 2 1 HEC HBC1 H -2.918 -2.019 3.080 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HBC1 . . . . . . . . . rr_1kwj 1 . 1 . 1021 . 2 2 1 HEC HBC2 H -2.965 -1.244 1.478 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HBC2 . . . . . . . . . rr_1kwj 1 . 1 . 1022 . 2 2 1 HEC HBC3 H -2.156 -0.438 2.841 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HBC3 . . . . . . . . . rr_1kwj 1 . 1 . 1023 . 2 2 1 HEC HBD1 H -8.773 -1.703 -4.212 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HBD1 . . . . . . . . . rr_1kwj 1 . 1 . 1024 . 2 2 1 HEC HBD2 H -7.072 -1.393 -4.557 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HBD2 . . . . . . . . . rr_1kwj 1 . 1 . 1025 . 2 2 1 HEC HHA H -10.543 -0.606 -2.915 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HHA . . . . . . . . . rr_1kwj 1 . 1 . 1026 . 2 2 1 HEC HHB H -13.426 -2.877 2.168 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HHB . . . . . . . . . rr_1kwj 1 . 1 . 1027 . 2 2 1 HEC HHC H -7.823 -3.468 4.897 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HHC . . . . . . . . . rr_1kwj 1 . 1 . 1028 . 2 2 1 HEC HHD H -5.442 0.133 0.497 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HHD . . . . . . . . . rr_1kwj 1 . 1 . 1029 . 2 2 1 HEC HMA1 H -15.227 -1.665 -0.929 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HMA1 . . . . . . . . . rr_1kwj 1 . 1 . 1030 . 2 2 1 HEC HMA2 H -14.931 -3.128 0.032 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HMA2 . . . . . . . . . rr_1kwj 1 . 1 . 1031 . 2 2 1 HEC HMA3 H -15.019 -1.526 0.818 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HMA3 . . . . . . . . . rr_1kwj 1 . 1 . 1032 . 2 2 1 HEC HMB1 H -13.526 -4.676 3.855 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HMB1 . . . . . . . . . rr_1kwj 1 . 1 . 1033 . 2 2 1 HEC HMB2 H -12.973 -4.499 5.521 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HMB2 . . . . . . . . . rr_1kwj 1 . 1 . 1034 . 2 2 1 HEC HMB3 H -13.703 -3.120 4.706 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HMB3 . . . . . . . . . rr_1kwj 1 . 1 . 1035 . 2 2 1 HEC HMC1 H -5.712 -2.988 5.574 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HMC1 . . . . . . . . . rr_1kwj 1 . 1 . 1036 . 2 2 1 HEC HMC2 H -4.945 -3.883 4.220 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HMC2 . . . . . . . . . rr_1kwj 1 . 1 . 1037 . 2 2 1 HEC HMC3 H -4.253 -2.369 4.823 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HMC3 . . . . . . . . . rr_1kwj 1 . 1 . 1038 . 2 2 1 HEC HMD1 H -5.464 0.391 -3.136 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HMD1 . . . . . . . . . rr_1kwj 1 . 1 . 1039 . 2 2 1 HEC HMD2 H -5.379 1.661 -1.889 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HMD2 . . . . . . . . . rr_1kwj 1 . 1 . 1040 . 2 2 1 HEC HMD3 H -4.767 0.016 -1.565 . . . 1.0 . . . . . . . . . . . . A . 130 HEC HMD3 . . . . . . . . . rr_1kwj 1 . 1 . 1041 . 2 2 1 HEC NA N -11.000 -1.647 0.249 . . . 1.0 . . . . . . . . . . . . A . 130 HEC NA . . . . . . . . . rr_1kwj 1 . 1 . 1042 . 2 2 1 HEC NB N -10.156 -2.600 2.677 . . . 1.0 . . . . . . . . . . . . A . 130 HEC NB . . . . . . . . . rr_1kwj 1 . 1 . 1043 . 2 2 1 HEC NC N -7.689 -1.664 2.138 . . . 1.0 . . . . . . . . . . . . A . 130 HEC NC . . . . . . . . . rr_1kwj 1 . 1 . 1044 . 2 2 1 HEC ND N -8.530 -0.723 -0.285 . . . 1.0 . . . . . . . . . . . . A . 130 HEC ND . . . . . . . . . rr_1kwj 1 . 1 . 1045 . 2 2 1 HEC O1A O -13.250 -5.446 -3.178 . . . 1.0 . . . . . . . . . . . . A . 130 HEC O1A . . . . . . . . . rr_1kwj 1 . 1 . 1046 . 2 2 1 HEC O1D O -9.553 -0.294 -6.403 . . . 1.0 . . . . . . . . . . . . A . 130 HEC O1D . . . . . . . . . rr_1kwj 1 . 1 . 1047 . 2 2 1 HEC O2A O -11.581 -4.165 -2.604 . . . 1.0 . . . . . . . . . . . . A . 130 HEC O2A . . . . . . . . . rr_1kwj 1 . 1 . 1048 . 2 2 1 HEC O2D O -7.619 -1.242 -6.980 . . . 1.0 . . . . . . . . . . . . A . 130 HEC O2D . . . . . . . . . rr_1kwj 1 . 1 . 1049 . 3 2 1 HEC C1A C 4.504 -4.270 3.277 . . . 1.0 . . . . . . . . . . . . A . 153 HEC C1A . . . . . . . . . rr_1kwj 1 . 1 . 1050 . 3 2 1 HEC C1B C 2.255 -2.074 0.596 . . . 1.0 . . . . . . . . . . . . A . 153 HEC C1B . . . . . . . . . rr_1kwj 1 . 1 . 1051 . 3 2 1 HEC C1C C 0.644 0.108 3.755 . . . 1.0 . . . . . . . . . . . . A . 153 HEC C1C . . . . . . . . . rr_1kwj 1 . 1 . 1052 . 3 2 1 HEC C1D C 2.808 -2.160 6.419 . . . 1.0 . . . . . . . . . . . . A . 153 HEC C1D . . . . . . . . . rr_1kwj 1 . 1 . 1053 . 3 2 1 HEC C2A C 5.215 -5.079 2.314 . . . 1.0 . . . . . . . . . . . . A . 153 HEC C2A . . . . . . . . . rr_1kwj 1 . 1 . 1054 . 3 2 1 HEC C2B C 1.607 -1.336 -0.467 . . . 1.0 . . . . . . . . . . . . A . 153 HEC C2B . . . . . . . . . rr_1kwj 1 . 1 . 1055 . 3 2 1 HEC C2C C -0.021 0.980 4.703 . . . 1.0 . . . . . . . . . . . . A . 153 HEC C2C . . . . . . . . . rr_1kwj 1 . 1 . 1056 . 3 2 1 HEC C2D C 3.365 -2.932 7.502 . . . 1.0 . . . . . . . . . . . . A . 153 HEC C2D . . . . . . . . . rr_1kwj 1 . 1 . 1057 . 3 2 1 HEC C3A C 4.679 -4.777 1.097 . . . 1.0 . . . . . . . . . . . . A . 153 HEC C3A . . . . . . . . . rr_1kwj 1 . 1 . 1058 . 3 2 1 HEC C3B C 0.770 -0.447 0.146 . . . 1.0 . . . . . . . . . . . . A . 153 HEC C3B . . . . . . . . . rr_1kwj 1 . 1 . 1059 . 3 2 1 HEC C3C C 0.441 0.597 5.933 . . . 1.0 . . . . . . . . . . . . A . 153 HEC C3C . . . . . . . . . rr_1kwj 1 . 1 . 1060 . 3 2 1 HEC C3D C 4.123 -3.908 6.920 . . . 1.0 . . . . . . . . . . . . A . 153 HEC C3D . . . . . . . . . rr_1kwj 1 . 1 . 1061 . 3 2 1 HEC C4A C 3.764 -3.687 1.334 . . . 1.0 . . . . . . . . . . . . A . 153 HEC C4A . . . . . . . . . rr_1kwj 1 . 1 . 1062 . 3 2 1 HEC C4B C 1.033 -0.590 1.560 . . . 1.0 . . . . . . . . . . . . A . 153 HEC C4B . . . . . . . . . rr_1kwj 1 . 1 . 1063 . 3 2 1 HEC C4C C 1.368 -0.485 5.675 . . . 1.0 . . . . . . . . . . . . A . 153 HEC C4C . . . . . . . . . rr_1kwj 1 . 1 . 1064 . 3 2 1 HEC C4D C 4.037 -3.669 5.492 . . . 1.0 . . . . . . . . . . . . A . 153 HEC C4D . . . . . . . . . rr_1kwj 1 . 1 . 1065 . 3 2 1 HEC CAA C 6.364 -6.030 2.585 . . . 1.0 . . . . . . . . . . . . A . 153 HEC CAA . . . . . . . . . rr_1kwj 1 . 1 . 1066 . 3 2 1 HEC CAB C -0.245 0.497 -0.503 . . . 1.0 . . . . . . . . . . . . A . 153 HEC CAB . . . . . . . . . rr_1kwj 1 . 1 . 1067 . 3 2 1 HEC CAC C 0.115 1.193 7.301 . . . 1.0 . . . . . . . . . . . . A . 153 HEC CAC . . . . . . . . . rr_1kwj 1 . 1 . 1068 . 3 2 1 HEC CAD C 4.650 -5.146 7.631 . . . 1.0 . . . . . . . . . . . . A . 153 HEC CAD . . . . . . . . . rr_1kwj 1 . 1 . 1069 . 3 2 1 HEC CBA C 5.929 -7.411 3.103 . . . 1.0 . . . . . . . . . . . . A . 153 HEC CBA . . . . . . . . . rr_1kwj 1 . 1 . 1070 . 3 2 1 HEC CBB C -0.972 -0.070 -1.732 . . . 1.0 . . . . . . . . . . . . A . 153 HEC CBB . . . . . . . . . rr_1kwj 1 . 1 . 1071 . 3 2 1 HEC CBC C -1.193 1.980 7.469 . . . 1.0 . . . . . . . . . . . . A . 153 HEC CBC . . . . . . . . . rr_1kwj 1 . 1 . 1072 . 3 2 1 HEC CBD C 5.604 -4.885 8.832 . . . 1.0 . . . . . . . . . . . . A . 153 HEC CBD . . . . . . . . . rr_1kwj 1 . 1 . 1073 . 3 2 1 HEC CGA C 7.103 -8.202 3.704 . . . 1.0 . . . . . . . . . . . . A . 153 HEC CGA . . . . . . . . . rr_1kwj 1 . 1 . 1074 . 3 2 1 HEC CGD C 5.838 -6.085 9.804 . . . 1.0 . . . . . . . . . . . . A . 153 HEC CGD . . . . . . . . . rr_1kwj 1 . 1 . 1075 . 3 2 1 HEC CHA C 4.688 -4.413 4.592 . . . 1.0 . . . . . . . . . . . . A . 153 HEC CHA . . . . . . . . . rr_1kwj 1 . 1 . 1076 . 3 2 1 HEC CHB C 3.109 -3.073 0.350 . . . 1.0 . . . . . . . . . . . . A . 153 HEC CHB . . . . . . . . . rr_1kwj 1 . 1 . 1077 . 3 2 1 HEC CHC C 0.425 0.189 2.450 . . . 1.0 . . . . . . . . . . . . A . 153 HEC CHC . . . . . . . . . rr_1kwj 1 . 1 . 1078 . 3 2 1 HEC CHD C 2.003 -1.123 6.652 . . . 1.0 . . . . . . . . . . . . A . 153 HEC CHD . . . . . . . . . rr_1kwj 1 . 1 . 1079 . 3 2 1 HEC CMA C 4.968 -5.482 -0.215 . . . 1.0 . . . . . . . . . . . . A . 153 HEC CMA . . . . . . . . . rr_1kwj 1 . 1 . 1080 . 3 2 1 HEC CMB C 1.887 -1.432 -1.951 . . . 1.0 . . . . . . . . . . . . A . 153 HEC CMB . . . . . . . . . rr_1kwj 1 . 1 . 1081 . 3 2 1 HEC CMC C -1.012 2.100 4.413 . . . 1.0 . . . . . . . . . . . . A . 153 HEC CMC . . . . . . . . . rr_1kwj 1 . 1 . 1082 . 3 2 1 HEC CMD C 3.086 -2.767 8.987 . . . 1.0 . . . . . . . . . . . . A . 153 HEC CMD . . . . . . . . . rr_1kwj 1 . 1 . 1083 . 3 2 1 HEC FE Fe 2.569 -2.090 3.493 . . . 1.0 . . . . . . . . . . . . A . 153 HEC FE . . . . . . . . . rr_1kwj 1 . 1 . 1084 . 3 2 1 HEC HAA1 H 7.023 -5.579 3.329 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HAA1 . . . . . . . . . rr_1kwj 1 . 1 . 1085 . 3 2 1 HEC HAA2 H 6.958 -6.171 1.681 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HAA2 . . . . . . . . . rr_1kwj 1 . 1 . 1086 . 3 2 1 HEC HAB H -1.057 0.679 0.198 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HAB . . . . . . . . . rr_1kwj 1 . 1 . 1087 . 3 2 1 HEC HAC H 0.021 0.366 8.004 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HAC . . . . . . . . . rr_1kwj 1 . 1 . 1088 . 3 2 1 HEC HAD1 H 5.157 -5.831 6.955 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HAD1 . . . . . . . . . rr_1kwj 1 . 1 . 1089 . 3 2 1 HEC HAD2 H 3.757 -5.667 7.978 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HAD2 . . . . . . . . . rr_1kwj 1 . 1 . 1090 . 3 2 1 HEC HBA1 H 5.470 -7.962 2.280 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HBA1 . . . . . . . . . rr_1kwj 1 . 1 . 1091 . 3 2 1 HEC HBA2 H 5.172 -7.277 3.878 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HBA2 . . . . . . . . . rr_1kwj 1 . 1 . 1092 . 3 2 1 HEC HBB1 H -1.317 -1.087 -1.539 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HBB1 . . . . . . . . . rr_1kwj 1 . 1 . 1093 . 3 2 1 HEC HBB2 H -1.837 0.552 -1.965 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HBB2 . . . . . . . . . rr_1kwj 1 . 1 . 1094 . 3 2 1 HEC HBB3 H -0.331 -0.069 -2.610 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HBB3 . . . . . . . . . rr_1kwj 1 . 1 . 1095 . 3 2 1 HEC HBC1 H -1.328 2.215 8.526 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HBC1 . . . . . . . . . rr_1kwj 1 . 1 . 1096 . 3 2 1 HEC HBC2 H -1.184 2.922 6.928 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HBC2 . . . . . . . . . rr_1kwj 1 . 1 . 1097 . 3 2 1 HEC HBC3 H -2.044 1.380 7.145 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HBC3 . . . . . . . . . rr_1kwj 1 . 1 . 1098 . 3 2 1 HEC HBD1 H 5.392 -3.940 9.345 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HBD1 . . . . . . . . . rr_1kwj 1 . 1 . 1099 . 3 2 1 HEC HBD2 H 6.575 -4.707 8.366 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HBD2 . . . . . . . . . rr_1kwj 1 . 1 . 1100 . 3 2 1 HEC HHA H 5.362 -5.181 4.922 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HHA . . . . . . . . . rr_1kwj 1 . 1 . 1101 . 3 2 1 HEC HHB H 3.254 -3.420 -0.657 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HHB . . . . . . . . . rr_1kwj 1 . 1 . 1102 . 3 2 1 HEC HHC H -0.243 0.929 2.081 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HHC . . . . . . . . . rr_1kwj 1 . 1 . 1103 . 3 2 1 HEC HHD H 1.846 -0.802 7.663 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HHD . . . . . . . . . rr_1kwj 1 . 1 . 1104 . 3 2 1 HEC HMA1 H 5.676 -4.903 -0.808 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HMA1 . . . . . . . . . rr_1kwj 1 . 1 . 1105 . 3 2 1 HEC HMA2 H 5.390 -6.468 -0.021 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HMA2 . . . . . . . . . rr_1kwj 1 . 1 . 1106 . 3 2 1 HEC HMA3 H 4.046 -5.627 -0.783 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HMA3 . . . . . . . . . rr_1kwj 1 . 1 . 1107 . 3 2 1 HEC HMB1 H 1.157 -2.095 -2.413 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HMB1 . . . . . . . . . rr_1kwj 1 . 1 . 1108 . 3 2 1 HEC HMB2 H 1.829 -0.439 -2.394 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HMB2 . . . . . . . . . rr_1kwj 1 . 1 . 1109 . 3 2 1 HEC HMB3 H 2.891 -1.812 -2.133 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HMB3 . . . . . . . . . rr_1kwj 1 . 1 . 1110 . 3 2 1 HEC HMC1 H -0.589 3.052 4.729 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HMC1 . . . . . . . . . rr_1kwj 1 . 1 . 1111 . 3 2 1 HEC HMC2 H -1.289 2.189 3.368 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HMC2 . . . . . . . . . rr_1kwj 1 . 1 . 1112 . 3 2 1 HEC HMC3 H -1.937 1.918 4.956 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HMC3 . . . . . . . . . rr_1kwj 1 . 1 . 1113 . 3 2 1 HEC HMD1 H 3.775 -2.036 9.414 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HMD1 . . . . . . . . . rr_1kwj 1 . 1 . 1114 . 3 2 1 HEC HMD2 H 2.062 -2.446 9.164 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HMD2 . . . . . . . . . rr_1kwj 1 . 1 . 1115 . 3 2 1 HEC HMD3 H 3.215 -3.720 9.502 . . . 1.0 . . . . . . . . . . . . A . 153 HEC HMD3 . . . . . . . . . rr_1kwj 1 . 1 . 1116 . 3 2 1 HEC NA N 3.694 -3.413 2.644 . . . 1.0 . . . . . . . . . . . . A . 153 HEC NA . . . . . . . . . rr_1kwj 1 . 1 . 1117 . 3 2 1 HEC NB N 1.918 -1.558 1.783 . . . 1.0 . . . . . . . . . . . . A . 153 HEC NB . . . . . . . . . rr_1kwj 1 . 1 . 1118 . 3 2 1 HEC NC N 1.449 -0.737 4.372 . . . 1.0 . . . . . . . . . . . . A . 153 HEC NC . . . . . . . . . rr_1kwj 1 . 1 . 1119 . 3 2 1 HEC ND N 3.195 -2.658 5.247 . . . 1.0 . . . . . . . . . . . . A . 153 HEC ND . . . . . . . . . rr_1kwj 1 . 1 . 1120 . 3 2 1 HEC O1A O 7.629 -7.726 4.737 . . . 1.0 . . . . . . . . . . . . A . 153 HEC O1A . . . . . . . . . rr_1kwj 1 . 1 . 1121 . 3 2 1 HEC O1D O 5.655 -6.992 10.650 . . . 1.0 . . . . . . . . . . . . A . 153 HEC O1D . . . . . . . . . rr_1kwj 1 . 1 . 1122 . 3 2 1 HEC O2A O 7.467 -9.249 3.123 . . . 1.0 . . . . . . . . . . . . A . 153 HEC O2A . . . . . . . . . rr_1kwj 1 . 1 . 1123 . 3 2 1 HEC O2D O 4.642 -5.842 10.105 . . . 1.0 . . . . . . . . . . . . A . 153 HEC O2D . . . . . . . . . rr_1kwj 1 . 1 . 1124 . 4 2 1 HEC C1A C 5.596 2.547 -10.015 . . . 1.0 . . . . . . . . . . . . A . 166 HEC C1A . . . . . . . . . rr_1kwj 1 . 1 . 1125 . 4 2 1 HEC C1B C 9.332 3.041 -8.309 . . . 1.0 . . . . . . . . . . . . A . 166 HEC C1B . . . . . . . . . rr_1kwj 1 . 1 . 1126 . 4 2 1 HEC C1C C 7.743 2.350 -4.596 . . . 1.0 . . . . . . . . . . . . A . 166 HEC C1C . . . . . . . . . rr_1kwj 1 . 1 . 1127 . 4 2 1 HEC C1D C 4.082 1.533 -6.304 . . . 1.0 . . . . . . . . . . . . A . 166 HEC C1D . . . . . . . . . rr_1kwj 1 . 1 . 1128 . 4 2 1 HEC C2A C 6.007 2.752 -11.392 . . . 1.0 . . . . . . . . . . . . A . 166 HEC C2A . . . . . . . . . rr_1kwj 1 . 1 . 1129 . 4 2 1 HEC C2B C 10.669 3.401 -7.901 . . . 1.0 . . . . . . . . . . . . A . 166 HEC C2B . . . . . . . . . rr_1kwj 1 . 1 . 1130 . 4 2 1 HEC C2C C 7.431 1.964 -3.242 . . . 1.0 . . . . . . . . . . . . A . 166 HEC C2C . . . . . . . . . rr_1kwj 1 . 1 . 1131 . 4 2 1 HEC C2D C 2.703 1.334 -6.675 . . . 1.0 . . . . . . . . . . . . A . 166 HEC C2D . . . . . . . . . rr_1kwj 1 . 1 . 1132 . 4 2 1 HEC C3A C 7.354 2.955 -11.356 . . . 1.0 . . . . . . . . . . . . A . 166 HEC C3A . . . . . . . . . rr_1kwj 1 . 1 . 1133 . 4 2 1 HEC C3B C 10.656 3.396 -6.534 . . . 1.0 . . . . . . . . . . . . A . 166 HEC C3B . . . . . . . . . rr_1kwj 1 . 1 . 1134 . 4 2 1 HEC C3C C 6.188 1.403 -3.298 . . . 1.0 . . . . . . . . . . . . A . 166 HEC C3C . . . . . . . . . rr_1kwj 1 . 1 . 1135 . 4 2 1 HEC C3D C 2.616 1.615 -8.009 . . . 1.0 . . . . . . . . . . . . A . 166 HEC C3D . . . . . . . . . rr_1kwj 1 . 1 . 1136 . 4 2 1 HEC C4A C 7.740 2.798 -9.978 . . . 1.0 . . . . . . . . . . . . A . 166 HEC C4A . . . . . . . . . rr_1kwj 1 . 1 . 1137 . 4 2 1 HEC C4B C 9.302 3.032 -6.168 . . . 1.0 . . . . . . . . . . . . A . 166 HEC C4B . . . . . . . . . rr_1kwj 1 . 1 . 1138 . 4 2 1 HEC C4C C 5.740 1.592 -4.663 . . . 1.0 . . . . . . . . . . . . A . 166 HEC C4C . . . . . . . . . rr_1kwj 1 . 1 . 1139 . 4 2 1 HEC C4D C 3.951 2.053 -8.397 . . . 1.0 . . . . . . . . . . . . A . 166 HEC C4D . . . . . . . . . rr_1kwj 1 . 1 . 1140 . 4 2 1 HEC CAA C 5.163 2.787 -12.651 . . . 1.0 . . . . . . . . . . . . A . 166 HEC CAA . . . . . . . . . rr_1kwj 1 . 1 . 1141 . 4 2 1 HEC CAB C 11.839 3.661 -5.604 . . . 1.0 . . . . . . . . . . . . A . 166 HEC CAB . . . . . . . . . rr_1kwj 1 . 1 . 1142 . 4 2 1 HEC CAC C 5.499 0.616 -2.190 . . . 1.0 . . . . . . . . . . . . A . 166 HEC CAC . . . . . . . . . rr_1kwj 1 . 1 . 1143 . 4 2 1 HEC CAD C 1.344 1.353 -8.820 . . . 1.0 . . . . . . . . . . . . A . 166 HEC CAD . . . . . . . . . rr_1kwj 1 . 1 . 1144 . 4 2 1 HEC CBA C 5.446 1.652 -13.648 . . . 1.0 . . . . . . . . . . . . A . 166 HEC CBA . . . . . . . . . rr_1kwj 1 . 1 . 1145 . 4 2 1 HEC CBB C 12.252 5.137 -5.559 . . . 1.0 . . . . . . . . . . . . A . 166 HEC CBB . . . . . . . . . rr_1kwj 1 . 1 . 1146 . 4 2 1 HEC CBC C 4.963 1.477 -1.045 . . . 1.0 . . . . . . . . . . . . A . 166 HEC CBC . . . . . . . . . rr_1kwj 1 . 1 . 1147 . 4 2 1 HEC CBD C 1.445 0.972 -10.312 . . . 1.0 . . . . . . . . . . . . A . 166 HEC CBD . . . . . . . . . rr_1kwj 1 . 1 . 1148 . 4 2 1 HEC CGA C 4.537 1.708 -14.889 . . . 1.0 . . . . . . . . . . . . A . 166 HEC CGA . . . . . . . . . rr_1kwj 1 . 1 . 1149 . 4 2 1 HEC CGD C 1.388 2.146 -11.315 . . . 1.0 . . . . . . . . . . . . A . 166 HEC CGD . . . . . . . . . rr_1kwj 1 . 1 . 1150 . 4 2 1 HEC CHA C 4.322 2.363 -9.646 . . . 1.0 . . . . . . . . . . . . A . 166 HEC CHA . . . . . . . . . rr_1kwj 1 . 1 . 1151 . 4 2 1 HEC CHB C 8.998 2.988 -9.594 . . . 1.0 . . . . . . . . . . . . A . 166 HEC CHB . . . . . . . . . rr_1kwj 1 . 1 . 1152 . 4 2 1 HEC CHC C 8.928 2.860 -4.901 . . . 1.0 . . . . . . . . . . . . A . 166 HEC CHC . . . . . . . . . rr_1kwj 1 . 1 . 1153 . 4 2 1 HEC CHD C 4.507 1.287 -5.063 . . . 1.0 . . . . . . . . . . . . A . 166 HEC CHD . . . . . . . . . rr_1kwj 1 . 1 . 1154 . 4 2 1 HEC CMA C 8.234 3.437 -12.496 . . . 1.0 . . . . . . . . . . . . A . 166 HEC CMA . . . . . . . . . rr_1kwj 1 . 1 . 1155 . 4 2 1 HEC CMB C 11.826 3.750 -8.821 . . . 1.0 . . . . . . . . . . . . A . 166 HEC CMB . . . . . . . . . rr_1kwj 1 . 1 . 1156 . 4 2 1 HEC CMC C 8.363 2.033 -2.043 . . . 1.0 . . . . . . . . . . . . A . 166 HEC CMC . . . . . . . . . rr_1kwj 1 . 1 . 1157 . 4 2 1 HEC CMD C 1.563 0.864 -5.784 . . . 1.0 . . . . . . . . . . . . A . 166 HEC CMD . . . . . . . . . rr_1kwj 1 . 1 . 1158 . 4 2 1 HEC FE Fe 6.690 2.400 -7.324 . . . 1.0 . . . . . . . . . . . . A . 166 HEC FE . . . . . . . . . rr_1kwj 1 . 1 . 1159 . 4 2 1 HEC HAA1 H 5.349 3.728 -13.163 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HAA1 . . . . . . . . . rr_1kwj 1 . 1 . 1160 . 4 2 1 HEC HAA2 H 4.103 2.726 -12.422 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HAA2 . . . . . . . . . rr_1kwj 1 . 1 . 1161 . 4 2 1 HEC HAB H 11.605 3.384 -4.581 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HAB . . . . . . . . . rr_1kwj 1 . 1 . 1162 . 4 2 1 HEC HAC H 4.649 0.072 -2.596 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HAC . . . . . . . . . rr_1kwj 1 . 1 . 1163 . 4 2 1 HEC HAD1 H 0.651 2.186 -8.704 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HAD1 . . . . . . . . . rr_1kwj 1 . 1 . 1164 . 4 2 1 HEC HAD2 H 0.873 0.484 -8.363 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HAD2 . . . . . . . . . rr_1kwj 1 . 1 . 1165 . 4 2 1 HEC HBA1 H 5.313 0.707 -13.128 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HBA1 . . . . . . . . . rr_1kwj 1 . 1 . 1166 . 4 2 1 HEC HBA2 H 6.483 1.700 -13.978 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HBA2 . . . . . . . . . rr_1kwj 1 . 1 . 1167 . 4 2 1 HEC HBB1 H 13.085 5.265 -4.867 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HBB1 . . . . . . . . . rr_1kwj 1 . 1 . 1168 . 4 2 1 HEC HBB2 H 12.564 5.487 -6.541 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HBB2 . . . . . . . . . rr_1kwj 1 . 1 . 1169 . 4 2 1 HEC HBB3 H 11.414 5.748 -5.222 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HBB3 . . . . . . . . . rr_1kwj 1 . 1 . 1170 . 4 2 1 HEC HBC1 H 5.761 1.984 -0.511 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HBC1 . . . . . . . . . rr_1kwj 1 . 1 . 1171 . 4 2 1 HEC HBC2 H 4.287 2.225 -1.458 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HBC2 . . . . . . . . . rr_1kwj 1 . 1 . 1172 . 4 2 1 HEC HBC3 H 4.419 0.843 -0.344 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HBC3 . . . . . . . . . rr_1kwj 1 . 1 . 1173 . 4 2 1 HEC HBD1 H 0.597 0.326 -10.540 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HBD1 . . . . . . . . . rr_1kwj 1 . 1 . 1174 . 4 2 1 HEC HBD2 H 2.343 0.368 -10.449 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HBD2 . . . . . . . . . rr_1kwj 1 . 1 . 1175 . 4 2 1 HEC HHA H 3.582 2.393 -10.401 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HHA . . . . . . . . . rr_1kwj 1 . 1 . 1176 . 4 2 1 HEC HHB H 9.745 3.181 -10.337 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HHB . . . . . . . . . rr_1kwj 1 . 1 . 1177 . 4 2 1 HEC HHC H 9.626 3.009 -4.109 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HHC . . . . . . . . . rr_1kwj 1 . 1 . 1178 . 4 2 1 HEC HHD H 3.805 0.915 -4.348 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HHD . . . . . . . . . rr_1kwj 1 . 1 . 1179 . 4 2 1 HEC HMA1 H 9.059 2.745 -12.659 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HMA1 . . . . . . . . . rr_1kwj 1 . 1 . 1180 . 4 2 1 HEC HMA2 H 7.665 3.520 -13.421 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HMA2 . . . . . . . . . rr_1kwj 1 . 1 . 1181 . 4 2 1 HEC HMA3 H 8.633 4.423 -12.256 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HMA3 . . . . . . . . . rr_1kwj 1 . 1 . 1182 . 4 2 1 HEC HMB1 H 12.703 4.067 -8.263 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HMB1 . . . . . . . . . rr_1kwj 1 . 1 . 1183 . 4 2 1 HEC HMB2 H 12.099 2.874 -9.411 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HMB2 . . . . . . . . . rr_1kwj 1 . 1 . 1184 . 4 2 1 HEC HMB3 H 11.540 4.564 -9.487 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HMB3 . . . . . . . . . rr_1kwj 1 . 1 . 1185 . 4 2 1 HEC HMC1 H 7.852 1.743 -1.129 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HMC1 . . . . . . . . . rr_1kwj 1 . 1 . 1186 . 4 2 1 HEC HMC2 H 9.186 1.333 -2.193 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HMC2 . . . . . . . . . rr_1kwj 1 . 1 . 1187 . 4 2 1 HEC HMC3 H 8.751 3.041 -1.919 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HMC3 . . . . . . . . . rr_1kwj 1 . 1 . 1188 . 4 2 1 HEC HMD1 H 1.607 1.301 -4.789 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HMD1 . . . . . . . . . rr_1kwj 1 . 1 . 1189 . 4 2 1 HEC HMD2 H 0.602 1.135 -6.219 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HMD2 . . . . . . . . . rr_1kwj 1 . 1 . 1190 . 4 2 1 HEC HMD3 H 1.614 -0.213 -5.676 . . . 1.0 . . . . . . . . . . . . A . 166 HEC HMD3 . . . . . . . . . rr_1kwj 1 . 1 . 1191 . 4 2 1 HEC NA N 6.674 2.578 -9.217 . . . 1.0 . . . . . . . . . . . . A . 166 HEC NA . . . . . . . . . rr_1kwj 1 . 1 . 1192 . 4 2 1 HEC NB N 8.555 2.845 -7.255 . . . 1.0 . . . . . . . . . . . . A . 166 HEC NB . . . . . . . . . rr_1kwj 1 . 1 . 1193 . 4 2 1 HEC NC N 6.722 2.116 -5.402 . . . 1.0 . . . . . . . . . . . . A . 166 HEC NC . . . . . . . . . rr_1kwj 1 . 1 . 1194 . 4 2 1 HEC ND N 4.778 1.981 -7.341 . . . 1.0 . . . . . . . . . . . . A . 166 HEC ND . . . . . . . . . rr_1kwj 1 . 1 . 1195 . 4 2 1 HEC O1A O 4.224 2.848 -15.322 . . . 1.0 . . . . . . . . . . . . A . 166 HEC O1A . . . . . . . . . rr_1kwj 1 . 1 . 1196 . 4 2 1 HEC O1D O 1.110 3.287 -10.881 . . . 1.0 . . . . . . . . . . . . A . 166 HEC O1D . . . . . . . . . rr_1kwj 1 . 1 . 1197 . 4 2 1 HEC O2A O 4.204 0.618 -15.408 . . . 1.0 . . . . . . . . . . . . A . 166 HEC O2A . . . . . . . . . rr_1kwj 1 . 1 . 1198 . 4 2 1 HEC O2D O 1.749 1.906 -12.485 . . . 1.0 . . . . . . . . . . . . A . 166 HEC O2D . . . . . . . . . rr_1kwj 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_1kwj _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 1kwj.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1kwj 1 1 1kwj.mr . . DYANA/DIANA 2 distance NOE simple 1516 rr_1kwj 1 1 1kwj.mr . . n/a 3 comment 'Not applicable' 'Not applicable' 0 rr_1kwj 1 1 1kwj.mr . . DYANA/DIANA 4 'pseudocontact shift' 'Not applicable' 'Not applicable' 0 rr_1kwj 1 1 1kwj.mr . . 'MR format' 5 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1kwj 1 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID rr_1kwj _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_1kwj 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 1 1 ALA HA H . . . 1 1 4 4 VAL MG2 H . . . . . . . 6.5 . . . . . A . 1 ALA HA . . A . 4 VAL MG2 . . . 1 ALA HA . . . . . 4 VAL QG2 . . rr_1kwj 1 2 1 . . 1 1 2 2 ASP H H . . . 1 1 2 2 ASP HA H . . . . . . . 5.5 . . . . . A . 2 ASP H . . A . 2 ASP HA . . . 2 ASP- HN . . . . . 2 ASP- HA . . rr_1kwj 1 3 1 . . 1 1 2 2 ASP H H . . . 1 1 2 2 ASP HB3 H . . . . . . . 5.5 . . . . . A . 2 ASP H . . A . 2 ASP HB3 . . . 2 ASP- HN . . . . . 2 ASP- HB3 . . rr_1kwj 1 4 1 . . 1 1 2 2 ASP H H . . . 1 1 3 3 VAL H H . . . . . . . 5.5 . . . . . A . 2 ASP H . . A . 3 VAL H . . . 2 ASP- HN . . . . . 3 VAL HN . . rr_1kwj 1 5 1 . . 1 1 2 2 ASP HA H . . . 1 1 2 2 ASP HB2 H . . . . . . . 3.7 . . . . . A . 2 ASP HA . . A . 2 ASP HB2 . . . 2 ASP- HA . . . . . 2 ASP- HB2 . . rr_1kwj 1 6 1 . . 1 1 2 2 ASP HA H . . . 1 1 2 2 ASP HB3 H . . . . . . . 3.7 . . . . . A . 2 ASP HA . . A . 2 ASP HB3 . . . 2 ASP- HA . . . . . 2 ASP- HB3 . . rr_1kwj 1 7 1 . . 1 1 2 2 ASP HA H . . . 1 1 3 3 VAL H H . . . . . . . 4.4 . . . . . A . 2 ASP HA . . A . 3 VAL H . . . 2 ASP- HA . . . . . 3 VAL HN . . rr_1kwj 1 8 1 . . 1 1 2 2 ASP HA H . . . 1 1 3 3 VAL MG2 H . . . . . . . 6.5 . . . . . A . 2 ASP HA . . A . 3 VAL MG2 . . . 2 ASP- HA . . . . . 3 VAL QG2 . . rr_1kwj 1 9 1 . . 1 1 2 2 ASP HA H . . . 1 1 17 17 HIS H H . . . . . . . 4.7 . . . . . A . 2 ASP HA . . A . 17 HIS H . . . 2 ASP- HA . . . . . 17 HIS HN . . rr_1kwj 1 10 1 . . 1 1 2 2 ASP HA H . . . 1 1 17 17 HIS HB2 H . . . . . . . 4.9 . . . . . A . 2 ASP HA . . A . 17 HIS HB2 . . . 2 ASP- HA . . . . . 17 HIS HB2 . . rr_1kwj 1 11 1 . . 1 1 2 2 ASP HA H . . . 1 1 17 17 HIS HB3 H . . . . . . . 4.0 . . . . . A . 2 ASP HA . . A . 17 HIS HB3 . . . 2 ASP- HA . . . . . 17 HIS HB3 . . rr_1kwj 1 12 1 . . 1 1 2 2 ASP HA H . . . 1 1 18 18 LYS H H . . . . . . . 3.4 . . . . . A . 2 ASP HA . . A . 18 LYS H . . . 2 ASP- HA . . . . . 18 LYS+ HN . . rr_1kwj 1 13 1 . . 1 1 2 2 ASP HA H . . . 1 1 18 18 LYS HA H . . . . . . . 4.4 . . . . . A . 2 ASP HA . . A . 18 LYS HA . . . 2 ASP- HA . . . . . 18 LYS+ HA . . rr_1kwj 1 14 1 . . 1 1 2 2 ASP HA H . . . 1 1 18 18 LYS HB2 H . . . . . . . 3.8 . . . . . A . 2 ASP HA . . A . 18 LYS HB2 . . . 2 ASP- HA . . . . . 18 LYS+ HB2 . . rr_1kwj 1 15 1 . . 1 1 2 2 ASP HA H . . . 1 1 18 18 LYS HB3 H . . . . . . . 4.2 . . . . . A . 2 ASP HA . . A . 18 LYS HB3 . . . 2 ASP- HA . . . . . 18 LYS+ HB3 . . rr_1kwj 1 16 1 . . 1 1 2 2 ASP HA H . . . 1 1 18 18 LYS HG3 H . . . . . . . 5.4 . . . . . A . 2 ASP HA . . A . 18 LYS HG3 . . . 2 ASP- HA . . . . . 18 LYS+ HG3 . . rr_1kwj 1 17 1 OR . 1 1 2 2 ASP HA H . . . 1 1 18 18 LYS HD2 H . . . . . . . 6.5 . . . . . A . 2 ASP HA . . A . 18 LYS HD2 . . . 2 ASP- HA . . . . . 18 LYS+ QD . . rr_1kwj 1 17 2 OR . 1 1 2 2 ASP HA H . . . 1 1 18 18 LYS HD3 H . . . . . . . 6.5 . . . . . A . 2 ASP HA . . A . 18 LYS HD3 . . . 2 ASP- HA . . . . . 18 LYS+ QD . . rr_1kwj 1 18 1 . . 1 1 2 2 ASP HA H . . . 1 1 19 19 ALA H H . . . . . . . 5.5 . . . . . A . 2 ASP HA . . A . 19 ALA H . . . 2 ASP- HA . . . . . 19 ALA HN . . rr_1kwj 1 19 1 . . 1 1 3 3 VAL H H . . . 1 1 2 2 ASP HB2 H . . . . . . . 5.5 . . . . . A . 3 VAL H . . A . 2 ASP HB2 . . . 3 VAL HN . . . . . 2 ASP- HB2 . . rr_1kwj 1 20 1 . . 1 1 2 2 ASP HB2 H . . . 1 1 18 18 LYS HB2 H . . . . . . . 4.3 . . . . . A . 2 ASP HB2 . . A . 18 LYS HB2 . . . 2 ASP- HB2 . . . . . 18 LYS+ HB2 . . rr_1kwj 1 21 1 . . 1 1 2 2 ASP HB3 H . . . 1 1 3 3 VAL H H . . . . . . . 4.0 . . . . . A . 2 ASP HB3 . . A . 3 VAL H . . . 2 ASP- HB3 . . . . . 3 VAL HN . . rr_1kwj 1 22 1 . . 1 1 2 2 ASP HB3 H . . . 1 1 3 3 VAL MG2 H . . . . . . . 6.4 . . . . . A . 2 ASP HB3 . . A . 3 VAL MG2 . . . 2 ASP- HB3 . . . . . 3 VAL QG2 . . rr_1kwj 1 23 1 . . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL HA H . . . . . . . 3.8 . . . . . A . 3 VAL H . . A . 3 VAL HA . . . 3 VAL HN . . . . . 3 VAL HA . . rr_1kwj 1 24 1 . . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL HB H . . . . . . . 3.4 . . . . . A . 3 VAL H . . A . 3 VAL HB . . . 3 VAL HN . . . . . 3 VAL HB . . rr_1kwj 1 25 1 . . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL MG1 H . . . . . . . 6.2 . . . . . A . 3 VAL H . . A . 3 VAL MG1 . . . 3 VAL HN . . . . . 3 VAL QG1 . . rr_1kwj 1 26 1 . . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL MG2 H . . . . . . . 5.0 . . . . . A . 3 VAL H . . A . 3 VAL MG2 . . . 3 VAL HN . . . . . 3 VAL QG2 . . rr_1kwj 1 27 1 . . 1 1 3 3 VAL H H . . . 1 1 4 4 VAL H H . . . . . . . 4.5 . . . . . A . 3 VAL H . . A . 4 VAL H . . . 3 VAL HN . . . . . 4 VAL HN . . rr_1kwj 1 28 1 . . 1 1 4 4 VAL MG2 H . . . 1 1 3 3 VAL H H . . . . . . . 6.5 . . . . . A . 4 VAL MG2 . . A . 3 VAL H . . . 4 VAL QG2 . . . . . 3 VAL HN . . rr_1kwj 1 29 1 . . 1 1 3 3 VAL H H . . . 1 1 16 16 ASP HA H . . . . . . . 5.5 . . . . . A . 3 VAL H . . A . 16 ASP HA . . . 3 VAL HN . . . . . 16 ASP- HA . . rr_1kwj 1 30 1 . . 1 1 3 3 VAL H H . . . 1 1 17 17 HIS H H . . . . . . . 5.5 . . . . . A . 3 VAL H . . A . 17 HIS H . . . 3 VAL HN . . . . . 17 HIS HN . . rr_1kwj 1 31 1 . . 1 1 3 3 VAL H H . . . 1 1 18 18 LYS H H . . . . . . . 5.1 . . . . . A . 3 VAL H . . A . 18 LYS H . . . 3 VAL HN . . . . . 18 LYS+ HN . . rr_1kwj 1 32 1 . . 1 1 3 3 VAL HA H . . . 1 1 3 3 VAL HB H . . . . . . . 4.1 . . . . . A . 3 VAL HA . . A . 3 VAL HB . . . 3 VAL HA . . . . . 3 VAL HB . . rr_1kwj 1 33 1 . . 1 1 3 3 VAL HA H . . . 1 1 3 3 VAL MG1 H . . . . . . . 4.4 . . . . . A . 3 VAL HA . . A . 3 VAL MG1 . . . 3 VAL HA . . . . . 3 VAL QG1 . . rr_1kwj 1 34 1 . . 1 1 3 3 VAL MG2 H . . . 1 1 3 3 VAL HA H . . . . . . . 4.5 . . . . . A . 3 VAL MG2 . . A . 3 VAL HA . . . 3 VAL QG2 . . . . . 3 VAL HA . . rr_1kwj 1 35 1 . . 1 1 3 3 VAL HA H . . . 1 1 4 4 VAL H H . . . . . . . 2.7 . . . . . A . 3 VAL HA . . A . 4 VAL H . . . 3 VAL HA . . . . . 4 VAL HN . . rr_1kwj 1 36 1 . . 1 1 3 3 VAL HA H . . . 1 1 4 4 VAL HB H . . . . . . . 4.8 . . . . . A . 3 VAL HA . . A . 4 VAL HB . . . 3 VAL HA . . . . . 4 VAL HB . . rr_1kwj 1 37 1 . . 1 1 4 4 VAL MG2 H . . . 1 1 3 3 VAL HA H . . . . . . . 6.5 . . . . . A . 4 VAL MG2 . . A . 3 VAL HA . . . 4 VAL QG2 . . . . . 3 VAL HA . . rr_1kwj 1 38 1 . . 1 1 3 3 VAL HA H . . . 1 1 16 16 ASP HA H . . . . . . . 3.0 . . . . . A . 3 VAL HA . . A . 16 ASP HA . . . 3 VAL HA . . . . . 16 ASP- HA . . rr_1kwj 1 39 1 . . 1 1 3 3 VAL HA H . . . 1 1 16 16 ASP HB3 H . . . . . . . 5.5 . . . . . A . 3 VAL HA . . A . 16 ASP HB3 . . . 3 VAL HA . . . . . 16 ASP- HB3 . . rr_1kwj 1 40 1 . . 1 1 17 17 HIS H H . . . 1 1 3 3 VAL HA H . . . . . . . 3.2 . . . . . A . 17 HIS H . . A . 3 VAL HA . . . 17 HIS HN . . . . . 3 VAL HA . . rr_1kwj 1 41 1 . . 1 1 17 17 HIS HB2 H . . . 1 1 3 3 VAL HA H . . . . . . . 5.5 . . . . . A . 17 HIS HB2 . . A . 3 VAL HA . . . 17 HIS HB2 . . . . . 3 VAL HA . . rr_1kwj 1 42 1 . . 1 1 3 3 VAL HB H . . . 1 1 3 3 VAL MG1 H . . . . . . . 4.0 . . . . . A . 3 VAL HB . . A . 3 VAL MG1 . . . 3 VAL HB . . . . . 3 VAL QG1 . . rr_1kwj 1 43 1 . . 1 1 3 3 VAL MG2 H . . . 1 1 3 3 VAL HB H . . . . . . . 4.1 . . . . . A . 3 VAL MG2 . . A . 3 VAL HB . . . 3 VAL QG2 . . . . . 3 VAL HB . . rr_1kwj 1 44 1 . . 1 1 3 3 VAL HB H . . . 1 1 4 4 VAL H H . . . . . . . 5.3 . . . . . A . 3 VAL HB . . A . 4 VAL H . . . 3 VAL HB . . . . . 4 VAL HN . . rr_1kwj 1 45 1 . . 1 1 3 3 VAL HB H . . . 1 1 16 16 ASP HA H . . . . . . . 5.5 . . . . . A . 3 VAL HB . . A . 16 ASP HA . . . 3 VAL HB . . . . . 16 ASP- HA . . rr_1kwj 1 46 1 . . 1 1 3 3 VAL MG1 H . . . 1 1 4 4 VAL H H . . . . . . . 5.7 . . . . . A . 3 VAL MG1 . . A . 4 VAL H . . . 3 VAL QG1 . . . . . 4 VAL HN . . rr_1kwj 1 47 1 . . 1 1 3 3 VAL MG1 H . . . 1 1 14 14 THR MG H . . . . . . . 5.8 . . . . . A . 3 VAL MG1 . . A . 14 THR MG . . . 3 VAL QG1 . . . . . 14 THR QG2 . . rr_1kwj 1 48 1 . . 1 1 3 3 VAL MG1 H . . . 1 1 15 15 PHE H H . . . . . . . 6.2 . . . . . A . 3 VAL MG1 . . A . 15 PHE H . . . 3 VAL QG1 . . . . . 15 PHE HN . . rr_1kwj 1 49 1 . . 1 1 3 3 VAL MG1 H . . . 1 1 16 16 ASP HA H . . . . . . . 6.5 . . . . . A . 3 VAL MG1 . . A . 16 ASP HA . . . 3 VAL QG1 . . . . . 16 ASP- HA . . rr_1kwj 1 50 1 . . 1 1 17 17 HIS H H . . . 1 1 3 3 VAL MG1 H . . . . . . . 6.5 . . . . . A . 17 HIS H . . A . 3 VAL MG1 . . . 17 HIS HN . . . . . 3 VAL QG1 . . rr_1kwj 1 51 1 . . 1 1 3 3 VAL MG2 H . . . 1 1 4 4 VAL H H . . . . . . . 6.5 . . . . . A . 3 VAL MG2 . . A . 4 VAL H . . . 3 VAL QG2 . . . . . 4 VAL HN . . rr_1kwj 1 52 1 . . 1 1 3 3 VAL MG2 H . . . 1 1 14 14 THR MG H . . . . . . . 7.2 . . . . . A . 3 VAL MG2 . . A . 14 THR MG . . . 3 VAL QG2 . . . . . 14 THR QG2 . . rr_1kwj 1 53 1 . . 1 1 3 3 VAL MG2 H . . . 1 1 16 16 ASP HA H . . . . . . . 5.5 . . . . . A . 3 VAL MG2 . . A . 16 ASP HA . . . 3 VAL QG2 . . . . . 16 ASP- HA . . rr_1kwj 1 54 1 . . 1 1 3 3 VAL MG2 H . . . 1 1 16 16 ASP HB3 H . . . . . . . 6.5 . . . . . A . 3 VAL MG2 . . A . 16 ASP HB3 . . . 3 VAL QG2 . . . . . 16 ASP- HB3 . . rr_1kwj 1 55 1 . . 1 1 3 3 VAL MG2 H . . . 1 1 17 17 HIS H H . . . . . . . 6.5 . . . . . A . 3 VAL MG2 . . A . 17 HIS H . . . 3 VAL QG2 . . . . . 17 HIS HN . . rr_1kwj 1 56 1 . . 1 1 3 3 VAL MG2 H . . . 1 1 18 18 LYS H H . . . . . . . 6.5 . . . . . A . 3 VAL MG2 . . A . 18 LYS H . . . 3 VAL QG2 . . . . . 18 LYS+ HN . . rr_1kwj 1 57 1 . . 1 1 4 4 VAL H H . . . 1 1 4 4 VAL HB H . . . . . . . 3.5 . . . . . A . 4 VAL H . . A . 4 VAL HB . . . 4 VAL HN . . . . . 4 VAL HB . . rr_1kwj 1 58 1 . . 1 1 4 4 VAL H H . . . 1 1 4 4 VAL MG1 H . . . . . . . 6.5 . . . . . A . 4 VAL H . . A . 4 VAL MG1 . . . 4 VAL HN . . . . . 4 VAL QG1 . . rr_1kwj 1 59 1 . . 1 1 4 4 VAL MG2 H . . . 1 1 4 4 VAL H H . . . . . . . 5.1 . . . . . A . 4 VAL MG2 . . A . 4 VAL H . . . 4 VAL QG2 . . . . . 4 VAL HN . . rr_1kwj 1 60 1 . . 1 1 4 4 VAL H H . . . 1 1 5 5 THR H H . . . . . . . 5.5 . . . . . A . 4 VAL H . . A . 5 THR H . . . 4 VAL HN . . . . . 5 THR HN . . rr_1kwj 1 61 1 . . 1 1 4 4 VAL H H . . . 1 1 15 15 PHE HB2 H . . . . . . . 5.5 . . . . . A . 4 VAL H . . A . 15 PHE HB2 . . . 4 VAL HN . . . . . 15 PHE HB2 . . rr_1kwj 1 62 1 . . 1 1 4 4 VAL H H . . . 1 1 15 15 PHE HB3 H . . . . . . . 5.5 . . . . . A . 4 VAL H . . A . 15 PHE HB3 . . . 4 VAL HN . . . . . 15 PHE HB3 . . rr_1kwj 1 63 1 . . 1 1 4 4 VAL H H . . . 1 1 16 16 ASP HA H . . . . . . . 3.8 . . . . . A . 4 VAL H . . A . 16 ASP HA . . . 4 VAL HN . . . . . 16 ASP- HA . . rr_1kwj 1 64 1 . . 1 1 17 17 HIS H H . . . 1 1 4 4 VAL H H . . . . . . . 3.8 . . . . . A . 17 HIS H . . A . 4 VAL H . . . 17 HIS HN . . . . . 4 VAL HN . . rr_1kwj 1 65 1 . . 1 1 17 17 HIS HB2 H . . . 1 1 4 4 VAL H H . . . . . . . 5.5 . . . . . A . 17 HIS HB2 . . A . 4 VAL H . . . 17 HIS HB2 . . . . . 4 VAL HN . . rr_1kwj 1 66 1 . . 1 1 17 17 HIS HB3 H . . . 1 1 4 4 VAL H H . . . . . . . 5.5 . . . . . A . 17 HIS HB3 . . A . 4 VAL H . . . 17 HIS HB3 . . . . . 4 VAL HN . . rr_1kwj 1 67 1 . . 1 1 18 18 LYS H H . . . 1 1 4 4 VAL H H . . . . . . . 5.5 . . . . . A . 18 LYS H . . A . 4 VAL H . . . 18 LYS+ HN . . . . . 4 VAL HN . . rr_1kwj 1 68 1 . . 1 1 4 4 VAL HB H . . . 1 1 4 4 VAL MG1 H . . . . . . . 4.0 . . . . . A . 4 VAL HB . . A . 4 VAL MG1 . . . 4 VAL HB . . . . . 4 VAL QG1 . . rr_1kwj 1 69 1 . . 1 1 4 4 VAL MG2 H . . . 1 1 4 4 VAL HB H . . . . . . . 3.4 . . . . . A . 4 VAL MG2 . . A . 4 VAL HB . . . 4 VAL QG2 . . . . . 4 VAL HB . . rr_1kwj 1 70 1 . . 1 1 4 4 VAL HB H . . . 1 1 5 5 THR H H . . . . . . . 5.3 . . . . . A . 4 VAL HB . . A . 5 THR H . . . 4 VAL HB . . . . . 5 THR HN . . rr_1kwj 1 71 1 . . 1 1 4 4 VAL HB H . . . 1 1 6 6 TYR CZ C . . . . . . . 7.5 . . . . . A . 4 VAL HB . . A . 6 TYR CZ . . . 4 VAL HB . . . . . 6 TYR CZ . . rr_1kwj 1 72 1 . . 1 1 4 4 VAL HB H . . . 1 1 15 15 PHE H H . . . . . . . 4.4 . . . . . A . 4 VAL HB . . A . 15 PHE H . . . 4 VAL HB . . . . . 15 PHE HN . . rr_1kwj 1 73 1 . . 1 1 4 4 VAL HB H . . . 1 1 15 15 PHE HB2 H . . . . . . . 3.6 . . . . . A . 4 VAL HB . . A . 15 PHE HB2 . . . 4 VAL HB . . . . . 15 PHE HB2 . . rr_1kwj 1 74 1 . . 1 1 4 4 VAL HB H . . . 1 1 15 15 PHE HB3 H . . . . . . . 4.4 . . . . . A . 4 VAL HB . . A . 15 PHE HB3 . . . 4 VAL HB . . . . . 15 PHE HB3 . . rr_1kwj 1 75 1 . . 1 1 4 4 VAL HB H . . . 1 1 15 15 PHE CG C . . . . . . . 7.5 . . . . . A . 4 VAL HB . . A . 15 PHE CG . . . 4 VAL HB . . . . . 15 PHE CG . . rr_1kwj 1 76 1 . . 1 1 4 4 VAL MG1 H . . . 1 1 5 5 THR H H . . . . . . . 5.5 . . . . . A . 4 VAL MG1 . . A . 5 THR H . . . 4 VAL QG1 . . . . . 5 THR HN . . rr_1kwj 1 77 1 . . 1 1 4 4 VAL MG1 H . . . 1 1 5 5 THR HA H . . . . . . . 6.5 . . . . . A . 4 VAL MG1 . . A . 5 THR HA . . . 4 VAL QG1 . . . . . 5 THR HA . . rr_1kwj 1 78 1 . . 1 1 4 4 VAL MG1 H . . . 1 1 5 5 THR HB H . . . . . . . 6.5 . . . . . A . 4 VAL MG1 . . A . 5 THR HB . . . 4 VAL QG1 . . . . . 5 THR HB . . rr_1kwj 1 79 1 . . 1 1 4 4 VAL MG1 H . . . 1 1 6 6 TYR H H . . . . . . . 6.5 . . . . . A . 4 VAL MG1 . . A . 6 TYR H . . . 4 VAL QG1 . . . . . 6 TYR HN . . rr_1kwj 1 80 1 . . 1 1 4 4 VAL MG1 H . . . 1 1 6 6 TYR CG C . . . . . . . 8.5 . . . . . A . 4 VAL MG1 . . A . 6 TYR CG . . . 4 VAL QG1 . . . . . 6 TYR CG . . rr_1kwj 1 81 1 . . 1 1 4 4 VAL MG1 H . . . 1 1 6 6 TYR CZ C . . . . . . . 8.5 . . . . . A . 4 VAL MG1 . . A . 6 TYR CZ . . . 4 VAL QG1 . . . . . 6 TYR CZ . . rr_1kwj 1 82 1 . . 1 1 15 15 PHE H H . . . 1 1 4 4 VAL MG1 H . . . . . . . 6.5 . . . . . A . 15 PHE H . . A . 4 VAL MG1 . . . 15 PHE HN . . . . . 4 VAL QG1 . . rr_1kwj 1 83 1 . . 1 1 4 4 VAL MG1 H . . . 1 1 15 15 PHE HB2 H . . . . . . . 6.5 . . . . . A . 4 VAL MG1 . . A . 15 PHE HB2 . . . 4 VAL QG1 . . . . . 15 PHE HB2 . . rr_1kwj 1 84 1 . . 1 1 4 4 VAL MG1 H . . . 1 1 15 15 PHE CG C . . . . . . . 8.5 . . . . . A . 4 VAL MG1 . . A . 15 PHE CG . . . 4 VAL QG1 . . . . . 15 PHE CG . . rr_1kwj 1 85 1 . . 1 1 4 4 VAL MG1 H . . . 1 1 15 15 PHE CZ C . . . . . . . 8.5 . . . . . A . 4 VAL MG1 . . A . 15 PHE CZ . . . 4 VAL QG1 . . . . . 15 PHE CZ . . rr_1kwj 1 86 1 . . 1 1 4 4 VAL MG2 H . . . 1 1 5 5 THR H H . . . . . . . 6.5 . . . . . A . 4 VAL MG2 . . A . 5 THR H . . . 4 VAL QG2 . . . . . 5 THR HN . . rr_1kwj 1 87 1 . . 1 1 4 4 VAL MG2 H . . . 1 1 6 6 TYR HB2 H . . . . . . . 5.8 . . . . . A . 4 VAL MG2 . . A . 6 TYR HB2 . . . 4 VAL QG2 . . . . . 6 TYR HB2 . . rr_1kwj 1 88 1 . . 1 1 4 4 VAL MG2 H . . . 1 1 6 6 TYR CZ C . . . . . . . 8.5 . . . . . A . 4 VAL MG2 . . A . 6 TYR CZ . . . 4 VAL QG2 . . . . . 6 TYR CZ . . rr_1kwj 1 89 1 . . 1 1 4 4 VAL MG2 H . . . 1 1 15 15 PHE H H . . . . . . . 6.5 . . . . . A . 4 VAL MG2 . . A . 15 PHE H . . . 4 VAL QG2 . . . . . 15 PHE HN . . rr_1kwj 1 90 1 . . 1 1 4 4 VAL MG2 H . . . 1 1 15 15 PHE HB2 H . . . . . . . 6.5 . . . . . A . 4 VAL MG2 . . A . 15 PHE HB2 . . . 4 VAL QG2 . . . . . 15 PHE HB2 . . rr_1kwj 1 91 1 . . 1 1 4 4 VAL MG2 H . . . 1 1 15 15 PHE CG C . . . . . . . 8.5 . . . . . A . 4 VAL MG2 . . A . 15 PHE CG . . . 4 VAL QG2 . . . . . 15 PHE CG . . rr_1kwj 1 92 1 . . 1 1 4 4 VAL MG2 H . . . 1 1 17 17 HIS H H . . . . . . . 6.5 . . . . . A . 4 VAL MG2 . . A . 17 HIS H . . . 4 VAL QG2 . . . . . 17 HIS HN . . rr_1kwj 1 93 1 . . 1 1 4 4 VAL MG2 H . . . 1 1 17 17 HIS HB2 H . . . . . . . 6.5 . . . . . A . 4 VAL MG2 . . A . 17 HIS HB2 . . . 4 VAL QG2 . . . . . 17 HIS HB2 . . rr_1kwj 1 94 1 . . 1 1 4 4 VAL MG2 H . . . 1 1 17 17 HIS HB3 H . . . . . . . 6.5 . . . . . A . 4 VAL MG2 . . A . 17 HIS HB3 . . . 4 VAL QG2 . . . . . 17 HIS HB3 . . rr_1kwj 1 95 1 . . 1 1 4 4 VAL MG2 H . . . 1 1 18 18 LYS H H . . . . . . . 6.5 . . . . . A . 4 VAL MG2 . . A . 18 LYS H . . . 4 VAL QG2 . . . . . 18 LYS+ HN . . rr_1kwj 1 96 1 . . 1 1 5 5 THR H H . . . 1 1 5 5 THR HA H . . . . . . . 4.5 . . . . . A . 5 THR H . . A . 5 THR HA . . . 5 THR HN . . . . . 5 THR HA . . rr_1kwj 1 97 1 . . 1 1 5 5 THR H H . . . 1 1 5 5 THR HB H . . . . . . . 3.8 . . . . . A . 5 THR H . . A . 5 THR HB . . . 5 THR HN . . . . . 5 THR HB . . rr_1kwj 1 98 1 . . 1 1 5 5 THR H H . . . 1 1 5 5 THR MG H . . . . . . . 6.0 . . . . . A . 5 THR H . . A . 5 THR MG . . . 5 THR HN . . . . . 5 THR QG2 . . rr_1kwj 1 99 1 . . 1 1 5 5 THR H H . . . 1 1 6 6 TYR H H . . . . . . . 5.5 . . . . . A . 5 THR H . . A . 6 TYR H . . . 5 THR HN . . . . . 6 TYR HN . . rr_1kwj 1 100 1 . . 1 1 5 5 THR HA H . . . 1 1 5 5 THR HB H . . . . . . . 4.2 . . . . . A . 5 THR HA . . A . 5 THR HB . . . 5 THR HA . . . . . 5 THR HB . . rr_1kwj 1 101 1 . . 1 1 5 5 THR HA H . . . 1 1 5 5 THR MG H . . . . . . . 4.5 . . . . . A . 5 THR HA . . A . 5 THR MG . . . 5 THR HA . . . . . 5 THR QG2 . . rr_1kwj 1 102 1 . . 1 1 5 5 THR HA H . . . 1 1 6 6 TYR H H . . . . . . . 3.1 . . . . . A . 5 THR HA . . A . 6 TYR H . . . 5 THR HA . . . . . 6 TYR HN . . rr_1kwj 1 103 1 . . 1 1 5 5 THR HA H . . . 1 1 6 6 TYR HB2 H . . . . . . . 5.2 . . . . . A . 5 THR HA . . A . 6 TYR HB2 . . . 5 THR HA . . . . . 6 TYR HB2 . . rr_1kwj 1 104 1 . . 1 1 5 5 THR HA H . . . 1 1 6 6 TYR HB3 H . . . . . . . 5.5 . . . . . A . 5 THR HA . . A . 6 TYR HB3 . . . 5 THR HA . . . . . 6 TYR HB3 . . rr_1kwj 1 105 1 . . 1 1 5 5 THR HA H . . . 1 1 6 6 TYR CG C . . . . . . . 7.5 . . . . . A . 5 THR HA . . A . 6 TYR CG . . . 5 THR HA . . . . . 6 TYR CG . . rr_1kwj 1 106 1 . . 1 1 5 5 THR HA H . . . 1 1 13 13 VAL H H . . . . . . . 5.5 . . . . . A . 5 THR HA . . A . 13 VAL H . . . 5 THR HA . . . . . 13 VAL HN . . rr_1kwj 1 107 1 . . 1 1 5 5 THR HA H . . . 1 1 14 14 THR H H . . . . . . . 5.1 . . . . . A . 5 THR HA . . A . 14 THR H . . . 5 THR HA . . . . . 14 THR HN . . rr_1kwj 1 108 1 . . 1 1 5 5 THR HA H . . . 1 1 14 14 THR HA H . . . . . . . 3.9 . . . . . A . 5 THR HA . . A . 14 THR HA . . . 5 THR HA . . . . . 14 THR HA . . rr_1kwj 1 109 1 . . 1 1 14 14 THR MG H . . . 1 1 5 5 THR HA H . . . . . . . 6.5 . . . . . A . 14 THR MG . . A . 5 THR HA . . . 14 THR QG2 . . . . . 5 THR HA . . rr_1kwj 1 110 1 . . 1 1 15 15 PHE H H . . . 1 1 5 5 THR HA H . . . . . . . 4.2 . . . . . A . 15 PHE H . . A . 5 THR HA . . . 15 PHE HN . . . . . 5 THR HA . . rr_1kwj 1 111 1 . . 1 1 5 5 THR HB H . . . 1 1 5 5 THR MG H . . . . . . . 4.2 . . . . . A . 5 THR HB . . A . 5 THR MG . . . 5 THR HB . . . . . 5 THR QG2 . . rr_1kwj 1 112 1 . . 1 1 5 5 THR HB H . . . 1 1 6 6 TYR H H . . . . . . . 5.0 . . . . . A . 5 THR HB . . A . 6 TYR H . . . 5 THR HB . . . . . 6 TYR HN . . rr_1kwj 1 113 1 . . 1 1 5 5 THR HB H . . . 1 1 7 7 GLU HG2 H . . . . . . . 5.5 . . . . . A . 5 THR HB . . A . 7 GLU HG2 . . . 5 THR HB . . . . . 7 GLU- HG2 . . rr_1kwj 1 114 1 . . 1 1 6 6 TYR H H . . . 1 1 5 5 THR MG H . . . . . . . 5.7 . . . . . A . 6 TYR H . . A . 5 THR MG . . . 6 TYR HN . . . . . 5 THR QG2 . . rr_1kwj 1 115 1 . . 1 1 5 5 THR MG H . . . 1 1 7 7 GLU H H . . . . . . . 6.5 . . . . . A . 5 THR MG . . A . 7 GLU H . . . 5 THR QG2 . . . . . 7 GLU- HN . . rr_1kwj 1 116 1 . . 1 1 5 5 THR MG H . . . 1 1 7 7 GLU HG2 H . . . . . . . 6.5 . . . . . A . 5 THR MG . . A . 7 GLU HG2 . . . 5 THR QG2 . . . . . 7 GLU- HG2 . . rr_1kwj 1 117 1 . . 1 1 5 5 THR MG H . . . 1 1 7 7 GLU HG3 H . . . . . . . 6.4 . . . . . A . 5 THR MG . . A . 7 GLU HG3 . . . 5 THR QG2 . . . . . 7 GLU- HG3 . . rr_1kwj 1 118 1 . . 1 1 5 5 THR MG H . . . 1 1 12 12 ASN HA H . . . . . . . 6.1 . . . . . A . 5 THR MG . . A . 12 ASN HA . . . 5 THR QG2 . . . . . 12 ASN HA . . rr_1kwj 1 119 1 . . 1 1 5 5 THR MG H . . . 1 1 12 12 ASN HB2 H . . . . . . . 5.6 . . . . . A . 5 THR MG . . A . 12 ASN HB2 . . . 5 THR QG2 . . . . . 12 ASN HB2 . . rr_1kwj 1 120 1 . . 1 1 5 5 THR MG H . . . 1 1 12 12 ASN HB3 H . . . . . . . 5.2 . . . . . A . 5 THR MG . . A . 12 ASN HB3 . . . 5 THR QG2 . . . . . 12 ASN HB3 . . rr_1kwj 1 121 1 . . 1 1 5 5 THR MG H . . . 1 1 12 12 ASN HD21 H . . . . . . . 6.1 . . . . . A . 5 THR MG . . A . 12 ASN HD21 . . . 5 THR QG2 . . . . . 12 ASN HD21 . . rr_1kwj 1 122 1 . . 1 1 5 5 THR MG H . . . 1 1 12 12 ASN HD22 H . . . . . . . 6.4 . . . . . A . 5 THR MG . . A . 12 ASN HD22 . . . 5 THR QG2 . . . . . 12 ASN HD22 . . rr_1kwj 1 123 1 . . 1 1 5 5 THR MG H . . . 1 1 13 13 VAL H H . . . . . . . 6.5 . . . . . A . 5 THR MG . . A . 13 VAL H . . . 5 THR QG2 . . . . . 13 VAL HN . . rr_1kwj 1 124 1 . . 1 1 5 5 THR MG H . . . 1 1 14 14 THR HA H . . . . . . . 5.8 . . . . . A . 5 THR MG . . A . 14 THR HA . . . 5 THR QG2 . . . . . 14 THR HA . . rr_1kwj 1 125 1 . . 1 1 6 6 TYR H H . . . 1 1 6 6 TYR HA H . . . . . . . 3.8 . . . . . A . 6 TYR H . . A . 6 TYR HA . . . 6 TYR HN . . . . . 6 TYR HA . . rr_1kwj 1 126 1 . . 1 1 6 6 TYR H H . . . 1 1 6 6 TYR HB2 H . . . . . . . 3.5 . . . . . A . 6 TYR H . . A . 6 TYR HB2 . . . 6 TYR HN . . . . . 6 TYR HB2 . . rr_1kwj 1 127 1 . . 1 1 6 6 TYR H H . . . 1 1 6 6 TYR HB3 H . . . . . . . 3.9 . . . . . A . 6 TYR H . . A . 6 TYR HB3 . . . 6 TYR HN . . . . . 6 TYR HB3 . . rr_1kwj 1 128 1 . . 1 1 6 6 TYR H H . . . 1 1 6 6 TYR CG C . . . . . . . 6.0 . . . . . A . 6 TYR H . . A . 6 TYR CG . . . 6 TYR HN . . . . . 6 TYR CG . . rr_1kwj 1 129 1 . . 1 1 6 6 TYR CZ C . . . 1 1 6 6 TYR H H . . . . . . . 6.5 . . . . . A . 6 TYR CZ . . A . 6 TYR H . . . 6 TYR CZ . . . . . 6 TYR HN . . rr_1kwj 1 130 1 . . 1 1 6 6 TYR H H . . . 1 1 7 7 GLU H H . . . . . . . 5.5 . . . . . A . 6 TYR H . . A . 7 GLU H . . . 6 TYR HN . . . . . 7 GLU- HN . . rr_1kwj 1 131 1 . . 1 1 6 6 TYR H H . . . 1 1 12 12 ASN HA H . . . . . . . 5.2 . . . . . A . 6 TYR H . . A . 12 ASN HA . . . 6 TYR HN . . . . . 12 ASN HA . . rr_1kwj 1 132 1 . . 1 1 6 6 TYR H H . . . 1 1 12 12 ASN HB3 H . . . . . . . 5.5 . . . . . A . 6 TYR H . . A . 12 ASN HB3 . . . 6 TYR HN . . . . . 12 ASN HB3 . . rr_1kwj 1 133 1 . . 1 1 6 6 TYR H H . . . 1 1 13 13 VAL H H . . . . . . . 3.4 . . . . . A . 6 TYR H . . A . 13 VAL H . . . 6 TYR HN . . . . . 13 VAL HN . . rr_1kwj 1 134 1 . . 1 1 6 6 TYR H H . . . 1 1 13 13 VAL HA H . . . . . . . 5.5 . . . . . A . 6 TYR H . . A . 13 VAL HA . . . 6 TYR HN . . . . . 13 VAL HA . . rr_1kwj 1 135 1 . . 1 1 6 6 TYR H H . . . 1 1 13 13 VAL MG1 H . . . . . . . 6.5 . . . . . A . 6 TYR H . . A . 13 VAL MG1 . . . 6 TYR HN . . . . . 13 VAL QG1 . . rr_1kwj 1 136 1 . . 1 1 6 6 TYR H H . . . 1 1 13 13 VAL MG2 H . . . . . . . 6.5 . . . . . A . 6 TYR H . . A . 13 VAL MG2 . . . 6 TYR HN . . . . . 13 VAL QG2 . . rr_1kwj 1 137 1 . . 1 1 6 6 TYR H H . . . 1 1 14 14 THR H H . . . . . . . 4.5 . . . . . A . 6 TYR H . . A . 14 THR H . . . 6 TYR HN . . . . . 14 THR HN . . rr_1kwj 1 138 1 . . 1 1 6 6 TYR H H . . . 1 1 14 14 THR HA H . . . . . . . 4.7 . . . . . A . 6 TYR H . . A . 14 THR HA . . . 6 TYR HN . . . . . 14 THR HA . . rr_1kwj 1 139 1 . . 1 1 14 14 THR MG H . . . 1 1 6 6 TYR H H . . . . . . . 6.5 . . . . . A . 14 THR MG . . A . 6 TYR H . . . 14 THR QG2 . . . . . 6 TYR HN . . rr_1kwj 1 140 1 . . 1 1 15 15 PHE H H . . . 1 1 6 6 TYR H H . . . . . . . 4.1 . . . . . A . 15 PHE H . . A . 6 TYR H . . . 15 PHE HN . . . . . 6 TYR HN . . rr_1kwj 1 141 1 . . 1 1 6 6 TYR CG C . . . 1 1 6 6 TYR HA H . . . . . . . 4.6 . . . . . A . 6 TYR CG . . A . 6 TYR HA . . . 6 TYR CG . . . . . 6 TYR HA . . rr_1kwj 1 142 1 . . 1 1 7 7 GLU H H . . . 1 1 6 6 TYR HA H . . . . . . . 5.1 . . . . . A . 7 GLU H . . A . 6 TYR HA . . . 7 GLU- HN . . . . . 6 TYR HA . . rr_1kwj 1 143 1 . . 1 1 6 6 TYR CG C . . . 1 1 6 6 TYR HB2 H . . . . . . . 5.2 . . . . . A . 6 TYR CG . . A . 6 TYR HB2 . . . 6 TYR CG . . . . . 6 TYR HB2 . . rr_1kwj 1 144 1 . . 1 1 6 6 TYR CZ C . . . 1 1 6 6 TYR HB2 H . . . . . . . 7.5 . . . . . A . 6 TYR CZ . . A . 6 TYR HB2 . . . 6 TYR CZ . . . . . 6 TYR HB2 . . rr_1kwj 1 145 1 . . 1 1 6 6 TYR HB2 H . . . 1 1 7 7 GLU H H . . . . . . . 5.5 . . . . . A . 6 TYR HB2 . . A . 7 GLU H . . . 6 TYR HB2 . . . . . 7 GLU- HN . . rr_1kwj 1 146 1 . . 1 1 6 6 TYR HB2 H . . . 1 1 8 8 ASN HD21 H . . . . . . . 5.0 . . . . . A . 6 TYR HB2 . . A . 8 ASN HD21 . . . 6 TYR HB2 . . . . . 8 ASN HD21 . . rr_1kwj 1 147 1 . . 1 1 6 6 TYR HB2 H . . . 1 1 8 8 ASN HD22 H . . . . . . . 5.5 . . . . . A . 6 TYR HB2 . . A . 8 ASN HD22 . . . 6 TYR HB2 . . . . . 8 ASN HD22 . . rr_1kwj 1 148 1 . . 1 1 6 6 TYR HB2 H . . . 1 1 13 13 VAL H H . . . . . . . 4.0 . . . . . A . 6 TYR HB2 . . A . 13 VAL H . . . 6 TYR HB2 . . . . . 13 VAL HN . . rr_1kwj 1 149 1 . . 1 1 6 6 TYR HB2 H . . . 1 1 13 13 VAL HA H . . . . . . . 5.5 . . . . . A . 6 TYR HB2 . . A . 13 VAL HA . . . 6 TYR HB2 . . . . . 13 VAL HA . . rr_1kwj 1 150 1 . . 1 1 6 6 TYR HB2 H . . . 1 1 13 13 VAL HB H . . . . . . . 5.5 . . . . . A . 6 TYR HB2 . . A . 13 VAL HB . . . 6 TYR HB2 . . . . . 13 VAL HB . . rr_1kwj 1 151 1 . . 1 1 6 6 TYR CG C . . . 1 1 6 6 TYR HB3 H . . . . . . . 5.3 . . . . . A . 6 TYR CG . . A . 6 TYR HB3 . . . 6 TYR CG . . . . . 6 TYR HB3 . . rr_1kwj 1 152 1 . . 1 1 6 6 TYR CZ C . . . 1 1 6 6 TYR HB3 H . . . . . . . 7.5 . . . . . A . 6 TYR CZ . . A . 6 TYR HB3 . . . 6 TYR CZ . . . . . 6 TYR HB3 . . rr_1kwj 1 153 1 . . 1 1 6 6 TYR HB3 H . . . 1 1 7 7 GLU H H . . . . . . . 5.3 . . . . . A . 6 TYR HB3 . . A . 7 GLU H . . . 6 TYR HB3 . . . . . 7 GLU- HN . . rr_1kwj 1 154 1 . . 1 1 6 6 TYR HB3 H . . . 1 1 8 8 ASN HD21 H . . . . . . . 5.1 . . . . . A . 6 TYR HB3 . . A . 8 ASN HD21 . . . 6 TYR HB3 . . . . . 8 ASN HD21 . . rr_1kwj 1 155 1 . . 1 1 6 6 TYR HB3 H . . . 1 1 8 8 ASN HD22 H . . . . . . . 5.5 . . . . . A . 6 TYR HB3 . . A . 8 ASN HD22 . . . 6 TYR HB3 . . . . . 8 ASN HD22 . . rr_1kwj 1 156 1 . . 1 1 6 6 TYR HB3 H . . . 1 1 12 12 ASN HB3 H . . . . . . . 4.5 . . . . . A . 6 TYR HB3 . . A . 12 ASN HB3 . . . 6 TYR HB3 . . . . . 12 ASN HB3 . . rr_1kwj 1 157 1 . . 1 1 6 6 TYR HB3 H . . . 1 1 13 13 VAL HB H . . . . . . . 5.5 . . . . . A . 6 TYR HB3 . . A . 13 VAL HB . . . 6 TYR HB3 . . . . . 13 VAL HB . . rr_1kwj 1 158 1 . . 1 1 6 6 TYR HB3 H . . . 1 1 39 39 ILE MG H . . . . . . . 6.5 . . . . . A . 6 TYR HB3 . . A . 39 ILE MG . . . 6 TYR HB3 . . . . . 39 ILE QG2 . . rr_1kwj 1 159 1 . . 1 1 6 6 TYR CZ C . . . 1 1 6 6 TYR CG C . . . . . . . 8.5 . . . . . A . 6 TYR CZ . . A . 6 TYR CG . . . 6 TYR CZ . . . . . 6 TYR CG . . rr_1kwj 1 160 1 . . 1 1 6 6 TYR CG C . . . 1 1 7 7 GLU H H . . . . . . . 7.5 . . . . . A . 6 TYR CG . . A . 7 GLU H . . . 6 TYR CG . . . . . 7 GLU- HN . . rr_1kwj 1 161 1 . . 1 1 6 6 TYR CG C . . . 1 1 7 7 GLU HG3 H . . . . . . . 6.4 . . . . . A . 6 TYR CG . . A . 7 GLU HG3 . . . 6 TYR CG . . . . . 7 GLU- HG3 . . rr_1kwj 1 162 1 . . 1 1 6 6 TYR CG C . . . 1 1 12 12 ASN HA H . . . . . . . 7.5 . . . . . A . 6 TYR CG . . A . 12 ASN HA . . . 6 TYR CG . . . . . 12 ASN HA . . rr_1kwj 1 163 1 . . 1 1 6 6 TYR CG C . . . 1 1 13 13 VAL H H . . . . . . . 7.5 . . . . . A . 6 TYR CG . . A . 13 VAL H . . . 6 TYR CG . . . . . 13 VAL HN . . rr_1kwj 1 164 1 . . 1 1 6 6 TYR CG C . . . 1 1 13 13 VAL MG1 H . . . . . . . 8.5 . . . . . A . 6 TYR CG . . A . 13 VAL MG1 . . . 6 TYR CG . . . . . 13 VAL QG1 . . rr_1kwj 1 165 1 . . 1 1 6 6 TYR CG C . . . 1 1 13 13 VAL MG2 H . . . . . . . 8.5 . . . . . A . 6 TYR CG . . A . 13 VAL MG2 . . . 6 TYR CG . . . . . 13 VAL QG2 . . rr_1kwj 1 166 1 . . 1 1 15 15 PHE H H . . . 1 1 6 6 TYR CG C . . . . . . . 7.4 . . . . . A . 15 PHE H . . A . 6 TYR CG . . . 15 PHE HN . . . . . 6 TYR CG . . rr_1kwj 1 167 1 . . 1 1 15 15 PHE HB2 H . . . 1 1 6 6 TYR CG C . . . . . . . 7.5 . . . . . A . 15 PHE HB2 . . A . 6 TYR CG . . . 15 PHE HB2 . . . . . 6 TYR CG . . rr_1kwj 1 168 1 . . 1 1 15 15 PHE HB3 H . . . 1 1 6 6 TYR CG C . . . . . . . 7.5 . . . . . A . 15 PHE HB3 . . A . 6 TYR CG . . . 15 PHE HB3 . . . . . 6 TYR CG . . rr_1kwj 1 169 1 . . 1 1 6 6 TYR CG C . . . 1 1 39 39 ILE HB H . . . . . . . 7.5 . . . . . A . 6 TYR CG . . A . 39 ILE HB . . . 6 TYR CG . . . . . 39 ILE HB . . rr_1kwj 1 170 1 . . 1 1 6 6 TYR CZ C . . . 1 1 13 13 VAL MG1 H . . . . . . . 8.5 . . . . . A . 6 TYR CZ . . A . 13 VAL MG1 . . . 6 TYR CZ . . . . . 13 VAL QG1 . . rr_1kwj 1 171 1 . . 1 1 6 6 TYR CZ C . . . 1 1 13 13 VAL MG2 H . . . . . . . 8.5 . . . . . A . 6 TYR CZ . . A . 13 VAL MG2 . . . 6 TYR CZ . . . . . 13 VAL QG2 . . rr_1kwj 1 172 1 . . 1 1 15 15 PHE HB3 H . . . 1 1 6 6 TYR CZ C . . . . . . . 6.2 . . . . . A . 15 PHE HB3 . . A . 6 TYR CZ . . . 15 PHE HB3 . . . . . 6 TYR CZ . . rr_1kwj 1 173 1 . . 1 1 6 6 TYR CZ C . . . 1 1 15 15 PHE CZ C . . . . . . . 9.5 . . . . . A . 6 TYR CZ . . A . 15 PHE CZ . . . 6 TYR CZ . . . . . 15 PHE CZ . . rr_1kwj 1 174 1 . . 1 1 6 6 TYR CZ C . . . 1 1 15 15 PHE HZ H . . . . . . . 6.6 . . . . . A . 6 TYR CZ . . A . 15 PHE HZ . . . 6 TYR CZ . . . . . 15 PHE HZ . . rr_1kwj 1 175 1 . . 1 1 6 6 TYR CZ C . . . 1 1 39 39 ILE H H . . . . . . . 7.5 . . . . . A . 6 TYR CZ . . A . 39 ILE H . . . 6 TYR CZ . . . . . 39 ILE HN . . rr_1kwj 1 176 1 . . 1 1 6 6 TYR CZ C . . . 1 1 39 39 ILE HB H . . . . . . . 6.7 . . . . . A . 6 TYR CZ . . A . 39 ILE HB . . . 6 TYR CZ . . . . . 39 ILE HB . . rr_1kwj 1 177 1 . . 1 1 6 6 TYR CZ C . . . 1 1 39 39 ILE MG H . . . . . . . 8.5 . . . . . A . 6 TYR CZ . . A . 39 ILE MG . . . 6 TYR CZ . . . . . 39 ILE QG2 . . rr_1kwj 1 178 1 . . 1 1 6 6 TYR CZ C . . . 1 1 39 39 ILE HG12 H . . . . . . . 7.5 . . . . . A . 6 TYR CZ . . A . 39 ILE HG12 . . . 6 TYR CZ . . . . . 39 ILE HG12 . . rr_1kwj 1 179 1 . . 1 1 6 6 TYR CZ C . . . 1 1 39 39 ILE HG13 H . . . . . . . 7.5 . . . . . A . 6 TYR CZ . . A . 39 ILE HG13 . . . 6 TYR CZ . . . . . 39 ILE HG13 . . rr_1kwj 1 180 1 . . 1 1 6 6 TYR CZ C . . . 1 1 39 39 ILE MD H . . . . . . . 8.5 . . . . . A . 6 TYR CZ . . A . 39 ILE MD . . . 6 TYR CZ . . . . . 39 ILE QD1 . . rr_1kwj 1 181 1 . . 1 1 7 7 GLU H H . . . 1 1 7 7 GLU HA H . . . . . . . 4.4 . . . . . A . 7 GLU H . . A . 7 GLU HA . . . 7 GLU- HN . . . . . 7 GLU- HA . . rr_1kwj 1 182 1 . . 1 1 7 7 GLU H H . . . 1 1 7 7 GLU HB2 H . . . . . . . 3.7 . . . . . A . 7 GLU H . . A . 7 GLU HB2 . . . 7 GLU- HN . . . . . 7 GLU- HB2 . . rr_1kwj 1 183 1 . . 1 1 7 7 GLU H H . . . 1 1 7 7 GLU HB3 H . . . . . . . 4.0 . . . . . A . 7 GLU H . . A . 7 GLU HB3 . . . 7 GLU- HN . . . . . 7 GLU- HB3 . . rr_1kwj 1 184 1 . . 1 1 7 7 GLU HG2 H . . . 1 1 7 7 GLU H H . . . . . . . 5.0 . . . . . A . 7 GLU HG2 . . A . 7 GLU H . . . 7 GLU- HG2 . . . . . 7 GLU- HN . . rr_1kwj 1 185 1 . . 1 1 7 7 GLU H H . . . 1 1 7 7 GLU HG3 H . . . . . . . 3.9 . . . . . A . 7 GLU H . . A . 7 GLU HG3 . . . 7 GLU- HN . . . . . 7 GLU- HG3 . . rr_1kwj 1 186 1 . . 1 1 13 13 VAL H H . . . 1 1 7 7 GLU H H . . . . . . . 5.5 . . . . . A . 13 VAL H . . A . 7 GLU H . . . 13 VAL HN . . . . . 7 GLU- HN . . rr_1kwj 1 187 1 . . 1 1 7 7 GLU HA H . . . 1 1 7 7 GLU HB2 H . . . . . . . 3.6 . . . . . A . 7 GLU HA . . A . 7 GLU HB2 . . . 7 GLU- HA . . . . . 7 GLU- HB2 . . rr_1kwj 1 188 1 . . 1 1 7 7 GLU HA H . . . 1 1 7 7 GLU HB3 H . . . . . . . 3.7 . . . . . A . 7 GLU HA . . A . 7 GLU HB3 . . . 7 GLU- HA . . . . . 7 GLU- HB3 . . rr_1kwj 1 189 1 . . 1 1 7 7 GLU HG2 H . . . 1 1 7 7 GLU HA H . . . . . . . 3.7 . . . . . A . 7 GLU HG2 . . A . 7 GLU HA . . . 7 GLU- HG2 . . . . . 7 GLU- HA . . rr_1kwj 1 190 1 . . 1 1 7 7 GLU HG3 H . . . 1 1 7 7 GLU HA H . . . . . . . 4.5 . . . . . A . 7 GLU HG3 . . A . 7 GLU HA . . . 7 GLU- HG3 . . . . . 7 GLU- HA . . rr_1kwj 1 191 1 . . 1 1 7 7 GLU HA H . . . 1 1 8 8 ASN H H . . . . . . . 3.2 . . . . . A . 7 GLU HA . . A . 8 ASN H . . . 7 GLU- HA . . . . . 8 ASN HN . . rr_1kwj 1 192 1 . . 1 1 8 8 ASN HD21 H . . . 1 1 7 7 GLU HA H . . . . . . . 4.7 . . . . . A . 8 ASN HD21 . . A . 7 GLU HA . . . 8 ASN HD21 . . . . . 7 GLU- HA . . rr_1kwj 1 193 1 . . 1 1 8 8 ASN HD22 H . . . 1 1 7 7 GLU HA H . . . . . . . 5.5 . . . . . A . 8 ASN HD22 . . A . 7 GLU HA . . . 8 ASN HD22 . . . . . 7 GLU- HA . . rr_1kwj 1 194 1 . . 1 1 12 12 ASN HA H . . . 1 1 7 7 GLU HA H . . . . . . . 3.4 . . . . . A . 12 ASN HA . . A . 7 GLU HA . . . 12 ASN HA . . . . . 7 GLU- HA . . rr_1kwj 1 195 1 . . 1 1 12 12 ASN HB3 H . . . 1 1 7 7 GLU HA H . . . . . . . 4.4 . . . . . A . 12 ASN HB3 . . A . 7 GLU HA . . . 12 ASN HB3 . . . . . 7 GLU- HA . . rr_1kwj 1 196 1 . . 1 1 12 12 ASN HD21 H . . . 1 1 7 7 GLU HA H . . . . . . . 5.5 . . . . . A . 12 ASN HD21 . . A . 7 GLU HA . . . 12 ASN HD21 . . . . . 7 GLU- HA . . rr_1kwj 1 197 1 . . 1 1 12 12 ASN HD22 H . . . 1 1 7 7 GLU HA H . . . . . . . 5.5 . . . . . A . 12 ASN HD22 . . A . 7 GLU HA . . . 12 ASN HD22 . . . . . 7 GLU- HA . . rr_1kwj 1 198 1 . . 1 1 13 13 VAL H H . . . 1 1 7 7 GLU HA H . . . . . . . 5.1 . . . . . A . 13 VAL H . . A . 7 GLU HA . . . 13 VAL HN . . . . . 7 GLU- HA . . rr_1kwj 1 199 1 . . 1 1 7 7 GLU HG2 H . . . 1 1 7 7 GLU HB2 H . . . . . . . 2.9 . . . . . A . 7 GLU HG2 . . A . 7 GLU HB2 . . . 7 GLU- HG2 . . . . . 7 GLU- HB2 . . rr_1kwj 1 200 1 . . 1 1 7 7 GLU HG3 H . . . 1 1 7 7 GLU HB2 H . . . . . . . 3.5 . . . . . A . 7 GLU HG3 . . A . 7 GLU HB2 . . . 7 GLU- HG3 . . . . . 7 GLU- HB2 . . rr_1kwj 1 201 1 . . 1 1 7 7 GLU HB2 H . . . 1 1 8 8 ASN H H . . . . . . . 5.2 . . . . . A . 7 GLU HB2 . . A . 8 ASN H . . . 7 GLU- HB2 . . . . . 8 ASN HN . . rr_1kwj 1 202 1 . . 1 1 7 7 GLU HG2 H . . . 1 1 7 7 GLU HB3 H . . . . . . . 2.8 . . . . . A . 7 GLU HG2 . . A . 7 GLU HB3 . . . 7 GLU- HG2 . . . . . 7 GLU- HB3 . . rr_1kwj 1 203 1 . . 1 1 7 7 GLU HG3 H . . . 1 1 7 7 GLU HB3 H . . . . . . . 3.6 . . . . . A . 7 GLU HG3 . . A . 7 GLU HB3 . . . 7 GLU- HG3 . . . . . 7 GLU- HB3 . . rr_1kwj 1 204 1 . . 1 1 7 7 GLU HB3 H . . . 1 1 8 8 ASN H H . . . . . . . 4.7 . . . . . A . 7 GLU HB3 . . A . 8 ASN H . . . 7 GLU- HB3 . . . . . 8 ASN HN . . rr_1kwj 1 205 1 . . 1 1 7 7 GLU HG2 H . . . 1 1 12 12 ASN HD21 H . . . . . . . 4.8 . . . . . A . 7 GLU HG2 . . A . 12 ASN HD21 . . . 7 GLU- HG2 . . . . . 12 ASN HD21 . . rr_1kwj 1 206 1 . . 1 1 7 7 GLU HG2 H . . . 1 1 12 12 ASN HD22 H . . . . . . . 4.5 . . . . . A . 7 GLU HG2 . . A . 12 ASN HD22 . . . 7 GLU- HG2 . . . . . 12 ASN HD22 . . rr_1kwj 1 207 1 . . 1 1 7 7 GLU HG3 H . . . 1 1 12 12 ASN HD22 H . . . . . . . 5.5 . . . . . A . 7 GLU HG3 . . A . 12 ASN HD22 . . . 7 GLU- HG3 . . . . . 12 ASN HD22 . . rr_1kwj 1 208 1 . . 1 1 8 8 ASN H H . . . 1 1 8 8 ASN HA H . . . . . . . 5.5 . . . . . A . 8 ASN H . . A . 8 ASN HA . . . 8 ASN HN . . . . . 8 ASN HA . . rr_1kwj 1 209 1 . . 1 1 8 8 ASN H H . . . 1 1 8 8 ASN HB2 H . . . . . . . 5.5 . . . . . A . 8 ASN H . . A . 8 ASN HB2 . . . 8 ASN HN . . . . . 8 ASN HB2 . . rr_1kwj 1 210 1 . . 1 1 8 8 ASN H H . . . 1 1 8 8 ASN HB3 H . . . . . . . 4.9 . . . . . A . 8 ASN H . . A . 8 ASN HB3 . . . 8 ASN HN . . . . . 8 ASN HB3 . . rr_1kwj 1 211 1 . . 1 1 8 8 ASN HD21 H . . . 1 1 8 8 ASN H H . . . . . . . 4.4 . . . . . A . 8 ASN HD21 . . A . 8 ASN H . . . 8 ASN HD21 . . . . . 8 ASN HN . . rr_1kwj 1 212 1 . . 1 1 8 8 ASN HD22 H . . . 1 1 8 8 ASN H H . . . . . . . 5.1 . . . . . A . 8 ASN HD22 . . A . 8 ASN H . . . 8 ASN HD22 . . . . . 8 ASN HN . . rr_1kwj 1 213 1 . . 1 1 8 8 ASN H H . . . 1 1 10 10 ALA H H . . . . . . . 4.7 . . . . . A . 8 ASN H . . A . 10 ALA H . . . 8 ASN HN . . . . . 10 ALA HN . . rr_1kwj 1 214 1 . . 1 1 8 8 ASN H H . . . 1 1 11 11 GLY H H . . . . . . . 4.5 . . . . . A . 8 ASN H . . A . 11 GLY H . . . 8 ASN HN . . . . . 11 GLY HN . . rr_1kwj 1 215 1 . . 1 1 8 8 ASN H H . . . 1 1 12 12 ASN H H . . . . . . . 5.5 . . . . . A . 8 ASN H . . A . 12 ASN H . . . 8 ASN HN . . . . . 12 ASN HN . . rr_1kwj 1 216 1 . . 1 1 12 12 ASN HA H . . . 1 1 8 8 ASN H H . . . . . . . 4.4 . . . . . A . 12 ASN HA . . A . 8 ASN H . . . 12 ASN HA . . . . . 8 ASN HN . . rr_1kwj 1 217 1 . . 1 1 13 13 VAL H H . . . 1 1 8 8 ASN H H . . . . . . . 4.8 . . . . . A . 13 VAL H . . A . 8 ASN H . . . 13 VAL HN . . . . . 8 ASN HN . . rr_1kwj 1 218 1 . . 1 1 8 8 ASN HA H . . . 1 1 8 8 ASN HB2 H . . . . . . . 3.5 . . . . . A . 8 ASN HA . . A . 8 ASN HB2 . . . 8 ASN HA . . . . . 8 ASN HB2 . . rr_1kwj 1 219 1 . . 1 1 8 8 ASN HA H . . . 1 1 8 8 ASN HB3 H . . . . . . . 3.1 . . . . . A . 8 ASN HA . . A . 8 ASN HB3 . . . 8 ASN HA . . . . . 8 ASN HB3 . . rr_1kwj 1 220 1 . . 1 1 8 8 ASN HD21 H . . . 1 1 8 8 ASN HA H . . . . . . . 5.5 . . . . . A . 8 ASN HD21 . . A . 8 ASN HA . . . 8 ASN HD21 . . . . . 8 ASN HA . . rr_1kwj 1 221 1 . . 1 1 8 8 ASN HA H . . . 1 1 9 9 ALA H H . . . . . . . 4.6 . . . . . A . 8 ASN HA . . A . 9 ALA H . . . 8 ASN HA . . . . . 9 ALA HN . . rr_1kwj 1 222 1 . . 1 1 8 8 ASN HA H . . . 1 1 9 9 ALA MB H . . . . . . . 4.9 . . . . . A . 8 ASN HA . . A . 9 ALA MB . . . 8 ASN HA . . . . . 9 ALA QB . . rr_1kwj 1 223 1 . . 1 1 8 8 ASN HD21 H . . . 1 1 8 8 ASN HB2 H . . . . . . . 3.7 . . . . . A . 8 ASN HD21 . . A . 8 ASN HB2 . . . 8 ASN HD21 . . . . . 8 ASN HB2 . . rr_1kwj 1 224 1 . . 1 1 8 8 ASN HD22 H . . . 1 1 8 8 ASN HB2 H . . . . . . . 4.3 . . . . . A . 8 ASN HD22 . . A . 8 ASN HB2 . . . 8 ASN HD22 . . . . . 8 ASN HB2 . . rr_1kwj 1 225 1 . . 1 1 8 8 ASN HB2 H . . . 1 1 9 9 ALA H H . . . . . . . 3.7 . . . . . A . 8 ASN HB2 . . A . 9 ALA H . . . 8 ASN HB2 . . . . . 9 ALA HN . . rr_1kwj 1 226 1 . . 1 1 8 8 ASN HB2 H . . . 1 1 10 10 ALA H H . . . . . . . 5.5 . . . . . A . 8 ASN HB2 . . A . 10 ALA H . . . 8 ASN HB2 . . . . . 10 ALA HN . . rr_1kwj 1 227 1 . . 1 1 8 8 ASN HD21 H . . . 1 1 8 8 ASN HB3 H . . . . . . . 3.3 . . . . . A . 8 ASN HD21 . . A . 8 ASN HB3 . . . 8 ASN HD21 . . . . . 8 ASN HB3 . . rr_1kwj 1 228 1 . . 1 1 8 8 ASN HD22 H . . . 1 1 8 8 ASN HB3 H . . . . . . . 5.3 . . . . . A . 8 ASN HD22 . . A . 8 ASN HB3 . . . 8 ASN HD22 . . . . . 8 ASN HB3 . . rr_1kwj 1 229 1 . . 1 1 8 8 ASN HB3 H . . . 1 1 9 9 ALA H H . . . . . . . 3.4 . . . . . A . 8 ASN HB3 . . A . 9 ALA H . . . 8 ASN HB3 . . . . . 9 ALA HN . . rr_1kwj 1 230 1 . . 1 1 8 8 ASN HB3 H . . . 1 1 10 10 ALA H H . . . . . . . 4.9 . . . . . A . 8 ASN HB3 . . A . 10 ALA H . . . 8 ASN HB3 . . . . . 10 ALA HN . . rr_1kwj 1 231 1 . . 1 1 8 8 ASN HB3 H . . . 1 1 11 11 GLY H H . . . . . . . 5.5 . . . . . A . 8 ASN HB3 . . A . 11 GLY H . . . 8 ASN HB3 . . . . . 11 GLY HN . . rr_1kwj 1 232 1 . . 1 1 8 8 ASN HD21 H . . . 1 1 11 11 GLY H H . . . . . . . 5.5 . . . . . A . 8 ASN HD21 . . A . 11 GLY H . . . 8 ASN HD21 . . . . . 11 GLY HN . . rr_1kwj 1 233 1 . . 1 1 12 12 ASN HA H . . . 1 1 8 8 ASN HD21 H . . . . . . . 3.9 . . . . . A . 12 ASN HA . . A . 8 ASN HD21 . . . 12 ASN HA . . . . . 8 ASN HD21 . . rr_1kwj 1 234 1 . . 1 1 13 13 VAL H H . . . 1 1 8 8 ASN HD21 H . . . . . . . 3.9 . . . . . A . 13 VAL H . . A . 8 ASN HD21 . . . 13 VAL HN . . . . . 8 ASN HD21 . . rr_1kwj 1 235 1 . . 1 1 8 8 ASN HD21 H . . . 1 1 13 13 VAL HB H . . . . . . . 5.2 . . . . . A . 8 ASN HD21 . . A . 13 VAL HB . . . 8 ASN HD21 . . . . . 13 VAL HB . . rr_1kwj 1 236 1 . . 1 1 13 13 VAL MG1 H . . . 1 1 8 8 ASN HD21 H . . . . . . . 6.5 . . . . . A . 13 VAL MG1 . . A . 8 ASN HD21 . . . 13 VAL QG1 . . . . . 8 ASN HD21 . . rr_1kwj 1 237 1 . . 1 1 8 8 ASN HD22 H . . . 1 1 11 11 GLY H H . . . . . . . 5.4 . . . . . A . 8 ASN HD22 . . A . 11 GLY H . . . 8 ASN HD22 . . . . . 11 GLY HN . . rr_1kwj 1 238 1 . . 1 1 12 12 ASN HA H . . . 1 1 8 8 ASN HD22 H . . . . . . . 3.9 . . . . . A . 12 ASN HA . . A . 8 ASN HD22 . . . 12 ASN HA . . . . . 8 ASN HD22 . . rr_1kwj 1 239 1 . . 1 1 13 13 VAL H H . . . 1 1 8 8 ASN HD22 H . . . . . . . 4.3 . . . . . A . 13 VAL H . . A . 8 ASN HD22 . . . 13 VAL HN . . . . . 8 ASN HD22 . . rr_1kwj 1 240 1 . . 1 1 8 8 ASN HD22 H . . . 1 1 13 13 VAL HB H . . . . . . . 4.7 . . . . . A . 8 ASN HD22 . . A . 13 VAL HB . . . 8 ASN HD22 . . . . . 13 VAL HB . . rr_1kwj 1 241 1 . . 1 1 13 13 VAL MG1 H . . . 1 1 8 8 ASN HD22 H . . . . . . . 6.5 . . . . . A . 13 VAL MG1 . . A . 8 ASN HD22 . . . 13 VAL QG1 . . . . . 8 ASN HD22 . . rr_1kwj 1 242 1 . . 1 1 9 9 ALA H H . . . 1 1 9 9 ALA HA H . . . . . . . 3.9 . . . . . A . 9 ALA H . . A . 9 ALA HA . . . 9 ALA HN . . . . . 9 ALA HA . . rr_1kwj 1 243 1 . . 1 1 9 9 ALA H H . . . 1 1 9 9 ALA MB H . . . . . . . 3.3 . . . . . A . 9 ALA H . . A . 9 ALA MB . . . 9 ALA HN . . . . . 9 ALA QB . . rr_1kwj 1 244 1 . . 1 1 10 10 ALA H H . . . 1 1 9 9 ALA H H . . . . . . . 3.9 . . . . . A . 10 ALA H . . A . 9 ALA H . . . 10 ALA HN . . . . . 9 ALA HN . . rr_1kwj 1 245 1 . . 1 1 11 11 GLY H H . . . 1 1 9 9 ALA H H . . . . . . . 5.0 . . . . . A . 11 GLY H . . A . 9 ALA H . . . 11 GLY HN . . . . . 9 ALA HN . . rr_1kwj 1 246 1 . . 1 1 9 9 ALA MB H . . . 1 1 9 9 ALA HA H . . . . . . . 3.3 . . . . . A . 9 ALA MB . . A . 9 ALA HA . . . 9 ALA QB . . . . . 9 ALA HA . . rr_1kwj 1 247 1 . . 1 1 10 10 ALA H H . . . 1 1 9 9 ALA HA H . . . . . . . 4.3 . . . . . A . 10 ALA H . . A . 9 ALA HA . . . 10 ALA HN . . . . . 9 ALA HA . . rr_1kwj 1 248 1 . . 1 1 11 11 GLY H H . . . 1 1 9 9 ALA HA H . . . . . . . 5.5 . . . . . A . 11 GLY H . . A . 9 ALA HA . . . 11 GLY HN . . . . . 9 ALA HA . . rr_1kwj 1 249 1 . . 1 1 10 10 ALA H H . . . 1 1 9 9 ALA MB H . . . . . . . 4.2 . . . . . A . 10 ALA H . . A . 9 ALA MB . . . 10 ALA HN . . . . . 9 ALA QB . . rr_1kwj 1 250 1 . . 1 1 11 11 GLY H H . . . 1 1 9 9 ALA MB H . . . . . . . 5.3 . . . . . A . 11 GLY H . . A . 9 ALA MB . . . 11 GLY HN . . . . . 9 ALA QB . . rr_1kwj 1 251 1 . . 1 1 10 10 ALA H H . . . 1 1 10 10 ALA HA H . . . . . . . 4.1 . . . . . A . 10 ALA H . . A . 10 ALA HA . . . 10 ALA HN . . . . . 10 ALA HA . . rr_1kwj 1 252 1 . . 1 1 10 10 ALA H H . . . 1 1 10 10 ALA MB H . . . . . . . 4.2 . . . . . A . 10 ALA H . . A . 10 ALA MB . . . 10 ALA HN . . . . . 10 ALA QB . . rr_1kwj 1 253 1 . . 1 1 10 10 ALA H H . . . 1 1 11 11 GLY H H . . . . . . . 3.2 . . . . . A . 10 ALA H . . A . 11 GLY H . . . 10 ALA HN . . . . . 11 GLY HN . . rr_1kwj 1 254 1 . . 1 1 10 10 ALA H H . . . 1 1 11 11 GLY HA2 H . . . . . . . 5.5 . . . . . A . 10 ALA H . . A . 11 GLY HA2 . . . 10 ALA HN . . . . . 11 GLY HA1 . . rr_1kwj 1 255 1 . . 1 1 11 11 GLY H H . . . 1 1 10 10 ALA MB H . . . . . . . 5.6 . . . . . A . 11 GLY H . . A . 10 ALA MB . . . 11 GLY HN . . . . . 10 ALA QB . . rr_1kwj 1 256 1 . . 1 1 11 11 GLY H H . . . 1 1 11 11 GLY HA2 H . . . . . . . 3.3 . . . . . A . 11 GLY H . . A . 11 GLY HA2 . . . 11 GLY HN . . . . . 11 GLY HA1 . . rr_1kwj 1 257 1 . . 1 1 11 11 GLY H H . . . 1 1 11 11 GLY HA3 H . . . . . . . 3.7 . . . . . A . 11 GLY H . . A . 11 GLY HA3 . . . 11 GLY HN . . . . . 11 GLY HA2 . . rr_1kwj 1 258 1 . . 1 1 11 11 GLY H H . . . 1 1 12 12 ASN H H . . . . . . . 4.4 . . . . . A . 11 GLY H . . A . 12 ASN H . . . 11 GLY HN . . . . . 12 ASN HN . . rr_1kwj 1 259 1 . . 1 1 12 12 ASN H H . . . 1 1 11 11 GLY HA2 H . . . . . . . 3.1 . . . . . A . 12 ASN H . . A . 11 GLY HA2 . . . 12 ASN HN . . . . . 11 GLY HA1 . . rr_1kwj 1 260 1 . . 1 1 12 12 ASN HA H . . . 1 1 11 11 GLY HA2 H . . . . . . . 5.5 . . . . . A . 12 ASN HA . . A . 11 GLY HA2 . . . 12 ASN HA . . . . . 11 GLY HA1 . . rr_1kwj 1 261 1 . . 1 1 11 11 GLY HA2 H . . . 1 1 67 67 ILE H H . . . . . . . 4.6 . . . . . A . 11 GLY HA2 . . A . 67 ILE H . . . 11 GLY HA1 . . . . . 67 ILE HN . . rr_1kwj 1 262 1 . . 1 1 11 11 GLY HA2 H . . . 1 1 67 67 ILE HG12 H . . . . . . . 4.5 . . . . . A . 11 GLY HA2 . . A . 67 ILE HG12 . . . 11 GLY HA1 . . . . . 67 ILE HG12 . . rr_1kwj 1 263 1 . . 1 1 12 12 ASN H H . . . 1 1 11 11 GLY HA3 H . . . . . . . 3.4 . . . . . A . 12 ASN H . . A . 11 GLY HA3 . . . 12 ASN HN . . . . . 11 GLY HA2 . . rr_1kwj 1 264 1 . . 1 1 12 12 ASN HA H . . . 1 1 11 11 GLY HA3 H . . . . . . . 5.3 . . . . . A . 12 ASN HA . . A . 11 GLY HA3 . . . 12 ASN HA . . . . . 11 GLY HA2 . . rr_1kwj 1 265 1 . . 1 1 11 11 GLY HA3 H . . . 1 1 67 67 ILE H H . . . . . . . 4.5 . . . . . A . 11 GLY HA3 . . A . 67 ILE H . . . 11 GLY HA2 . . . . . 67 ILE HN . . rr_1kwj 1 266 1 . . 1 1 11 11 GLY HA3 H . . . 1 1 68 68 LYS HA H . . . . . . . 5.5 . . . . . A . 11 GLY HA3 . . A . 68 LYS HA . . . 11 GLY HA2 . . . . . 68 LYS+ HA . . rr_1kwj 1 267 1 . . 1 1 11 11 GLY HA3 H . . . 1 1 68 68 LYS HB2 H . . . . . . . 5.5 . . . . . A . 11 GLY HA3 . . A . 68 LYS HB2 . . . 11 GLY HA2 . . . . . 68 LYS+ HB2 . . rr_1kwj 1 268 1 . . 1 1 12 12 ASN HA H . . . 1 1 12 12 ASN H H . . . . . . . 3.8 . . . . . A . 12 ASN HA . . A . 12 ASN H . . . 12 ASN HA . . . . . 12 ASN HN . . rr_1kwj 1 269 1 . . 1 1 12 12 ASN HB2 H . . . 1 1 12 12 ASN H H . . . . . . . 3.6 . . . . . A . 12 ASN HB2 . . A . 12 ASN H . . . 12 ASN HB2 . . . . . 12 ASN HN . . rr_1kwj 1 270 1 . . 1 1 12 12 ASN HB3 H . . . 1 1 12 12 ASN H H . . . . . . . 4.2 . . . . . A . 12 ASN HB3 . . A . 12 ASN H . . . 12 ASN HB3 . . . . . 12 ASN HN . . rr_1kwj 1 271 1 . . 1 1 12 12 ASN HD21 H . . . 1 1 12 12 ASN H H . . . . . . . 5.5 . . . . . A . 12 ASN HD21 . . A . 12 ASN H . . . 12 ASN HD21 . . . . . 12 ASN HN . . rr_1kwj 1 272 1 . . 1 1 12 12 ASN HD22 H . . . 1 1 12 12 ASN H H . . . . . . . 5.5 . . . . . A . 12 ASN HD22 . . A . 12 ASN H . . . 12 ASN HD22 . . . . . 12 ASN HN . . rr_1kwj 1 273 1 . . 1 1 13 13 VAL H H . . . 1 1 12 12 ASN H H . . . . . . . 5.0 . . . . . A . 13 VAL H . . A . 12 ASN H . . . 13 VAL HN . . . . . 12 ASN HN . . rr_1kwj 1 274 1 . . 1 1 12 12 ASN HA H . . . 1 1 12 12 ASN HB2 H . . . . . . . 3.8 . . . . . A . 12 ASN HA . . A . 12 ASN HB2 . . . 12 ASN HA . . . . . 12 ASN HB2 . . rr_1kwj 1 275 1 . . 1 1 12 12 ASN HA H . . . 1 1 12 12 ASN HB3 H . . . . . . . 3.6 . . . . . A . 12 ASN HA . . A . 12 ASN HB3 . . . 12 ASN HA . . . . . 12 ASN HB3 . . rr_1kwj 1 276 1 . . 1 1 12 12 ASN HA H . . . 1 1 12 12 ASN HD21 H . . . . . . . 4.6 . . . . . A . 12 ASN HA . . A . 12 ASN HD21 . . . 12 ASN HA . . . . . 12 ASN HD21 . . rr_1kwj 1 277 1 . . 1 1 13 13 VAL H H . . . 1 1 12 12 ASN HA H . . . . . . . 2.8 . . . . . A . 13 VAL H . . A . 12 ASN HA . . . 13 VAL HN . . . . . 12 ASN HA . . rr_1kwj 1 278 1 . . 1 1 12 12 ASN HA H . . . 1 1 13 13 VAL MG1 H . . . . . . . 6.5 . . . . . A . 12 ASN HA . . A . 13 VAL MG1 . . . 12 ASN HA . . . . . 13 VAL QG1 . . rr_1kwj 1 279 1 . . 1 1 12 12 ASN HB2 H . . . 1 1 12 12 ASN HD21 H . . . . . . . 3.6 . . . . . A . 12 ASN HB2 . . A . 12 ASN HD21 . . . 12 ASN HB2 . . . . . 12 ASN HD21 . . rr_1kwj 1 280 1 . . 1 1 12 12 ASN HB2 H . . . 1 1 12 12 ASN HD22 H . . . . . . . 4.3 . . . . . A . 12 ASN HB2 . . A . 12 ASN HD22 . . . 12 ASN HB2 . . . . . 12 ASN HD22 . . rr_1kwj 1 281 1 . . 1 1 13 13 VAL H H . . . 1 1 12 12 ASN HB2 H . . . . . . . 4.1 . . . . . A . 13 VAL H . . A . 12 ASN HB2 . . . 13 VAL HN . . . . . 12 ASN HB2 . . rr_1kwj 1 282 1 . . 1 1 12 12 ASN HB3 H . . . 1 1 12 12 ASN HD21 H . . . . . . . 3.9 . . . . . A . 12 ASN HB3 . . A . 12 ASN HD21 . . . 12 ASN HB3 . . . . . 12 ASN HD21 . . rr_1kwj 1 283 1 . . 1 1 12 12 ASN HB3 H . . . 1 1 12 12 ASN HD22 H . . . . . . . 4.5 . . . . . A . 12 ASN HB3 . . A . 12 ASN HD22 . . . 12 ASN HB3 . . . . . 12 ASN HD22 . . rr_1kwj 1 284 1 . . 1 1 13 13 VAL H H . . . 1 1 12 12 ASN HB3 H . . . . . . . 3.8 . . . . . A . 13 VAL H . . A . 12 ASN HB3 . . . 13 VAL HN . . . . . 12 ASN HB3 . . rr_1kwj 1 285 1 . . 1 1 13 13 VAL H H . . . 1 1 12 12 ASN HD21 H . . . . . . . 5.5 . . . . . A . 13 VAL H . . A . 12 ASN HD21 . . . 13 VAL HN . . . . . 12 ASN HD21 . . rr_1kwj 1 286 1 . . 1 1 13 13 VAL H H . . . 1 1 13 13 VAL HA H . . . . . . . 3.8 . . . . . A . 13 VAL H . . A . 13 VAL HA . . . 13 VAL HN . . . . . 13 VAL HA . . rr_1kwj 1 287 1 . . 1 1 13 13 VAL H H . . . 1 1 13 13 VAL HB H . . . . . . . 4.3 . . . . . A . 13 VAL H . . A . 13 VAL HB . . . 13 VAL HN . . . . . 13 VAL HB . . rr_1kwj 1 288 1 . . 1 1 13 13 VAL H H . . . 1 1 13 13 VAL MG1 H . . . . . . . 4.5 . . . . . A . 13 VAL H . . A . 13 VAL MG1 . . . 13 VAL HN . . . . . 13 VAL QG1 . . rr_1kwj 1 289 1 . . 1 1 13 13 VAL H H . . . 1 1 13 13 VAL MG2 H . . . . . . . 6.3 . . . . . A . 13 VAL H . . A . 13 VAL MG2 . . . 13 VAL HN . . . . . 13 VAL QG2 . . rr_1kwj 1 290 1 . . 1 1 13 13 VAL H H . . . 1 1 14 14 THR H H . . . . . . . 4.5 . . . . . A . 13 VAL H . . A . 14 THR H . . . 13 VAL HN . . . . . 14 THR HN . . rr_1kwj 1 291 1 . . 1 1 13 13 VAL H H . . . 1 1 67 67 ILE H H . . . . . . . 5.5 . . . . . A . 13 VAL H . . A . 67 ILE H . . . 13 VAL HN . . . . . 67 ILE HN . . rr_1kwj 1 292 1 . . 1 1 13 13 VAL HA H . . . 1 1 13 13 VAL HB H . . . . . . . 4.1 . . . . . A . 13 VAL HA . . A . 13 VAL HB . . . 13 VAL HA . . . . . 13 VAL HB . . rr_1kwj 1 293 1 . . 1 1 13 13 VAL HA H . . . 1 1 13 13 VAL MG1 H . . . . . . . 5.6 . . . . . A . 13 VAL HA . . A . 13 VAL MG1 . . . 13 VAL HA . . . . . 13 VAL QG1 . . rr_1kwj 1 294 1 . . 1 1 13 13 VAL HA H . . . 1 1 13 13 VAL MG2 H . . . . . . . 4.2 . . . . . A . 13 VAL HA . . A . 13 VAL MG2 . . . 13 VAL HA . . . . . 13 VAL QG2 . . rr_1kwj 1 295 1 . . 1 1 14 14 THR H H . . . 1 1 13 13 VAL HA H . . . . . . . 2.8 . . . . . A . 14 THR H . . A . 13 VAL HA . . . 14 THR HN . . . . . 13 VAL HA . . rr_1kwj 1 296 1 . . 1 1 14 14 THR HA H . . . 1 1 13 13 VAL HA H . . . . . . . 5.5 . . . . . A . 14 THR HA . . A . 13 VAL HA . . . 14 THR HA . . . . . 13 VAL HA . . rr_1kwj 1 297 1 . . 1 1 13 13 VAL HA H . . . 1 1 14 14 THR HB H . . . . . . . 4.7 . . . . . A . 13 VAL HA . . A . 14 THR HB . . . 13 VAL HA . . . . . 14 THR HB . . rr_1kwj 1 298 1 . . 1 1 13 13 VAL HA H . . . 1 1 67 67 ILE H H . . . . . . . 4.3 . . . . . A . 13 VAL HA . . A . 67 ILE H . . . 13 VAL HA . . . . . 67 ILE HN . . rr_1kwj 1 299 1 . . 1 1 13 13 VAL MG1 H . . . 1 1 13 13 VAL HB H . . . . . . . 5.7 . . . . . A . 13 VAL MG1 . . A . 13 VAL HB . . . 13 VAL QG1 . . . . . 13 VAL HB . . rr_1kwj 1 300 1 . . 1 1 13 13 VAL MG2 H . . . 1 1 13 13 VAL HB H . . . . . . . 5.0 . . . . . A . 13 VAL MG2 . . A . 13 VAL HB . . . 13 VAL QG2 . . . . . 13 VAL HB . . rr_1kwj 1 301 1 . . 1 1 13 13 VAL HB H . . . 1 1 67 67 ILE H H . . . . . . . 5.4 . . . . . A . 13 VAL HB . . A . 67 ILE H . . . 13 VAL HB . . . . . 67 ILE HN . . rr_1kwj 1 302 1 . . 1 1 14 14 THR H H . . . 1 1 13 13 VAL MG1 H . . . . . . . 6.5 . . . . . A . 14 THR H . . A . 13 VAL MG1 . . . 14 THR HN . . . . . 13 VAL QG1 . . rr_1kwj 1 303 1 . . 1 1 15 15 PHE CZ C . . . 1 1 13 13 VAL MG1 H . . . . . . . 8.5 . . . . . A . 15 PHE CZ . . A . 13 VAL MG1 . . . 15 PHE CZ . . . . . 13 VAL QG1 . . rr_1kwj 1 304 1 . . 1 1 14 14 THR H H . . . 1 1 13 13 VAL MG2 H . . . . . . . 5.2 . . . . . A . 14 THR H . . A . 13 VAL MG2 . . . 14 THR HN . . . . . 13 VAL QG2 . . rr_1kwj 1 305 1 . . 1 1 15 15 PHE H H . . . 1 1 13 13 VAL MG2 H . . . . . . . 6.5 . . . . . A . 15 PHE H . . A . 13 VAL MG2 . . . 15 PHE HN . . . . . 13 VAL QG2 . . rr_1kwj 1 306 1 . . 1 1 15 15 PHE CG C . . . 1 1 13 13 VAL MG2 H . . . . . . . 8.5 . . . . . A . 15 PHE CG . . A . 13 VAL MG2 . . . 15 PHE CG . . . . . 13 VAL QG2 . . rr_1kwj 1 307 1 . . 1 1 15 15 PHE CZ C . . . 1 1 13 13 VAL MG2 H . . . . . . . 8.5 . . . . . A . 15 PHE CZ . . A . 13 VAL MG2 . . . 15 PHE CZ . . . . . 13 VAL QG2 . . rr_1kwj 1 308 1 . . 1 1 13 13 VAL MG2 H . . . 1 1 65 65 CYS HA H . . . . . . . 6.5 . . . . . A . 13 VAL MG2 . . A . 65 CYS HA . . . 13 VAL QG2 . . . . . 65 CYSS HA . . rr_1kwj 1 309 1 . . 1 1 13 13 VAL MG2 H . . . 1 1 65 65 CYS HB2 H . . . . . . . 6.5 . . . . . A . 13 VAL MG2 . . A . 65 CYS HB2 . . . 13 VAL QG2 . . . . . 65 CYSS HB2 . . rr_1kwj 1 310 1 . . 1 1 13 13 VAL MG2 H . . . 1 1 65 65 CYS HB3 H . . . . . . . 6.5 . . . . . A . 13 VAL MG2 . . A . 65 CYS HB3 . . . 13 VAL QG2 . . . . . 65 CYSS HB3 . . rr_1kwj 1 311 1 . . 1 1 14 14 THR H H . . . 1 1 14 14 THR HA H . . . . . . . 4.0 . . . . . A . 14 THR H . . A . 14 THR HA . . . 14 THR HN . . . . . 14 THR HA . . rr_1kwj 1 312 1 . . 1 1 14 14 THR H H . . . 1 1 14 14 THR HB H . . . . . . . 3.4 . . . . . A . 14 THR H . . A . 14 THR HB . . . 14 THR HN . . . . . 14 THR HB . . rr_1kwj 1 313 1 . . 1 1 14 14 THR MG H . . . 1 1 14 14 THR H H . . . . . . . 5.1 . . . . . A . 14 THR MG . . A . 14 THR H . . . 14 THR QG2 . . . . . 14 THR HN . . rr_1kwj 1 314 1 . . 1 1 15 15 PHE H H . . . 1 1 14 14 THR H H . . . . . . . 3.4 . . . . . A . 15 PHE H . . A . 14 THR H . . . 15 PHE HN . . . . . 14 THR HN . . rr_1kwj 1 315 1 . . 1 1 14 14 THR HA H . . . 1 1 14 14 THR HB H . . . . . . . 3.9 . . . . . A . 14 THR HA . . A . 14 THR HB . . . 14 THR HA . . . . . 14 THR HB . . rr_1kwj 1 316 1 . . 1 1 14 14 THR MG H . . . 1 1 14 14 THR HA H . . . . . . . 4.5 . . . . . A . 14 THR MG . . A . 14 THR HA . . . 14 THR QG2 . . . . . 14 THR HA . . rr_1kwj 1 317 1 . . 1 1 15 15 PHE H H . . . 1 1 14 14 THR HA H . . . . . . . 2.9 . . . . . A . 15 PHE H . . A . 14 THR HA . . . 15 PHE HN . . . . . 14 THR HA . . rr_1kwj 1 318 1 . . 1 1 15 15 PHE HB2 H . . . 1 1 14 14 THR HA H . . . . . . . 4.4 . . . . . A . 15 PHE HB2 . . A . 14 THR HA . . . 15 PHE HB2 . . . . . 14 THR HA . . rr_1kwj 1 319 1 . . 1 1 14 14 THR MG H . . . 1 1 14 14 THR HB H . . . . . . . 3.6 . . . . . A . 14 THR MG . . A . 14 THR HB . . . 14 THR QG2 . . . . . 14 THR HB . . rr_1kwj 1 320 1 . . 1 1 15 15 PHE H H . . . 1 1 14 14 THR HB H . . . . . . . 4.8 . . . . . A . 15 PHE H . . A . 14 THR HB . . . 15 PHE HN . . . . . 14 THR HB . . rr_1kwj 1 321 1 . . 1 1 14 14 THR MG H . . . 1 1 15 15 PHE H H . . . . . . . 5.4 . . . . . A . 14 THR MG . . A . 15 PHE H . . . 14 THR QG2 . . . . . 15 PHE HN . . rr_1kwj 1 322 1 . . 1 1 16 16 ASP HA H . . . 1 1 14 14 THR MG H . . . . . . . 6.5 . . . . . A . 16 ASP HA . . A . 14 THR MG . . . 16 ASP- HA . . . . . 14 THR QG2 . . rr_1kwj 1 323 1 . . 1 1 16 16 ASP HB3 H . . . 1 1 14 14 THR MG H . . . . . . . 6.5 . . . . . A . 16 ASP HB3 . . A . 14 THR MG . . . 16 ASP- HB3 . . . . . 14 THR QG2 . . rr_1kwj 1 324 1 . . 1 1 15 15 PHE H H . . . 1 1 15 15 PHE HA H . . . . . . . 4.2 . . . . . A . 15 PHE H . . A . 15 PHE HA . . . 15 PHE HN . . . . . 15 PHE HA . . rr_1kwj 1 325 1 . . 1 1 15 15 PHE H H . . . 1 1 15 15 PHE HB2 H . . . . . . . 3.5 . . . . . A . 15 PHE H . . A . 15 PHE HB2 . . . 15 PHE HN . . . . . 15 PHE HB2 . . rr_1kwj 1 326 1 . . 1 1 15 15 PHE H H . . . 1 1 15 15 PHE HB3 H . . . . . . . 3.8 . . . . . A . 15 PHE H . . A . 15 PHE HB3 . . . 15 PHE HN . . . . . 15 PHE HB3 . . rr_1kwj 1 327 1 . . 1 1 15 15 PHE H H . . . 1 1 15 15 PHE CG C . . . . . . . 7.5 . . . . . A . 15 PHE H . . A . 15 PHE CG . . . 15 PHE HN . . . . . 15 PHE CG . . rr_1kwj 1 328 1 . . 1 1 15 15 PHE H H . . . 1 1 16 16 ASP H H . . . . . . . 5.5 . . . . . A . 15 PHE H . . A . 16 ASP H . . . 15 PHE HN . . . . . 16 ASP- HN . . rr_1kwj 1 329 1 . . 1 1 15 15 PHE HB2 H . . . 1 1 15 15 PHE HA H . . . . . . . 4.9 . . . . . A . 15 PHE HB2 . . A . 15 PHE HA . . . 15 PHE HB2 . . . . . 15 PHE HA . . rr_1kwj 1 330 1 . . 1 1 15 15 PHE HB3 H . . . 1 1 15 15 PHE HA H . . . . . . . 4.7 . . . . . A . 15 PHE HB3 . . A . 15 PHE HA . . . 15 PHE HB3 . . . . . 15 PHE HA . . rr_1kwj 1 331 1 . . 1 1 15 15 PHE HA H . . . 1 1 16 16 ASP H H . . . . . . . 3.9 . . . . . A . 15 PHE HA . . A . 16 ASP H . . . 15 PHE HA . . . . . 16 ASP- HN . . rr_1kwj 1 332 1 . . 1 1 16 16 ASP HB3 H . . . 1 1 15 15 PHE HA H . . . . . . . 5.5 . . . . . A . 16 ASP HB3 . . A . 15 PHE HA . . . 16 ASP- HB3 . . . . . 15 PHE HA . . rr_1kwj 1 333 1 . . 1 1 15 15 PHE HB2 H . . . 1 1 15 15 PHE CG C . . . . . . . 7.1 . . . . . A . 15 PHE HB2 . . A . 15 PHE CG . . . 15 PHE HB2 . . . . . 15 PHE CG . . rr_1kwj 1 334 1 . . 1 1 15 15 PHE HB2 H . . . 1 1 15 15 PHE CZ C . . . . . . . 7.5 . . . . . A . 15 PHE HB2 . . A . 15 PHE CZ . . . 15 PHE HB2 . . . . . 15 PHE CZ . . rr_1kwj 1 335 1 . . 1 1 15 15 PHE HB3 H . . . 1 1 15 15 PHE CG C . . . . . . . 6.7 . . . . . A . 15 PHE HB3 . . A . 15 PHE CG . . . 15 PHE HB3 . . . . . 15 PHE CG . . rr_1kwj 1 336 1 . . 1 1 15 15 PHE HB3 H . . . 1 1 15 15 PHE CZ C . . . . . . . 7.5 . . . . . A . 15 PHE HB3 . . A . 15 PHE CZ . . . 15 PHE HB3 . . . . . 15 PHE CZ . . rr_1kwj 1 337 1 . . 1 1 15 15 PHE CG C . . . 1 1 15 15 PHE CZ C . . . . . . . 9.1 . . . . . A . 15 PHE CG . . A . 15 PHE CZ . . . 15 PHE CG . . . . . 15 PHE CZ . . rr_1kwj 1 338 1 . . 1 1 15 15 PHE CG C . . . 1 1 15 15 PHE HZ H . . . . . . . 7.5 . . . . . A . 15 PHE CG . . A . 15 PHE HZ . . . 15 PHE CG . . . . . 15 PHE HZ . . rr_1kwj 1 339 1 . . 1 1 15 15 PHE CG C . . . 1 1 39 39 ILE HB H . . . . . . . 7.0 . . . . . A . 15 PHE CG . . A . 39 ILE HB . . . 15 PHE CG . . . . . 39 ILE HB . . rr_1kwj 1 340 1 . . 1 1 15 15 PHE CG C . . . 1 1 39 39 ILE MG H . . . . . . . 8.5 . . . . . A . 15 PHE CG . . A . 39 ILE MG . . . 15 PHE CG . . . . . 39 ILE QG2 . . rr_1kwj 1 341 1 . . 1 1 15 15 PHE CG C . . . 1 1 39 39 ILE HG12 H . . . . . . . 7.5 . . . . . A . 15 PHE CG . . A . 39 ILE HG12 . . . 15 PHE CG . . . . . 39 ILE HG12 . . rr_1kwj 1 342 1 . . 1 1 15 15 PHE CG C . . . 1 1 39 39 ILE HG13 H . . . . . . . 7.5 . . . . . A . 15 PHE CG . . A . 39 ILE HG13 . . . 15 PHE CG . . . . . 39 ILE HG13 . . rr_1kwj 1 343 1 . . 1 1 15 15 PHE CG C . . . 1 1 39 39 ILE MD H . . . . . . . 8.5 . . . . . A . 15 PHE CG . . A . 39 ILE MD . . . 15 PHE CG . . . . . 39 ILE QD1 . . rr_1kwj 1 344 1 . . 1 1 15 15 PHE CZ C . . . 1 1 39 39 ILE MG H . . . . . . . 8.5 . . . . . A . 15 PHE CZ . . A . 39 ILE MG . . . 15 PHE CZ . . . . . 39 ILE QG2 . . rr_1kwj 1 345 1 . . 1 1 39 39 ILE MG H . . . 1 1 15 15 PHE HZ H . . . . . . . 6.5 . . . . . A . 39 ILE MG . . A . 15 PHE HZ . . . 39 ILE QG2 . . . . . 15 PHE HZ . . rr_1kwj 1 346 1 . . 1 1 16 16 ASP HA H . . . 1 1 16 16 ASP H H . . . . . . . 4.1 . . . . . A . 16 ASP HA . . A . 16 ASP H . . . 16 ASP- HA . . . . . 16 ASP- HN . . rr_1kwj 1 347 1 . . 1 1 16 16 ASP H H . . . 1 1 16 16 ASP HB2 H . . . . . . . 4.6 . . . . . A . 16 ASP H . . A . 16 ASP HB2 . . . 16 ASP- HN . . . . . 16 ASP- HB2 . . rr_1kwj 1 348 1 . . 1 1 16 16 ASP HB3 H . . . 1 1 16 16 ASP H H . . . . . . . 3.9 . . . . . A . 16 ASP HB3 . . A . 16 ASP H . . . 16 ASP- HB3 . . . . . 16 ASP- HN . . rr_1kwj 1 349 1 . . 1 1 17 17 HIS H H . . . 1 1 16 16 ASP H H . . . . . . . 4.8 . . . . . A . 17 HIS H . . A . 16 ASP H . . . 17 HIS HN . . . . . 16 ASP- HN . . rr_1kwj 1 350 1 . . 1 1 16 16 ASP HA H . . . 1 1 16 16 ASP HB2 H . . . . . . . 4.6 . . . . . A . 16 ASP HA . . A . 16 ASP HB2 . . . 16 ASP- HA . . . . . 16 ASP- HB2 . . rr_1kwj 1 351 1 . . 1 1 16 16 ASP HA H . . . 1 1 16 16 ASP HB3 H . . . . . . . 3.6 . . . . . A . 16 ASP HA . . A . 16 ASP HB3 . . . 16 ASP- HA . . . . . 16 ASP- HB3 . . rr_1kwj 1 352 1 . . 1 1 17 17 HIS H H . . . 1 1 16 16 ASP HA H . . . . . . . 2.9 . . . . . A . 17 HIS H . . A . 16 ASP HA . . . 17 HIS HN . . . . . 16 ASP- HA . . rr_1kwj 1 353 1 . . 1 1 16 16 ASP HA H . . . 1 1 17 17 HIS HA H . . . . . . . 5.5 . . . . . A . 16 ASP HA . . A . 17 HIS HA . . . 16 ASP- HA . . . . . 17 HIS HA . . rr_1kwj 1 354 1 . . 1 1 17 17 HIS HB2 H . . . 1 1 16 16 ASP HA H . . . . . . . 4.7 . . . . . A . 17 HIS HB2 . . A . 16 ASP HA . . . 17 HIS HB2 . . . . . 16 ASP- HA . . rr_1kwj 1 355 1 . . 1 1 18 18 LYS H H . . . 1 1 16 16 ASP HA H . . . . . . . 3.8 . . . . . A . 18 LYS H . . A . 16 ASP HA . . . 18 LYS+ HN . . . . . 16 ASP- HA . . rr_1kwj 1 356 1 . . 1 1 19 19 ALA H H . . . 1 1 16 16 ASP HA H . . . . . . . 5.5 . . . . . A . 19 ALA H . . A . 16 ASP HA . . . 19 ALA HN . . . . . 16 ASP- HA . . rr_1kwj 1 357 1 . . 1 1 17 17 HIS H H . . . 1 1 16 16 ASP HB2 H . . . . . . . 5.5 . . . . . A . 17 HIS H . . A . 16 ASP HB2 . . . 17 HIS HN . . . . . 16 ASP- HB2 . . rr_1kwj 1 358 1 . . 1 1 19 19 ALA H H . . . 1 1 16 16 ASP HB2 H . . . . . . . 5.5 . . . . . A . 19 ALA H . . A . 16 ASP HB2 . . . 19 ALA HN . . . . . 16 ASP- HB2 . . rr_1kwj 1 359 1 . . 1 1 16 16 ASP HB2 H . . . 1 1 19 19 ALA MB H . . . . . . . 5.5 . . . . . A . 16 ASP HB2 . . A . 19 ALA MB . . . 16 ASP- HB2 . . . . . 19 ALA QB . . rr_1kwj 1 360 1 . . 1 1 17 17 HIS H H . . . 1 1 16 16 ASP HB3 H . . . . . . . 4.8 . . . . . A . 17 HIS H . . A . 16 ASP HB3 . . . 17 HIS HN . . . . . 16 ASP- HB3 . . rr_1kwj 1 361 1 . . 1 1 19 19 ALA H H . . . 1 1 16 16 ASP HB3 H . . . . . . . 5.5 . . . . . A . 19 ALA H . . A . 16 ASP HB3 . . . 19 ALA HN . . . . . 16 ASP- HB3 . . rr_1kwj 1 362 1 . . 1 1 16 16 ASP HB3 H . . . 1 1 19 19 ALA MB H . . . . . . . 6.1 . . . . . A . 16 ASP HB3 . . A . 19 ALA MB . . . 16 ASP- HB3 . . . . . 19 ALA QB . . rr_1kwj 1 363 1 . . 1 1 17 17 HIS H H . . . 1 1 17 17 HIS HA H . . . . . . . 4.1 . . . . . A . 17 HIS H . . A . 17 HIS HA . . . 17 HIS HN . . . . . 17 HIS HA . . rr_1kwj 1 364 1 . . 1 1 17 17 HIS H H . . . 1 1 17 17 HIS HB2 H . . . . . . . 3.7 . . . . . A . 17 HIS H . . A . 17 HIS HB2 . . . 17 HIS HN . . . . . 17 HIS HB2 . . rr_1kwj 1 365 1 . . 1 1 17 17 HIS H H . . . 1 1 17 17 HIS HB3 H . . . . . . . 3.5 . . . . . A . 17 HIS H . . A . 17 HIS HB3 . . . 17 HIS HN . . . . . 17 HIS HB3 . . rr_1kwj 1 366 1 . . 1 1 17 17 HIS H H . . . 1 1 18 18 LYS H H . . . . . . . 3.3 . . . . . A . 17 HIS H . . A . 18 LYS H . . . 17 HIS HN . . . . . 18 LYS+ HN . . rr_1kwj 1 367 1 . . 1 1 17 17 HIS H H . . . 1 1 18 18 LYS HB2 H . . . . . . . 5.1 . . . . . A . 17 HIS H . . A . 18 LYS HB2 . . . 17 HIS HN . . . . . 18 LYS+ HB2 . . rr_1kwj 1 368 1 . . 1 1 17 17 HIS H H . . . 1 1 19 19 ALA H H . . . . . . . 5.5 . . . . . A . 17 HIS H . . A . 19 ALA H . . . 17 HIS HN . . . . . 19 ALA HN . . rr_1kwj 1 369 1 . . 1 1 17 17 HIS HB2 H . . . 1 1 17 17 HIS HA H . . . . . . . 4.1 . . . . . A . 17 HIS HB2 . . A . 17 HIS HA . . . 17 HIS HB2 . . . . . 17 HIS HA . . rr_1kwj 1 370 1 . . 1 1 17 17 HIS HB3 H . . . 1 1 17 17 HIS HA H . . . . . . . 4.5 . . . . . A . 17 HIS HB3 . . A . 17 HIS HA . . . 17 HIS HB3 . . . . . 17 HIS HA . . rr_1kwj 1 371 1 . . 1 1 18 18 LYS H H . . . 1 1 17 17 HIS HA H . . . . . . . 4.4 . . . . . A . 18 LYS H . . A . 17 HIS HA . . . 18 LYS+ HN . . . . . 17 HIS HA . . rr_1kwj 1 372 1 . . 1 1 19 19 ALA H H . . . 1 1 17 17 HIS HA H . . . . . . . 5.5 . . . . . A . 19 ALA H . . A . 17 HIS HA . . . 19 ALA HN . . . . . 17 HIS HA . . rr_1kwj 1 373 1 . . 1 1 17 17 HIS HA H . . . 1 1 20 20 HIS H H . . . . . . . 5.5 . . . . . A . 17 HIS HA . . A . 20 HIS H . . . 17 HIS HA . . . . . 20 HIS HN . . rr_1kwj 1 374 1 . . 1 1 17 17 HIS HA H . . . 1 1 20 20 HIS HB2 H . . . . . . . 5.5 . . . . . A . 17 HIS HA . . A . 20 HIS HB2 . . . 17 HIS HA . . . . . 20 HIS HB2 . . rr_1kwj 1 375 1 . . 1 1 17 17 HIS HA H . . . 1 1 21 21 ALA H H . . . . . . . 5.5 . . . . . A . 17 HIS HA . . A . 21 ALA H . . . 17 HIS HA . . . . . 21 ALA HN . . rr_1kwj 1 376 1 . . 1 1 17 17 HIS HB2 H . . . 1 1 18 18 LYS H H . . . . . . . 3.3 . . . . . A . 17 HIS HB2 . . A . 18 LYS H . . . 17 HIS HB2 . . . . . 18 LYS+ HN . . rr_1kwj 1 377 1 . . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HA H . . . . . . . 3.3 . . . . . A . 18 LYS H . . A . 18 LYS HA . . . 18 LYS+ HN . . . . . 18 LYS+ HA . . rr_1kwj 1 378 1 . . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HB2 H . . . . . . . 3.2 . . . . . A . 18 LYS H . . A . 18 LYS HB2 . . . 18 LYS+ HN . . . . . 18 LYS+ HB2 . . rr_1kwj 1 379 1 . . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HB3 H . . . . . . . 3.2 . . . . . A . 18 LYS H . . A . 18 LYS HB3 . . . 18 LYS+ HN . . . . . 18 LYS+ HB3 . . rr_1kwj 1 380 1 . . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HG2 H . . . . . . . 5.5 . . . . . A . 18 LYS H . . A . 18 LYS HG2 . . . 18 LYS+ HN . . . . . 18 LYS+ HG2 . . rr_1kwj 1 381 1 . . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HG3 H . . . . . . . 5.5 . . . . . A . 18 LYS H . . A . 18 LYS HG3 . . . 18 LYS+ HN . . . . . 18 LYS+ HG3 . . rr_1kwj 1 382 1 OR . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HD2 H . . . . . . . 6.5 . . . . . A . 18 LYS H . . A . 18 LYS HD2 . . . 18 LYS+ HN . . . . . 18 LYS+ QD . . rr_1kwj 1 382 2 OR . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HD3 H . . . . . . . 6.5 . . . . . A . 18 LYS H . . A . 18 LYS HD3 . . . 18 LYS+ HN . . . . . 18 LYS+ QD . . rr_1kwj 1 383 1 . . 1 1 18 18 LYS H H . . . 1 1 19 19 ALA H H . . . . . . . 3.5 . . . . . A . 18 LYS H . . A . 19 ALA H . . . 18 LYS+ HN . . . . . 19 ALA HN . . rr_1kwj 1 384 1 . . 1 1 18 18 LYS H H . . . 1 1 19 19 ALA HA H . . . . . . . 5.5 . . . . . A . 18 LYS H . . A . 19 ALA HA . . . 18 LYS+ HN . . . . . 19 ALA HA . . rr_1kwj 1 385 1 . . 1 1 18 18 LYS H H . . . 1 1 19 19 ALA MB H . . . . . . . 6.0 . . . . . A . 18 LYS H . . A . 19 ALA MB . . . 18 LYS+ HN . . . . . 19 ALA QB . . rr_1kwj 1 386 1 . . 1 1 18 18 LYS H H . . . 1 1 20 20 HIS H H . . . . . . . 5.0 . . . . . A . 18 LYS H . . A . 20 HIS H . . . 18 LYS+ HN . . . . . 20 HIS HN . . rr_1kwj 1 387 1 . . 1 1 18 18 LYS H H . . . 1 1 21 21 ALA H H . . . . . . . 5.5 . . . . . A . 18 LYS H . . A . 21 ALA H . . . 18 LYS+ HN . . . . . 21 ALA HN . . rr_1kwj 1 388 1 . . 1 1 18 18 LYS H H . . . 1 1 21 21 ALA MB H . . . . . . . 6.0 . . . . . A . 18 LYS H . . A . 21 ALA MB . . . 18 LYS+ HN . . . . . 21 ALA QB . . rr_1kwj 1 389 1 . . 1 1 18 18 LYS H H . . . 1 1 22 22 GLU HG3 H . . . . . . . 5.5 . . . . . A . 18 LYS H . . A . 22 GLU HG3 . . . 18 LYS+ HN . . . . . 22 GLU- HG3 . . rr_1kwj 1 390 1 . . 1 1 18 18 LYS HA H . . . 1 1 18 18 LYS HB2 H . . . . . . . 3.2 . . . . . A . 18 LYS HA . . A . 18 LYS HB2 . . . 18 LYS+ HA . . . . . 18 LYS+ HB2 . . rr_1kwj 1 391 1 . . 1 1 18 18 LYS HA H . . . 1 1 18 18 LYS HB3 H . . . . . . . 3.6 . . . . . A . 18 LYS HA . . A . 18 LYS HB3 . . . 18 LYS+ HA . . . . . 18 LYS+ HB3 . . rr_1kwj 1 392 1 . . 1 1 18 18 LYS HA H . . . 1 1 18 18 LYS HG2 H . . . . . . . 4.1 . . . . . A . 18 LYS HA . . A . 18 LYS HG2 . . . 18 LYS+ HA . . . . . 18 LYS+ HG2 . . rr_1kwj 1 393 1 . . 1 1 18 18 LYS HA H . . . 1 1 18 18 LYS HG3 H . . . . . . . 3.3 . . . . . A . 18 LYS HA . . A . 18 LYS HG3 . . . 18 LYS+ HA . . . . . 18 LYS+ HG3 . . rr_1kwj 1 394 1 OR . 1 1 18 18 LYS HA H . . . 1 1 18 18 LYS HD2 H . . . . . . . 6.4 . . . . . A . 18 LYS HA . . A . 18 LYS HD2 . . . 18 LYS+ HA . . . . . 18 LYS+ QD . . rr_1kwj 1 394 2 OR . 1 1 18 18 LYS HA H . . . 1 1 18 18 LYS HD3 H . . . . . . . 6.4 . . . . . A . 18 LYS HA . . A . 18 LYS HD3 . . . 18 LYS+ HA . . . . . 18 LYS+ QD . . rr_1kwj 1 395 1 . . 1 1 18 18 LYS HA H . . . 1 1 19 19 ALA H H . . . . . . . 4.4 . . . . . A . 18 LYS HA . . A . 19 ALA H . . . 18 LYS+ HA . . . . . 19 ALA HN . . rr_1kwj 1 396 1 . . 1 1 18 18 LYS HA H . . . 1 1 20 20 HIS H H . . . . . . . 5.5 . . . . . A . 18 LYS HA . . A . 20 HIS H . . . 18 LYS+ HA . . . . . 20 HIS HN . . rr_1kwj 1 397 1 . . 1 1 18 18 LYS HA H . . . 1 1 21 21 ALA H H . . . . . . . 5.2 . . . . . A . 18 LYS HA . . A . 21 ALA H . . . 18 LYS+ HA . . . . . 21 ALA HN . . rr_1kwj 1 398 1 . . 1 1 18 18 LYS HA H . . . 1 1 21 21 ALA MB H . . . . . . . 3.8 . . . . . A . 18 LYS HA . . A . 21 ALA MB . . . 18 LYS+ HA . . . . . 21 ALA QB . . rr_1kwj 1 399 1 . . 1 1 18 18 LYS HA H . . . 1 1 22 22 GLU H H . . . . . . . 5.5 . . . . . A . 18 LYS HA . . A . 22 GLU H . . . 18 LYS+ HA . . . . . 22 GLU- HN . . rr_1kwj 1 400 1 . . 1 1 18 18 LYS HB2 H . . . 1 1 18 18 LYS HG2 H . . . . . . . 3.4 . . . . . A . 18 LYS HB2 . . A . 18 LYS HG2 . . . 18 LYS+ HB2 . . . . . 18 LYS+ HG2 . . rr_1kwj 1 401 1 . . 1 1 18 18 LYS HB2 H . . . 1 1 18 18 LYS HG3 H . . . . . . . 3.2 . . . . . A . 18 LYS HB2 . . A . 18 LYS HG3 . . . 18 LYS+ HB2 . . . . . 18 LYS+ HG3 . . rr_1kwj 1 402 1 OR . 1 1 18 18 LYS HB2 H . . . 1 1 18 18 LYS HD2 H . . . . . . . 4.5 . . . . . A . 18 LYS HB2 . . A . 18 LYS HD2 . . . 18 LYS+ HB2 . . . . . 18 LYS+ QD . . rr_1kwj 1 402 2 OR . 1 1 18 18 LYS HB2 H . . . 1 1 18 18 LYS HD3 H . . . . . . . 4.5 . . . . . A . 18 LYS HB2 . . A . 18 LYS HD3 . . . 18 LYS+ HB2 . . . . . 18 LYS+ QD . . rr_1kwj 1 403 1 OR . 1 1 18 18 LYS HB2 H . . . 1 1 18 18 LYS HE2 H . . . . . . . 6.5 . . . . . A . 18 LYS HB2 . . A . 18 LYS HE2 . . . 18 LYS+ HB2 . . . . . 18 LYS+ QE . . rr_1kwj 1 403 2 OR . 1 1 18 18 LYS HB2 H . . . 1 1 18 18 LYS HE3 H . . . . . . . 6.5 . . . . . A . 18 LYS HB2 . . A . 18 LYS HE3 . . . 18 LYS+ HB2 . . . . . 18 LYS+ QE . . rr_1kwj 1 404 1 . . 1 1 18 18 LYS HB2 H . . . 1 1 19 19 ALA H H . . . . . . . 3.9 . . . . . A . 18 LYS HB2 . . A . 19 ALA H . . . 18 LYS+ HB2 . . . . . 19 ALA HN . . rr_1kwj 1 405 1 . . 1 1 18 18 LYS HB3 H . . . 1 1 18 18 LYS HG2 H . . . . . . . 2.8 . . . . . A . 18 LYS HB3 . . A . 18 LYS HG2 . . . 18 LYS+ HB3 . . . . . 18 LYS+ HG2 . . rr_1kwj 1 406 1 . . 1 1 18 18 LYS HB3 H . . . 1 1 18 18 LYS HG3 H . . . . . . . 3.2 . . . . . A . 18 LYS HB3 . . A . 18 LYS HG3 . . . 18 LYS+ HB3 . . . . . 18 LYS+ HG3 . . rr_1kwj 1 407 1 OR . 1 1 18 18 LYS HB3 H . . . 1 1 18 18 LYS HD2 H . . . . . . . 4.9 . . . . . A . 18 LYS HB3 . . A . 18 LYS HD2 . . . 18 LYS+ HB3 . . . . . 18 LYS+ QD . . rr_1kwj 1 407 2 OR . 1 1 18 18 LYS HB3 H . . . 1 1 18 18 LYS HD3 H . . . . . . . 4.9 . . . . . A . 18 LYS HB3 . . A . 18 LYS HD3 . . . 18 LYS+ HB3 . . . . . 18 LYS+ QD . . rr_1kwj 1 408 1 . . 1 1 18 18 LYS HB3 H . . . 1 1 19 19 ALA H H . . . . . . . 3.4 . . . . . A . 18 LYS HB3 . . A . 19 ALA H . . . 18 LYS+ HB3 . . . . . 19 ALA HN . . rr_1kwj 1 409 1 . . 1 1 18 18 LYS HB3 H . . . 1 1 19 19 ALA MB H . . . . . . . 6.5 . . . . . A . 18 LYS HB3 . . A . 19 ALA MB . . . 18 LYS+ HB3 . . . . . 19 ALA QB . . rr_1kwj 1 410 1 OR . 1 1 18 18 LYS HG2 H . . . 1 1 18 18 LYS HD2 H . . . . . . . 4.4 . . . . . A . 18 LYS HG2 . . A . 18 LYS HD2 . . . 18 LYS+ HG2 . . . . . 18 LYS+ QD . . rr_1kwj 1 410 2 OR . 1 1 18 18 LYS HD3 H . . . 1 1 18 18 LYS HG2 H . . . . . . . 4.4 . . . . . A . 18 LYS HD3 . . A . 18 LYS HG2 . . . 18 LYS+ QD . . . . . 18 LYS+ HG2 . . rr_1kwj 1 411 1 OR . 1 1 18 18 LYS HG2 H . . . 1 1 18 18 LYS HE2 H . . . . . . . 6.5 . . . . . A . 18 LYS HG2 . . A . 18 LYS HE2 . . . 18 LYS+ HG2 . . . . . 18 LYS+ QE . . rr_1kwj 1 411 2 OR . 1 1 18 18 LYS HG2 H . . . 1 1 18 18 LYS HE3 H . . . . . . . 6.5 . . . . . A . 18 LYS HG2 . . A . 18 LYS HE3 . . . 18 LYS+ HG2 . . . . . 18 LYS+ QE . . rr_1kwj 1 412 1 . . 1 1 19 19 ALA H H . . . 1 1 18 18 LYS HG2 H . . . . . . . 4.9 . . . . . A . 19 ALA H . . A . 18 LYS HG2 . . . 19 ALA HN . . . . . 18 LYS+ HG2 . . rr_1kwj 1 413 1 OR . 1 1 18 18 LYS HG3 H . . . 1 1 18 18 LYS HD2 H . . . . . . . 4.4 . . . . . A . 18 LYS HG3 . . A . 18 LYS HD2 . . . 18 LYS+ HG3 . . . . . 18 LYS+ QD . . rr_1kwj 1 413 2 OR . 1 1 18 18 LYS HG3 H . . . 1 1 18 18 LYS HD3 H . . . . . . . 4.4 . . . . . A . 18 LYS HG3 . . A . 18 LYS HD3 . . . 18 LYS+ HG3 . . . . . 18 LYS+ QD . . rr_1kwj 1 414 1 OR . 1 1 18 18 LYS HG3 H . . . 1 1 18 18 LYS HE2 H . . . . . . . 6.5 . . . . . A . 18 LYS HG3 . . A . 18 LYS HE2 . . . 18 LYS+ HG3 . . . . . 18 LYS+ QE . . rr_1kwj 1 414 2 OR . 1 1 18 18 LYS HG3 H . . . 1 1 18 18 LYS HE3 H . . . . . . . 6.5 . . . . . A . 18 LYS HG3 . . A . 18 LYS HE3 . . . 18 LYS+ HG3 . . . . . 18 LYS+ QE . . rr_1kwj 1 415 1 . . 1 1 18 18 LYS HG3 H . . . 1 1 19 19 ALA H H . . . . . . . 5.5 . . . . . A . 18 LYS HG3 . . A . 19 ALA H . . . 18 LYS+ HG3 . . . . . 19 ALA HN . . rr_1kwj 1 416 1 OR . 1 1 18 18 LYS HD2 H . . . 1 1 18 18 LYS HE2 H . . . . . . . 6.3 . . . . . A . 18 LYS HD2 . . A . 18 LYS HE2 . . . 18 LYS+ QD . . . . . 18 LYS+ QE . . rr_1kwj 1 416 2 OR . 1 1 18 18 LYS HE3 H . . . 1 1 18 18 LYS HD2 H . . . . . . . 6.3 . . . . . A . 18 LYS HE3 . . A . 18 LYS HD2 . . . 18 LYS+ QE . . . . . 18 LYS+ QD . . rr_1kwj 1 416 3 OR . 1 1 18 18 LYS HD3 H . . . 1 1 18 18 LYS HE3 H . . . . . . . 6.3 . . . . . A . 18 LYS HD3 . . A . 18 LYS HE3 . . . 18 LYS+ QD . . . . . 18 LYS+ QE . . rr_1kwj 1 416 4 OR . 1 1 18 18 LYS HD3 H . . . 1 1 18 18 LYS HE2 H . . . . . . . 6.3 . . . . . A . 18 LYS HD3 . . A . 18 LYS HE2 . . . 18 LYS+ QD . . . . . 18 LYS+ QE . . rr_1kwj 1 417 1 OR . 1 1 19 19 ALA H H . . . 1 1 18 18 LYS HD2 H . . . . . . . 6.5 . . . . . A . 19 ALA H . . A . 18 LYS HD2 . . . 19 ALA HN . . . . . 18 LYS+ QD . . rr_1kwj 1 417 2 OR . 1 1 18 18 LYS HD3 H . . . 1 1 19 19 ALA H H . . . . . . . 6.5 . . . . . A . 18 LYS HD3 . . A . 19 ALA H . . . 18 LYS+ QD . . . . . 19 ALA HN . . rr_1kwj 1 418 1 OR . 1 1 22 22 GLU HG3 H . . . 1 1 18 18 LYS HE2 H . . . . . . . 6.5 . . . . . A . 22 GLU HG3 . . A . 18 LYS HE2 . . . 22 GLU- HG3 . . . . . 18 LYS+ QE . . rr_1kwj 1 418 2 OR . 1 1 22 22 GLU HG3 H . . . 1 1 18 18 LYS HE3 H . . . . . . . 6.5 . . . . . A . 22 GLU HG3 . . A . 18 LYS HE3 . . . 22 GLU- HG3 . . . . . 18 LYS+ QE . . rr_1kwj 1 419 1 . . 1 1 19 19 ALA H H . . . 1 1 19 19 ALA HA H . . . . . . . 3.5 . . . . . A . 19 ALA H . . A . 19 ALA HA . . . 19 ALA HN . . . . . 19 ALA HA . . rr_1kwj 1 420 1 . . 1 1 19 19 ALA H H . . . 1 1 19 19 ALA MB H . . . . . . . 3.3 . . . . . A . 19 ALA H . . A . 19 ALA MB . . . 19 ALA HN . . . . . 19 ALA QB . . rr_1kwj 1 421 1 . . 1 1 19 19 ALA H H . . . 1 1 20 20 HIS H H . . . . . . . 3.5 . . . . . A . 19 ALA H . . A . 20 HIS H . . . 19 ALA HN . . . . . 20 HIS HN . . rr_1kwj 1 422 1 . . 1 1 19 19 ALA H H . . . 1 1 20 20 HIS HA H . . . . . . . 5.5 . . . . . A . 19 ALA H . . A . 20 HIS HA . . . 19 ALA HN . . . . . 20 HIS HA . . rr_1kwj 1 423 1 . . 1 1 19 19 ALA H H . . . 1 1 20 20 HIS HB2 H . . . . . . . 5.5 . . . . . A . 19 ALA H . . A . 20 HIS HB2 . . . 19 ALA HN . . . . . 20 HIS HB2 . . rr_1kwj 1 424 1 . . 1 1 19 19 ALA H H . . . 1 1 21 21 ALA H H . . . . . . . 4.9 . . . . . A . 19 ALA H . . A . 21 ALA H . . . 19 ALA HN . . . . . 21 ALA HN . . rr_1kwj 1 425 1 . . 1 1 19 19 ALA H H . . . 1 1 22 22 GLU H H . . . . . . . 5.5 . . . . . A . 19 ALA H . . A . 22 GLU H . . . 19 ALA HN . . . . . 22 GLU- HN . . rr_1kwj 1 426 1 . . 1 1 19 19 ALA MB H . . . 1 1 19 19 ALA HA H . . . . . . . 3.3 . . . . . A . 19 ALA MB . . A . 19 ALA HA . . . 19 ALA QB . . . . . 19 ALA HA . . rr_1kwj 1 427 1 . . 1 1 20 20 HIS H H . . . 1 1 19 19 ALA HA H . . . . . . . 4.5 . . . . . A . 20 HIS H . . A . 19 ALA HA . . . 20 HIS HN . . . . . 19 ALA HA . . rr_1kwj 1 428 1 . . 1 1 21 21 ALA H H . . . 1 1 19 19 ALA HA H . . . . . . . 5.5 . . . . . A . 21 ALA H . . A . 19 ALA HA . . . 21 ALA HN . . . . . 19 ALA HA . . rr_1kwj 1 429 1 . . 1 1 19 19 ALA HA H . . . 1 1 22 22 GLU H H . . . . . . . 4.6 . . . . . A . 19 ALA HA . . A . 22 GLU H . . . 19 ALA HA . . . . . 22 GLU- HN . . rr_1kwj 1 430 1 . . 1 1 19 19 ALA HA H . . . 1 1 22 22 GLU HB2 H . . . . . . . 3.2 . . . . . A . 19 ALA HA . . A . 22 GLU HB2 . . . 19 ALA HA . . . . . 22 GLU- HB2 . . rr_1kwj 1 431 1 . . 1 1 19 19 ALA HA H . . . 1 1 22 22 GLU HB3 H . . . . . . . 4.3 . . . . . A . 19 ALA HA . . A . 22 GLU HB3 . . . 19 ALA HA . . . . . 22 GLU- HB3 . . rr_1kwj 1 432 1 . . 1 1 19 19 ALA HA H . . . 1 1 22 22 GLU HG2 H . . . . . . . 5.5 . . . . . A . 19 ALA HA . . A . 22 GLU HG2 . . . 19 ALA HA . . . . . 22 GLU- HG2 . . rr_1kwj 1 433 1 . . 1 1 19 19 ALA HA H . . . 1 1 22 22 GLU HG3 H . . . . . . . 5.2 . . . . . A . 19 ALA HA . . A . 22 GLU HG3 . . . 19 ALA HA . . . . . 22 GLU- HG3 . . rr_1kwj 1 434 1 . . 1 1 19 19 ALA HA H . . . 1 1 23 23 LYS H H . . . . . . . 5.5 . . . . . A . 19 ALA HA . . A . 23 LYS H . . . 19 ALA HA . . . . . 23 LYS+ HN . . rr_1kwj 1 435 1 . . 1 1 19 19 ALA MB H . . . 1 1 20 20 HIS H H . . . . . . . 3.6 . . . . . A . 19 ALA MB . . A . 20 HIS H . . . 19 ALA QB . . . . . 20 HIS HN . . rr_1kwj 1 436 1 . . 1 1 19 19 ALA MB H . . . 1 1 20 20 HIS HB2 H . . . . . . . 6.5 . . . . . A . 19 ALA MB . . A . 20 HIS HB2 . . . 19 ALA QB . . . . . 20 HIS HB2 . . rr_1kwj 1 437 1 . . 1 1 19 19 ALA MB H . . . 1 1 20 20 HIS HB3 H . . . . . . . 6.4 . . . . . A . 19 ALA MB . . A . 20 HIS HB3 . . . 19 ALA QB . . . . . 20 HIS HB3 . . rr_1kwj 1 438 1 . . 1 1 20 20 HIS H H . . . 1 1 20 20 HIS HA H . . . . . . . 4.5 . . . . . A . 20 HIS H . . A . 20 HIS HA . . . 20 HIS HN . . . . . 20 HIS HA . . rr_1kwj 1 439 1 . . 1 1 20 20 HIS H H . . . 1 1 20 20 HIS HB2 H . . . . . . . 4.1 . . . . . A . 20 HIS H . . A . 20 HIS HB2 . . . 20 HIS HN . . . . . 20 HIS HB2 . . rr_1kwj 1 440 1 . . 1 1 20 20 HIS H H . . . 1 1 20 20 HIS HB3 H . . . . . . . 5.5 . . . . . A . 20 HIS H . . A . 20 HIS HB3 . . . 20 HIS HN . . . . . 20 HIS HB3 . . rr_1kwj 1 441 1 . . 1 1 20 20 HIS H H . . . 1 1 21 21 ALA H H . . . . . . . 3.4 . . . . . A . 20 HIS H . . A . 21 ALA H . . . 20 HIS HN . . . . . 21 ALA HN . . rr_1kwj 1 442 1 . . 1 1 20 20 HIS H H . . . 1 1 21 21 ALA MB H . . . . . . . 5.7 . . . . . A . 20 HIS H . . A . 21 ALA MB . . . 20 HIS HN . . . . . 21 ALA QB . . rr_1kwj 1 443 1 . . 1 1 20 20 HIS H H . . . 1 1 22 22 GLU H H . . . . . . . 5.5 . . . . . A . 20 HIS H . . A . 22 GLU H . . . 20 HIS HN . . . . . 22 GLU- HN . . rr_1kwj 1 444 1 . . 1 1 20 20 HIS H H . . . 1 1 22 22 GLU HB2 H . . . . . . . 5.5 . . . . . A . 20 HIS H . . A . 22 GLU HB2 . . . 20 HIS HN . . . . . 22 GLU- HB2 . . rr_1kwj 1 445 1 . . 1 1 20 20 HIS HB2 H . . . 1 1 20 20 HIS HA H . . . . . . . 5.5 . . . . . A . 20 HIS HB2 . . A . 20 HIS HA . . . 20 HIS HB2 . . . . . 20 HIS HA . . rr_1kwj 1 446 1 . . 1 1 21 21 ALA H H . . . 1 1 20 20 HIS HA H . . . . . . . 5.5 . . . . . A . 21 ALA H . . A . 20 HIS HA . . . 21 ALA HN . . . . . 20 HIS HA . . rr_1kwj 1 447 1 . . 1 1 22 22 GLU H H . . . 1 1 20 20 HIS HA H . . . . . . . 5.5 . . . . . A . 22 GLU H . . A . 20 HIS HA . . . 22 GLU- HN . . . . . 20 HIS HA . . rr_1kwj 1 448 1 . . 1 1 20 20 HIS HA H . . . 1 1 23 23 LYS H H . . . . . . . 5.2 . . . . . A . 20 HIS HA . . A . 23 LYS H . . . 20 HIS HA . . . . . 23 LYS+ HN . . rr_1kwj 1 449 1 . . 1 1 20 20 HIS HA H . . . 1 1 23 23 LYS HB2 H . . . . . . . 5.1 . . . . . A . 20 HIS HA . . A . 23 LYS HB2 . . . 20 HIS HA . . . . . 23 LYS+ HB2 . . rr_1kwj 1 450 1 . . 1 1 20 20 HIS HA H . . . 1 1 23 23 LYS HG3 H . . . . . . . 5.5 . . . . . A . 20 HIS HA . . A . 23 LYS HG3 . . . 20 HIS HA . . . . . 23 LYS+ HG3 . . rr_1kwj 1 451 1 . . 1 1 20 20 HIS HA H . . . 1 1 23 23 LYS HD3 H . . . . . . . 5.3 . . . . . A . 20 HIS HA . . A . 23 LYS HD3 . . . 20 HIS HA . . . . . 23 LYS+ HD3 . . rr_1kwj 1 452 1 . . 1 1 20 20 HIS HA H . . . 1 1 24 24 LEU H H . . . . . . . 5.5 . . . . . A . 20 HIS HA . . A . 24 LEU H . . . 20 HIS HA . . . . . 24 LEU HN . . rr_1kwj 1 453 1 . . 1 1 20 20 HIS HA H . . . 1 1 24 24 LEU MD2 H . . . . . . . 6.5 . . . . . A . 20 HIS HA . . A . 24 LEU MD2 . . . 20 HIS HA . . . . . 24 LEU QD2 . . rr_1kwj 1 454 1 . . 1 1 20 20 HIS HB2 H . . . 1 1 21 21 ALA H H . . . . . . . 4.3 . . . . . A . 20 HIS HB2 . . A . 21 ALA H . . . 20 HIS HB2 . . . . . 21 ALA HN . . rr_1kwj 1 455 1 . . 1 1 20 20 HIS HB2 H . . . 1 1 21 21 ALA MB H . . . . . . . 6.5 . . . . . A . 20 HIS HB2 . . A . 21 ALA MB . . . 20 HIS HB2 . . . . . 21 ALA QB . . rr_1kwj 1 456 1 . . 1 1 21 21 ALA H H . . . 1 1 20 20 HIS HB3 H . . . . . . . 5.5 . . . . . A . 21 ALA H . . A . 20 HIS HB3 . . . 21 ALA HN . . . . . 20 HIS HB3 . . rr_1kwj 1 457 1 . . 1 1 20 20 HIS HB3 H . . . 1 1 24 24 LEU MD2 H . . . . . . . 6.5 . . . . . A . 20 HIS HB3 . . A . 24 LEU MD2 . . . 20 HIS HB3 . . . . . 24 LEU QD2 . . rr_1kwj 1 458 1 . . 1 1 21 21 ALA H H . . . 1 1 21 21 ALA HA H . . . . . . . 3.6 . . . . . A . 21 ALA H . . A . 21 ALA HA . . . 21 ALA HN . . . . . 21 ALA HA . . rr_1kwj 1 459 1 . . 1 1 21 21 ALA H H . . . 1 1 21 21 ALA MB H . . . . . . . 3.3 . . . . . A . 21 ALA H . . A . 21 ALA MB . . . 21 ALA HN . . . . . 21 ALA QB . . rr_1kwj 1 460 1 . . 1 1 21 21 ALA H H . . . 1 1 22 22 GLU H H . . . . . . . 3.7 . . . . . A . 21 ALA H . . A . 22 GLU H . . . 21 ALA HN . . . . . 22 GLU- HN . . rr_1kwj 1 461 1 . . 1 1 21 21 ALA H H . . . 1 1 22 22 GLU HA H . . . . . . . 5.5 . . . . . A . 21 ALA H . . A . 22 GLU HA . . . 21 ALA HN . . . . . 22 GLU- HA . . rr_1kwj 1 462 1 . . 1 1 21 21 ALA H H . . . 1 1 23 23 LYS H H . . . . . . . 5.5 . . . . . A . 21 ALA H . . A . 23 LYS H . . . 21 ALA HN . . . . . 23 LYS+ HN . . rr_1kwj 1 463 1 . . 1 1 21 21 ALA H H . . . 1 1 23 23 LYS HB2 H . . . . . . . 5.5 . . . . . A . 21 ALA H . . A . 23 LYS HB2 . . . 21 ALA HN . . . . . 23 LYS+ HB2 . . rr_1kwj 1 464 1 . . 1 1 21 21 ALA MB H . . . 1 1 21 21 ALA HA H . . . . . . . 3.4 . . . . . A . 21 ALA MB . . A . 21 ALA HA . . . 21 ALA QB . . . . . 21 ALA HA . . rr_1kwj 1 465 1 . . 1 1 22 22 GLU H H . . . 1 1 21 21 ALA HA H . . . . . . . 4.2 . . . . . A . 22 GLU H . . A . 21 ALA HA . . . 22 GLU- HN . . . . . 21 ALA HA . . rr_1kwj 1 466 1 . . 1 1 23 23 LYS H H . . . 1 1 21 21 ALA HA H . . . . . . . 5.1 . . . . . A . 23 LYS H . . A . 21 ALA HA . . . 23 LYS+ HN . . . . . 21 ALA HA . . rr_1kwj 1 467 1 . . 1 1 24 24 LEU H H . . . 1 1 21 21 ALA HA H . . . . . . . 4.7 . . . . . A . 24 LEU H . . A . 21 ALA HA . . . 24 LEU HN . . . . . 21 ALA HA . . rr_1kwj 1 468 1 . . 1 1 21 21 ALA HA H . . . 1 1 24 24 LEU HB2 H . . . . . . . 4.7 . . . . . A . 21 ALA HA . . A . 24 LEU HB2 . . . 21 ALA HA . . . . . 24 LEU HB2 . . rr_1kwj 1 469 1 . . 1 1 21 21 ALA HA H . . . 1 1 25 25 GLY H H . . . . . . . 4.5 . . . . . A . 21 ALA HA . . A . 25 GLY H . . . 21 ALA HA . . . . . 25 GLY HN . . rr_1kwj 1 470 1 . . 1 1 21 21 ALA HA H . . . 1 1 26 26 CYS HA H . . . . . . . 5.5 . . . . . A . 21 ALA HA . . A . 26 CYS HA . . . 21 ALA HA . . . . . 26 CYSS HA . . rr_1kwj 1 471 1 . . 1 1 21 21 ALA MB H . . . 1 1 22 22 GLU H H . . . . . . . 3.7 . . . . . A . 21 ALA MB . . A . 22 GLU H . . . 21 ALA QB . . . . . 22 GLU- HN . . rr_1kwj 1 472 1 . . 1 1 21 21 ALA MB H . . . 1 1 22 22 GLU HA H . . . . . . . 5.6 . . . . . A . 21 ALA MB . . A . 22 GLU HA . . . 21 ALA QB . . . . . 22 GLU- HA . . rr_1kwj 1 473 1 . . 1 1 21 21 ALA MB H . . . 1 1 22 22 GLU HB2 H . . . . . . . 6.5 . . . . . A . 21 ALA MB . . A . 22 GLU HB2 . . . 21 ALA QB . . . . . 22 GLU- HB2 . . rr_1kwj 1 474 1 . . 1 1 21 21 ALA MB H . . . 1 1 22 22 GLU HB3 H . . . . . . . 6.5 . . . . . A . 21 ALA MB . . A . 22 GLU HB3 . . . 21 ALA QB . . . . . 22 GLU- HB3 . . rr_1kwj 1 475 1 . . 1 1 21 21 ALA MB H . . . 1 1 22 22 GLU HG2 H . . . . . . . 6.5 . . . . . A . 21 ALA MB . . A . 22 GLU HG2 . . . 21 ALA QB . . . . . 22 GLU- HG2 . . rr_1kwj 1 476 1 . . 1 1 21 21 ALA MB H . . . 1 1 22 22 GLU HG3 H . . . . . . . 6.5 . . . . . A . 21 ALA MB . . A . 22 GLU HG3 . . . 21 ALA QB . . . . . 22 GLU- HG3 . . rr_1kwj 1 477 1 . . 1 1 21 21 ALA MB H . . . 1 1 23 23 LYS H H . . . . . . . 6.4 . . . . . A . 21 ALA MB . . A . 23 LYS H . . . 21 ALA QB . . . . . 23 LYS+ HN . . rr_1kwj 1 478 1 . . 1 1 21 21 ALA MB H . . . 1 1 25 25 GLY H H . . . . . . . 6.2 . . . . . A . 21 ALA MB . . A . 25 GLY H . . . 21 ALA QB . . . . . 25 GLY HN . . rr_1kwj 1 479 1 . . 1 1 21 21 ALA MB H . . . 1 1 26 26 CYS H H . . . . . . . 6.5 . . . . . A . 21 ALA MB . . A . 26 CYS H . . . 21 ALA QB . . . . . 26 CYSS HN . . rr_1kwj 1 480 1 . . 1 1 21 21 ALA MB H . . . 1 1 26 26 CYS HA H . . . . . . . 6.5 . . . . . A . 21 ALA MB . . A . 26 CYS HA . . . 21 ALA QB . . . . . 26 CYSS HA . . rr_1kwj 1 481 1 . . 1 1 22 22 GLU H H . . . 1 1 22 22 GLU HA H . . . . . . . 3.5 . . . . . A . 22 GLU H . . A . 22 GLU HA . . . 22 GLU- HN . . . . . 22 GLU- HA . . rr_1kwj 1 482 1 . . 1 1 22 22 GLU H H . . . 1 1 22 22 GLU HB2 H . . . . . . . 3.3 . . . . . A . 22 GLU H . . A . 22 GLU HB2 . . . 22 GLU- HN . . . . . 22 GLU- HB2 . . rr_1kwj 1 483 1 . . 1 1 22 22 GLU H H . . . 1 1 22 22 GLU HB3 H . . . . . . . 3.7 . . . . . A . 22 GLU H . . A . 22 GLU HB3 . . . 22 GLU- HN . . . . . 22 GLU- HB3 . . rr_1kwj 1 484 1 . . 1 1 22 22 GLU H H . . . 1 1 22 22 GLU HG2 H . . . . . . . 3.5 . . . . . A . 22 GLU H . . A . 22 GLU HG2 . . . 22 GLU- HN . . . . . 22 GLU- HG2 . . rr_1kwj 1 485 1 . . 1 1 22 22 GLU HG3 H . . . 1 1 22 22 GLU H H . . . . . . . 4.2 . . . . . A . 22 GLU HG3 . . A . 22 GLU H . . . 22 GLU- HG3 . . . . . 22 GLU- HN . . rr_1kwj 1 486 1 . . 1 1 22 22 GLU H H . . . 1 1 23 23 LYS H H . . . . . . . 3.5 . . . . . A . 22 GLU H . . A . 23 LYS H . . . 22 GLU- HN . . . . . 23 LYS+ HN . . rr_1kwj 1 487 1 . . 1 1 22 22 GLU H H . . . 1 1 24 24 LEU H H . . . . . . . 5.5 . . . . . A . 22 GLU H . . A . 24 LEU H . . . 22 GLU- HN . . . . . 24 LEU HN . . rr_1kwj 1 488 1 . . 1 1 22 22 GLU HB2 H . . . 1 1 22 22 GLU HA H . . . . . . . 3.5 . . . . . A . 22 GLU HB2 . . A . 22 GLU HA . . . 22 GLU- HB2 . . . . . 22 GLU- HA . . rr_1kwj 1 489 1 . . 1 1 22 22 GLU HB3 H . . . 1 1 22 22 GLU HA H . . . . . . . 3.4 . . . . . A . 22 GLU HB3 . . A . 22 GLU HA . . . 22 GLU- HB3 . . . . . 22 GLU- HA . . rr_1kwj 1 490 1 . . 1 1 22 22 GLU HG2 H . . . 1 1 22 22 GLU HA H . . . . . . . 4.6 . . . . . A . 22 GLU HG2 . . A . 22 GLU HA . . . 22 GLU- HG2 . . . . . 22 GLU- HA . . rr_1kwj 1 491 1 . . 1 1 22 22 GLU HG3 H . . . 1 1 22 22 GLU HA H . . . . . . . 3.6 . . . . . A . 22 GLU HG3 . . A . 22 GLU HA . . . 22 GLU- HG3 . . . . . 22 GLU- HA . . rr_1kwj 1 492 1 . . 1 1 23 23 LYS H H . . . 1 1 22 22 GLU HA H . . . . . . . 4.4 . . . . . A . 23 LYS H . . A . 22 GLU HA . . . 23 LYS+ HN . . . . . 22 GLU- HA . . rr_1kwj 1 493 1 . . 1 1 24 24 LEU H H . . . 1 1 22 22 GLU HA H . . . . . . . 5.5 . . . . . A . 24 LEU H . . A . 22 GLU HA . . . 24 LEU HN . . . . . 22 GLU- HA . . rr_1kwj 1 494 1 . . 1 1 22 22 GLU HB2 H . . . 1 1 22 22 GLU HG2 H . . . . . . . 2.6 . . . . . A . 22 GLU HB2 . . A . 22 GLU HG2 . . . 22 GLU- HB2 . . . . . 22 GLU- HG2 . . rr_1kwj 1 495 1 . . 1 1 22 22 GLU HG3 H . . . 1 1 22 22 GLU HB2 H . . . . . . . 2.9 . . . . . A . 22 GLU HG3 . . A . 22 GLU HB2 . . . 22 GLU- HG3 . . . . . 22 GLU- HB2 . . rr_1kwj 1 496 1 . . 1 1 22 22 GLU HB2 H . . . 1 1 23 23 LYS H H . . . . . . . 3.6 . . . . . A . 22 GLU HB2 . . A . 23 LYS H . . . 22 GLU- HB2 . . . . . 23 LYS+ HN . . rr_1kwj 1 497 1 . . 1 1 22 22 GLU HB3 H . . . 1 1 22 22 GLU HG2 H . . . . . . . 3.6 . . . . . A . 22 GLU HB3 . . A . 22 GLU HG2 . . . 22 GLU- HB3 . . . . . 22 GLU- HG2 . . rr_1kwj 1 498 1 . . 1 1 22 22 GLU HB3 H . . . 1 1 23 23 LYS H H . . . . . . . 4.0 . . . . . A . 22 GLU HB3 . . A . 23 LYS H . . . 22 GLU- HB3 . . . . . 23 LYS+ HN . . rr_1kwj 1 499 1 . . 1 1 22 22 GLU HG2 H . . . 1 1 23 23 LYS H H . . . . . . . 5.5 . . . . . A . 22 GLU HG2 . . A . 23 LYS H . . . 22 GLU- HG2 . . . . . 23 LYS+ HN . . rr_1kwj 1 500 1 . . 1 1 23 23 LYS H H . . . 1 1 23 23 LYS HA H . . . . . . . 3.6 . . . . . A . 23 LYS H . . A . 23 LYS HA . . . 23 LYS+ HN . . . . . 23 LYS+ HA . . rr_1kwj 1 501 1 . . 1 1 23 23 LYS H H . . . 1 1 23 23 LYS HB2 H . . . . . . . 3.5 . . . . . A . 23 LYS H . . A . 23 LYS HB2 . . . 23 LYS+ HN . . . . . 23 LYS+ HB2 . . rr_1kwj 1 502 1 . . 1 1 23 23 LYS H H . . . 1 1 23 23 LYS HB3 H . . . . . . . 3.5 . . . . . A . 23 LYS H . . A . 23 LYS HB3 . . . 23 LYS+ HN . . . . . 23 LYS+ HB3 . . rr_1kwj 1 503 1 . . 1 1 23 23 LYS H H . . . 1 1 23 23 LYS HG2 H . . . . . . . 4.7 . . . . . A . 23 LYS H . . A . 23 LYS HG2 . . . 23 LYS+ HN . . . . . 23 LYS+ HG2 . . rr_1kwj 1 504 1 . . 1 1 23 23 LYS H H . . . 1 1 23 23 LYS HG3 H . . . . . . . 3.7 . . . . . A . 23 LYS H . . A . 23 LYS HG3 . . . 23 LYS+ HN . . . . . 23 LYS+ HG3 . . rr_1kwj 1 505 1 . . 1 1 23 23 LYS H H . . . 1 1 23 23 LYS HD3 H . . . . . . . 4.6 . . . . . A . 23 LYS H . . A . 23 LYS HD3 . . . 23 LYS+ HN . . . . . 23 LYS+ HD3 . . rr_1kwj 1 506 1 . . 1 1 23 23 LYS H H . . . 1 1 24 24 LEU H H . . . . . . . 3.2 . . . . . A . 23 LYS H . . A . 24 LEU H . . . 23 LYS+ HN . . . . . 24 LEU HN . . rr_1kwj 1 507 1 . . 1 1 23 23 LYS H H . . . 1 1 24 24 LEU HA H . . . . . . . 5.5 . . . . . A . 23 LYS H . . A . 24 LEU HA . . . 23 LYS+ HN . . . . . 24 LEU HA . . rr_1kwj 1 508 1 . . 1 1 23 23 LYS H H . . . 1 1 24 24 LEU HB2 H . . . . . . . 5.2 . . . . . A . 23 LYS H . . A . 24 LEU HB2 . . . 23 LYS+ HN . . . . . 24 LEU HB2 . . rr_1kwj 1 509 1 . . 1 1 23 23 LYS H H . . . 1 1 24 24 LEU MD2 H . . . . . . . 6.5 . . . . . A . 23 LYS H . . A . 24 LEU MD2 . . . 23 LYS+ HN . . . . . 24 LEU QD2 . . rr_1kwj 1 510 1 . . 1 1 23 23 LYS H H . . . 1 1 25 25 GLY H H . . . . . . . 5.4 . . . . . A . 23 LYS H . . A . 25 GLY H . . . 23 LYS+ HN . . . . . 25 GLY HN . . rr_1kwj 1 511 1 . . 1 1 23 23 LYS HB2 H . . . 1 1 23 23 LYS HA H . . . . . . . 3.6 . . . . . A . 23 LYS HB2 . . A . 23 LYS HA . . . 23 LYS+ HB2 . . . . . 23 LYS+ HA . . rr_1kwj 1 512 1 . . 1 1 23 23 LYS HA H . . . 1 1 23 23 LYS HB3 H . . . . . . . 3.5 . . . . . A . 23 LYS HA . . A . 23 LYS HB3 . . . 23 LYS+ HA . . . . . 23 LYS+ HB3 . . rr_1kwj 1 513 1 . . 1 1 23 23 LYS HA H . . . 1 1 23 23 LYS HG2 H . . . . . . . 3.6 . . . . . A . 23 LYS HA . . A . 23 LYS HG2 . . . 23 LYS+ HA . . . . . 23 LYS+ HG2 . . rr_1kwj 1 514 1 . . 1 1 23 23 LYS HG3 H . . . 1 1 23 23 LYS HA H . . . . . . . 3.9 . . . . . A . 23 LYS HG3 . . A . 23 LYS HA . . . 23 LYS+ HG3 . . . . . 23 LYS+ HA . . rr_1kwj 1 515 1 . . 1 1 23 23 LYS HA H . . . 1 1 23 23 LYS HD2 H . . . . . . . 5.5 . . . . . A . 23 LYS HA . . A . 23 LYS HD2 . . . 23 LYS+ HA . . . . . 23 LYS+ HD2 . . rr_1kwj 1 516 1 . . 1 1 23 23 LYS HD3 H . . . 1 1 23 23 LYS HA H . . . . . . . 4.9 . . . . . A . 23 LYS HD3 . . A . 23 LYS HA . . . 23 LYS+ HD3 . . . . . 23 LYS+ HA . . rr_1kwj 1 517 1 . . 1 1 24 24 LEU H H . . . 1 1 23 23 LYS HA H . . . . . . . 4.6 . . . . . A . 24 LEU H . . A . 23 LYS HA . . . 24 LEU HN . . . . . 23 LYS+ HA . . rr_1kwj 1 518 1 . . 1 1 23 23 LYS HB2 H . . . 1 1 23 23 LYS HG2 H . . . . . . . 4.4 . . . . . A . 23 LYS HB2 . . A . 23 LYS HG2 . . . 23 LYS+ HB2 . . . . . 23 LYS+ HG2 . . rr_1kwj 1 519 1 . . 1 1 23 23 LYS HB2 H . . . 1 1 23 23 LYS HG3 H . . . . . . . 3.3 . . . . . A . 23 LYS HB2 . . A . 23 LYS HG3 . . . 23 LYS+ HB2 . . . . . 23 LYS+ HG3 . . rr_1kwj 1 520 1 . . 1 1 23 23 LYS HB2 H . . . 1 1 23 23 LYS HD3 H . . . . . . . 3.7 . . . . . A . 23 LYS HB2 . . A . 23 LYS HD3 . . . 23 LYS+ HB2 . . . . . 23 LYS+ HD3 . . rr_1kwj 1 521 1 . . 1 1 23 23 LYS HB2 H . . . 1 1 24 24 LEU H H . . . . . . . 3.9 . . . . . A . 23 LYS HB2 . . A . 24 LEU H . . . 23 LYS+ HB2 . . . . . 24 LEU HN . . rr_1kwj 1 522 1 . . 1 1 23 23 LYS HB2 H . . . 1 1 24 24 LEU HA H . . . . . . . 5.5 . . . . . A . 23 LYS HB2 . . A . 24 LEU HA . . . 23 LYS+ HB2 . . . . . 24 LEU HA . . rr_1kwj 1 523 1 . . 1 1 23 23 LYS HB3 H . . . 1 1 23 23 LYS HG2 H . . . . . . . 3.8 . . . . . A . 23 LYS HB3 . . A . 23 LYS HG2 . . . 23 LYS+ HB3 . . . . . 23 LYS+ HG2 . . rr_1kwj 1 524 1 . . 1 1 23 23 LYS HG3 H . . . 1 1 23 23 LYS HB3 H . . . . . . . 3.3 . . . . . A . 23 LYS HG3 . . A . 23 LYS HB3 . . . 23 LYS+ HG3 . . . . . 23 LYS+ HB3 . . rr_1kwj 1 525 1 . . 1 1 23 23 LYS HB3 H . . . 1 1 23 23 LYS HD2 H . . . . . . . 3.9 . . . . . A . 23 LYS HB3 . . A . 23 LYS HD2 . . . 23 LYS+ HB3 . . . . . 23 LYS+ HD2 . . rr_1kwj 1 526 1 . . 1 1 23 23 LYS HD3 H . . . 1 1 23 23 LYS HB3 H . . . . . . . 3.8 . . . . . A . 23 LYS HD3 . . A . 23 LYS HB3 . . . 23 LYS+ HD3 . . . . . 23 LYS+ HB3 . . rr_1kwj 1 527 1 . . 1 1 24 24 LEU H H . . . 1 1 23 23 LYS HB3 H . . . . . . . 4.0 . . . . . A . 24 LEU H . . A . 23 LYS HB3 . . . 24 LEU HN . . . . . 23 LYS+ HB3 . . rr_1kwj 1 528 1 . . 1 1 23 23 LYS HB3 H . . . 1 1 24 24 LEU HA H . . . . . . . 5.5 . . . . . A . 23 LYS HB3 . . A . 24 LEU HA . . . 23 LYS+ HB3 . . . . . 24 LEU HA . . rr_1kwj 1 529 1 . . 1 1 23 23 LYS HB3 H . . . 1 1 24 24 LEU MD1 H . . . . . . . 6.5 . . . . . A . 23 LYS HB3 . . A . 24 LEU MD1 . . . 23 LYS+ HB3 . . . . . 24 LEU QD1 . . rr_1kwj 1 530 1 . . 1 1 24 24 LEU MD2 H . . . 1 1 23 23 LYS HB3 H . . . . . . . 6.5 . . . . . A . 24 LEU MD2 . . A . 23 LYS HB3 . . . 24 LEU QD2 . . . . . 23 LYS+ HB3 . . rr_1kwj 1 531 1 . . 1 1 23 23 LYS HG2 H . . . 1 1 23 23 LYS HD2 H . . . . . . . 5.1 . . . . . A . 23 LYS HG2 . . A . 23 LYS HD2 . . . 23 LYS+ HG2 . . . . . 23 LYS+ HD2 . . rr_1kwj 1 532 1 . . 1 1 23 23 LYS HD3 H . . . 1 1 23 23 LYS HG2 H . . . . . . . 3.5 . . . . . A . 23 LYS HD3 . . A . 23 LYS HG2 . . . 23 LYS+ HD3 . . . . . 23 LYS+ HG2 . . rr_1kwj 1 533 1 . . 1 1 24 24 LEU MD2 H . . . 1 1 23 23 LYS HG2 H . . . . . . . 6.5 . . . . . A . 24 LEU MD2 . . A . 23 LYS HG2 . . . 24 LEU QD2 . . . . . 23 LYS+ HG2 . . rr_1kwj 1 534 1 . . 1 1 23 23 LYS HG3 H . . . 1 1 23 23 LYS HD2 H . . . . . . . 4.1 . . . . . A . 23 LYS HG3 . . A . 23 LYS HD2 . . . 23 LYS+ HG3 . . . . . 23 LYS+ HD2 . . rr_1kwj 1 535 1 . . 1 1 23 23 LYS HG3 H . . . 1 1 24 24 LEU H H . . . . . . . 5.4 . . . . . A . 23 LYS HG3 . . A . 24 LEU H . . . 23 LYS+ HG3 . . . . . 24 LEU HN . . rr_1kwj 1 536 1 . . 1 1 24 24 LEU H H . . . 1 1 24 24 LEU HA H . . . . . . . 3.8 . . . . . A . 24 LEU H . . A . 24 LEU HA . . . 24 LEU HN . . . . . 24 LEU HA . . rr_1kwj 1 537 1 . . 1 1 24 24 LEU H H . . . 1 1 24 24 LEU HB2 H . . . . . . . 3.4 . . . . . A . 24 LEU H . . A . 24 LEU HB2 . . . 24 LEU HN . . . . . 24 LEU HB2 . . rr_1kwj 1 538 1 . . 1 1 24 24 LEU H H . . . 1 1 24 24 LEU HB3 H . . . . . . . 3.9 . . . . . A . 24 LEU H . . A . 24 LEU HB3 . . . 24 LEU HN . . . . . 24 LEU HB3 . . rr_1kwj 1 539 1 . . 1 1 24 24 LEU H H . . . 1 1 24 24 LEU HG H . . . . . . . 3.3 . . . . . A . 24 LEU H . . A . 24 LEU HG . . . 24 LEU HN . . . . . 24 LEU HG . . rr_1kwj 1 540 1 . . 1 1 24 24 LEU H H . . . 1 1 24 24 LEU MD1 H . . . . . . . 6.5 . . . . . A . 24 LEU H . . A . 24 LEU MD1 . . . 24 LEU HN . . . . . 24 LEU QD1 . . rr_1kwj 1 541 1 . . 1 1 24 24 LEU H H . . . 1 1 24 24 LEU MD2 H . . . . . . . 5.9 . . . . . A . 24 LEU H . . A . 24 LEU MD2 . . . 24 LEU HN . . . . . 24 LEU QD2 . . rr_1kwj 1 542 1 . . 1 1 24 24 LEU H H . . . 1 1 25 25 GLY H H . . . . . . . 3.2 . . . . . A . 24 LEU H . . A . 25 GLY H . . . 24 LEU HN . . . . . 25 GLY HN . . rr_1kwj 1 543 1 . . 1 1 24 24 LEU H H . . . 1 1 25 25 GLY HA2 H . . . . . . . 5.2 . . . . . A . 24 LEU H . . A . 25 GLY HA2 . . . 24 LEU HN . . . . . 25 GLY HA1 . . rr_1kwj 1 544 1 . . 1 1 24 24 LEU HB2 H . . . 1 1 24 24 LEU HA H . . . . . . . 3.6 . . . . . A . 24 LEU HB2 . . A . 24 LEU HA . . . 24 LEU HB2 . . . . . 24 LEU HA . . rr_1kwj 1 545 1 . . 1 1 24 24 LEU HA H . . . 1 1 24 24 LEU HB3 H . . . . . . . 3.3 . . . . . A . 24 LEU HA . . A . 24 LEU HB3 . . . 24 LEU HA . . . . . 24 LEU HB3 . . rr_1kwj 1 546 1 . . 1 1 24 24 LEU HA H . . . 1 1 24 24 LEU HG H . . . . . . . 3.5 . . . . . A . 24 LEU HA . . A . 24 LEU HG . . . 24 LEU HA . . . . . 24 LEU HG . . rr_1kwj 1 547 1 . . 1 1 24 24 LEU HA H . . . 1 1 24 24 LEU MD1 H . . . . . . . 6.5 . . . . . A . 24 LEU HA . . A . 24 LEU MD1 . . . 24 LEU HA . . . . . 24 LEU QD1 . . rr_1kwj 1 548 1 . . 1 1 24 24 LEU MD2 H . . . 1 1 24 24 LEU HA H . . . . . . . 4.0 . . . . . A . 24 LEU MD2 . . A . 24 LEU HA . . . 24 LEU QD2 . . . . . 24 LEU HA . . rr_1kwj 1 549 1 . . 1 1 25 25 GLY H H . . . 1 1 24 24 LEU HA H . . . . . . . 4.3 . . . . . A . 25 GLY H . . A . 24 LEU HA . . . 25 GLY HN . . . . . 24 LEU HA . . rr_1kwj 1 550 1 . . 1 1 24 24 LEU HA H . . . 1 1 28 28 ALA MB H . . . . . . . 3.8 . . . . . A . 24 LEU HA . . A . 28 ALA MB . . . 24 LEU HA . . . . . 28 ALA QB . . rr_1kwj 1 551 1 . . 1 1 24 24 LEU HB2 H . . . 1 1 24 24 LEU HG H . . . . . . . 4.2 . . . . . A . 24 LEU HB2 . . A . 24 LEU HG . . . 24 LEU HB2 . . . . . 24 LEU HG . . rr_1kwj 1 552 1 . . 1 1 24 24 LEU HB2 H . . . 1 1 24 24 LEU MD1 H . . . . . . . 5.5 . . . . . A . 24 LEU HB2 . . A . 24 LEU MD1 . . . 24 LEU HB2 . . . . . 24 LEU QD1 . . rr_1kwj 1 553 1 . . 1 1 24 24 LEU MD2 H . . . 1 1 24 24 LEU HB2 H . . . . . . . 4.6 . . . . . A . 24 LEU MD2 . . A . 24 LEU HB2 . . . 24 LEU QD2 . . . . . 24 LEU HB2 . . rr_1kwj 1 554 1 . . 1 1 24 24 LEU HB2 H . . . 1 1 25 25 GLY H H . . . . . . . 4.0 . . . . . A . 24 LEU HB2 . . A . 25 GLY H . . . 24 LEU HB2 . . . . . 25 GLY HN . . rr_1kwj 1 555 1 . . 1 1 24 24 LEU HB2 H . . . 1 1 28 28 ALA MB H . . . . . . . 5.7 . . . . . A . 24 LEU HB2 . . A . 28 ALA MB . . . 24 LEU HB2 . . . . . 28 ALA QB . . rr_1kwj 1 556 1 . . 1 1 24 24 LEU HB3 H . . . 1 1 24 24 LEU HG H . . . . . . . 4.2 . . . . . A . 24 LEU HB3 . . A . 24 LEU HG . . . 24 LEU HB3 . . . . . 24 LEU HG . . rr_1kwj 1 557 1 . . 1 1 24 24 LEU MD1 H . . . 1 1 24 24 LEU HB3 H . . . . . . . 5.3 . . . . . A . 24 LEU MD1 . . A . 24 LEU HB3 . . . 24 LEU QD1 . . . . . 24 LEU HB3 . . rr_1kwj 1 558 1 . . 1 1 24 24 LEU MD2 H . . . 1 1 24 24 LEU HB3 H . . . . . . . 3.9 . . . . . A . 24 LEU MD2 . . A . 24 LEU HB3 . . . 24 LEU QD2 . . . . . 24 LEU HB3 . . rr_1kwj 1 559 1 . . 1 1 25 25 GLY H H . . . 1 1 24 24 LEU HB3 H . . . . . . . 4.4 . . . . . A . 25 GLY H . . A . 24 LEU HB3 . . . 25 GLY HN . . . . . 24 LEU HB3 . . rr_1kwj 1 560 1 . . 1 1 24 24 LEU HB3 H . . . 1 1 28 28 ALA H H . . . . . . . 5.5 . . . . . A . 24 LEU HB3 . . A . 28 ALA H . . . 24 LEU HB3 . . . . . 28 ALA HN . . rr_1kwj 1 561 1 . . 1 1 24 24 LEU HB3 H . . . 1 1 28 28 ALA MB H . . . . . . . 5.2 . . . . . A . 24 LEU HB3 . . A . 28 ALA MB . . . 24 LEU HB3 . . . . . 28 ALA QB . . rr_1kwj 1 562 1 . . 1 1 24 24 LEU MD1 H . . . 1 1 24 24 LEU HG H . . . . . . . 5.7 . . . . . A . 24 LEU MD1 . . A . 24 LEU HG . . . 24 LEU QD1 . . . . . 24 LEU HG . . rr_1kwj 1 563 1 . . 1 1 24 24 LEU MD2 H . . . 1 1 24 24 LEU HG H . . . . . . . 4.6 . . . . . A . 24 LEU MD2 . . A . 24 LEU HG . . . 24 LEU QD2 . . . . . 24 LEU HG . . rr_1kwj 1 564 1 . . 1 1 25 25 GLY H H . . . 1 1 24 24 LEU HG H . . . . . . . 5.5 . . . . . A . 25 GLY H . . A . 24 LEU HG . . . 25 GLY HN . . . . . 24 LEU HG . . rr_1kwj 1 565 1 . . 1 1 25 25 GLY H H . . . 1 1 24 24 LEU MD1 H . . . . . . . 6.5 . . . . . A . 25 GLY H . . A . 24 LEU MD1 . . . 25 GLY HN . . . . . 24 LEU QD1 . . rr_1kwj 1 566 1 . . 1 1 25 25 GLY H H . . . 1 1 25 25 GLY HA2 H . . . . . . . 3.2 . . . . . A . 25 GLY H . . A . 25 GLY HA2 . . . 25 GLY HN . . . . . 25 GLY HA1 . . rr_1kwj 1 567 1 . . 1 1 25 25 GLY H H . . . 1 1 25 25 GLY HA3 H . . . . . . . 3.4 . . . . . A . 25 GLY H . . A . 25 GLY HA3 . . . 25 GLY HN . . . . . 25 GLY HA2 . . rr_1kwj 1 568 1 . . 1 1 25 25 GLY H H . . . 1 1 26 26 CYS H H . . . . . . . 4.0 . . . . . A . 25 GLY H . . A . 26 CYS H . . . 25 GLY HN . . . . . 26 CYSS HN . . rr_1kwj 1 569 1 . . 1 1 26 26 CYS H H . . . 1 1 25 25 GLY HA2 H . . . . . . . 3.5 . . . . . A . 26 CYS H . . A . 25 GLY HA2 . . . 26 CYSS HN . . . . . 25 GLY HA1 . . rr_1kwj 1 570 1 . . 1 1 26 26 CYS HA H . . . 1 1 25 25 GLY HA2 H . . . . . . . 5.3 . . . . . A . 26 CYS HA . . A . 25 GLY HA2 . . . 26 CYSS HA . . . . . 25 GLY HA1 . . rr_1kwj 1 571 1 . . 1 1 25 25 GLY HA2 H . . . 1 1 27 27 ASP H H . . . . . . . 5.5 . . . . . A . 25 GLY HA2 . . A . 27 ASP H . . . 25 GLY HA1 . . . . . 27 ASP- HN . . rr_1kwj 1 572 1 . . 1 1 25 25 GLY HA2 H . . . 1 1 28 28 ALA H H . . . . . . . 5.5 . . . . . A . 25 GLY HA2 . . A . 28 ALA H . . . 25 GLY HA1 . . . . . 28 ALA HN . . rr_1kwj 1 573 1 . . 1 1 26 26 CYS H H . . . 1 1 25 25 GLY HA3 H . . . . . . . 3.5 . . . . . A . 26 CYS H . . A . 25 GLY HA3 . . . 26 CYSS HN . . . . . 25 GLY HA2 . . rr_1kwj 1 574 1 . . 1 1 25 25 GLY HA3 H . . . 1 1 27 27 ASP H H . . . . . . . 5.5 . . . . . A . 25 GLY HA3 . . A . 27 ASP H . . . 25 GLY HA2 . . . . . 27 ASP- HN . . rr_1kwj 1 575 1 . . 1 1 28 28 ALA H H . . . 1 1 25 25 GLY HA3 H . . . . . . . 5.5 . . . . . A . 28 ALA H . . A . 25 GLY HA3 . . . 28 ALA HN . . . . . 25 GLY HA2 . . rr_1kwj 1 576 1 . . 1 1 26 26 CYS HA H . . . 1 1 26 26 CYS H H . . . . . . . 3.7 . . . . . A . 26 CYS HA . . A . 26 CYS H . . . 26 CYSS HA . . . . . 26 CYSS HN . . rr_1kwj 1 577 1 . . 1 1 26 26 CYS H H . . . 1 1 26 26 CYS HB2 H . . . . . . . 3.6 . . . . . A . 26 CYS H . . A . 26 CYS HB2 . . . 26 CYSS HN . . . . . 26 CYSS HB2 . . rr_1kwj 1 578 1 . . 1 1 26 26 CYS H H . . . 1 1 26 26 CYS HB3 H . . . . . . . 4.4 . . . . . A . 26 CYS H . . A . 26 CYS HB3 . . . 26 CYSS HN . . . . . 26 CYSS HB3 . . rr_1kwj 1 579 1 . . 1 1 26 26 CYS H H . . . 1 1 27 27 ASP H H . . . . . . . 3.8 . . . . . A . 26 CYS H . . A . 27 ASP H . . . 26 CYSS HN . . . . . 27 ASP- HN . . rr_1kwj 1 580 1 . . 1 1 26 26 CYS H H . . . 1 1 28 28 ALA MB H . . . . . . . 4.7 . . . . . A . 26 CYS H . . A . 28 ALA MB . . . 26 CYSS HN . . . . . 28 ALA QB . . rr_1kwj 1 581 1 . . 1 1 26 26 CYS HA H . . . 1 1 26 26 CYS HB2 H . . . . . . . 3.3 . . . . . A . 26 CYS HA . . A . 26 CYS HB2 . . . 26 CYSS HA . . . . . 26 CYSS HB2 . . rr_1kwj 1 582 1 . . 1 1 26 26 CYS HA H . . . 1 1 26 26 CYS HB3 H . . . . . . . 3.6 . . . . . A . 26 CYS HA . . A . 26 CYS HB3 . . . 26 CYSS HA . . . . . 26 CYSS HB3 . . rr_1kwj 1 583 1 . . 1 1 26 26 CYS HA H . . . 1 1 27 27 ASP H H . . . . . . . 4.7 . . . . . A . 26 CYS HA . . A . 27 ASP H . . . 26 CYSS HA . . . . . 27 ASP- HN . . rr_1kwj 1 584 1 . . 1 1 26 26 CYS HA H . . . 1 1 27 27 ASP HA H . . . . . . . 5.5 . . . . . A . 26 CYS HA . . A . 27 ASP HA . . . 26 CYSS HA . . . . . 27 ASP- HA . . rr_1kwj 1 585 1 . . 1 1 26 26 CYS HA H . . . 1 1 28 28 ALA H H . . . . . . . 5.5 . . . . . A . 26 CYS HA . . A . 28 ALA H . . . 26 CYSS HA . . . . . 28 ALA HN . . rr_1kwj 1 586 1 . . 1 1 27 27 ASP H H . . . 1 1 26 26 CYS HB2 H . . . . . . . 3.7 . . . . . A . 27 ASP H . . A . 26 CYS HB2 . . . 27 ASP- HN . . . . . 26 CYSS HB2 . . rr_1kwj 1 587 1 . . 1 1 26 26 CYS HB2 H . . . 1 1 27 27 ASP HA H . . . . . . . 5.5 . . . . . A . 26 CYS HB2 . . A . 27 ASP HA . . . 26 CYSS HB2 . . . . . 27 ASP- HA . . rr_1kwj 1 588 1 . . 1 1 27 27 ASP H H . . . 1 1 26 26 CYS HB3 H . . . . . . . 4.4 . . . . . A . 27 ASP H . . A . 26 CYS HB3 . . . 27 ASP- HN . . . . . 26 CYSS HB3 . . rr_1kwj 1 589 1 . . 1 1 26 26 CYS HB3 H . . . 1 1 29 29 CYS HB2 H . . . . . . . 4.7 . . . . . A . 26 CYS HB3 . . A . 29 CYS HB2 . . . 26 CYSS HB3 . . . . . 29 CYSS HB2 . . rr_1kwj 1 590 1 . . 1 1 27 27 ASP H H . . . 1 1 27 27 ASP HA H . . . . . . . 3.8 . . . . . A . 27 ASP H . . A . 27 ASP HA . . . 27 ASP- HN . . . . . 27 ASP- HA . . rr_1kwj 1 591 1 OR . 1 1 27 27 ASP H H . . . 1 1 27 27 ASP HB2 H . . . . . . . 4.4 . . . . . A . 27 ASP H . . A . 27 ASP HB2 . . . 27 ASP- HN . . . . . 27 ASP- QB . . rr_1kwj 1 591 2 OR . 1 1 27 27 ASP H H . . . 1 1 27 27 ASP HB3 H . . . . . . . 4.4 . . . . . A . 27 ASP H . . A . 27 ASP HB3 . . . 27 ASP- HN . . . . . 27 ASP- QB . . rr_1kwj 1 592 1 . . 1 1 28 28 ALA H H . . . 1 1 27 27 ASP H H . . . . . . . 3.4 . . . . . A . 28 ALA H . . A . 27 ASP H . . . 28 ALA HN . . . . . 27 ASP- HN . . rr_1kwj 1 593 1 . . 1 1 27 27 ASP H H . . . 1 1 28 28 ALA HA H . . . . . . . 5.5 . . . . . A . 27 ASP H . . A . 28 ALA HA . . . 27 ASP- HN . . . . . 28 ALA HA . . rr_1kwj 1 594 1 . . 1 1 28 28 ALA MB H . . . 1 1 27 27 ASP H H . . . . . . . 5.1 . . . . . A . 28 ALA MB . . A . 27 ASP H . . . 28 ALA QB . . . . . 27 ASP- HN . . rr_1kwj 1 595 1 . . 1 1 27 27 ASP H H . . . 1 1 29 29 CYS H H . . . . . . . 5.5 . . . . . A . 27 ASP H . . A . 29 CYS H . . . 27 ASP- HN . . . . . 29 CYSS HN . . rr_1kwj 1 596 1 OR . 1 1 27 27 ASP HA H . . . 1 1 27 27 ASP HB2 H . . . . . . . 3.9 . . . . . A . 27 ASP HA . . A . 27 ASP HB2 . . . 27 ASP- HA . . . . . 27 ASP- QB . . rr_1kwj 1 596 2 OR . 1 1 27 27 ASP HA H . . . 1 1 27 27 ASP HB3 H . . . . . . . 3.9 . . . . . A . 27 ASP HA . . A . 27 ASP HB3 . . . 27 ASP- HA . . . . . 27 ASP- QB . . rr_1kwj 1 597 1 . . 1 1 28 28 ALA H H . . . 1 1 27 27 ASP HA H . . . . . . . 4.2 . . . . . A . 28 ALA H . . A . 27 ASP HA . . . 28 ALA HN . . . . . 27 ASP- HA . . rr_1kwj 1 598 1 . . 1 1 28 28 ALA MB H . . . 1 1 27 27 ASP HA H . . . . . . . 6.5 . . . . . A . 28 ALA MB . . A . 27 ASP HA . . . 28 ALA QB . . . . . 27 ASP- HA . . rr_1kwj 1 599 1 . . 1 1 27 27 ASP HA H . . . 1 1 29 29 CYS H H . . . . . . . 4.9 . . . . . A . 27 ASP HA . . A . 29 CYS H . . . 27 ASP- HA . . . . . 29 CYSS HN . . rr_1kwj 1 600 1 . . 1 1 27 27 ASP HA H . . . 1 1 31 31 GLU HA H . . . . . . . 5.5 . . . . . A . 27 ASP HA . . A . 31 GLU HA . . . 27 ASP- HA . . . . . 31 GLU- HA . . rr_1kwj 1 601 1 . . 1 1 27 27 ASP HA H . . . 1 1 32 32 GLY H H . . . . . . . 5.5 . . . . . A . 27 ASP HA . . A . 32 GLY H . . . 27 ASP- HA . . . . . 32 GLY HN . . rr_1kwj 1 602 1 OR . 1 1 28 28 ALA H H . . . 1 1 27 27 ASP HB2 H . . . . . . . 6.2 . . . . . A . 28 ALA H . . A . 27 ASP HB2 . . . 28 ALA HN . . . . . 27 ASP- QB . . rr_1kwj 1 602 2 OR . 1 1 28 28 ALA H H . . . 1 1 27 27 ASP HB3 H . . . . . . . 6.2 . . . . . A . 28 ALA H . . A . 27 ASP HB3 . . . 28 ALA HN . . . . . 27 ASP- QB . . rr_1kwj 1 603 1 . . 1 1 28 28 ALA H H . . . 1 1 28 28 ALA HA H . . . . . . . 3.4 . . . . . A . 28 ALA H . . A . 28 ALA HA . . . 28 ALA HN . . . . . 28 ALA HA . . rr_1kwj 1 604 1 . . 1 1 28 28 ALA MB H . . . 1 1 28 28 ALA H H . . . . . . . 3.3 . . . . . A . 28 ALA MB . . A . 28 ALA H . . . 28 ALA QB . . . . . 28 ALA HN . . rr_1kwj 1 605 1 . . 1 1 28 28 ALA H H . . . 1 1 29 29 CYS H H . . . . . . . 3.2 . . . . . A . 28 ALA H . . A . 29 CYS H . . . 28 ALA HN . . . . . 29 CYSS HN . . rr_1kwj 1 606 1 . . 1 1 28 28 ALA MB H . . . 1 1 28 28 ALA HA H . . . . . . . 3.3 . . . . . A . 28 ALA MB . . A . 28 ALA HA . . . 28 ALA QB . . . . . 28 ALA HA . . rr_1kwj 1 607 1 . . 1 1 28 28 ALA HA H . . . 1 1 29 29 CYS H H . . . . . . . 4.4 . . . . . A . 28 ALA HA . . A . 29 CYS H . . . 28 ALA HA . . . . . 29 CYSS HN . . rr_1kwj 1 608 1 . . 1 1 28 28 ALA MB H . . . 1 1 29 29 CYS H H . . . . . . . 3.9 . . . . . A . 28 ALA MB . . A . 29 CYS H . . . 28 ALA QB . . . . . 29 CYSS HN . . rr_1kwj 1 609 1 . . 1 1 29 29 CYS H H . . . 1 1 29 29 CYS HA H . . . . . . . 3.8 . . . . . A . 29 CYS H . . A . 29 CYS HA . . . 29 CYSS HN . . . . . 29 CYSS HA . . rr_1kwj 1 610 1 . . 1 1 29 29 CYS HB2 H . . . 1 1 29 29 CYS H H . . . . . . . 4.9 . . . . . A . 29 CYS HB2 . . A . 29 CYS H . . . 29 CYSS HB2 . . . . . 29 CYSS HN . . rr_1kwj 1 611 1 . . 1 1 29 29 CYS H H . . . 1 1 29 29 CYS HB3 H . . . . . . . 5.5 . . . . . A . 29 CYS H . . A . 29 CYS HB3 . . . 29 CYSS HN . . . . . 29 CYSS HB3 . . rr_1kwj 1 612 1 . . 1 1 29 29 CYS HB2 H . . . 1 1 29 29 CYS HA H . . . . . . . 5.5 . . . . . A . 29 CYS HB2 . . A . 29 CYS HA . . . 29 CYSS HB2 . . . . . 29 CYSS HA . . rr_1kwj 1 613 1 . . 1 1 29 29 CYS HA H . . . 1 1 29 29 CYS HB3 H . . . . . . . 5.1 . . . . . A . 29 CYS HA . . A . 29 CYS HB3 . . . 29 CYSS HA . . . . . 29 CYSS HB3 . . rr_1kwj 1 614 1 . . 1 1 29 29 CYS HB2 H . . . 1 1 37 37 ILE MD H . . . . . . . 6.5 . . . . . A . 29 CYS HB2 . . A . 37 ILE MD . . . 29 CYSS HB2 . . . . . 37 ILE QD1 . . rr_1kwj 1 615 1 . . 1 1 29 29 CYS HB3 H . . . 1 1 37 37 ILE MD H . . . . . . . 6.5 . . . . . A . 29 CYS HB3 . . A . 37 ILE MD . . . 29 CYSS HB3 . . . . . 37 ILE QD1 . . rr_1kwj 1 616 1 . . 1 1 31 31 GLU HA H . . . 1 1 31 31 GLU H H . . . . . . . 3.9 . . . . . A . 31 GLU HA . . A . 31 GLU H . . . 31 GLU- HA . . . . . 31 GLU- HN . . rr_1kwj 1 617 1 . . 1 1 31 31 GLU H H . . . 1 1 31 31 GLU HB2 H . . . . . . . 4.7 . . . . . A . 31 GLU H . . A . 31 GLU HB2 . . . 31 GLU- HN . . . . . 31 GLU- HB2 . . rr_1kwj 1 618 1 . . 1 1 31 31 GLU H H . . . 1 1 31 31 GLU HB3 H . . . . . . . 3.5 . . . . . A . 31 GLU H . . A . 31 GLU HB3 . . . 31 GLU- HN . . . . . 31 GLU- HB3 . . rr_1kwj 1 619 1 . . 1 1 32 32 GLY H H . . . 1 1 31 31 GLU H H . . . . . . . 4.0 . . . . . A . 32 GLY H . . A . 31 GLU H . . . 32 GLY HN . . . . . 31 GLU- HN . . rr_1kwj 1 620 1 . . 1 1 31 31 GLU HA H . . . 1 1 31 31 GLU HB2 H . . . . . . . 4.3 . . . . . A . 31 GLU HA . . A . 31 GLU HB2 . . . 31 GLU- HA . . . . . 31 GLU- HB2 . . rr_1kwj 1 621 1 . . 1 1 31 31 GLU HA H . . . 1 1 31 31 GLU HB3 H . . . . . . . 3.2 . . . . . A . 31 GLU HA . . A . 31 GLU HB3 . . . 31 GLU- HA . . . . . 31 GLU- HB3 . . rr_1kwj 1 622 1 . . 1 1 31 31 GLU HA H . . . 1 1 32 32 GLY H H . . . . . . . 3.3 . . . . . A . 31 GLU HA . . A . 32 GLY H . . . 31 GLU- HA . . . . . 32 GLY HN . . rr_1kwj 1 623 1 . . 1 1 32 32 GLY H H . . . 1 1 31 31 GLU HB2 H . . . . . . . 4.9 . . . . . A . 32 GLY H . . A . 31 GLU HB2 . . . 32 GLY HN . . . . . 31 GLU- HB2 . . rr_1kwj 1 624 1 . . 1 1 32 32 GLY H H . . . 1 1 31 31 GLU HB3 H . . . . . . . 4.1 . . . . . A . 32 GLY H . . A . 31 GLU HB3 . . . 32 GLY HN . . . . . 31 GLU- HB3 . . rr_1kwj 1 625 1 . . 1 1 32 32 GLY H H . . . 1 1 32 32 GLY HA2 H . . . . . . . 3.9 . . . . . A . 32 GLY H . . A . 32 GLY HA2 . . . 32 GLY HN . . . . . 32 GLY HA1 . . rr_1kwj 1 626 1 . . 1 1 32 32 GLY H H . . . 1 1 32 32 GLY HA3 H . . . . . . . 4.5 . . . . . A . 32 GLY H . . A . 32 GLY HA3 . . . 32 GLY HN . . . . . 32 GLY HA2 . . rr_1kwj 1 627 1 . . 1 1 32 32 GLY H H . . . 1 1 33 33 THR H H . . . . . . . 5.5 . . . . . A . 32 GLY H . . A . 33 THR H . . . 32 GLY HN . . . . . 33 THR HN . . rr_1kwj 1 628 1 . . 1 1 33 33 THR H H . . . 1 1 33 33 THR HB H . . . . . . . 4.3 . . . . . A . 33 THR H . . A . 33 THR HB . . . 33 THR HN . . . . . 33 THR HB . . rr_1kwj 1 629 1 . . 1 1 33 33 THR H H . . . 1 1 33 33 THR MG H . . . . . . . 6.5 . . . . . A . 33 THR H . . A . 33 THR MG . . . 33 THR HN . . . . . 33 THR QG2 . . rr_1kwj 1 630 1 . . 1 1 34 34 PRO HD2 H . . . 1 1 33 33 THR HA H . . . . . . . 5.5 . . . . . A . 34 PRO HD2 . . A . 33 THR HA . . . 34 PRO HD2 . . . . . 33 THR HA . . rr_1kwj 1 631 1 . . 1 1 33 33 THR HB H . . . 1 1 33 33 THR MG H . . . . . . . 4.1 . . . . . A . 33 THR HB . . A . 33 THR MG . . . 33 THR HB . . . . . 33 THR QG2 . . rr_1kwj 1 632 1 . . 1 1 34 34 PRO HA H . . . 1 1 33 33 THR HB H . . . . . . . 5.5 . . . . . A . 34 PRO HA . . A . 33 THR HB . . . 34 PRO HA . . . . . 33 THR HB . . rr_1kwj 1 633 1 . . 1 1 34 34 PRO HG2 H . . . 1 1 33 33 THR MG H . . . . . . . 6.5 . . . . . A . 34 PRO HG2 . . A . 33 THR MG . . . 34 PRO HG2 . . . . . 33 THR QG2 . . rr_1kwj 1 634 1 . . 1 1 35 35 ALA MB H . . . 1 1 33 33 THR MG H . . . . . . . 7.5 . . . . . A . 35 ALA MB . . A . 33 THR MG . . . 35 ALA QB . . . . . 33 THR QG2 . . rr_1kwj 1 635 1 . . 1 1 34 34 PRO HA H . . . 1 1 34 34 PRO HB3 H . . . . . . . 4.2 . . . . . A . 34 PRO HA . . A . 34 PRO HB3 . . . 34 PRO HA . . . . . 34 PRO HB3 . . rr_1kwj 1 636 1 . . 1 1 34 34 PRO HA H . . . 1 1 34 34 PRO HG2 H . . . . . . . 5.5 . . . . . A . 34 PRO HA . . A . 34 PRO HG2 . . . 34 PRO HA . . . . . 34 PRO HG2 . . rr_1kwj 1 637 1 . . 1 1 34 34 PRO HA H . . . 1 1 34 34 PRO HG3 H . . . . . . . 5.5 . . . . . A . 34 PRO HA . . A . 34 PRO HG3 . . . 34 PRO HA . . . . . 34 PRO HG3 . . rr_1kwj 1 638 1 . . 1 1 34 34 PRO HA H . . . 1 1 34 34 PRO HD2 H . . . . . . . 5.5 . . . . . A . 34 PRO HA . . A . 34 PRO HD2 . . . 34 PRO HA . . . . . 34 PRO HD2 . . rr_1kwj 1 639 1 . . 1 1 34 34 PRO HA H . . . 1 1 34 34 PRO HD3 H . . . . . . . 5.5 . . . . . A . 34 PRO HA . . A . 34 PRO HD3 . . . 34 PRO HA . . . . . 34 PRO HD3 . . rr_1kwj 1 640 1 . . 1 1 34 34 PRO HA H . . . 1 1 35 35 ALA H H . . . . . . . 3.3 . . . . . A . 34 PRO HA . . A . 35 ALA H . . . 34 PRO HA . . . . . 35 ALA HN . . rr_1kwj 1 641 1 . . 1 1 34 34 PRO HA H . . . 1 1 35 35 ALA MB H . . . . . . . 5.6 . . . . . A . 34 PRO HA . . A . 35 ALA MB . . . 34 PRO HA . . . . . 35 ALA QB . . rr_1kwj 1 642 1 . . 1 1 34 34 PRO HG2 H . . . 1 1 34 34 PRO HD2 H . . . . . . . 5.1 . . . . . A . 34 PRO HG2 . . A . 34 PRO HD2 . . . 34 PRO HG2 . . . . . 34 PRO HD2 . . rr_1kwj 1 643 1 . . 1 1 34 34 PRO HD3 H . . . 1 1 34 34 PRO HG2 H . . . . . . . 2.9 . . . . . A . 34 PRO HD3 . . A . 34 PRO HG2 . . . 34 PRO HD3 . . . . . 34 PRO HG2 . . rr_1kwj 1 644 1 . . 1 1 34 34 PRO HG3 H . . . 1 1 34 34 PRO HD2 H . . . . . . . 5.5 . . . . . A . 34 PRO HG3 . . A . 34 PRO HD2 . . . 34 PRO HG3 . . . . . 34 PRO HD2 . . rr_1kwj 1 645 1 . . 1 1 34 34 PRO HG3 H . . . 1 1 34 34 PRO HD3 H . . . . . . . 3.3 . . . . . A . 34 PRO HG3 . . A . 34 PRO HD3 . . . 34 PRO HG3 . . . . . 34 PRO HD3 . . rr_1kwj 1 646 1 . . 1 1 35 35 ALA H H . . . 1 1 35 35 ALA HA H . . . . . . . 4.4 . . . . . A . 35 ALA H . . A . 35 ALA HA . . . 35 ALA HN . . . . . 35 ALA HA . . rr_1kwj 1 647 1 . . 1 1 35 35 ALA H H . . . 1 1 35 35 ALA MB H . . . . . . . 4.2 . . . . . A . 35 ALA H . . A . 35 ALA MB . . . 35 ALA HN . . . . . 35 ALA QB . . rr_1kwj 1 648 1 . . 1 1 35 35 ALA HA H . . . 1 1 35 35 ALA MB H . . . . . . . 3.3 . . . . . A . 35 ALA HA . . A . 35 ALA MB . . . 35 ALA HA . . . . . 35 ALA QB . . rr_1kwj 1 649 1 . . 1 1 35 35 ALA HA H . . . 1 1 36 36 LYS H H . . . . . . . 3.3 . . . . . A . 35 ALA HA . . A . 36 LYS H . . . 35 ALA HA . . . . . 36 LYS+ HN . . rr_1kwj 1 650 1 . . 1 1 35 35 ALA HA H . . . 1 1 36 36 LYS HA H . . . . . . . 5.5 . . . . . A . 35 ALA HA . . A . 36 LYS HA . . . 35 ALA HA . . . . . 36 LYS+ HA . . rr_1kwj 1 651 1 . . 1 1 35 35 ALA HA H . . . 1 1 36 36 LYS HB3 H . . . . . . . 5.5 . . . . . A . 35 ALA HA . . A . 36 LYS HB3 . . . 35 ALA HA . . . . . 36 LYS+ HB3 . . rr_1kwj 1 652 1 . . 1 1 35 35 ALA HA H . . . 1 1 36 36 LYS HG2 H . . . . . . . 5.5 . . . . . A . 35 ALA HA . . A . 36 LYS HG2 . . . 35 ALA HA . . . . . 36 LYS+ HG2 . . rr_1kwj 1 653 1 . . 1 1 36 36 LYS H H . . . 1 1 35 35 ALA MB H . . . . . . . 3.4 . . . . . A . 36 LYS H . . A . 35 ALA MB . . . 36 LYS+ HN . . . . . 35 ALA QB . . rr_1kwj 1 654 1 . . 1 1 36 36 LYS HB3 H . . . 1 1 35 35 ALA MB H . . . . . . . 6.5 . . . . . A . 36 LYS HB3 . . A . 35 ALA MB . . . 36 LYS+ HB3 . . . . . 35 ALA QB . . rr_1kwj 1 655 1 . . 1 1 36 36 LYS H H . . . 1 1 36 36 LYS HA H . . . . . . . 3.8 . . . . . A . 36 LYS H . . A . 36 LYS HA . . . 36 LYS+ HN . . . . . 36 LYS+ HA . . rr_1kwj 1 656 1 . . 1 1 36 36 LYS H H . . . 1 1 36 36 LYS HB2 H . . . . . . . 4.7 . . . . . A . 36 LYS H . . A . 36 LYS HB2 . . . 36 LYS+ HN . . . . . 36 LYS+ HB2 . . rr_1kwj 1 657 1 . . 1 1 36 36 LYS H H . . . 1 1 36 36 LYS HB3 H . . . . . . . 3.2 . . . . . A . 36 LYS H . . A . 36 LYS HB3 . . . 36 LYS+ HN . . . . . 36 LYS+ HB3 . . rr_1kwj 1 658 1 . . 1 1 36 36 LYS H H . . . 1 1 36 36 LYS HG2 H . . . . . . . 2.9 . . . . . A . 36 LYS H . . A . 36 LYS HG2 . . . 36 LYS+ HN . . . . . 36 LYS+ HG2 . . rr_1kwj 1 659 1 . . 1 1 36 36 LYS H H . . . 1 1 36 36 LYS HG3 H . . . . . . . 5.5 . . . . . A . 36 LYS H . . A . 36 LYS HG3 . . . 36 LYS+ HN . . . . . 36 LYS+ HG3 . . rr_1kwj 1 660 1 . . 1 1 36 36 LYS H H . . . 1 1 37 37 ILE H H . . . . . . . 5.5 . . . . . A . 36 LYS H . . A . 37 ILE H . . . 36 LYS+ HN . . . . . 37 ILE HN . . rr_1kwj 1 661 1 . . 1 1 36 36 LYS HB2 H . . . 1 1 36 36 LYS HA H . . . . . . . 3.4 . . . . . A . 36 LYS HB2 . . A . 36 LYS HA . . . 36 LYS+ HB2 . . . . . 36 LYS+ HA . . rr_1kwj 1 662 1 . . 1 1 36 36 LYS HB3 H . . . 1 1 36 36 LYS HA H . . . . . . . 3.5 . . . . . A . 36 LYS HB3 . . A . 36 LYS HA . . . 36 LYS+ HB3 . . . . . 36 LYS+ HA . . rr_1kwj 1 663 1 . . 1 1 36 36 LYS HG2 H . . . 1 1 36 36 LYS HA H . . . . . . . 3.5 . . . . . A . 36 LYS HG2 . . A . 36 LYS HA . . . 36 LYS+ HG2 . . . . . 36 LYS+ HA . . rr_1kwj 1 664 1 . . 1 1 36 36 LYS HA H . . . 1 1 36 36 LYS HG3 H . . . . . . . 5.5 . . . . . A . 36 LYS HA . . A . 36 LYS HG3 . . . 36 LYS+ HA . . . . . 36 LYS+ HG3 . . rr_1kwj 1 665 1 . . 1 1 36 36 LYS HA H . . . 1 1 36 36 LYS HD2 H . . . . . . . 5.4 . . . . . A . 36 LYS HA . . A . 36 LYS HD2 . . . 36 LYS+ HA . . . . . 36 LYS+ HD2 . . rr_1kwj 1 666 1 . . 1 1 37 37 ILE H H . . . 1 1 36 36 LYS HA H . . . . . . . 2.9 . . . . . A . 37 ILE H . . A . 36 LYS HA . . . 37 ILE HN . . . . . 36 LYS+ HA . . rr_1kwj 1 667 1 . . 1 1 36 36 LYS HA H . . . 1 1 37 37 ILE HA H . . . . . . . 5.5 . . . . . A . 36 LYS HA . . A . 37 ILE HA . . . 36 LYS+ HA . . . . . 37 ILE HA . . rr_1kwj 1 668 1 . . 1 1 37 37 ILE HB H . . . 1 1 36 36 LYS HA H . . . . . . . 4.8 . . . . . A . 37 ILE HB . . A . 36 LYS HA . . . 37 ILE HB . . . . . 36 LYS+ HA . . rr_1kwj 1 669 1 . . 1 1 36 36 LYS HB2 H . . . 1 1 36 36 LYS HG2 H . . . . . . . 2.9 . . . . . A . 36 LYS HB2 . . A . 36 LYS HG2 . . . 36 LYS+ HB2 . . . . . 36 LYS+ HG2 . . rr_1kwj 1 670 1 . . 1 1 36 36 LYS HB2 H . . . 1 1 36 36 LYS HG3 H . . . . . . . 3.0 . . . . . A . 36 LYS HB2 . . A . 36 LYS HG3 . . . 36 LYS+ HB2 . . . . . 36 LYS+ HG3 . . rr_1kwj 1 671 1 . . 1 1 36 36 LYS HB2 H . . . 1 1 36 36 LYS HD2 H . . . . . . . 3.1 . . . . . A . 36 LYS HB2 . . A . 36 LYS HD2 . . . 36 LYS+ HB2 . . . . . 36 LYS+ HD2 . . rr_1kwj 1 672 1 . . 1 1 36 36 LYS HB2 H . . . 1 1 36 36 LYS HE2 H . . . . . . . 4.4 . . . . . A . 36 LYS HB2 . . A . 36 LYS HE2 . . . 36 LYS+ HB2 . . . . . 36 LYS+ HE2 . . rr_1kwj 1 673 1 . . 1 1 36 36 LYS HB2 H . . . 1 1 36 36 LYS HE3 H . . . . . . . 3.9 . . . . . A . 36 LYS HB2 . . A . 36 LYS HE3 . . . 36 LYS+ HB2 . . . . . 36 LYS+ HE3 . . rr_1kwj 1 674 1 . . 1 1 36 36 LYS HB2 H . . . 1 1 37 37 ILE H H . . . . . . . 3.6 . . . . . A . 36 LYS HB2 . . A . 37 ILE H . . . 36 LYS+ HB2 . . . . . 37 ILE HN . . rr_1kwj 1 675 1 . . 1 1 36 36 LYS HB2 H . . . 1 1 38 38 ALA HA H . . . . . . . 5.5 . . . . . A . 36 LYS HB2 . . A . 38 ALA HA . . . 36 LYS+ HB2 . . . . . 38 ALA HA . . rr_1kwj 1 676 1 . . 1 1 36 36 LYS HB3 H . . . 1 1 36 36 LYS HG2 H . . . . . . . 3.1 . . . . . A . 36 LYS HB3 . . A . 36 LYS HG2 . . . 36 LYS+ HB3 . . . . . 36 LYS+ HG2 . . rr_1kwj 1 677 1 . . 1 1 36 36 LYS HB3 H . . . 1 1 36 36 LYS HG3 H . . . . . . . 4.5 . . . . . A . 36 LYS HB3 . . A . 36 LYS HG3 . . . 36 LYS+ HB3 . . . . . 36 LYS+ HG3 . . rr_1kwj 1 678 1 . . 1 1 36 36 LYS HB3 H . . . 1 1 37 37 ILE H H . . . . . . . 4.6 . . . . . A . 36 LYS HB3 . . A . 37 ILE H . . . 36 LYS+ HB3 . . . . . 37 ILE HN . . rr_1kwj 1 679 1 . . 1 1 36 36 LYS HG2 H . . . 1 1 36 36 LYS HD2 H . . . . . . . 3.6 . . . . . A . 36 LYS HG2 . . A . 36 LYS HD2 . . . 36 LYS+ HG2 . . . . . 36 LYS+ HD2 . . rr_1kwj 1 680 1 . . 1 1 36 36 LYS HG2 H . . . 1 1 36 36 LYS HD3 H . . . . . . . 4.7 . . . . . A . 36 LYS HG2 . . A . 36 LYS HD3 . . . 36 LYS+ HG2 . . . . . 36 LYS+ HD3 . . rr_1kwj 1 681 1 . . 1 1 36 36 LYS HG2 H . . . 1 1 37 37 ILE H H . . . . . . . 5.1 . . . . . A . 36 LYS HG2 . . A . 37 ILE H . . . 36 LYS+ HG2 . . . . . 37 ILE HN . . rr_1kwj 1 682 1 . . 1 1 36 36 LYS HG3 H . . . 1 1 36 36 LYS HD3 H . . . . . . . 5.5 . . . . . A . 36 LYS HG3 . . A . 36 LYS HD3 . . . 36 LYS+ HG3 . . . . . 36 LYS+ HD3 . . rr_1kwj 1 683 1 . . 1 1 36 36 LYS HG3 H . . . 1 1 36 36 LYS HE2 H . . . . . . . 5.1 . . . . . A . 36 LYS HG3 . . A . 36 LYS HE2 . . . 36 LYS+ HG3 . . . . . 36 LYS+ HE2 . . rr_1kwj 1 684 1 . . 1 1 36 36 LYS HG3 H . . . 1 1 36 36 LYS HE3 H . . . . . . . 4.8 . . . . . A . 36 LYS HG3 . . A . 36 LYS HE3 . . . 36 LYS+ HG3 . . . . . 36 LYS+ HE3 . . rr_1kwj 1 685 1 . . 1 1 36 36 LYS HD2 H . . . 1 1 36 36 LYS HE2 H . . . . . . . 5.0 . . . . . A . 36 LYS HD2 . . A . 36 LYS HE2 . . . 36 LYS+ HD2 . . . . . 36 LYS+ HE2 . . rr_1kwj 1 686 1 . . 1 1 36 36 LYS HD2 H . . . 1 1 36 36 LYS HE3 H . . . . . . . 5.4 . . . . . A . 36 LYS HD2 . . A . 36 LYS HE3 . . . 36 LYS+ HD2 . . . . . 36 LYS+ HE3 . . rr_1kwj 1 687 1 . . 1 1 37 37 ILE H H . . . 1 1 37 37 ILE HA H . . . . . . . 5.5 . . . . . A . 37 ILE H . . A . 37 ILE HA . . . 37 ILE HN . . . . . 37 ILE HA . . rr_1kwj 1 688 1 . . 1 1 37 37 ILE H H . . . 1 1 37 37 ILE HB H . . . . . . . 3.5 . . . . . A . 37 ILE H . . A . 37 ILE HB . . . 37 ILE HN . . . . . 37 ILE HB . . rr_1kwj 1 689 1 . . 1 1 37 37 ILE H H . . . 1 1 37 37 ILE MG H . . . . . . . 6.5 . . . . . A . 37 ILE H . . A . 37 ILE MG . . . 37 ILE HN . . . . . 37 ILE QG2 . . rr_1kwj 1 690 1 . . 1 1 37 37 ILE H H . . . 1 1 37 37 ILE HG12 H . . . . . . . 5.3 . . . . . A . 37 ILE H . . A . 37 ILE HG12 . . . 37 ILE HN . . . . . 37 ILE HG12 . . rr_1kwj 1 691 1 . . 1 1 37 37 ILE H H . . . 1 1 37 37 ILE HG13 H . . . . . . . 5.0 . . . . . A . 37 ILE H . . A . 37 ILE HG13 . . . 37 ILE HN . . . . . 37 ILE HG13 . . rr_1kwj 1 692 1 . . 1 1 37 37 ILE MD H . . . 1 1 37 37 ILE H H . . . . . . . 6.0 . . . . . A . 37 ILE MD . . A . 37 ILE H . . . 37 ILE QD1 . . . . . 37 ILE HN . . rr_1kwj 1 693 1 . . 1 1 37 37 ILE H H . . . 1 1 38 38 ALA H H . . . . . . . 5.5 . . . . . A . 37 ILE H . . A . 38 ALA H . . . 37 ILE HN . . . . . 38 ALA HN . . rr_1kwj 1 694 1 . . 1 1 37 37 ILE HB H . . . 1 1 37 37 ILE HA H . . . . . . . 4.0 . . . . . A . 37 ILE HB . . A . 37 ILE HA . . . 37 ILE HB . . . . . 37 ILE HA . . rr_1kwj 1 695 1 . . 1 1 37 37 ILE MG H . . . 1 1 37 37 ILE HA H . . . . . . . 4.4 . . . . . A . 37 ILE MG . . A . 37 ILE HA . . . 37 ILE QG2 . . . . . 37 ILE HA . . rr_1kwj 1 696 1 . . 1 1 37 37 ILE HA H . . . 1 1 37 37 ILE HG12 H . . . . . . . 3.4 . . . . . A . 37 ILE HA . . A . 37 ILE HG12 . . . 37 ILE HA . . . . . 37 ILE HG12 . . rr_1kwj 1 697 1 . . 1 1 37 37 ILE HG13 H . . . 1 1 37 37 ILE HA H . . . . . . . 3.9 . . . . . A . 37 ILE HG13 . . A . 37 ILE HA . . . 37 ILE HG13 . . . . . 37 ILE HA . . rr_1kwj 1 698 1 . . 1 1 37 37 ILE MD H . . . 1 1 37 37 ILE HA H . . . . . . . 6.5 . . . . . A . 37 ILE MD . . A . 37 ILE HA . . . 37 ILE QD1 . . . . . 37 ILE HA . . rr_1kwj 1 699 1 . . 1 1 37 37 ILE HA H . . . 1 1 38 38 ALA H H . . . . . . . 3.1 . . . . . A . 37 ILE HA . . A . 38 ALA H . . . 37 ILE HA . . . . . 38 ALA HN . . rr_1kwj 1 700 1 . . 1 1 37 37 ILE HB H . . . 1 1 37 37 ILE MG H . . . . . . . 3.9 . . . . . A . 37 ILE HB . . A . 37 ILE MG . . . 37 ILE HB . . . . . 37 ILE QG2 . . rr_1kwj 1 701 1 . . 1 1 37 37 ILE HB H . . . 1 1 37 37 ILE HG12 H . . . . . . . 3.9 . . . . . A . 37 ILE HB . . A . 37 ILE HG12 . . . 37 ILE HB . . . . . 37 ILE HG12 . . rr_1kwj 1 702 1 . . 1 1 37 37 ILE HB H . . . 1 1 37 37 ILE HG13 H . . . . . . . 3.6 . . . . . A . 37 ILE HB . . A . 37 ILE HG13 . . . 37 ILE HB . . . . . 37 ILE HG13 . . rr_1kwj 1 703 1 . . 1 1 37 37 ILE MD H . . . 1 1 37 37 ILE HB H . . . . . . . 4.8 . . . . . A . 37 ILE MD . . A . 37 ILE HB . . . 37 ILE QD1 . . . . . 37 ILE HB . . rr_1kwj 1 704 1 . . 1 1 37 37 ILE HB H . . . 1 1 38 38 ALA H H . . . . . . . 5.1 . . . . . A . 37 ILE HB . . A . 38 ALA H . . . 37 ILE HB . . . . . 38 ALA HN . . rr_1kwj 1 705 1 . . 1 1 39 39 ILE HG12 H . . . 1 1 37 37 ILE HB H . . . . . . . 5.5 . . . . . A . 39 ILE HG12 . . A . 37 ILE HB . . . 39 ILE HG12 . . . . . 37 ILE HB . . rr_1kwj 1 706 1 . . 1 1 39 39 ILE MD H . . . 1 1 37 37 ILE HB H . . . . . . . 6.5 . . . . . A . 39 ILE MD . . A . 37 ILE HB . . . 39 ILE QD1 . . . . . 37 ILE HB . . rr_1kwj 1 707 1 . . 1 1 37 37 ILE MG H . . . 1 1 37 37 ILE HG12 H . . . . . . . 4.7 . . . . . A . 37 ILE MG . . A . 37 ILE HG12 . . . 37 ILE QG2 . . . . . 37 ILE HG12 . . rr_1kwj 1 708 1 . . 1 1 37 37 ILE MG H . . . 1 1 37 37 ILE HG13 H . . . . . . . 5.1 . . . . . A . 37 ILE MG . . A . 37 ILE HG13 . . . 37 ILE QG2 . . . . . 37 ILE HG13 . . rr_1kwj 1 709 1 . . 1 1 37 37 ILE MD H . . . 1 1 37 37 ILE MG H . . . . . . . 5.3 . . . . . A . 37 ILE MD . . A . 37 ILE MG . . . 37 ILE QD1 . . . . . 37 ILE QG2 . . rr_1kwj 1 710 1 . . 1 1 37 37 ILE MG H . . . 1 1 38 38 ALA H H . . . . . . . 5.2 . . . . . A . 37 ILE MG . . A . 38 ALA H . . . 37 ILE QG2 . . . . . 38 ALA HN . . rr_1kwj 1 711 1 . . 1 1 37 37 ILE MG H . . . 1 1 38 38 ALA MB H . . . . . . . 6.9 . . . . . A . 37 ILE MG . . A . 38 ALA MB . . . 37 ILE QG2 . . . . . 38 ALA QB . . rr_1kwj 1 712 1 . . 1 1 39 39 ILE HG12 H . . . 1 1 37 37 ILE MG H . . . . . . . 4.9 . . . . . A . 39 ILE HG12 . . A . 37 ILE MG . . . 39 ILE HG12 . . . . . 37 ILE QG2 . . rr_1kwj 1 713 1 . . 1 1 37 37 ILE MG H . . . 1 1 43 43 SER HB3 H . . . . . . . 6.5 . . . . . A . 37 ILE MG . . A . 43 SER HB3 . . . 37 ILE QG2 . . . . . 43 SER HB3 . . rr_1kwj 1 714 1 . . 1 1 37 37 ILE MD H . . . 1 1 37 37 ILE HG12 H . . . . . . . 4.7 . . . . . A . 37 ILE MD . . A . 37 ILE HG12 . . . 37 ILE QD1 . . . . . 37 ILE HG12 . . rr_1kwj 1 715 1 . . 1 1 37 37 ILE HG12 H . . . 1 1 38 38 ALA H H . . . . . . . 4.9 . . . . . A . 37 ILE HG12 . . A . 38 ALA H . . . 37 ILE HG12 . . . . . 38 ALA HN . . rr_1kwj 1 716 1 . . 1 1 37 37 ILE MD H . . . 1 1 37 37 ILE HG13 H . . . . . . . 5.3 . . . . . A . 37 ILE MD . . A . 37 ILE HG13 . . . 37 ILE QD1 . . . . . 37 ILE HG13 . . rr_1kwj 1 717 1 . . 1 1 37 37 ILE HG13 H . . . 1 1 38 38 ALA H H . . . . . . . 5.5 . . . . . A . 37 ILE HG13 . . A . 38 ALA H . . . 37 ILE HG13 . . . . . 38 ALA HN . . rr_1kwj 1 718 1 . . 1 1 37 37 ILE MD H . . . 1 1 38 38 ALA H H . . . . . . . 6.5 . . . . . A . 37 ILE MD . . A . 38 ALA H . . . 37 ILE QD1 . . . . . 38 ALA HN . . rr_1kwj 1 719 1 . . 1 1 39 39 ILE MD H . . . 1 1 37 37 ILE MD H . . . . . . . 7.5 . . . . . A . 39 ILE MD . . A . 37 ILE MD . . . 39 ILE QD1 . . . . . 37 ILE QD1 . . rr_1kwj 1 720 1 . . 1 1 37 37 ILE MD H . . . 1 1 48 48 ALA MB H . . . . . . . 7.5 . . . . . A . 37 ILE MD . . A . 48 ALA MB . . . 37 ILE QD1 . . . . . 48 ALA QB . . rr_1kwj 1 721 1 . . 1 1 38 38 ALA HA H . . . 1 1 38 38 ALA H H . . . . . . . 3.2 . . . . . A . 38 ALA HA . . A . 38 ALA H . . . 38 ALA HA . . . . . 38 ALA HN . . rr_1kwj 1 722 1 . . 1 1 38 38 ALA H H . . . 1 1 38 38 ALA MB H . . . . . . . 3.3 . . . . . A . 38 ALA H . . A . 38 ALA MB . . . 38 ALA HN . . . . . 38 ALA QB . . rr_1kwj 1 723 1 . . 1 1 39 39 ILE H H . . . 1 1 38 38 ALA H H . . . . . . . 4.9 . . . . . A . 39 ILE H . . A . 38 ALA H . . . 39 ILE HN . . . . . 38 ALA HN . . rr_1kwj 1 724 1 . . 1 1 38 38 ALA HA H . . . 1 1 38 38 ALA MB H . . . . . . . 3.3 . . . . . A . 38 ALA HA . . A . 38 ALA MB . . . 38 ALA HA . . . . . 38 ALA QB . . rr_1kwj 1 725 1 . . 1 1 39 39 ILE H H . . . 1 1 38 38 ALA HA H . . . . . . . 2.8 . . . . . A . 39 ILE H . . A . 38 ALA HA . . . 39 ILE HN . . . . . 38 ALA HA . . rr_1kwj 1 726 1 . . 1 1 39 39 ILE HA H . . . 1 1 38 38 ALA HA H . . . . . . . 5.2 . . . . . A . 39 ILE HA . . A . 38 ALA HA . . . 39 ILE HA . . . . . 38 ALA HA . . rr_1kwj 1 727 1 . . 1 1 39 39 ILE HB H . . . 1 1 38 38 ALA HA H . . . . . . . 4.7 . . . . . A . 39 ILE HB . . A . 38 ALA HA . . . 39 ILE HB . . . . . 38 ALA HA . . rr_1kwj 1 728 1 . . 1 1 39 39 ILE MG H . . . 1 1 38 38 ALA HA H . . . . . . . 6.5 . . . . . A . 39 ILE MG . . A . 38 ALA HA . . . 39 ILE QG2 . . . . . 38 ALA HA . . rr_1kwj 1 729 1 . . 1 1 39 39 ILE HG12 H . . . 1 1 38 38 ALA HA H . . . . . . . 4.8 . . . . . A . 39 ILE HG12 . . A . 38 ALA HA . . . 39 ILE HG12 . . . . . 38 ALA HA . . rr_1kwj 1 730 1 . . 1 1 39 39 ILE MD H . . . 1 1 38 38 ALA HA H . . . . . . . 6.5 . . . . . A . 39 ILE MD . . A . 38 ALA HA . . . 39 ILE QD1 . . . . . 38 ALA HA . . rr_1kwj 1 731 1 . . 1 1 39 39 ILE H H . . . 1 1 38 38 ALA MB H . . . . . . . 3.9 . . . . . A . 39 ILE H . . A . 38 ALA MB . . . 39 ILE HN . . . . . 38 ALA QB . . rr_1kwj 1 732 1 . . 1 1 39 39 ILE H H . . . 1 1 39 39 ILE HA H . . . . . . . 4.0 . . . . . A . 39 ILE H . . A . 39 ILE HA . . . 39 ILE HN . . . . . 39 ILE HA . . rr_1kwj 1 733 1 . . 1 1 39 39 ILE HB H . . . 1 1 39 39 ILE H H . . . . . . . 3.2 . . . . . A . 39 ILE HB . . A . 39 ILE H . . . 39 ILE HB . . . . . 39 ILE HN . . rr_1kwj 1 734 1 . . 1 1 39 39 ILE MG H . . . 1 1 39 39 ILE H H . . . . . . . 5.5 . . . . . A . 39 ILE MG . . A . 39 ILE H . . . 39 ILE QG2 . . . . . 39 ILE HN . . rr_1kwj 1 735 1 . . 1 1 39 39 ILE H H . . . 1 1 39 39 ILE HG12 H . . . . . . . 3.3 . . . . . A . 39 ILE H . . A . 39 ILE HG12 . . . 39 ILE HN . . . . . 39 ILE HG12 . . rr_1kwj 1 736 1 . . 1 1 39 39 ILE H H . . . 1 1 39 39 ILE HG13 H . . . . . . . 3.8 . . . . . A . 39 ILE H . . A . 39 ILE HG13 . . . 39 ILE HN . . . . . 39 ILE HG13 . . rr_1kwj 1 737 1 . . 1 1 39 39 ILE H H . . . 1 1 39 39 ILE MD H . . . . . . . 5.8 . . . . . A . 39 ILE H . . A . 39 ILE MD . . . 39 ILE HN . . . . . 39 ILE QD1 . . rr_1kwj 1 738 1 . . 1 1 39 39 ILE H H . . . 1 1 40 40 ASP H H . . . . . . . 4.9 . . . . . A . 39 ILE H . . A . 40 ASP H . . . 39 ILE HN . . . . . 40 ASP- HN . . rr_1kwj 1 739 1 . . 1 1 39 39 ILE HB H . . . 1 1 39 39 ILE HA H . . . . . . . 3.9 . . . . . A . 39 ILE HB . . A . 39 ILE HA . . . 39 ILE HB . . . . . 39 ILE HA . . rr_1kwj 1 740 1 . . 1 1 39 39 ILE MG H . . . 1 1 39 39 ILE HA H . . . . . . . 4.4 . . . . . A . 39 ILE MG . . A . 39 ILE HA . . . 39 ILE QG2 . . . . . 39 ILE HA . . rr_1kwj 1 741 1 . . 1 1 39 39 ILE HG12 H . . . 1 1 39 39 ILE HA H . . . . . . . 4.3 . . . . . A . 39 ILE HG12 . . A . 39 ILE HA . . . 39 ILE HG12 . . . . . 39 ILE HA . . rr_1kwj 1 742 1 . . 1 1 39 39 ILE HG13 H . . . 1 1 39 39 ILE HA H . . . . . . . 4.5 . . . . . A . 39 ILE HG13 . . A . 39 ILE HA . . . 39 ILE HG13 . . . . . 39 ILE HA . . rr_1kwj 1 743 1 . . 1 1 39 39 ILE MD H . . . 1 1 39 39 ILE HA H . . . . . . . 3.8 . . . . . A . 39 ILE MD . . A . 39 ILE HA . . . 39 ILE QD1 . . . . . 39 ILE HA . . rr_1kwj 1 744 1 . . 1 1 39 39 ILE HA H . . . 1 1 40 40 ASP H H . . . . . . . 3.0 . . . . . A . 39 ILE HA . . A . 40 ASP H . . . 39 ILE HA . . . . . 40 ASP- HN . . rr_1kwj 1 745 1 . . 1 1 39 39 ILE HA H . . . 1 1 43 43 SER HB2 H . . . . . . . 5.5 . . . . . A . 39 ILE HA . . A . 43 SER HB2 . . . 39 ILE HA . . . . . 43 SER HB2 . . rr_1kwj 1 746 1 . . 1 1 39 39 ILE HA H . . . 1 1 44 44 ALA H H . . . . . . . 4.8 . . . . . A . 39 ILE HA . . A . 44 ALA H . . . 39 ILE HA . . . . . 44 ALA HN . . rr_1kwj 1 747 1 . . 1 1 39 39 ILE HA H . . . 1 1 44 44 ALA MB H . . . . . . . 6.5 . . . . . A . 39 ILE HA . . A . 44 ALA MB . . . 39 ILE HA . . . . . 44 ALA QB . . rr_1kwj 1 748 1 . . 1 1 39 39 ILE HA H . . . 1 1 48 48 ALA MB H . . . . . . . 6.5 . . . . . A . 39 ILE HA . . A . 48 ALA MB . . . 39 ILE HA . . . . . 48 ALA QB . . rr_1kwj 1 749 1 . . 1 1 39 39 ILE MG H . . . 1 1 39 39 ILE HB H . . . . . . . 3.7 . . . . . A . 39 ILE MG . . A . 39 ILE HB . . . 39 ILE QG2 . . . . . 39 ILE HB . . rr_1kwj 1 750 1 . . 1 1 39 39 ILE HB H . . . 1 1 39 39 ILE HG12 H . . . . . . . 2.7 . . . . . A . 39 ILE HB . . A . 39 ILE HG12 . . . 39 ILE HB . . . . . 39 ILE HG12 . . rr_1kwj 1 751 1 . . 1 1 39 39 ILE HB H . . . 1 1 39 39 ILE HG13 H . . . . . . . 2.8 . . . . . A . 39 ILE HB . . A . 39 ILE HG13 . . . 39 ILE HB . . . . . 39 ILE HG13 . . rr_1kwj 1 752 1 . . 1 1 39 39 ILE HB H . . . 1 1 39 39 ILE MD H . . . . . . . 4.8 . . . . . A . 39 ILE HB . . A . 39 ILE MD . . . 39 ILE HB . . . . . 39 ILE QD1 . . rr_1kwj 1 753 1 . . 1 1 39 39 ILE HB H . . . 1 1 40 40 ASP H H . . . . . . . 4.4 . . . . . A . 39 ILE HB . . A . 40 ASP H . . . 39 ILE HB . . . . . 40 ASP- HN . . rr_1kwj 1 754 1 . . 1 1 39 39 ILE HB H . . . 1 1 44 44 ALA MB H . . . . . . . 6.5 . . . . . A . 39 ILE HB . . A . 44 ALA MB . . . 39 ILE HB . . . . . 44 ALA QB . . rr_1kwj 1 755 1 . . 1 1 39 39 ILE MG H . . . 1 1 39 39 ILE HG12 H . . . . . . . 4.5 . . . . . A . 39 ILE MG . . A . 39 ILE HG12 . . . 39 ILE QG2 . . . . . 39 ILE HG12 . . rr_1kwj 1 756 1 . . 1 1 39 39 ILE MG H . . . 1 1 39 39 ILE HG13 H . . . . . . . 4.2 . . . . . A . 39 ILE MG . . A . 39 ILE HG13 . . . 39 ILE QG2 . . . . . 39 ILE HG13 . . rr_1kwj 1 757 1 . . 1 1 39 39 ILE MG H . . . 1 1 39 39 ILE MD H . . . . . . . 4.7 . . . . . A . 39 ILE MG . . A . 39 ILE MD . . . 39 ILE QG2 . . . . . 39 ILE QD1 . . rr_1kwj 1 758 1 . . 1 1 39 39 ILE MG H . . . 1 1 40 40 ASP H H . . . . . . . 5.5 . . . . . A . 39 ILE MG . . A . 40 ASP H . . . 39 ILE QG2 . . . . . 40 ASP- HN . . rr_1kwj 1 759 1 . . 1 1 39 39 ILE MG H . . . 1 1 40 40 ASP HA H . . . . . . . 6.3 . . . . . A . 39 ILE MG . . A . 40 ASP HA . . . 39 ILE QG2 . . . . . 40 ASP- HA . . rr_1kwj 1 760 1 . . 1 1 39 39 ILE MG H . . . 1 1 43 43 SER HB3 H . . . . . . . 6.5 . . . . . A . 39 ILE MG . . A . 43 SER HB3 . . . 39 ILE QG2 . . . . . 43 SER HB3 . . rr_1kwj 1 761 1 . . 1 1 39 39 ILE MG H . . . 1 1 44 44 ALA H H . . . . . . . 6.5 . . . . . A . 39 ILE MG . . A . 44 ALA H . . . 39 ILE QG2 . . . . . 44 ALA HN . . rr_1kwj 1 762 1 . . 1 1 39 39 ILE MG H . . . 1 1 44 44 ALA HA H . . . . . . . 6.5 . . . . . A . 39 ILE MG . . A . 44 ALA HA . . . 39 ILE QG2 . . . . . 44 ALA HA . . rr_1kwj 1 763 1 . . 1 1 39 39 ILE MG H . . . 1 1 44 44 ALA MB H . . . . . . . 6.2 . . . . . A . 39 ILE MG . . A . 44 ALA MB . . . 39 ILE QG2 . . . . . 44 ALA QB . . rr_1kwj 1 764 1 . . 1 1 39 39 ILE MG H . . . 1 1 48 48 ALA MB H . . . . . . . 7.5 . . . . . A . 39 ILE MG . . A . 48 ALA MB . . . 39 ILE QG2 . . . . . 48 ALA QB . . rr_1kwj 1 765 1 . . 1 1 39 39 ILE HG12 H . . . 1 1 39 39 ILE MD H . . . . . . . 3.8 . . . . . A . 39 ILE HG12 . . A . 39 ILE MD . . . 39 ILE HG12 . . . . . 39 ILE QD1 . . rr_1kwj 1 766 1 . . 1 1 39 39 ILE HG12 H . . . 1 1 40 40 ASP H H . . . . . . . 5.5 . . . . . A . 39 ILE HG12 . . A . 40 ASP H . . . 39 ILE HG12 . . . . . 40 ASP- HN . . rr_1kwj 1 767 1 . . 1 1 39 39 ILE HG13 H . . . 1 1 39 39 ILE MD H . . . . . . . 3.6 . . . . . A . 39 ILE HG13 . . A . 39 ILE MD . . . 39 ILE HG13 . . . . . 39 ILE QD1 . . rr_1kwj 1 768 1 . . 1 1 39 39 ILE HG13 H . . . 1 1 40 40 ASP H H . . . . . . . 5.5 . . . . . A . 39 ILE HG13 . . A . 40 ASP H . . . 39 ILE HG13 . . . . . 40 ASP- HN . . rr_1kwj 1 769 1 . . 1 1 39 39 ILE MD H . . . 1 1 40 40 ASP H H . . . . . . . 6.2 . . . . . A . 39 ILE MD . . A . 40 ASP H . . . 39 ILE QD1 . . . . . 40 ASP- HN . . rr_1kwj 1 770 1 . . 1 1 39 39 ILE MD H . . . 1 1 43 43 SER HB2 H . . . . . . . 6.5 . . . . . A . 39 ILE MD . . A . 43 SER HB2 . . . 39 ILE QD1 . . . . . 43 SER HB2 . . rr_1kwj 1 771 1 . . 1 1 39 39 ILE MD H . . . 1 1 43 43 SER HB3 H . . . . . . . 6.5 . . . . . A . 39 ILE MD . . A . 43 SER HB3 . . . 39 ILE QD1 . . . . . 43 SER HB3 . . rr_1kwj 1 772 1 . . 1 1 39 39 ILE MD H . . . 1 1 44 44 ALA H H . . . . . . . 6.5 . . . . . A . 39 ILE MD . . A . 44 ALA H . . . 39 ILE QD1 . . . . . 44 ALA HN . . rr_1kwj 1 773 1 . . 1 1 39 39 ILE MD H . . . 1 1 44 44 ALA HA H . . . . . . . 6.5 . . . . . A . 39 ILE MD . . A . 44 ALA HA . . . 39 ILE QD1 . . . . . 44 ALA HA . . rr_1kwj 1 774 1 . . 1 1 39 39 ILE MD H . . . 1 1 44 44 ALA MB H . . . . . . . 6.9 . . . . . A . 39 ILE MD . . A . 44 ALA MB . . . 39 ILE QD1 . . . . . 44 ALA QB . . rr_1kwj 1 775 1 . . 1 1 39 39 ILE MD H . . . 1 1 48 48 ALA H H . . . . . . . 6.5 . . . . . A . 39 ILE MD . . A . 48 ALA H . . . 39 ILE QD1 . . . . . 48 ALA HN . . rr_1kwj 1 776 1 . . 1 1 39 39 ILE MD H . . . 1 1 48 48 ALA MB H . . . . . . . 5.5 . . . . . A . 39 ILE MD . . A . 48 ALA MB . . . 39 ILE QD1 . . . . . 48 ALA QB . . rr_1kwj 1 777 1 . . 1 1 40 40 ASP H H . . . 1 1 40 40 ASP HA H . . . . . . . 3.7 . . . . . A . 40 ASP H . . A . 40 ASP HA . . . 40 ASP- HN . . . . . 40 ASP- HA . . rr_1kwj 1 778 1 . . 1 1 40 40 ASP H H . . . 1 1 40 40 ASP HB2 H . . . . . . . 4.6 . . . . . A . 40 ASP H . . A . 40 ASP HB2 . . . 40 ASP- HN . . . . . 40 ASP- HB2 . . rr_1kwj 1 779 1 . . 1 1 40 40 ASP H H . . . 1 1 40 40 ASP HB3 H . . . . . . . 4.9 . . . . . A . 40 ASP H . . A . 40 ASP HB3 . . . 40 ASP- HN . . . . . 40 ASP- HB3 . . rr_1kwj 1 780 1 . . 1 1 40 40 ASP H H . . . 1 1 43 43 SER H H . . . . . . . 5.2 . . . . . A . 40 ASP H . . A . 43 SER H . . . 40 ASP- HN . . . . . 43 SER HN . . rr_1kwj 1 781 1 . . 1 1 40 40 ASP H H . . . 1 1 43 43 SER HB2 H . . . . . . . 5.5 . . . . . A . 40 ASP H . . A . 43 SER HB2 . . . 40 ASP- HN . . . . . 43 SER HB2 . . rr_1kwj 1 782 1 . . 1 1 40 40 ASP H H . . . 1 1 44 44 ALA H H . . . . . . . 4.5 . . . . . A . 40 ASP H . . A . 44 ALA H . . . 40 ASP- HN . . . . . 44 ALA HN . . rr_1kwj 1 783 1 . . 1 1 40 40 ASP H H . . . 1 1 44 44 ALA MB H . . . . . . . 5.3 . . . . . A . 40 ASP H . . A . 44 ALA MB . . . 40 ASP- HN . . . . . 44 ALA QB . . rr_1kwj 1 784 1 . . 1 1 48 48 ALA MB H . . . 1 1 40 40 ASP H H . . . . . . . 6.5 . . . . . A . 48 ALA MB . . A . 40 ASP H . . . 48 ALA QB . . . . . 40 ASP- HN . . rr_1kwj 1 785 1 . . 1 1 40 40 ASP HA H . . . 1 1 40 40 ASP HB2 H . . . . . . . 3.2 . . . . . A . 40 ASP HA . . A . 40 ASP HB2 . . . 40 ASP- HA . . . . . 40 ASP- HB2 . . rr_1kwj 1 786 1 . . 1 1 40 40 ASP HA H . . . 1 1 40 40 ASP HB3 H . . . . . . . 3.2 . . . . . A . 40 ASP HA . . A . 40 ASP HB3 . . . 40 ASP- HA . . . . . 40 ASP- HB3 . . rr_1kwj 1 787 1 . . 1 1 40 40 ASP HA H . . . 1 1 41 41 LYS H H . . . . . . . 3.1 . . . . . A . 40 ASP HA . . A . 41 LYS H . . . 40 ASP- HA . . . . . 41 LYS+ HN . . rr_1kwj 1 788 1 OR . 1 1 40 40 ASP HA H . . . 1 1 41 41 LYS HG2 H . . . . . . . 6.5 . . . . . A . 40 ASP HA . . A . 41 LYS HG2 . . . 40 ASP- HA . . . . . 41 LYS+ QG . . rr_1kwj 1 788 2 OR . 1 1 40 40 ASP HA H . . . 1 1 41 41 LYS HG3 H . . . . . . . 6.5 . . . . . A . 40 ASP HA . . A . 41 LYS HG3 . . . 40 ASP- HA . . . . . 41 LYS+ QG . . rr_1kwj 1 789 1 . . 1 1 40 40 ASP HB2 H . . . 1 1 41 41 LYS H H . . . . . . . 3.3 . . . . . A . 40 ASP HB2 . . A . 41 LYS H . . . 40 ASP- HB2 . . . . . 41 LYS+ HN . . rr_1kwj 1 790 1 . . 1 1 40 40 ASP HB2 H . . . 1 1 42 42 LYS H H . . . . . . . 5.0 . . . . . A . 40 ASP HB2 . . A . 42 LYS H . . . 40 ASP- HB2 . . . . . 42 LYS+ HN . . rr_1kwj 1 791 1 . . 1 1 40 40 ASP HB3 H . . . 1 1 41 41 LYS H H . . . . . . . 3.7 . . . . . A . 40 ASP HB3 . . A . 41 LYS H . . . 40 ASP- HB3 . . . . . 41 LYS+ HN . . rr_1kwj 1 792 1 . . 1 1 40 40 ASP HB3 H . . . 1 1 42 42 LYS H H . . . . . . . 5.5 . . . . . A . 40 ASP HB3 . . A . 42 LYS H . . . 40 ASP- HB3 . . . . . 42 LYS+ HN . . rr_1kwj 1 793 1 . . 1 1 41 41 LYS H H . . . 1 1 41 41 LYS HA H . . . . . . . 4.0 . . . . . A . 41 LYS H . . A . 41 LYS HA . . . 41 LYS+ HN . . . . . 41 LYS+ HA . . rr_1kwj 1 794 1 OR . 1 1 41 41 LYS H H . . . 1 1 41 41 LYS HB2 H . . . . . . . 4.4 . . . . . A . 41 LYS H . . A . 41 LYS HB2 . . . 41 LYS+ HN . . . . . 41 LYS+ QB . . rr_1kwj 1 794 2 OR . 1 1 41 41 LYS H H . . . 1 1 41 41 LYS HB3 H . . . . . . . 4.4 . . . . . A . 41 LYS H . . A . 41 LYS HB3 . . . 41 LYS+ HN . . . . . 41 LYS+ QB . . rr_1kwj 1 795 1 OR . 1 1 41 41 LYS H H . . . 1 1 41 41 LYS HG2 H . . . . . . . 4.9 . . . . . A . 41 LYS H . . A . 41 LYS HG2 . . . 41 LYS+ HN . . . . . 41 LYS+ QG . . rr_1kwj 1 795 2 OR . 1 1 41 41 LYS H H . . . 1 1 41 41 LYS HG3 H . . . . . . . 4.9 . . . . . A . 41 LYS H . . A . 41 LYS HG3 . . . 41 LYS+ HN . . . . . 41 LYS+ QG . . rr_1kwj 1 796 1 . . 1 1 41 41 LYS H H . . . 1 1 42 42 LYS H H . . . . . . . 4.0 . . . . . A . 41 LYS H . . A . 42 LYS H . . . 41 LYS+ HN . . . . . 42 LYS+ HN . . rr_1kwj 1 797 1 OR . 1 1 41 41 LYS HA H . . . 1 1 41 41 LYS HB2 H . . . . . . . 4.3 . . . . . A . 41 LYS HA . . A . 41 LYS HB2 . . . 41 LYS+ HA . . . . . 41 LYS+ QB . . rr_1kwj 1 797 2 OR . 1 1 41 41 LYS HA H . . . 1 1 41 41 LYS HB3 H . . . . . . . 4.3 . . . . . A . 41 LYS HA . . A . 41 LYS HB3 . . . 41 LYS+ HA . . . . . 41 LYS+ QB . . rr_1kwj 1 798 1 OR . 1 1 41 41 LYS HA H . . . 1 1 41 41 LYS HG2 H . . . . . . . 5.1 . . . . . A . 41 LYS HA . . A . 41 LYS HG2 . . . 41 LYS+ HA . . . . . 41 LYS+ QG . . rr_1kwj 1 798 2 OR . 1 1 41 41 LYS HG3 H . . . 1 1 41 41 LYS HA H . . . . . . . 5.1 . . . . . A . 41 LYS HG3 . . A . 41 LYS HA . . . 41 LYS+ QG . . . . . 41 LYS+ HA . . rr_1kwj 1 799 1 . . 1 1 42 42 LYS H H . . . 1 1 41 41 LYS HA H . . . . . . . 4.9 . . . . . A . 42 LYS H . . A . 41 LYS HA . . . 42 LYS+ HN . . . . . 41 LYS+ HA . . rr_1kwj 1 800 1 . . 1 1 44 44 ALA MB H . . . 1 1 41 41 LYS HA H . . . . . . . 4.9 . . . . . A . 44 ALA MB . . A . 41 LYS HA . . . 44 ALA QB . . . . . 41 LYS+ HA . . rr_1kwj 1 801 1 OR . 1 1 41 41 LYS HB3 H . . . 1 1 41 41 LYS HG2 H . . . . . . . 5.4 . . . . . A . 41 LYS HB3 . . A . 41 LYS HG2 . . . 41 LYS+ QB . . . . . 41 LYS+ QG . . rr_1kwj 1 801 2 OR . 1 1 41 41 LYS HB2 H . . . 1 1 41 41 LYS HG2 H . . . . . . . 5.4 . . . . . A . 41 LYS HB2 . . A . 41 LYS HG2 . . . 41 LYS+ QB . . . . . 41 LYS+ QG . . rr_1kwj 1 801 3 OR . 1 1 41 41 LYS HG3 H . . . 1 1 41 41 LYS HB2 H . . . . . . . 5.4 . . . . . A . 41 LYS HG3 . . A . 41 LYS HB2 . . . 41 LYS+ QG . . . . . 41 LYS+ QB . . rr_1kwj 1 801 4 OR . 1 1 41 41 LYS HG3 H . . . 1 1 41 41 LYS HB3 H . . . . . . . 5.4 . . . . . A . 41 LYS HG3 . . A . 41 LYS HB3 . . . 41 LYS+ QG . . . . . 41 LYS+ QB . . rr_1kwj 1 802 1 OR . 1 1 42 42 LYS H H . . . 1 1 41 41 LYS HB2 H . . . . . . . 5.0 . . . . . A . 42 LYS H . . A . 41 LYS HB2 . . . 42 LYS+ HN . . . . . 41 LYS+ QB . . rr_1kwj 1 802 2 OR . 1 1 42 42 LYS H H . . . 1 1 41 41 LYS HB3 H . . . . . . . 5.0 . . . . . A . 42 LYS H . . A . 41 LYS HB3 . . . 42 LYS+ HN . . . . . 41 LYS+ QB . . rr_1kwj 1 803 1 OR . 1 1 44 44 ALA H H . . . 1 1 41 41 LYS HB2 H . . . . . . . 6.5 . . . . . A . 44 ALA H . . A . 41 LYS HB2 . . . 44 ALA HN . . . . . 41 LYS+ QB . . rr_1kwj 1 803 2 OR . 1 1 44 44 ALA H H . . . 1 1 41 41 LYS HB3 H . . . . . . . 6.5 . . . . . A . 44 ALA H . . A . 41 LYS HB3 . . . 44 ALA HN . . . . . 41 LYS+ QB . . rr_1kwj 1 804 1 OR . 1 1 42 42 LYS H H . . . 1 1 41 41 LYS HG2 H . . . . . . . 6.1 . . . . . A . 42 LYS H . . A . 41 LYS HG2 . . . 42 LYS+ HN . . . . . 41 LYS+ QG . . rr_1kwj 1 804 2 OR . 1 1 41 41 LYS HG3 H . . . 1 1 42 42 LYS H H . . . . . . . 6.1 . . . . . A . 41 LYS HG3 . . A . 42 LYS H . . . 41 LYS+ QG . . . . . 42 LYS+ HN . . rr_1kwj 1 805 1 . . 1 1 42 42 LYS H H . . . 1 1 42 42 LYS HA H . . . . . . . 3.6 . . . . . A . 42 LYS H . . A . 42 LYS HA . . . 42 LYS+ HN . . . . . 42 LYS+ HA . . rr_1kwj 1 806 1 OR . 1 1 42 42 LYS H H . . . 1 1 42 42 LYS HB2 H . . . . . . . 3.8 . . . . . A . 42 LYS H . . A . 42 LYS HB2 . . . 42 LYS+ HN . . . . . 42 LYS+ QB . . rr_1kwj 1 806 2 OR . 1 1 42 42 LYS H H . . . 1 1 42 42 LYS HB3 H . . . . . . . 3.8 . . . . . A . 42 LYS H . . A . 42 LYS HB3 . . . 42 LYS+ HN . . . . . 42 LYS+ QB . . rr_1kwj 1 807 1 OR . 1 1 42 42 LYS H H . . . 1 1 42 42 LYS HG2 H . . . . . . . 4.8 . . . . . A . 42 LYS H . . A . 42 LYS HG2 . . . 42 LYS+ HN . . . . . 42 LYS+ QG . . rr_1kwj 1 807 2 OR . 1 1 42 42 LYS H H . . . 1 1 42 42 LYS HG3 H . . . . . . . 4.8 . . . . . A . 42 LYS H . . A . 42 LYS HG3 . . . 42 LYS+ HN . . . . . 42 LYS+ QG . . rr_1kwj 1 808 1 . . 1 1 43 43 SER H H . . . 1 1 42 42 LYS H H . . . . . . . 3.4 . . . . . A . 43 SER H . . A . 42 LYS H . . . 43 SER HN . . . . . 42 LYS+ HN . . rr_1kwj 1 809 1 . . 1 1 42 42 LYS H H . . . 1 1 43 43 SER HA H . . . . . . . 5.0 . . . . . A . 42 LYS H . . A . 43 SER HA . . . 42 LYS+ HN . . . . . 43 SER HA . . rr_1kwj 1 810 1 . . 1 1 44 44 ALA H H . . . 1 1 42 42 LYS H H . . . . . . . 5.5 . . . . . A . 44 ALA H . . A . 42 LYS H . . . 44 ALA HN . . . . . 42 LYS+ HN . . rr_1kwj 1 811 1 OR . 1 1 42 42 LYS HA H . . . 1 1 42 42 LYS HB2 H . . . . . . . 4.4 . . . . . A . 42 LYS HA . . A . 42 LYS HB2 . . . 42 LYS+ HA . . . . . 42 LYS+ QB . . rr_1kwj 1 811 2 OR . 1 1 42 42 LYS HA H . . . 1 1 42 42 LYS HB3 H . . . . . . . 4.4 . . . . . A . 42 LYS HA . . A . 42 LYS HB3 . . . 42 LYS+ HA . . . . . 42 LYS+ QB . . rr_1kwj 1 812 1 OR . 1 1 42 42 LYS HA H . . . 1 1 42 42 LYS HG2 H . . . . . . . 4.5 . . . . . A . 42 LYS HA . . A . 42 LYS HG2 . . . 42 LYS+ HA . . . . . 42 LYS+ QG . . rr_1kwj 1 812 2 OR . 1 1 42 42 LYS HA H . . . 1 1 42 42 LYS HG3 H . . . . . . . 4.5 . . . . . A . 42 LYS HA . . A . 42 LYS HG3 . . . 42 LYS+ HA . . . . . 42 LYS+ QG . . rr_1kwj 1 813 1 . . 1 1 43 43 SER H H . . . 1 1 42 42 LYS HA H . . . . . . . 4.6 . . . . . A . 43 SER H . . A . 42 LYS HA . . . 43 SER HN . . . . . 42 LYS+ HA . . rr_1kwj 1 814 1 . . 1 1 44 44 ALA H H . . . 1 1 42 42 LYS HA H . . . . . . . 5.5 . . . . . A . 44 ALA H . . A . 42 LYS HA . . . 44 ALA HN . . . . . 42 LYS+ HA . . rr_1kwj 1 815 1 . . 1 1 42 42 LYS HA H . . . 1 1 45 45 HIS H H . . . . . . . 5.5 . . . . . A . 42 LYS HA . . A . 45 HIS H . . . 42 LYS+ HA . . . . . 45 HIS HN . . rr_1kwj 1 816 1 . . 1 1 42 42 LYS HA H . . . 1 1 45 45 HIS HB2 H . . . . . . . 4.9 . . . . . A . 42 LYS HA . . A . 45 HIS HB2 . . . 42 LYS+ HA . . . . . 45 HIS HB2 . . rr_1kwj 1 817 1 . . 1 1 42 42 LYS HA H . . . 1 1 45 45 HIS HB3 H . . . . . . . 5.5 . . . . . A . 42 LYS HA . . A . 45 HIS HB3 . . . 42 LYS+ HA . . . . . 45 HIS HB3 . . rr_1kwj 1 818 1 OR . 1 1 42 42 LYS HB3 H . . . 1 1 42 42 LYS HG2 H . . . . . . . 5.3 . . . . . A . 42 LYS HB3 . . A . 42 LYS HG2 . . . 42 LYS+ QB . . . . . 42 LYS+ QG . . rr_1kwj 1 818 2 OR . 1 1 42 42 LYS HB2 H . . . 1 1 42 42 LYS HG2 H . . . . . . . 5.3 . . . . . A . 42 LYS HB2 . . A . 42 LYS HG2 . . . 42 LYS+ QB . . . . . 42 LYS+ QG . . rr_1kwj 1 818 3 OR . 1 1 42 42 LYS HG3 H . . . 1 1 42 42 LYS HB2 H . . . . . . . 5.3 . . . . . A . 42 LYS HG3 . . A . 42 LYS HB2 . . . 42 LYS+ QG . . . . . 42 LYS+ QB . . rr_1kwj 1 818 4 OR . 1 1 42 42 LYS HB3 H . . . 1 1 42 42 LYS HG3 H . . . . . . . 5.3 . . . . . A . 42 LYS HB3 . . A . 42 LYS HG3 . . . 42 LYS+ QB . . . . . 42 LYS+ QG . . rr_1kwj 1 819 1 OR . 1 1 43 43 SER H H . . . 1 1 42 42 LYS HB2 H . . . . . . . 4.9 . . . . . A . 43 SER H . . A . 42 LYS HB2 . . . 43 SER HN . . . . . 42 LYS+ QB . . rr_1kwj 1 819 2 OR . 1 1 43 43 SER H H . . . 1 1 42 42 LYS HB3 H . . . . . . . 4.9 . . . . . A . 43 SER H . . A . 42 LYS HB3 . . . 43 SER HN . . . . . 42 LYS+ QB . . rr_1kwj 1 820 1 OR . 1 1 42 42 LYS HD2 H . . . 1 1 42 42 LYS HG2 H . . . . . . . 4.4 . . . . . A . 42 LYS HD2 . . A . 42 LYS HG2 . . . 42 LYS+ HD2 . . . . . 42 LYS+ QG . . rr_1kwj 1 820 2 OR . 1 1 42 42 LYS HG3 H . . . 1 1 42 42 LYS HD2 H . . . . . . . 4.4 . . . . . A . 42 LYS HG3 . . A . 42 LYS HD2 . . . 42 LYS+ QG . . . . . 42 LYS+ HD2 . . rr_1kwj 1 821 1 OR . 1 1 43 43 SER H H . . . 1 1 42 42 LYS HG2 H . . . . . . . 6.5 . . . . . A . 43 SER H . . A . 42 LYS HG2 . . . 43 SER HN . . . . . 42 LYS+ QG . . rr_1kwj 1 821 2 OR . 1 1 43 43 SER H H . . . 1 1 42 42 LYS HG3 H . . . . . . . 6.5 . . . . . A . 43 SER H . . A . 42 LYS HG3 . . . 43 SER HN . . . . . 42 LYS+ QG . . rr_1kwj 1 822 1 . . 1 1 43 43 SER H H . . . 1 1 43 43 SER HA H . . . . . . . 3.9 . . . . . A . 43 SER H . . A . 43 SER HA . . . 43 SER HN . . . . . 43 SER HA . . rr_1kwj 1 823 1 . . 1 1 43 43 SER HB2 H . . . 1 1 43 43 SER H H . . . . . . . 3.7 . . . . . A . 43 SER HB2 . . A . 43 SER H . . . 43 SER HB2 . . . . . 43 SER HN . . rr_1kwj 1 824 1 . . 1 1 43 43 SER HB3 H . . . 1 1 43 43 SER H H . . . . . . . 4.1 . . . . . A . 43 SER HB3 . . A . 43 SER H . . . 43 SER HB3 . . . . . 43 SER HN . . rr_1kwj 1 825 1 . . 1 1 44 44 ALA H H . . . 1 1 43 43 SER H H . . . . . . . 2.9 . . . . . A . 44 ALA H . . A . 43 SER H . . . 44 ALA HN . . . . . 43 SER HN . . rr_1kwj 1 826 1 . . 1 1 43 43 SER HB2 H . . . 1 1 43 43 SER HA H . . . . . . . 4.3 . . . . . A . 43 SER HB2 . . A . 43 SER HA . . . 43 SER HB2 . . . . . 43 SER HA . . rr_1kwj 1 827 1 . . 1 1 43 43 SER HB3 H . . . 1 1 43 43 SER HA H . . . . . . . 4.5 . . . . . A . 43 SER HB3 . . A . 43 SER HA . . . 43 SER HB3 . . . . . 43 SER HA . . rr_1kwj 1 828 1 . . 1 1 44 44 ALA H H . . . 1 1 43 43 SER HA H . . . . . . . 4.5 . . . . . A . 44 ALA H . . A . 43 SER HA . . . 44 ALA HN . . . . . 43 SER HA . . rr_1kwj 1 829 1 . . 1 1 43 43 SER HA H . . . 1 1 46 46 LYS H H . . . . . . . 4.6 . . . . . A . 43 SER HA . . A . 46 LYS H . . . 43 SER HA . . . . . 46 LYS+ HN . . rr_1kwj 1 830 1 . . 1 1 43 43 SER HA H . . . 1 1 47 47 ASP H H . . . . . . . 5.1 . . . . . A . 43 SER HA . . A . 47 ASP H . . . 43 SER HA . . . . . 47 ASP- HN . . rr_1kwj 1 831 1 . . 1 1 48 48 ALA H H . . . 1 1 43 43 SER HA H . . . . . . . 4.0 . . . . . A . 48 ALA H . . A . 43 SER HA . . . 48 ALA HN . . . . . 43 SER HA . . rr_1kwj 1 832 1 . . 1 1 43 43 SER HB2 H . . . 1 1 44 44 ALA H H . . . . . . . 4.7 . . . . . A . 43 SER HB2 . . A . 44 ALA H . . . 43 SER HB2 . . . . . 44 ALA HN . . rr_1kwj 1 833 1 . . 1 1 43 43 SER HB2 H . . . 1 1 48 48 ALA H H . . . . . . . 5.5 . . . . . A . 43 SER HB2 . . A . 48 ALA H . . . 43 SER HB2 . . . . . 48 ALA HN . . rr_1kwj 1 834 1 . . 1 1 48 48 ALA MB H . . . 1 1 43 43 SER HB2 H . . . . . . . 5.6 . . . . . A . 48 ALA MB . . A . 43 SER HB2 . . . 48 ALA QB . . . . . 43 SER HB2 . . rr_1kwj 1 835 1 . . 1 1 43 43 SER HB3 H . . . 1 1 44 44 ALA H H . . . . . . . 4.8 . . . . . A . 43 SER HB3 . . A . 44 ALA H . . . 43 SER HB3 . . . . . 44 ALA HN . . rr_1kwj 1 836 1 . . 1 1 43 43 SER HB3 H . . . 1 1 48 48 ALA H H . . . . . . . 4.7 . . . . . A . 43 SER HB3 . . A . 48 ALA H . . . 43 SER HB3 . . . . . 48 ALA HN . . rr_1kwj 1 837 1 . . 1 1 48 48 ALA MB H . . . 1 1 43 43 SER HB3 H . . . . . . . 4.8 . . . . . A . 48 ALA MB . . A . 43 SER HB3 . . . 48 ALA QB . . . . . 43 SER HB3 . . rr_1kwj 1 838 1 . . 1 1 44 44 ALA H H . . . 1 1 44 44 ALA HA H . . . . . . . 3.7 . . . . . A . 44 ALA H . . A . 44 ALA HA . . . 44 ALA HN . . . . . 44 ALA HA . . rr_1kwj 1 839 1 . . 1 1 44 44 ALA H H . . . 1 1 44 44 ALA MB H . . . . . . . 3.3 . . . . . A . 44 ALA H . . A . 44 ALA MB . . . 44 ALA HN . . . . . 44 ALA QB . . rr_1kwj 1 840 1 . . 1 1 44 44 ALA H H . . . 1 1 45 45 HIS H H . . . . . . . 3.9 . . . . . A . 44 ALA H . . A . 45 HIS H . . . 44 ALA HN . . . . . 45 HIS HN . . rr_1kwj 1 841 1 . . 1 1 48 48 ALA MB H . . . 1 1 44 44 ALA H H . . . . . . . 4.9 . . . . . A . 48 ALA MB . . A . 44 ALA H . . . 48 ALA QB . . . . . 44 ALA HN . . rr_1kwj 1 842 1 . . 1 1 44 44 ALA MB H . . . 1 1 44 44 ALA HA H . . . . . . . 3.3 . . . . . A . 44 ALA MB . . A . 44 ALA HA . . . 44 ALA QB . . . . . 44 ALA HA . . rr_1kwj 1 843 1 . . 1 1 44 44 ALA HA H . . . 1 1 45 45 HIS H H . . . . . . . 4.8 . . . . . A . 44 ALA HA . . A . 45 HIS H . . . 44 ALA HA . . . . . 45 HIS HN . . rr_1kwj 1 844 1 . . 1 1 48 48 ALA MB H . . . 1 1 44 44 ALA HA H . . . . . . . 3.6 . . . . . A . 48 ALA MB . . A . 44 ALA HA . . . 48 ALA QB . . . . . 44 ALA HA . . rr_1kwj 1 845 1 . . 1 1 44 44 ALA HA H . . . 1 1 50 50 LYS HG3 H . . . . . . . 5.5 . . . . . A . 44 ALA HA . . A . 50 LYS HG3 . . . 44 ALA HA . . . . . 50 LYS+ HG3 . . rr_1kwj 1 846 1 . . 1 1 44 44 ALA MB H . . . 1 1 45 45 HIS H H . . . . . . . 4.1 . . . . . A . 44 ALA MB . . A . 45 HIS H . . . 44 ALA QB . . . . . 45 HIS HN . . rr_1kwj 1 847 1 . . 1 1 44 44 ALA MB H . . . 1 1 45 45 HIS HB2 H . . . . . . . 6.5 . . . . . A . 44 ALA MB . . A . 45 HIS HB2 . . . 44 ALA QB . . . . . 45 HIS HB2 . . rr_1kwj 1 848 1 . . 1 1 44 44 ALA MB H . . . 1 1 45 45 HIS HB3 H . . . . . . . 6.5 . . . . . A . 44 ALA MB . . A . 45 HIS HB3 . . . 44 ALA QB . . . . . 45 HIS HB3 . . rr_1kwj 1 849 1 . . 1 1 48 48 ALA MB H . . . 1 1 44 44 ALA MB H . . . . . . . 7.5 . . . . . A . 48 ALA MB . . A . 44 ALA MB . . . 48 ALA QB . . . . . 44 ALA QB . . rr_1kwj 1 850 1 . . 1 1 44 44 ALA MB H . . . 1 1 50 50 LYS H H . . . . . . . 6.5 . . . . . A . 44 ALA MB . . A . 50 LYS H . . . 44 ALA QB . . . . . 50 LYS+ HN . . rr_1kwj 1 851 1 . . 1 1 45 45 HIS H H . . . 1 1 45 45 HIS HA H . . . . . . . 3.8 . . . . . A . 45 HIS H . . A . 45 HIS HA . . . 45 HIS HN . . . . . 45 HIS HA . . rr_1kwj 1 852 1 . . 1 1 45 45 HIS H H . . . 1 1 45 45 HIS HB2 H . . . . . . . 3.7 . . . . . A . 45 HIS H . . A . 45 HIS HB2 . . . 45 HIS HN . . . . . 45 HIS HB2 . . rr_1kwj 1 853 1 . . 1 1 45 45 HIS H H . . . 1 1 45 45 HIS HB3 H . . . . . . . 4.0 . . . . . A . 45 HIS H . . A . 45 HIS HB3 . . . 45 HIS HN . . . . . 45 HIS HB3 . . rr_1kwj 1 854 1 . . 1 1 45 45 HIS H H . . . 1 1 46 46 LYS H H . . . . . . . 3.4 . . . . . A . 45 HIS H . . A . 46 LYS H . . . 45 HIS HN . . . . . 46 LYS+ HN . . rr_1kwj 1 855 1 . . 1 1 48 48 ALA MB H . . . 1 1 45 45 HIS H H . . . . . . . 6.5 . . . . . A . 48 ALA MB . . A . 45 HIS H . . . 48 ALA QB . . . . . 45 HIS HN . . rr_1kwj 1 856 1 . . 1 1 45 45 HIS HB2 H . . . 1 1 45 45 HIS HA H . . . . . . . 4.4 . . . . . A . 45 HIS HB2 . . A . 45 HIS HA . . . 45 HIS HB2 . . . . . 45 HIS HA . . rr_1kwj 1 857 1 . . 1 1 45 45 HIS HB3 H . . . 1 1 45 45 HIS HA H . . . . . . . 4.0 . . . . . A . 45 HIS HB3 . . A . 45 HIS HA . . . 45 HIS HB3 . . . . . 45 HIS HA . . rr_1kwj 1 858 1 . . 1 1 46 46 LYS H H . . . 1 1 45 45 HIS HA H . . . . . . . 4.3 . . . . . A . 46 LYS H . . A . 45 HIS HA . . . 46 LYS+ HN . . . . . 45 HIS HA . . rr_1kwj 1 859 1 . . 1 1 50 50 LYS H H . . . 1 1 45 45 HIS HA H . . . . . . . 4.9 . . . . . A . 50 LYS H . . A . 45 HIS HA . . . 50 LYS+ HN . . . . . 45 HIS HA . . rr_1kwj 1 860 1 . . 1 1 45 45 HIS HA H . . . 1 1 50 50 LYS HB2 H . . . . . . . 4.6 . . . . . A . 45 HIS HA . . A . 50 LYS HB2 . . . 45 HIS HA . . . . . 50 LYS+ HB2 . . rr_1kwj 1 861 1 . . 1 1 45 45 HIS HA H . . . 1 1 50 50 LYS HB3 H . . . . . . . 5.1 . . . . . A . 45 HIS HA . . A . 50 LYS HB3 . . . 45 HIS HA . . . . . 50 LYS+ HB3 . . rr_1kwj 1 862 1 . . 1 1 45 45 HIS HA H . . . 1 1 50 50 LYS HG2 H . . . . . . . 5.5 . . . . . A . 45 HIS HA . . A . 50 LYS HG2 . . . 45 HIS HA . . . . . 50 LYS+ HG2 . . rr_1kwj 1 863 1 . . 1 1 45 45 HIS HB2 H . . . 1 1 46 46 LYS H H . . . . . . . 4.6 . . . . . A . 45 HIS HB2 . . A . 46 LYS H . . . 45 HIS HB2 . . . . . 46 LYS+ HN . . rr_1kwj 1 864 1 . . 1 1 45 45 HIS HB3 H . . . 1 1 46 46 LYS H H . . . . . . . 5.2 . . . . . A . 45 HIS HB3 . . A . 46 LYS H . . . 45 HIS HB3 . . . . . 46 LYS+ HN . . rr_1kwj 1 865 1 . . 1 1 46 46 LYS H H . . . 1 1 46 46 LYS HA H . . . . . . . 3.8 . . . . . A . 46 LYS H . . A . 46 LYS HA . . . 46 LYS+ HN . . . . . 46 LYS+ HA . . rr_1kwj 1 866 1 . . 1 1 46 46 LYS H H . . . 1 1 46 46 LYS HB2 H . . . . . . . 3.9 . . . . . A . 46 LYS H . . A . 46 LYS HB2 . . . 46 LYS+ HN . . . . . 46 LYS+ HB2 . . rr_1kwj 1 867 1 . . 1 1 46 46 LYS H H . . . 1 1 46 46 LYS HB3 H . . . . . . . 4.0 . . . . . A . 46 LYS H . . A . 46 LYS HB3 . . . 46 LYS+ HN . . . . . 46 LYS+ HB3 . . rr_1kwj 1 868 1 . . 1 1 46 46 LYS H H . . . 1 1 46 46 LYS HG2 H . . . . . . . 5.5 . . . . . A . 46 LYS H . . A . 46 LYS HG2 . . . 46 LYS+ HN . . . . . 46 LYS+ HG2 . . rr_1kwj 1 869 1 . . 1 1 46 46 LYS H H . . . 1 1 46 46 LYS HG3 H . . . . . . . 4.0 . . . . . A . 46 LYS H . . A . 46 LYS HG3 . . . 46 LYS+ HN . . . . . 46 LYS+ HG3 . . rr_1kwj 1 870 1 . . 1 1 46 46 LYS H H . . . 1 1 47 47 ASP H H . . . . . . . 4.4 . . . . . A . 46 LYS H . . A . 47 ASP H . . . 46 LYS+ HN . . . . . 47 ASP- HN . . rr_1kwj 1 871 1 . . 1 1 48 48 ALA H H . . . 1 1 46 46 LYS H H . . . . . . . 4.6 . . . . . A . 48 ALA H . . A . 46 LYS H . . . 48 ALA HN . . . . . 46 LYS+ HN . . rr_1kwj 1 872 1 . . 1 1 48 48 ALA MB H . . . 1 1 46 46 LYS H H . . . . . . . 5.8 . . . . . A . 48 ALA MB . . A . 46 LYS H . . . 48 ALA QB . . . . . 46 LYS+ HN . . rr_1kwj 1 873 1 . . 1 1 46 46 LYS H H . . . 1 1 50 50 LYS H H . . . . . . . 5.5 . . . . . A . 46 LYS H . . A . 50 LYS H . . . 46 LYS+ HN . . . . . 50 LYS+ HN . . rr_1kwj 1 874 1 . . 1 1 46 46 LYS H H . . . 1 1 50 50 LYS HB3 H . . . . . . . 5.5 . . . . . A . 46 LYS H . . A . 50 LYS HB3 . . . 46 LYS+ HN . . . . . 50 LYS+ HB3 . . rr_1kwj 1 875 1 . . 1 1 46 46 LYS HA H . . . 1 1 46 46 LYS HB2 H . . . . . . . 3.4 . . . . . A . 46 LYS HA . . A . 46 LYS HB2 . . . 46 LYS+ HA . . . . . 46 LYS+ HB2 . . rr_1kwj 1 876 1 . . 1 1 46 46 LYS HA H . . . 1 1 46 46 LYS HB3 H . . . . . . . 3.6 . . . . . A . 46 LYS HA . . A . 46 LYS HB3 . . . 46 LYS+ HA . . . . . 46 LYS+ HB3 . . rr_1kwj 1 877 1 . . 1 1 46 46 LYS HA H . . . 1 1 46 46 LYS HG2 H . . . . . . . 3.0 . . . . . A . 46 LYS HA . . A . 46 LYS HG2 . . . 46 LYS+ HA . . . . . 46 LYS+ HG2 . . rr_1kwj 1 878 1 . . 1 1 46 46 LYS HA H . . . 1 1 46 46 LYS HG3 H . . . . . . . 3.7 . . . . . A . 46 LYS HA . . A . 46 LYS HG3 . . . 46 LYS+ HA . . . . . 46 LYS+ HG3 . . rr_1kwj 1 879 1 . . 1 1 47 47 ASP H H . . . 1 1 46 46 LYS HA H . . . . . . . 4.5 . . . . . A . 47 ASP H . . A . 46 LYS HA . . . 47 ASP- HN . . . . . 46 LYS+ HA . . rr_1kwj 1 880 1 . . 1 1 46 46 LYS HA H . . . 1 1 47 47 ASP HA H . . . . . . . 4.7 . . . . . A . 46 LYS HA . . A . 47 ASP HA . . . 46 LYS+ HA . . . . . 47 ASP- HA . . rr_1kwj 1 881 1 . . 1 1 46 46 LYS HB2 H . . . 1 1 46 46 LYS HG2 H . . . . . . . 3.3 . . . . . A . 46 LYS HB2 . . A . 46 LYS HG2 . . . 46 LYS+ HB2 . . . . . 46 LYS+ HG2 . . rr_1kwj 1 882 1 . . 1 1 46 46 LYS HB2 H . . . 1 1 46 46 LYS HG3 H . . . . . . . 3.9 . . . . . A . 46 LYS HB2 . . A . 46 LYS HG3 . . . 46 LYS+ HB2 . . . . . 46 LYS+ HG3 . . rr_1kwj 1 883 1 . . 1 1 47 47 ASP H H . . . 1 1 46 46 LYS HB2 H . . . . . . . 3.4 . . . . . A . 47 ASP H . . A . 46 LYS HB2 . . . 47 ASP- HN . . . . . 46 LYS+ HB2 . . rr_1kwj 1 884 1 . . 1 1 46 46 LYS HB3 H . . . 1 1 46 46 LYS HG2 H . . . . . . . 2.9 . . . . . A . 46 LYS HB3 . . A . 46 LYS HG2 . . . 46 LYS+ HB3 . . . . . 46 LYS+ HG2 . . rr_1kwj 1 885 1 . . 1 1 46 46 LYS HB3 H . . . 1 1 46 46 LYS HG3 H . . . . . . . 3.8 . . . . . A . 46 LYS HB3 . . A . 46 LYS HG3 . . . 46 LYS+ HB3 . . . . . 46 LYS+ HG3 . . rr_1kwj 1 886 1 . . 1 1 47 47 ASP H H . . . 1 1 46 46 LYS HB3 H . . . . . . . 3.0 . . . . . A . 47 ASP H . . A . 46 LYS HB3 . . . 47 ASP- HN . . . . . 46 LYS+ HB3 . . rr_1kwj 1 887 1 . . 1 1 48 48 ALA H H . . . 1 1 46 46 LYS HB3 H . . . . . . . 5.5 . . . . . A . 48 ALA H . . A . 46 LYS HB3 . . . 48 ALA HN . . . . . 46 LYS+ HB3 . . rr_1kwj 1 888 1 . . 1 1 47 47 ASP H H . . . 1 1 46 46 LYS HG2 H . . . . . . . 3.9 . . . . . A . 47 ASP H . . A . 46 LYS HG2 . . . 47 ASP- HN . . . . . 46 LYS+ HG2 . . rr_1kwj 1 889 1 . . 1 1 47 47 ASP H H . . . 1 1 46 46 LYS HD2 H . . . . . . . 5.1 . . . . . A . 47 ASP H . . A . 46 LYS HD2 . . . 47 ASP- HN . . . . . 46 LYS+ HD2 . . rr_1kwj 1 890 1 . . 1 1 47 47 ASP H H . . . 1 1 47 47 ASP HA H . . . . . . . 4.0 . . . . . A . 47 ASP H . . A . 47 ASP HA . . . 47 ASP- HN . . . . . 47 ASP- HA . . rr_1kwj 1 891 1 . . 1 1 47 47 ASP H H . . . 1 1 47 47 ASP HB2 H . . . . . . . 3.5 . . . . . A . 47 ASP H . . A . 47 ASP HB2 . . . 47 ASP- HN . . . . . 47 ASP- HB2 . . rr_1kwj 1 892 1 . . 1 1 47 47 ASP H H . . . 1 1 47 47 ASP HB3 H . . . . . . . 3.1 . . . . . A . 47 ASP H . . A . 47 ASP HB3 . . . 47 ASP- HN . . . . . 47 ASP- HB3 . . rr_1kwj 1 893 1 . . 1 1 48 48 ALA H H . . . 1 1 47 47 ASP H H . . . . . . . 3.1 . . . . . A . 48 ALA H . . A . 47 ASP H . . . 48 ALA HN . . . . . 47 ASP- HN . . rr_1kwj 1 894 1 . . 1 1 48 48 ALA MB H . . . 1 1 47 47 ASP H H . . . . . . . 6.3 . . . . . A . 48 ALA MB . . A . 47 ASP H . . . 48 ALA QB . . . . . 47 ASP- HN . . rr_1kwj 1 895 1 . . 1 1 47 47 ASP HA H . . . 1 1 47 47 ASP HB2 H . . . . . . . 3.3 . . . . . A . 47 ASP HA . . A . 47 ASP HB2 . . . 47 ASP- HA . . . . . 47 ASP- HB2 . . rr_1kwj 1 896 1 . . 1 1 47 47 ASP HA H . . . 1 1 47 47 ASP HB3 H . . . . . . . 3.7 . . . . . A . 47 ASP HA . . A . 47 ASP HB3 . . . 47 ASP- HA . . . . . 47 ASP- HB3 . . rr_1kwj 1 897 1 . . 1 1 48 48 ALA H H . . . 1 1 47 47 ASP HA H . . . . . . . 4.7 . . . . . A . 48 ALA H . . A . 47 ASP HA . . . 48 ALA HN . . . . . 47 ASP- HA . . rr_1kwj 1 898 1 . . 1 1 47 47 ASP HA H . . . 1 1 51 51 THR HB H . . . . . . . 3.8 . . . . . A . 47 ASP HA . . A . 51 THR HB . . . 47 ASP- HA . . . . . 51 THR HB . . rr_1kwj 1 899 1 . . 1 1 47 47 ASP HA H . . . 1 1 51 51 THR MG H . . . . . . . 6.0 . . . . . A . 47 ASP HA . . A . 51 THR MG . . . 47 ASP- HA . . . . . 51 THR QG2 . . rr_1kwj 1 900 1 . . 1 1 48 48 ALA H H . . . 1 1 47 47 ASP HB2 H . . . . . . . 5.1 . . . . . A . 48 ALA H . . A . 47 ASP HB2 . . . 48 ALA HN . . . . . 47 ASP- HB2 . . rr_1kwj 1 901 1 . . 1 1 48 48 ALA H H . . . 1 1 47 47 ASP HB3 H . . . . . . . 4.3 . . . . . A . 48 ALA H . . A . 47 ASP HB3 . . . 48 ALA HN . . . . . 47 ASP- HB3 . . rr_1kwj 1 902 1 . . 1 1 48 48 ALA H H . . . 1 1 48 48 ALA HA H . . . . . . . 3.5 . . . . . A . 48 ALA H . . A . 48 ALA HA . . . 48 ALA HN . . . . . 48 ALA HA . . rr_1kwj 1 903 1 . . 1 1 48 48 ALA MB H . . . 1 1 48 48 ALA H H . . . . . . . 3.3 . . . . . A . 48 ALA MB . . A . 48 ALA H . . . 48 ALA QB . . . . . 48 ALA HN . . rr_1kwj 1 904 1 . . 1 1 48 48 ALA MB H . . . 1 1 48 48 ALA HA H . . . . . . . 3.3 . . . . . A . 48 ALA MB . . A . 48 ALA HA . . . 48 ALA QB . . . . . 48 ALA HA . . rr_1kwj 1 905 1 . . 1 1 48 48 ALA HA H . . . 1 1 52 52 CYS H H . . . . . . . 5.5 . . . . . A . 48 ALA HA . . A . 52 CYS H . . . 48 ALA HA . . . . . 52 CYSS HN . . rr_1kwj 1 906 1 . . 1 1 48 48 ALA MB H . . . 1 1 50 50 LYS H H . . . . . . . 6.3 . . . . . A . 48 ALA MB . . A . 50 LYS H . . . 48 ALA QB . . . . . 50 LYS+ HN . . rr_1kwj 1 907 1 . . 1 1 49 49 CYS HB3 H . . . 1 1 51 51 THR H H . . . . . . . 4.7 . . . . . A . 49 CYS HB3 . . A . 51 THR H . . . 49 CYSS HB3 . . . . . 51 THR HN . . rr_1kwj 1 908 1 . . 1 1 50 50 LYS H H . . . 1 1 50 50 LYS HA H . . . . . . . 5.5 . . . . . A . 50 LYS H . . A . 50 LYS HA . . . 50 LYS+ HN . . . . . 50 LYS+ HA . . rr_1kwj 1 909 1 . . 1 1 50 50 LYS H H . . . 1 1 50 50 LYS HB2 H . . . . . . . 3.3 . . . . . A . 50 LYS H . . A . 50 LYS HB2 . . . 50 LYS+ HN . . . . . 50 LYS+ HB2 . . rr_1kwj 1 910 1 . . 1 1 50 50 LYS H H . . . 1 1 50 50 LYS HB3 H . . . . . . . 3.5 . . . . . A . 50 LYS H . . A . 50 LYS HB3 . . . 50 LYS+ HN . . . . . 50 LYS+ HB3 . . rr_1kwj 1 911 1 . . 1 1 50 50 LYS H H . . . 1 1 50 50 LYS HG2 H . . . . . . . 3.9 . . . . . A . 50 LYS H . . A . 50 LYS HG2 . . . 50 LYS+ HN . . . . . 50 LYS+ HG2 . . rr_1kwj 1 912 1 . . 1 1 50 50 LYS HG3 H . . . 1 1 50 50 LYS H H . . . . . . . 2.9 . . . . . A . 50 LYS HG3 . . A . 50 LYS H . . . 50 LYS+ HG3 . . . . . 50 LYS+ HN . . rr_1kwj 1 913 1 OR . 1 1 50 50 LYS H H . . . 1 1 50 50 LYS HD2 H . . . . . . . 6.5 . . . . . A . 50 LYS H . . A . 50 LYS HD2 . . . 50 LYS+ HN . . . . . 50 LYS+ QD . . rr_1kwj 1 913 2 OR . 1 1 50 50 LYS H H . . . 1 1 50 50 LYS HD3 H . . . . . . . 6.5 . . . . . A . 50 LYS H . . A . 50 LYS HD3 . . . 50 LYS+ HN . . . . . 50 LYS+ QD . . rr_1kwj 1 914 1 . . 1 1 50 50 LYS H H . . . 1 1 50 50 LYS HE2 H . . . . . . . 5.5 . . . . . A . 50 LYS H . . A . 50 LYS HE2 . . . 50 LYS+ HN . . . . . 50 LYS+ HE2 . . rr_1kwj 1 915 1 . . 1 1 50 50 LYS H H . . . 1 1 50 50 LYS HE3 H . . . . . . . 5.5 . . . . . A . 50 LYS H . . A . 50 LYS HE3 . . . 50 LYS+ HN . . . . . 50 LYS+ HE3 . . rr_1kwj 1 916 1 . . 1 1 50 50 LYS H H . . . 1 1 51 51 THR H H . . . . . . . 4.0 . . . . . A . 50 LYS H . . A . 51 THR H . . . 50 LYS+ HN . . . . . 51 THR HN . . rr_1kwj 1 917 1 . . 1 1 50 50 LYS HB2 H . . . 1 1 50 50 LYS HA H . . . . . . . 4.6 . . . . . A . 50 LYS HB2 . . A . 50 LYS HA . . . 50 LYS+ HB2 . . . . . 50 LYS+ HA . . rr_1kwj 1 918 1 . . 1 1 50 50 LYS HB3 H . . . 1 1 50 50 LYS HA H . . . . . . . 4.2 . . . . . A . 50 LYS HB3 . . A . 50 LYS HA . . . 50 LYS+ HB3 . . . . . 50 LYS+ HA . . rr_1kwj 1 919 1 . . 1 1 50 50 LYS HG2 H . . . 1 1 50 50 LYS HA H . . . . . . . 4.7 . . . . . A . 50 LYS HG2 . . A . 50 LYS HA . . . 50 LYS+ HG2 . . . . . 50 LYS+ HA . . rr_1kwj 1 920 1 . . 1 1 51 51 THR H H . . . 1 1 50 50 LYS HA H . . . . . . . 4.2 . . . . . A . 51 THR H . . A . 50 LYS HA . . . 51 THR HN . . . . . 50 LYS+ HA . . rr_1kwj 1 921 1 OR . 1 1 50 50 LYS HB2 H . . . 1 1 50 50 LYS HD2 H . . . . . . . 5.0 . . . . . A . 50 LYS HB2 . . A . 50 LYS HD2 . . . 50 LYS+ HB2 . . . . . 50 LYS+ QD . . rr_1kwj 1 921 2 OR . 1 1 50 50 LYS HB2 H . . . 1 1 50 50 LYS HD3 H . . . . . . . 5.0 . . . . . A . 50 LYS HB2 . . A . 50 LYS HD3 . . . 50 LYS+ HB2 . . . . . 50 LYS+ QD . . rr_1kwj 1 922 1 . . 1 1 50 50 LYS HB2 H . . . 1 1 50 50 LYS HE2 H . . . . . . . 4.5 . . . . . A . 50 LYS HB2 . . A . 50 LYS HE2 . . . 50 LYS+ HB2 . . . . . 50 LYS+ HE2 . . rr_1kwj 1 923 1 . . 1 1 50 50 LYS HB2 H . . . 1 1 50 50 LYS HE3 H . . . . . . . 3.4 . . . . . A . 50 LYS HB2 . . A . 50 LYS HE3 . . . 50 LYS+ HB2 . . . . . 50 LYS+ HE3 . . rr_1kwj 1 924 1 . . 1 1 50 50 LYS HB2 H . . . 1 1 51 51 THR H H . . . . . . . 4.3 . . . . . A . 50 LYS HB2 . . A . 51 THR H . . . 50 LYS+ HB2 . . . . . 51 THR HN . . rr_1kwj 1 925 1 . . 1 1 50 50 LYS HB3 H . . . 1 1 50 50 LYS HG2 H . . . . . . . 3.4 . . . . . A . 50 LYS HB3 . . A . 50 LYS HG2 . . . 50 LYS+ HB3 . . . . . 50 LYS+ HG2 . . rr_1kwj 1 926 1 OR . 1 1 50 50 LYS HB3 H . . . 1 1 50 50 LYS HD2 H . . . . . . . 6.4 . . . . . A . 50 LYS HB3 . . A . 50 LYS HD2 . . . 50 LYS+ HB3 . . . . . 50 LYS+ QD . . rr_1kwj 1 926 2 OR . 1 1 50 50 LYS HB3 H . . . 1 1 50 50 LYS HD3 H . . . . . . . 6.4 . . . . . A . 50 LYS HB3 . . A . 50 LYS HD3 . . . 50 LYS+ HB3 . . . . . 50 LYS+ QD . . rr_1kwj 1 927 1 . . 1 1 50 50 LYS HB3 H . . . 1 1 50 50 LYS HE2 H . . . . . . . 3.3 . . . . . A . 50 LYS HB3 . . A . 50 LYS HE2 . . . 50 LYS+ HB3 . . . . . 50 LYS+ HE2 . . rr_1kwj 1 928 1 . . 1 1 50 50 LYS HB3 H . . . 1 1 50 50 LYS HE3 H . . . . . . . 3.8 . . . . . A . 50 LYS HB3 . . A . 50 LYS HE3 . . . 50 LYS+ HB3 . . . . . 50 LYS+ HE3 . . rr_1kwj 1 929 1 . . 1 1 50 50 LYS HB3 H . . . 1 1 51 51 THR H H . . . . . . . 3.7 . . . . . A . 50 LYS HB3 . . A . 51 THR H . . . 50 LYS+ HB3 . . . . . 51 THR HN . . rr_1kwj 1 930 1 OR . 1 1 50 50 LYS HG2 H . . . 1 1 50 50 LYS HD2 H . . . . . . . 4.6 . . . . . A . 50 LYS HG2 . . A . 50 LYS HD2 . . . 50 LYS+ HG2 . . . . . 50 LYS+ QD . . rr_1kwj 1 930 2 OR . 1 1 50 50 LYS HG2 H . . . 1 1 50 50 LYS HD3 H . . . . . . . 4.6 . . . . . A . 50 LYS HG2 . . A . 50 LYS HD3 . . . 50 LYS+ HG2 . . . . . 50 LYS+ QD . . rr_1kwj 1 931 1 . . 1 1 50 50 LYS HE2 H . . . 1 1 50 50 LYS HD2 H . . . . . . . 4.9 . . . . . A . 50 LYS HE2 . . A . 50 LYS HD2 . . . 50 LYS+ HE2 . . . . . 50 LYS+ HD2 . . rr_1kwj 1 932 1 OR . 1 1 50 50 LYS HE2 H . . . 1 1 50 50 LYS HD2 H . . . . . . . 6.5 . . . . . A . 50 LYS HE2 . . A . 50 LYS HD2 . . . 50 LYS+ HE2 . . . . . 50 LYS+ QD . . rr_1kwj 1 932 2 OR . 1 1 50 50 LYS HD3 H . . . 1 1 50 50 LYS HE2 H . . . . . . . 6.5 . . . . . A . 50 LYS HD3 . . A . 50 LYS HE2 . . . 50 LYS+ QD . . . . . 50 LYS+ HE2 . . rr_1kwj 1 933 1 OR . 1 1 50 50 LYS HE3 H . . . 1 1 50 50 LYS HD2 H . . . . . . . 5.9 . . . . . A . 50 LYS HE3 . . A . 50 LYS HD2 . . . 50 LYS+ HE3 . . . . . 50 LYS+ QD . . rr_1kwj 1 933 2 OR . 1 1 50 50 LYS HD3 H . . . 1 1 50 50 LYS HE3 H . . . . . . . 5.9 . . . . . A . 50 LYS HD3 . . A . 50 LYS HE3 . . . 50 LYS+ QD . . . . . 50 LYS+ HE3 . . rr_1kwj 1 934 1 . . 1 1 51 51 THR H H . . . 1 1 51 51 THR HA H . . . . . . . 3.7 . . . . . A . 51 THR H . . A . 51 THR HA . . . 51 THR HN . . . . . 51 THR HA . . rr_1kwj 1 935 1 . . 1 1 51 51 THR HB H . . . 1 1 51 51 THR H H . . . . . . . 3.3 . . . . . A . 51 THR HB . . A . 51 THR H . . . 51 THR HB . . . . . 51 THR HN . . rr_1kwj 1 936 1 . . 1 1 51 51 THR MG H . . . 1 1 51 51 THR H H . . . . . . . 5.6 . . . . . A . 51 THR MG . . A . 51 THR H . . . 51 THR QG2 . . . . . 51 THR HN . . rr_1kwj 1 937 1 . . 1 1 52 52 CYS H H . . . 1 1 51 51 THR H H . . . . . . . 3.9 . . . . . A . 52 CYS H . . A . 51 THR H . . . 52 CYSS HN . . . . . 51 THR HN . . rr_1kwj 1 938 1 . . 1 1 51 51 THR HB H . . . 1 1 51 51 THR HA H . . . . . . . 4.5 . . . . . A . 51 THR HB . . A . 51 THR HA . . . 51 THR HB . . . . . 51 THR HA . . rr_1kwj 1 939 1 . . 1 1 51 51 THR MG H . . . 1 1 51 51 THR HA H . . . . . . . 4.2 . . . . . A . 51 THR MG . . A . 51 THR HA . . . 51 THR QG2 . . . . . 51 THR HA . . rr_1kwj 1 940 1 . . 1 1 52 52 CYS H H . . . 1 1 51 51 THR HA H . . . . . . . 4.7 . . . . . A . 52 CYS H . . A . 51 THR HA . . . 52 CYSS HN . . . . . 51 THR HA . . rr_1kwj 1 941 1 . . 1 1 51 51 THR HA H . . . 1 1 54 54 LYS H H . . . . . . . 5.1 . . . . . A . 51 THR HA . . A . 54 LYS H . . . 51 THR HA . . . . . 54 LYS+ HN . . rr_1kwj 1 942 1 . . 1 1 51 51 THR HA H . . . 1 1 54 54 LYS HG3 H . . . . . . . 5.5 . . . . . A . 51 THR HA . . A . 54 LYS HG3 . . . 51 THR HA . . . . . 54 LYS+ HG3 . . rr_1kwj 1 943 1 . . 1 1 51 51 THR HA H . . . 1 1 54 54 LYS HD2 H . . . . . . . 5.5 . . . . . A . 51 THR HA . . A . 54 LYS HD2 . . . 51 THR HA . . . . . 54 LYS+ HD2 . . rr_1kwj 1 944 1 . . 1 1 51 51 THR HB H . . . 1 1 51 51 THR MG H . . . . . . . 4.2 . . . . . A . 51 THR HB . . A . 51 THR MG . . . 51 THR HB . . . . . 51 THR QG2 . . rr_1kwj 1 945 1 . . 1 1 51 51 THR HB H . . . 1 1 52 52 CYS H H . . . . . . . 3.8 . . . . . A . 51 THR HB . . A . 52 CYS H . . . 51 THR HB . . . . . 52 CYSS HN . . rr_1kwj 1 946 1 . . 1 1 51 51 THR MG H . . . 1 1 52 52 CYS H H . . . . . . . 6.0 . . . . . A . 51 THR MG . . A . 52 CYS H . . . 51 THR QG2 . . . . . 52 CYSS HN . . rr_1kwj 1 947 1 . . 1 1 51 51 THR MG H . . . 1 1 54 54 LYS HD2 H . . . . . . . 5.5 . . . . . A . 51 THR MG . . A . 54 LYS HD2 . . . 51 THR QG2 . . . . . 54 LYS+ HD2 . . rr_1kwj 1 948 1 . . 1 1 52 52 CYS H H . . . 1 1 52 52 CYS HA H . . . . . . . 3.7 . . . . . A . 52 CYS H . . A . 52 CYS HA . . . 52 CYSS HN . . . . . 52 CYSS HA . . rr_1kwj 1 949 1 . . 1 1 52 52 CYS H H . . . 1 1 52 52 CYS HB2 H . . . . . . . 3.3 . . . . . A . 52 CYS H . . A . 52 CYS HB2 . . . 52 CYSS HN . . . . . 52 CYSS HB2 . . rr_1kwj 1 950 1 . . 1 1 52 52 CYS H H . . . 1 1 52 52 CYS HB3 H . . . . . . . 4.1 . . . . . A . 52 CYS H . . A . 52 CYS HB3 . . . 52 CYSS HN . . . . . 52 CYSS HB3 . . rr_1kwj 1 951 1 . . 1 1 52 52 CYS HA H . . . 1 1 52 52 CYS HB2 H . . . . . . . 3.4 . . . . . A . 52 CYS HA . . A . 52 CYS HB2 . . . 52 CYSS HA . . . . . 52 CYSS HB2 . . rr_1kwj 1 952 1 . . 1 1 52 52 CYS HA H . . . 1 1 52 52 CYS HB3 H . . . . . . . 4.2 . . . . . A . 52 CYS HA . . A . 52 CYS HB3 . . . 52 CYSS HA . . . . . 52 CYSS HB3 . . rr_1kwj 1 953 1 . . 1 1 54 54 LYS H H . . . 1 1 54 54 LYS HB2 H . . . . . . . 3.2 . . . . . A . 54 LYS H . . A . 54 LYS HB2 . . . 54 LYS+ HN . . . . . 54 LYS+ HB2 . . rr_1kwj 1 954 1 . . 1 1 54 54 LYS H H . . . 1 1 54 54 LYS HB3 H . . . . . . . 3.6 . . . . . A . 54 LYS H . . A . 54 LYS HB3 . . . 54 LYS+ HN . . . . . 54 LYS+ HB3 . . rr_1kwj 1 955 1 . . 1 1 54 54 LYS H H . . . 1 1 54 54 LYS HG2 H . . . . . . . 5.5 . . . . . A . 54 LYS H . . A . 54 LYS HG2 . . . 54 LYS+ HN . . . . . 54 LYS+ HG2 . . rr_1kwj 1 956 1 . . 1 1 54 54 LYS H H . . . 1 1 54 54 LYS HG3 H . . . . . . . 3.9 . . . . . A . 54 LYS H . . A . 54 LYS HG3 . . . 54 LYS+ HN . . . . . 54 LYS+ HG3 . . rr_1kwj 1 957 1 . . 1 1 54 54 LYS H H . . . 1 1 54 54 LYS HD2 H . . . . . . . 5.5 . . . . . A . 54 LYS H . . A . 54 LYS HD2 . . . 54 LYS+ HN . . . . . 54 LYS+ HD2 . . rr_1kwj 1 958 1 . . 1 1 54 54 LYS H H . . . 1 1 55 55 SER H H . . . . . . . 4.1 . . . . . A . 54 LYS H . . A . 55 SER H . . . 54 LYS+ HN . . . . . 55 SER HN . . rr_1kwj 1 959 1 . . 1 1 54 54 LYS H H . . . 1 1 55 55 SER HB3 H . . . . . . . 4.9 . . . . . A . 54 LYS H . . A . 55 SER HB3 . . . 54 LYS+ HN . . . . . 55 SER HB3 . . rr_1kwj 1 960 1 . . 1 1 54 54 LYS H H . . . 1 1 56 56 ASN H H . . . . . . . 4.8 . . . . . A . 54 LYS H . . A . 56 ASN H . . . 54 LYS+ HN . . . . . 56 ASN HN . . rr_1kwj 1 961 1 . . 1 1 54 54 LYS HB2 H . . . 1 1 54 54 LYS HA H . . . . . . . 3.3 . . . . . A . 54 LYS HB2 . . A . 54 LYS HA . . . 54 LYS+ HB2 . . . . . 54 LYS+ HA . . rr_1kwj 1 962 1 . . 1 1 54 54 LYS HG2 H . . . 1 1 54 54 LYS HA H . . . . . . . 3.1 . . . . . A . 54 LYS HG2 . . A . 54 LYS HA . . . 54 LYS+ HG2 . . . . . 54 LYS+ HA . . rr_1kwj 1 963 1 . . 1 1 54 54 LYS HG3 H . . . 1 1 54 54 LYS HA H . . . . . . . 3.2 . . . . . A . 54 LYS HG3 . . A . 54 LYS HA . . . 54 LYS+ HG3 . . . . . 54 LYS+ HA . . rr_1kwj 1 964 1 . . 1 1 54 54 LYS HA H . . . 1 1 54 54 LYS HD3 H . . . . . . . 2.8 . . . . . A . 54 LYS HA . . A . 54 LYS HD3 . . . 54 LYS+ HA . . . . . 54 LYS+ HD3 . . rr_1kwj 1 965 1 . . 1 1 54 54 LYS HG3 H . . . 1 1 54 54 LYS HB2 H . . . . . . . 2.4 . . . . . A . 54 LYS HG3 . . A . 54 LYS HB2 . . . 54 LYS+ HG3 . . . . . 54 LYS+ HB2 . . rr_1kwj 1 966 1 . . 1 1 54 54 LYS HD2 H . . . 1 1 54 54 LYS HB2 H . . . . . . . 2.6 . . . . . A . 54 LYS HD2 . . A . 54 LYS HB2 . . . 54 LYS+ HD2 . . . . . 54 LYS+ HB2 . . rr_1kwj 1 967 1 . . 1 1 55 55 SER H H . . . 1 1 54 54 LYS HB2 H . . . . . . . 4.0 . . . . . A . 55 SER H . . A . 54 LYS HB2 . . . 55 SER HN . . . . . 54 LYS+ HB2 . . rr_1kwj 1 968 1 . . 1 1 54 54 LYS HB2 H . . . 1 1 56 56 ASN H H . . . . . . . 5.0 . . . . . A . 54 LYS HB2 . . A . 56 ASN H . . . 54 LYS+ HB2 . . . . . 56 ASN HN . . rr_1kwj 1 969 1 . . 1 1 54 54 LYS HG2 H . . . 1 1 54 54 LYS HB3 H . . . . . . . 3.3 . . . . . A . 54 LYS HG2 . . A . 54 LYS HB3 . . . 54 LYS+ HG2 . . . . . 54 LYS+ HB3 . . rr_1kwj 1 970 1 . . 1 1 54 54 LYS HG3 H . . . 1 1 54 54 LYS HB3 H . . . . . . . 2.5 . . . . . A . 54 LYS HG3 . . A . 54 LYS HB3 . . . 54 LYS+ HG3 . . . . . 54 LYS+ HB3 . . rr_1kwj 1 971 1 . . 1 1 55 55 SER H H . . . 1 1 54 54 LYS HB3 H . . . . . . . 5.5 . . . . . A . 55 SER H . . A . 54 LYS HB3 . . . 55 SER HN . . . . . 54 LYS+ HB3 . . rr_1kwj 1 972 1 . . 1 1 54 54 LYS HD2 H . . . 1 1 54 54 LYS HG2 H . . . . . . . 3.0 . . . . . A . 54 LYS HD2 . . A . 54 LYS HG2 . . . 54 LYS+ HD2 . . . . . 54 LYS+ HG2 . . rr_1kwj 1 973 1 . . 1 1 54 54 LYS HG2 H . . . 1 1 54 54 LYS HD3 H . . . . . . . 3.7 . . . . . A . 54 LYS HG2 . . A . 54 LYS HD3 . . . 54 LYS+ HG2 . . . . . 54 LYS+ HD3 . . rr_1kwj 1 974 1 . . 1 1 54 54 LYS HG3 H . . . 1 1 54 54 LYS HD2 H . . . . . . . 3.4 . . . . . A . 54 LYS HG3 . . A . 54 LYS HD2 . . . 54 LYS+ HG3 . . . . . 54 LYS+ HD2 . . rr_1kwj 1 975 1 . . 1 1 54 54 LYS HG3 H . . . 1 1 54 54 LYS HD3 H . . . . . . . 5.5 . . . . . A . 54 LYS HG3 . . A . 54 LYS HD3 . . . 54 LYS+ HG3 . . . . . 54 LYS+ HD3 . . rr_1kwj 1 976 1 . . 1 1 54 54 LYS HG3 H . . . 1 1 55 55 SER H H . . . . . . . 5.5 . . . . . A . 54 LYS HG3 . . A . 55 SER H . . . 54 LYS+ HG3 . . . . . 55 SER HN . . rr_1kwj 1 977 1 . . 1 1 55 55 SER H H . . . 1 1 55 55 SER HB2 H . . . . . . . 4.9 . . . . . A . 55 SER H . . A . 55 SER HB2 . . . 55 SER HN . . . . . 55 SER HB2 . . rr_1kwj 1 978 1 . . 1 1 55 55 SER H H . . . 1 1 55 55 SER HB3 H . . . . . . . 3.7 . . . . . A . 55 SER H . . A . 55 SER HB3 . . . 55 SER HN . . . . . 55 SER HB3 . . rr_1kwj 1 979 1 OR . 1 1 55 55 SER H H . . . 1 1 56 56 ASN HB2 H . . . . . . . 6.2 . . . . . A . 55 SER H . . A . 56 ASN HB2 . . . 55 SER HN . . . . . 56 ASN QB . . rr_1kwj 1 979 2 OR . 1 1 55 55 SER H H . . . 1 1 56 56 ASN HB3 H . . . . . . . 6.2 . . . . . A . 55 SER H . . A . 56 ASN HB3 . . . 55 SER HN . . . . . 56 ASN QB . . rr_1kwj 1 980 1 . . 1 1 55 55 SER H H . . . 1 1 56 56 ASN HD21 H . . . . . . . 5.5 . . . . . A . 55 SER H . . A . 56 ASN HD21 . . . 55 SER HN . . . . . 56 ASN HD21 . . rr_1kwj 1 981 1 . . 1 1 55 55 SER HB2 H . . . 1 1 55 55 SER HA H . . . . . . . 4.9 . . . . . A . 55 SER HB2 . . A . 55 SER HA . . . 55 SER HB2 . . . . . 55 SER HA . . rr_1kwj 1 982 1 . . 1 1 56 56 ASN H H . . . 1 1 55 55 SER HB2 H . . . . . . . 5.4 . . . . . A . 56 ASN H . . A . 55 SER HB2 . . . 56 ASN HN . . . . . 55 SER HB2 . . rr_1kwj 1 983 1 . . 1 1 55 55 SER HB3 H . . . 1 1 56 56 ASN H H . . . . . . . 4.0 . . . . . A . 55 SER HB3 . . A . 56 ASN H . . . 55 SER HB3 . . . . . 56 ASN HN . . rr_1kwj 1 984 1 . . 1 1 55 55 SER HB3 H . . . 1 1 56 56 ASN HD21 H . . . . . . . 5.5 . . . . . A . 55 SER HB3 . . A . 56 ASN HD21 . . . 55 SER HB3 . . . . . 56 ASN HD21 . . rr_1kwj 1 985 1 . . 1 1 56 56 ASN H H . . . 1 1 56 56 ASN HA H . . . . . . . 5.1 . . . . . A . 56 ASN H . . A . 56 ASN HA . . . 56 ASN HN . . . . . 56 ASN HA . . rr_1kwj 1 986 1 OR . 1 1 56 56 ASN H H . . . 1 1 56 56 ASN HB2 H . . . . . . . 4.9 . . . . . A . 56 ASN H . . A . 56 ASN HB2 . . . 56 ASN HN . . . . . 56 ASN QB . . rr_1kwj 1 986 2 OR . 1 1 56 56 ASN H H . . . 1 1 56 56 ASN HB3 H . . . . . . . 4.9 . . . . . A . 56 ASN H . . A . 56 ASN HB3 . . . 56 ASN HN . . . . . 56 ASN QB . . rr_1kwj 1 987 1 . . 1 1 56 56 ASN H H . . . 1 1 56 56 ASN HD21 H . . . . . . . 5.5 . . . . . A . 56 ASN H . . A . 56 ASN HD21 . . . 56 ASN HN . . . . . 56 ASN HD21 . . rr_1kwj 1 988 1 . . 1 1 56 56 ASN H H . . . 1 1 56 56 ASN HD22 H . . . . . . . 5.5 . . . . . A . 56 ASN H . . A . 56 ASN HD22 . . . 56 ASN HN . . . . . 56 ASN HD22 . . rr_1kwj 1 989 1 . . 1 1 56 56 ASN H H . . . 1 1 57 57 ASN H H . . . . . . . 4.2 . . . . . A . 56 ASN H . . A . 57 ASN H . . . 56 ASN HN . . . . . 57 ASN HN . . rr_1kwj 1 990 1 . . 1 1 56 56 ASN H H . . . 1 1 58 58 GLY H H . . . . . . . 5.5 . . . . . A . 56 ASN H . . A . 58 GLY H . . . 56 ASN HN . . . . . 58 GLY HN . . rr_1kwj 1 991 1 OR . 1 1 56 56 ASN HA H . . . 1 1 56 56 ASN HB2 H . . . . . . . 4.0 . . . . . A . 56 ASN HA . . A . 56 ASN HB2 . . . 56 ASN HA . . . . . 56 ASN QB . . rr_1kwj 1 991 2 OR . 1 1 56 56 ASN HB3 H . . . 1 1 56 56 ASN HA H . . . . . . . 4.0 . . . . . A . 56 ASN HB3 . . A . 56 ASN HA . . . 56 ASN QB . . . . . 56 ASN HA . . rr_1kwj 1 992 1 . . 1 1 56 56 ASN HA H . . . 1 1 57 57 ASN H H . . . . . . . 5.5 . . . . . A . 56 ASN HA . . A . 57 ASN H . . . 56 ASN HA . . . . . 57 ASN HN . . rr_1kwj 1 993 1 OR . 1 1 56 56 ASN HD21 H . . . 1 1 56 56 ASN HB2 H . . . . . . . 4.4 . . . . . A . 56 ASN HD21 . . A . 56 ASN HB2 . . . 56 ASN HD21 . . . . . 56 ASN QB . . rr_1kwj 1 993 2 OR . 1 1 56 56 ASN HB3 H . . . 1 1 56 56 ASN HD21 H . . . . . . . 4.4 . . . . . A . 56 ASN HB3 . . A . 56 ASN HD21 . . . 56 ASN QB . . . . . 56 ASN HD21 . . rr_1kwj 1 994 1 OR . 1 1 56 56 ASN HD22 H . . . 1 1 56 56 ASN HB2 H . . . . . . . 5.4 . . . . . A . 56 ASN HD22 . . A . 56 ASN HB2 . . . 56 ASN HD22 . . . . . 56 ASN QB . . rr_1kwj 1 994 2 OR . 1 1 56 56 ASN HB3 H . . . 1 1 56 56 ASN HD22 H . . . . . . . 5.4 . . . . . A . 56 ASN HB3 . . A . 56 ASN HD22 . . . 56 ASN QB . . . . . 56 ASN HD22 . . rr_1kwj 1 995 1 OR . 1 1 57 57 ASN H H . . . 1 1 56 56 ASN HB2 H . . . . . . . 4.4 . . . . . A . 57 ASN H . . A . 56 ASN HB2 . . . 57 ASN HN . . . . . 56 ASN QB . . rr_1kwj 1 995 2 OR . 1 1 56 56 ASN HB3 H . . . 1 1 57 57 ASN H H . . . . . . . 4.4 . . . . . A . 56 ASN HB3 . . A . 57 ASN H . . . 56 ASN QB . . . . . 57 ASN HN . . rr_1kwj 1 996 1 OR . 1 1 58 58 GLY H H . . . 1 1 56 56 ASN HB2 H . . . . . . . 6.5 . . . . . A . 58 GLY H . . A . 56 ASN HB2 . . . 58 GLY HN . . . . . 56 ASN QB . . rr_1kwj 1 996 2 OR . 1 1 56 56 ASN HB3 H . . . 1 1 58 58 GLY H H . . . . . . . 6.5 . . . . . A . 56 ASN HB3 . . A . 58 GLY H . . . 56 ASN QB . . . . . 58 GLY HN . . rr_1kwj 1 997 1 . . 1 1 56 56 ASN HD21 H . . . 1 1 57 57 ASN H H . . . . . . . 5.5 . . . . . A . 56 ASN HD21 . . A . 57 ASN H . . . 56 ASN HD21 . . . . . 57 ASN HN . . rr_1kwj 1 998 1 . . 1 1 56 56 ASN HD21 H . . . 1 1 57 57 ASN HD21 H . . . . . . . 4.7 . . . . . A . 56 ASN HD21 . . A . 57 ASN HD21 . . . 56 ASN HD21 . . . . . 57 ASN HD21 . . rr_1kwj 1 999 1 . . 1 1 57 57 ASN H H . . . 1 1 57 57 ASN HA H . . . . . . . 4.3 . . . . . A . 57 ASN H . . A . 57 ASN HA . . . 57 ASN HN . . . . . 57 ASN HA . . rr_1kwj 1 1000 1 . . 1 1 57 57 ASN H H . . . 1 1 57 57 ASN HB2 H . . . . . . . 4.2 . . . . . A . 57 ASN H . . A . 57 ASN HB2 . . . 57 ASN HN . . . . . 57 ASN HB2 . . rr_1kwj 1 1001 1 . . 1 1 57 57 ASN H H . . . 1 1 57 57 ASN HB3 H . . . . . . . 3.8 . . . . . A . 57 ASN H . . A . 57 ASN HB3 . . . 57 ASN HN . . . . . 57 ASN HB3 . . rr_1kwj 1 1002 1 . . 1 1 57 57 ASN H H . . . 1 1 57 57 ASN HD21 H . . . . . . . 5.5 . . . . . A . 57 ASN H . . A . 57 ASN HD21 . . . 57 ASN HN . . . . . 57 ASN HD21 . . rr_1kwj 1 1003 1 . . 1 1 57 57 ASN H H . . . 1 1 58 58 GLY H H . . . . . . . 4.2 . . . . . A . 57 ASN H . . A . 58 GLY H . . . 57 ASN HN . . . . . 58 GLY HN . . rr_1kwj 1 1004 1 . . 1 1 58 58 GLY H H . . . 1 1 57 57 ASN HA H . . . . . . . 4.6 . . . . . A . 58 GLY H . . A . 57 ASN HA . . . 58 GLY HN . . . . . 57 ASN HA . . rr_1kwj 1 1005 1 . . 1 1 57 57 ASN HD21 H . . . 1 1 57 57 ASN HB2 H . . . . . . . 4.8 . . . . . A . 57 ASN HD21 . . A . 57 ASN HB2 . . . 57 ASN HD21 . . . . . 57 ASN HB2 . . rr_1kwj 1 1006 1 . . 1 1 57 57 ASN HB2 H . . . 1 1 57 57 ASN HD22 H . . . . . . . 5.5 . . . . . A . 57 ASN HB2 . . A . 57 ASN HD22 . . . 57 ASN HB2 . . . . . 57 ASN HD22 . . rr_1kwj 1 1007 1 . . 1 1 58 58 GLY H H . . . 1 1 57 57 ASN HB2 H . . . . . . . 5.5 . . . . . A . 58 GLY H . . A . 57 ASN HB2 . . . 58 GLY HN . . . . . 57 ASN HB2 . . rr_1kwj 1 1008 1 . . 1 1 57 57 ASN HD21 H . . . 1 1 57 57 ASN HB3 H . . . . . . . 3.3 . . . . . A . 57 ASN HD21 . . A . 57 ASN HB3 . . . 57 ASN HD21 . . . . . 57 ASN HB3 . . rr_1kwj 1 1009 1 . . 1 1 57 57 ASN HB3 H . . . 1 1 57 57 ASN HD22 H . . . . . . . 5.4 . . . . . A . 57 ASN HB3 . . A . 57 ASN HD22 . . . 57 ASN HB3 . . . . . 57 ASN HD22 . . rr_1kwj 1 1010 1 . . 1 1 58 58 GLY H H . . . 1 1 57 57 ASN HB3 H . . . . . . . 5.5 . . . . . A . 58 GLY H . . A . 57 ASN HB3 . . . 58 GLY HN . . . . . 57 ASN HB3 . . rr_1kwj 1 1011 1 . . 1 1 59 59 PRO HA H . . . 1 1 60 60 THR H H . . . . . . . 5.5 . . . . . A . 59 PRO HA . . A . 60 THR H . . . 59 PRO HA . . . . . 60 THR HN . . rr_1kwj 1 1012 1 . . 1 1 59 59 PRO HA H . . . 1 1 61 61 LYS H H . . . . . . . 5.5 . . . . . A . 59 PRO HA . . A . 61 LYS H . . . 59 PRO HA . . . . . 61 LYS+ HN . . rr_1kwj 1 1013 1 OR . 1 1 59 59 PRO HB2 H . . . 1 1 59 59 PRO HD2 H . . . . . . . 6.0 . . . . . A . 59 PRO HB2 . . A . 59 PRO HD2 . . . 59 PRO HB2 . . . . . 59 PRO QD . . rr_1kwj 1 1013 2 OR . 1 1 59 59 PRO HB2 H . . . 1 1 59 59 PRO HD3 H . . . . . . . 6.0 . . . . . A . 59 PRO HB2 . . A . 59 PRO HD3 . . . 59 PRO HB2 . . . . . 59 PRO QD . . rr_1kwj 1 1014 1 . . 1 1 60 60 THR H H . . . 1 1 59 59 PRO HB2 H . . . . . . . 4.7 . . . . . A . 60 THR H . . A . 59 PRO HB2 . . . 60 THR HN . . . . . 59 PRO HB2 . . rr_1kwj 1 1015 1 . . 1 1 59 59 PRO HB2 H . . . 1 1 64 64 GLY H H . . . . . . . 3.9 . . . . . A . 59 PRO HB2 . . A . 64 GLY H . . . 59 PRO HB2 . . . . . 64 GLY HN . . rr_1kwj 1 1016 1 . . 1 1 59 59 PRO HB2 H . . . 1 1 64 64 GLY HA2 H . . . . . . . 4.2 . . . . . A . 59 PRO HB2 . . A . 64 GLY HA2 . . . 59 PRO HB2 . . . . . 64 GLY HA1 . . rr_1kwj 1 1017 1 . . 1 1 59 59 PRO HB2 H . . . 1 1 64 64 GLY HA3 H . . . . . . . 3.5 . . . . . A . 59 PRO HB2 . . A . 64 GLY HA3 . . . 59 PRO HB2 . . . . . 64 GLY HA2 . . rr_1kwj 1 1018 1 . . 1 1 59 59 PRO HB2 H . . . 1 1 65 65 CYS H H . . . . . . . 5.5 . . . . . A . 59 PRO HB2 . . A . 65 CYS H . . . 59 PRO HB2 . . . . . 65 CYSS HN . . rr_1kwj 1 1019 1 OR . 1 1 59 59 PRO HB3 H . . . 1 1 59 59 PRO HD2 H . . . . . . . 6.5 . . . . . A . 59 PRO HB3 . . A . 59 PRO HD2 . . . 59 PRO HB3 . . . . . 59 PRO QD . . rr_1kwj 1 1019 2 OR . 1 1 59 59 PRO HD3 H . . . 1 1 59 59 PRO HB3 H . . . . . . . 6.5 . . . . . A . 59 PRO HD3 . . A . 59 PRO HB3 . . . 59 PRO QD . . . . . 59 PRO HB3 . . rr_1kwj 1 1020 1 . . 1 1 64 64 GLY HA2 H . . . 1 1 59 59 PRO HB3 H . . . . . . . 4.6 . . . . . A . 64 GLY HA2 . . A . 59 PRO HB3 . . . 64 GLY HA1 . . . . . 59 PRO HB3 . . rr_1kwj 1 1021 1 . . 1 1 60 60 THR H H . . . 1 1 60 60 THR HA H . . . . . . . 4.4 . . . . . A . 60 THR H . . A . 60 THR HA . . . 60 THR HN . . . . . 60 THR HA . . rr_1kwj 1 1022 1 . . 1 1 60 60 THR H H . . . 1 1 60 60 THR HB H . . . . . . . 5.3 . . . . . A . 60 THR H . . A . 60 THR HB . . . 60 THR HN . . . . . 60 THR HB . . rr_1kwj 1 1023 1 . . 1 1 60 60 THR H H . . . 1 1 61 61 LYS H H . . . . . . . 4.1 . . . . . A . 60 THR H . . A . 61 LYS H . . . 60 THR HN . . . . . 61 LYS+ HN . . rr_1kwj 1 1024 1 . . 1 1 60 60 THR HA H . . . 1 1 60 60 THR HB H . . . . . . . 4.2 . . . . . A . 60 THR HA . . A . 60 THR HB . . . 60 THR HA . . . . . 60 THR HB . . rr_1kwj 1 1025 1 . . 1 1 61 61 LYS H H . . . 1 1 60 60 THR HA H . . . . . . . 4.2 . . . . . A . 61 LYS H . . A . 60 THR HA . . . 61 LYS+ HN . . . . . 60 THR HA . . rr_1kwj 1 1026 1 . . 1 1 61 61 LYS H H . . . 1 1 60 60 THR HB H . . . . . . . 5.5 . . . . . A . 61 LYS H . . A . 60 THR HB . . . 61 LYS+ HN . . . . . 60 THR HB . . rr_1kwj 1 1027 1 . . 1 1 61 61 LYS H H . . . 1 1 61 61 LYS HA H . . . . . . . 4.2 . . . . . A . 61 LYS H . . A . 61 LYS HA . . . 61 LYS+ HN . . . . . 61 LYS+ HA . . rr_1kwj 1 1028 1 . . 1 1 61 61 LYS H H . . . 1 1 61 61 LYS HB2 H . . . . . . . 4.1 . . . . . A . 61 LYS H . . A . 61 LYS HB2 . . . 61 LYS+ HN . . . . . 61 LYS+ HB2 . . rr_1kwj 1 1029 1 . . 1 1 61 61 LYS H H . . . 1 1 61 61 LYS HB3 H . . . . . . . 3.3 . . . . . A . 61 LYS H . . A . 61 LYS HB3 . . . 61 LYS+ HN . . . . . 61 LYS+ HB3 . . rr_1kwj 1 1030 1 OR . 1 1 61 61 LYS H H . . . 1 1 61 61 LYS HG2 H . . . . . . . 6.4 . . . . . A . 61 LYS H . . A . 61 LYS HG2 . . . 61 LYS+ HN . . . . . 61 LYS+ QG . . rr_1kwj 1 1030 2 OR . 1 1 61 61 LYS H H . . . 1 1 61 61 LYS HG3 H . . . . . . . 6.4 . . . . . A . 61 LYS H . . A . 61 LYS HG3 . . . 61 LYS+ HN . . . . . 61 LYS+ QG . . rr_1kwj 1 1031 1 . . 1 1 61 61 LYS H H . . . 1 1 62 62 CYS H H . . . . . . . 5.5 . . . . . A . 61 LYS H . . A . 62 CYS H . . . 61 LYS+ HN . . . . . 62 CYSS HN . . rr_1kwj 1 1032 1 . . 1 1 61 61 LYS H H . . . 1 1 64 64 GLY H H . . . . . . . 5.0 . . . . . A . 61 LYS H . . A . 64 GLY H . . . 61 LYS+ HN . . . . . 64 GLY HN . . rr_1kwj 1 1033 1 . . 1 1 61 61 LYS HA H . . . 1 1 61 61 LYS HB2 H . . . . . . . 3.6 . . . . . A . 61 LYS HA . . A . 61 LYS HB2 . . . 61 LYS+ HA . . . . . 61 LYS+ HB2 . . rr_1kwj 1 1034 1 . . 1 1 61 61 LYS HA H . . . 1 1 61 61 LYS HB3 H . . . . . . . 3.6 . . . . . A . 61 LYS HA . . A . 61 LYS HB3 . . . 61 LYS+ HA . . . . . 61 LYS+ HB3 . . rr_1kwj 1 1035 1 OR . 1 1 61 61 LYS HA H . . . 1 1 61 61 LYS HG2 H . . . . . . . 4.9 . . . . . A . 61 LYS HA . . A . 61 LYS HG2 . . . 61 LYS+ HA . . . . . 61 LYS+ QG . . rr_1kwj 1 1035 2 OR . 1 1 61 61 LYS HA H . . . 1 1 61 61 LYS HG3 H . . . . . . . 4.9 . . . . . A . 61 LYS HA . . A . 61 LYS HG3 . . . 61 LYS+ HA . . . . . 61 LYS+ QG . . rr_1kwj 1 1036 1 . . 1 1 61 61 LYS HA H . . . 1 1 62 62 CYS H H . . . . . . . 3.3 . . . . . A . 61 LYS HA . . A . 62 CYS H . . . 61 LYS+ HA . . . . . 62 CYSS HN . . rr_1kwj 1 1037 1 . . 1 1 61 61 LYS HA H . . . 1 1 62 62 CYS HB2 H . . . . . . . 5.2 . . . . . A . 61 LYS HA . . A . 62 CYS HB2 . . . 61 LYS+ HA . . . . . 62 CYSS HB2 . . rr_1kwj 1 1038 1 OR . 1 1 61 61 LYS HB2 H . . . 1 1 61 61 LYS HG2 H . . . . . . . 4.2 . . . . . A . 61 LYS HB2 . . A . 61 LYS HG2 . . . 61 LYS+ HB2 . . . . . 61 LYS+ QG . . rr_1kwj 1 1038 2 OR . 1 1 61 61 LYS HB2 H . . . 1 1 61 61 LYS HG3 H . . . . . . . 4.2 . . . . . A . 61 LYS HB2 . . A . 61 LYS HG3 . . . 61 LYS+ HB2 . . . . . 61 LYS+ QG . . rr_1kwj 1 1039 1 . . 1 1 61 61 LYS HB2 H . . . 1 1 62 62 CYS H H . . . . . . . 3.9 . . . . . A . 61 LYS HB2 . . A . 62 CYS H . . . 61 LYS+ HB2 . . . . . 62 CYSS HN . . rr_1kwj 1 1040 1 . . 1 1 61 61 LYS HB2 H . . . 1 1 63 63 GLY H H . . . . . . . 5.5 . . . . . A . 61 LYS HB2 . . A . 63 GLY H . . . 61 LYS+ HB2 . . . . . 63 GLY HN . . rr_1kwj 1 1041 1 . . 1 1 64 64 GLY H H . . . 1 1 61 61 LYS HB2 H . . . . . . . 5.5 . . . . . A . 64 GLY H . . A . 61 LYS HB2 . . . 64 GLY HN . . . . . 61 LYS+ HB2 . . rr_1kwj 1 1042 1 OR . 1 1 61 61 LYS HB3 H . . . 1 1 61 61 LYS HG2 H . . . . . . . 3.9 . . . . . A . 61 LYS HB3 . . A . 61 LYS HG2 . . . 61 LYS+ HB3 . . . . . 61 LYS+ QG . . rr_1kwj 1 1042 2 OR . 1 1 61 61 LYS HB3 H . . . 1 1 61 61 LYS HG3 H . . . . . . . 3.9 . . . . . A . 61 LYS HB3 . . A . 61 LYS HG3 . . . 61 LYS+ HB3 . . . . . 61 LYS+ QG . . rr_1kwj 1 1043 1 OR . 1 1 61 61 LYS HB3 H . . . 1 1 61 61 LYS HD2 H . . . . . . . 6.5 . . . . . A . 61 LYS HB3 . . A . 61 LYS HD2 . . . 61 LYS+ HB3 . . . . . 61 LYS+ QD . . rr_1kwj 1 1043 2 OR . 1 1 61 61 LYS HB3 H . . . 1 1 61 61 LYS HD3 H . . . . . . . 6.5 . . . . . A . 61 LYS HB3 . . A . 61 LYS HD3 . . . 61 LYS+ HB3 . . . . . 61 LYS+ QD . . rr_1kwj 1 1044 1 . . 1 1 61 61 LYS HB3 H . . . 1 1 62 62 CYS H H . . . . . . . 4.3 . . . . . A . 61 LYS HB3 . . A . 62 CYS H . . . 61 LYS+ HB3 . . . . . 62 CYSS HN . . rr_1kwj 1 1045 1 . . 1 1 61 61 LYS HB3 H . . . 1 1 63 63 GLY H H . . . . . . . 5.5 . . . . . A . 61 LYS HB3 . . A . 63 GLY H . . . 61 LYS+ HB3 . . . . . 63 GLY HN . . rr_1kwj 1 1046 1 OR . 1 1 61 61 LYS HD2 H . . . 1 1 61 61 LYS HG2 H . . . . . . . 7.5 . . . . . A . 61 LYS HD2 . . A . 61 LYS HG2 . . . 61 LYS+ QD . . . . . 61 LYS+ QG . . rr_1kwj 1 1046 2 OR . 1 1 61 61 LYS HD3 H . . . 1 1 61 61 LYS HG2 H . . . . . . . 7.5 . . . . . A . 61 LYS HD3 . . A . 61 LYS HG2 . . . 61 LYS+ QD . . . . . 61 LYS+ QG . . rr_1kwj 1 1046 3 OR . 1 1 61 61 LYS HG3 H . . . 1 1 61 61 LYS HD2 H . . . . . . . 7.5 . . . . . A . 61 LYS HG3 . . A . 61 LYS HD2 . . . 61 LYS+ QG . . . . . 61 LYS+ QD . . rr_1kwj 1 1046 4 OR . 1 1 61 61 LYS HG3 H . . . 1 1 61 61 LYS HD3 H . . . . . . . 7.5 . . . . . A . 61 LYS HG3 . . A . 61 LYS HD3 . . . 61 LYS+ QG . . . . . 61 LYS+ QD . . rr_1kwj 1 1047 1 OR . 1 1 62 62 CYS H H . . . 1 1 61 61 LYS HG2 H . . . . . . . 6.4 . . . . . A . 62 CYS H . . A . 61 LYS HG2 . . . 62 CYSS HN . . . . . 61 LYS+ QG . . rr_1kwj 1 1047 2 OR . 1 1 61 61 LYS HG3 H . . . 1 1 62 62 CYS H H . . . . . . . 6.4 . . . . . A . 61 LYS HG3 . . A . 62 CYS H . . . 61 LYS+ QG . . . . . 62 CYSS HN . . rr_1kwj 1 1048 1 . . 1 1 62 62 CYS H H . . . 1 1 62 62 CYS HA H . . . . . . . 3.9 . . . . . A . 62 CYS H . . A . 62 CYS HA . . . 62 CYSS HN . . . . . 62 CYSS HA . . rr_1kwj 1 1049 1 . . 1 1 62 62 CYS H H . . . 1 1 62 62 CYS HB2 H . . . . . . . 3.9 . . . . . A . 62 CYS H . . A . 62 CYS HB2 . . . 62 CYSS HN . . . . . 62 CYSS HB2 . . rr_1kwj 1 1050 1 . . 1 1 62 62 CYS H H . . . 1 1 62 62 CYS HB3 H . . . . . . . 4.4 . . . . . A . 62 CYS H . . A . 62 CYS HB3 . . . 62 CYSS HN . . . . . 62 CYSS HB3 . . rr_1kwj 1 1051 1 . . 1 1 62 62 CYS H H . . . 1 1 63 63 GLY H H . . . . . . . 5.4 . . . . . A . 62 CYS H . . A . 63 GLY H . . . 62 CYSS HN . . . . . 63 GLY HN . . rr_1kwj 1 1052 1 . . 1 1 64 64 GLY H H . . . 1 1 62 62 CYS H H . . . . . . . 5.3 . . . . . A . 64 GLY H . . A . 62 CYS H . . . 64 GLY HN . . . . . 62 CYSS HN . . rr_1kwj 1 1053 1 . . 1 1 62 62 CYS HB2 H . . . 1 1 62 62 CYS HA H . . . . . . . 3.7 . . . . . A . 62 CYS HB2 . . A . 62 CYS HA . . . 62 CYSS HB2 . . . . . 62 CYSS HA . . rr_1kwj 1 1054 1 . . 1 1 62 62 CYS HA H . . . 1 1 62 62 CYS HB3 H . . . . . . . 2.6 . . . . . A . 62 CYS HA . . A . 62 CYS HB3 . . . 62 CYSS HA . . . . . 62 CYSS HB3 . . rr_1kwj 1 1055 1 . . 1 1 63 63 GLY H H . . . 1 1 62 62 CYS HA H . . . . . . . 3.9 . . . . . A . 63 GLY H . . A . 62 CYS HA . . . 63 GLY HN . . . . . 62 CYSS HA . . rr_1kwj 1 1056 1 . . 1 1 62 62 CYS HA H . . . 1 1 63 63 GLY HA2 H . . . . . . . 5.0 . . . . . A . 62 CYS HA . . A . 63 GLY HA2 . . . 62 CYSS HA . . . . . 63 GLY HA1 . . rr_1kwj 1 1057 1 . . 1 1 62 62 CYS HA H . . . 1 1 63 63 GLY HA3 H . . . . . . . 5.1 . . . . . A . 62 CYS HA . . A . 63 GLY HA3 . . . 62 CYSS HA . . . . . 63 GLY HA2 . . rr_1kwj 1 1058 1 . . 1 1 62 62 CYS HB2 H . . . 1 1 63 63 GLY H H . . . . . . . 5.5 . . . . . A . 62 CYS HB2 . . A . 63 GLY H . . . 62 CYSS HB2 . . . . . 63 GLY HN . . rr_1kwj 1 1059 1 . . 1 1 64 64 GLY H H . . . 1 1 62 62 CYS HB2 H . . . . . . . 5.5 . . . . . A . 64 GLY H . . A . 62 CYS HB2 . . . 64 GLY HN . . . . . 62 CYSS HB2 . . rr_1kwj 1 1060 1 . . 1 1 65 65 CYS H H . . . 1 1 62 62 CYS HB2 H . . . . . . . 5.5 . . . . . A . 65 CYS H . . A . 62 CYS HB2 . . . 65 CYSS HN . . . . . 62 CYSS HB2 . . rr_1kwj 1 1061 1 . . 1 1 63 63 GLY H H . . . 1 1 62 62 CYS HB3 H . . . . . . . 5.0 . . . . . A . 63 GLY H . . A . 62 CYS HB3 . . . 63 GLY HN . . . . . 62 CYSS HB3 . . rr_1kwj 1 1062 1 . . 1 1 62 62 CYS HB3 H . . . 1 1 63 63 GLY HA3 H . . . . . . . 5.5 . . . . . A . 62 CYS HB3 . . A . 63 GLY HA3 . . . 62 CYSS HB3 . . . . . 63 GLY HA2 . . rr_1kwj 1 1063 1 . . 1 1 63 63 GLY H H . . . 1 1 63 63 GLY HA2 H . . . . . . . 3.9 . . . . . A . 63 GLY H . . A . 63 GLY HA2 . . . 63 GLY HN . . . . . 63 GLY HA1 . . rr_1kwj 1 1064 1 . . 1 1 63 63 GLY H H . . . 1 1 63 63 GLY HA3 H . . . . . . . 3.6 . . . . . A . 63 GLY H . . A . 63 GLY HA3 . . . 63 GLY HN . . . . . 63 GLY HA2 . . rr_1kwj 1 1065 1 . . 1 1 64 64 GLY H H . . . 1 1 63 63 GLY H H . . . . . . . 4.3 . . . . . A . 64 GLY H . . A . 63 GLY H . . . 64 GLY HN . . . . . 63 GLY HN . . rr_1kwj 1 1066 1 . . 1 1 64 64 GLY H H . . . 1 1 63 63 GLY HA2 H . . . . . . . 4.8 . . . . . A . 64 GLY H . . A . 63 GLY HA2 . . . 64 GLY HN . . . . . 63 GLY HA1 . . rr_1kwj 1 1067 1 . . 1 1 65 65 CYS H H . . . 1 1 63 63 GLY HA2 H . . . . . . . 5.5 . . . . . A . 65 CYS H . . A . 63 GLY HA2 . . . 65 CYSS HN . . . . . 63 GLY HA1 . . rr_1kwj 1 1068 1 . . 1 1 64 64 GLY H H . . . 1 1 63 63 GLY HA3 H . . . . . . . 4.2 . . . . . A . 64 GLY H . . A . 63 GLY HA3 . . . 64 GLY HN . . . . . 63 GLY HA2 . . rr_1kwj 1 1069 1 . . 1 1 65 65 CYS H H . . . 1 1 63 63 GLY HA3 H . . . . . . . 5.5 . . . . . A . 65 CYS H . . A . 63 GLY HA3 . . . 65 CYSS HN . . . . . 63 GLY HA2 . . rr_1kwj 1 1070 1 . . 1 1 64 64 GLY H H . . . 1 1 64 64 GLY HA2 H . . . . . . . 3.4 . . . . . A . 64 GLY H . . A . 64 GLY HA2 . . . 64 GLY HN . . . . . 64 GLY HA1 . . rr_1kwj 1 1071 1 . . 1 1 64 64 GLY H H . . . 1 1 64 64 GLY HA3 H . . . . . . . 3.1 . . . . . A . 64 GLY H . . A . 64 GLY HA3 . . . 64 GLY HN . . . . . 64 GLY HA2 . . rr_1kwj 1 1072 1 . . 1 1 64 64 GLY H H . . . 1 1 65 65 CYS H H . . . . . . . 3.2 . . . . . A . 64 GLY H . . A . 65 CYS H . . . 64 GLY HN . . . . . 65 CYSS HN . . rr_1kwj 1 1073 1 . . 1 1 64 64 GLY HA3 H . . . 1 1 65 65 CYS H H . . . . . . . 4.3 . . . . . A . 64 GLY HA3 . . A . 65 CYS H . . . 64 GLY HA2 . . . . . 65 CYSS HN . . rr_1kwj 1 1074 1 . . 1 1 65 65 CYS HA H . . . 1 1 65 65 CYS H H . . . . . . . 5.3 . . . . . A . 65 CYS HA . . A . 65 CYS H . . . 65 CYSS HA . . . . . 65 CYSS HN . . rr_1kwj 1 1075 1 . . 1 1 65 65 CYS HB2 H . . . 1 1 65 65 CYS H H . . . . . . . 4.5 . . . . . A . 65 CYS HB2 . . A . 65 CYS H . . . 65 CYSS HB2 . . . . . 65 CYSS HN . . rr_1kwj 1 1076 1 . . 1 1 65 65 CYS HB3 H . . . 1 1 65 65 CYS H H . . . . . . . 4.9 . . . . . A . 65 CYS HB3 . . A . 65 CYS H . . . 65 CYSS HB3 . . . . . 65 CYSS HN . . rr_1kwj 1 1077 1 . . 1 1 65 65 CYS HA H . . . 1 1 65 65 CYS HB2 H . . . . . . . 4.2 . . . . . A . 65 CYS HA . . A . 65 CYS HB2 . . . 65 CYSS HA . . . . . 65 CYSS HB2 . . rr_1kwj 1 1078 1 . . 1 1 65 65 CYS HA H . . . 1 1 65 65 CYS HB3 H . . . . . . . 3.8 . . . . . A . 65 CYS HA . . A . 65 CYS HB3 . . . 65 CYSS HA . . . . . 65 CYSS HB3 . . rr_1kwj 1 1079 1 . . 1 1 67 67 ILE H H . . . 1 1 67 67 ILE HA H . . . . . . . 3.6 . . . . . A . 67 ILE H . . A . 67 ILE HA . . . 67 ILE HN . . . . . 67 ILE HA . . rr_1kwj 1 1080 1 . . 1 1 67 67 ILE H H . . . 1 1 67 67 ILE HB H . . . . . . . 3.3 . . . . . A . 67 ILE H . . A . 67 ILE HB . . . 67 ILE HN . . . . . 67 ILE HB . . rr_1kwj 1 1081 1 . . 1 1 67 67 ILE H H . . . 1 1 67 67 ILE HG12 H . . . . . . . 4.0 . . . . . A . 67 ILE H . . A . 67 ILE HG12 . . . 67 ILE HN . . . . . 67 ILE HG12 . . rr_1kwj 1 1082 1 . . 1 1 67 67 ILE H H . . . 1 1 67 67 ILE HG13 H . . . . . . . 3.5 . . . . . A . 67 ILE H . . A . 67 ILE HG13 . . . 67 ILE HN . . . . . 67 ILE HG13 . . rr_1kwj 1 1083 1 OR . 1 1 67 67 ILE H H . . . 1 1 67 67 ILE HG13 H . . . . . . . 6.5 . . . . . A . 67 ILE H . . A . 67 ILE HG13 . . . 67 ILE HN . . . . . 67 ILE QG1 . . rr_1kwj 1 1083 2 OR . 1 1 67 67 ILE H H . . . 1 1 67 67 ILE HG12 H . . . . . . . 6.5 . . . . . A . 67 ILE H . . A . 67 ILE HG12 . . . 67 ILE HN . . . . . 67 ILE QG1 . . rr_1kwj 1 1084 1 . . 1 1 67 67 ILE H H . . . 1 1 67 67 ILE MD H . . . . . . . 6.5 . . . . . A . 67 ILE H . . A . 67 ILE MD . . . 67 ILE HN . . . . . 67 ILE QD1 . . rr_1kwj 1 1085 1 . . 1 1 67 67 ILE H H . . . 1 1 68 68 LYS H H . . . . . . . 4.9 . . . . . A . 67 ILE H . . A . 68 LYS H . . . 67 ILE HN . . . . . 68 LYS+ HN . . rr_1kwj 1 1086 1 . . 1 1 67 67 ILE HA H . . . 1 1 67 67 ILE HB H . . . . . . . 3.9 . . . . . A . 67 ILE HA . . A . 67 ILE HB . . . 67 ILE HA . . . . . 67 ILE HB . . rr_1kwj 1 1087 1 . . 1 1 67 67 ILE HA H . . . 1 1 67 67 ILE HG12 H . . . . . . . 3.9 . . . . . A . 67 ILE HA . . A . 67 ILE HG12 . . . 67 ILE HA . . . . . 67 ILE HG12 . . rr_1kwj 1 1088 1 . . 1 1 67 67 ILE HA H . . . 1 1 67 67 ILE HG13 H . . . . . . . 4.0 . . . . . A . 67 ILE HA . . A . 67 ILE HG13 . . . 67 ILE HA . . . . . 67 ILE HG13 . . rr_1kwj 1 1089 1 OR . 1 1 67 67 ILE HA H . . . 1 1 67 67 ILE HG13 H . . . . . . . 4.2 . . . . . A . 67 ILE HA . . A . 67 ILE HG13 . . . 67 ILE HA . . . . . 67 ILE QG1 . . rr_1kwj 1 1089 2 OR . 1 1 67 67 ILE HA H . . . 1 1 67 67 ILE HG12 H . . . . . . . 4.2 . . . . . A . 67 ILE HA . . A . 67 ILE HG12 . . . 67 ILE HA . . . . . 67 ILE QG1 . . rr_1kwj 1 1090 1 . . 1 1 67 67 ILE HA H . . . 1 1 67 67 ILE MD H . . . . . . . 4.6 . . . . . A . 67 ILE HA . . A . 67 ILE MD . . . 67 ILE HA . . . . . 67 ILE QD1 . . rr_1kwj 1 1091 1 . . 1 1 67 67 ILE HA H . . . 1 1 68 68 LYS H H . . . . . . . 2.9 . . . . . A . 67 ILE HA . . A . 68 LYS H . . . 67 ILE HA . . . . . 68 LYS+ HN . . rr_1kwj 1 1092 1 . . 1 1 67 67 ILE HB H . . . 1 1 67 67 ILE HG12 H . . . . . . . 3.3 . . . . . A . 67 ILE HB . . A . 67 ILE HG12 . . . 67 ILE HB . . . . . 67 ILE HG12 . . rr_1kwj 1 1093 1 . . 1 1 67 67 ILE HB H . . . 1 1 67 67 ILE HG13 H . . . . . . . 3.8 . . . . . A . 67 ILE HB . . A . 67 ILE HG13 . . . 67 ILE HB . . . . . 67 ILE HG13 . . rr_1kwj 1 1094 1 OR . 1 1 67 67 ILE HB H . . . 1 1 67 67 ILE HG13 H . . . . . . . 4.2 . . . . . A . 67 ILE HB . . A . 67 ILE HG13 . . . 67 ILE HB . . . . . 67 ILE QG1 . . rr_1kwj 1 1094 2 OR . 1 1 67 67 ILE HB H . . . 1 1 67 67 ILE HG12 H . . . . . . . 4.2 . . . . . A . 67 ILE HB . . A . 67 ILE HG12 . . . 67 ILE HB . . . . . 67 ILE QG1 . . rr_1kwj 1 1095 1 . . 1 1 67 67 ILE HB H . . . 1 1 67 67 ILE MD H . . . . . . . 6.1 . . . . . A . 67 ILE HB . . A . 67 ILE MD . . . 67 ILE HB . . . . . 67 ILE QD1 . . rr_1kwj 1 1096 1 . . 1 1 67 67 ILE HB H . . . 1 1 68 68 LYS H H . . . . . . . 4.9 . . . . . A . 67 ILE HB . . A . 68 LYS H . . . 67 ILE HB . . . . . 68 LYS+ HN . . rr_1kwj 1 1097 1 . . 1 1 68 68 LYS HA H . . . 1 1 67 67 ILE HB H . . . . . . . 5.0 . . . . . A . 68 LYS HA . . A . 67 ILE HB . . . 68 LYS+ HA . . . . . 67 ILE HB . . rr_1kwj 1 1098 1 . . 1 1 67 67 ILE HG12 H . . . 1 1 67 67 ILE HG13 H . . . . . . . 5.6 . . . . . A . 67 ILE HG12 . . A . 67 ILE HG13 . . . 67 ILE QG1 . . . . . 67 ILE HG12 . . rr_1kwj 1 1099 1 . . 1 1 67 67 ILE HG12 H . . . 1 1 67 67 ILE MD H . . . . . . . 4.8 . . . . . A . 67 ILE HG12 . . A . 67 ILE MD . . . 67 ILE HG12 . . . . . 67 ILE QD1 . . rr_1kwj 1 1100 1 . . 1 1 67 67 ILE HG12 H . . . 1 1 67 67 ILE HG13 H . . . . . . . 6.0 . . . . . A . 67 ILE HG12 . . A . 67 ILE HG13 . . . 67 ILE QG1 . . . . . 67 ILE HG13 . . rr_1kwj 1 1101 1 . . 1 1 67 67 ILE MD H . . . 1 1 67 67 ILE HG13 H . . . . . . . 5.1 . . . . . A . 67 ILE MD . . A . 67 ILE HG13 . . . 67 ILE QD1 . . . . . 67 ILE HG13 . . rr_1kwj 1 1102 1 OR . 1 1 67 67 ILE MD H . . . 1 1 67 67 ILE HG13 H . . . . . . . 5.5 . . . . . A . 67 ILE MD . . A . 67 ILE HG13 . . . 67 ILE QD1 . . . . . 67 ILE QG1 . . rr_1kwj 1 1102 2 OR . 1 1 67 67 ILE HG12 H . . . 1 1 67 67 ILE MD H . . . . . . . 5.5 . . . . . A . 67 ILE HG12 . . A . 67 ILE MD . . . 67 ILE QG1 . . . . . 67 ILE QD1 . . rr_1kwj 1 1103 1 OR . 1 1 68 68 LYS H H . . . 1 1 67 67 ILE HG13 H . . . . . . . 5.7 . . . . . A . 68 LYS H . . A . 67 ILE HG13 . . . 68 LYS+ HN . . . . . 67 ILE QG1 . . rr_1kwj 1 1103 2 OR . 1 1 67 67 ILE HG12 H . . . 1 1 68 68 LYS H H . . . . . . . 5.7 . . . . . A . 67 ILE HG12 . . A . 68 LYS H . . . 67 ILE QG1 . . . . . 68 LYS+ HN . . rr_1kwj 1 1104 1 . . 1 1 67 67 ILE MD H . . . 1 1 68 68 LYS H H . . . . . . . 6.5 . . . . . A . 67 ILE MD . . A . 68 LYS H . . . 67 ILE QD1 . . . . . 68 LYS+ HN . . rr_1kwj 1 1105 1 . . 1 1 68 68 LYS HA H . . . 1 1 68 68 LYS H H . . . . . . . 4.3 . . . . . A . 68 LYS HA . . A . 68 LYS H . . . 68 LYS+ HA . . . . . 68 LYS+ HN . . rr_1kwj 1 1106 1 . . 1 1 68 68 LYS HB2 H . . . 1 1 68 68 LYS H H . . . . . . . 4.1 . . . . . A . 68 LYS HB2 . . A . 68 LYS H . . . 68 LYS+ HB2 . . . . . 68 LYS+ HN . . rr_1kwj 1 1107 1 . . 1 1 68 68 LYS H H . . . 1 1 68 68 LYS HB3 H . . . . . . . 3.6 . . . . . A . 68 LYS H . . A . 68 LYS HB3 . . . 68 LYS+ HN . . . . . 68 LYS+ HB3 . . rr_1kwj 1 1108 1 . . 1 1 68 68 LYS H H . . . 1 1 68 68 LYS HG2 H . . . . . . . 3.5 . . . . . A . 68 LYS H . . A . 68 LYS HG2 . . . 68 LYS+ HN . . . . . 68 LYS+ HG2 . . rr_1kwj 1 1109 1 . . 1 1 68 68 LYS HA H . . . 1 1 68 68 LYS HB2 H . . . . . . . 3.8 . . . . . A . 68 LYS HA . . A . 68 LYS HB2 . . . 68 LYS+ HA . . . . . 68 LYS+ HB2 . . rr_1kwj 1 1110 1 . . 1 1 68 68 LYS HA H . . . 1 1 68 68 LYS HB3 H . . . . . . . 4.2 . . . . . A . 68 LYS HA . . A . 68 LYS HB3 . . . 68 LYS+ HA . . . . . 68 LYS+ HB3 . . rr_1kwj 1 1111 1 . . 1 1 68 68 LYS HA H . . . 1 1 68 68 LYS HG2 H . . . . . . . 3.2 . . . . . A . 68 LYS HA . . A . 68 LYS HG2 . . . 68 LYS+ HA . . . . . 68 LYS+ HG2 . . rr_1kwj 1 1112 1 . . 1 1 68 68 LYS HB2 H . . . 1 1 68 68 LYS HG2 H . . . . . . . 2.5 . . . . . A . 68 LYS HB2 . . A . 68 LYS HG2 . . . 68 LYS+ HB2 . . . . . 68 LYS+ HG2 . . rr_1kwj 1 1113 1 . . 1 1 68 68 LYS HB3 H . . . 1 1 68 68 LYS HG2 H . . . . . . . 3.0 . . . . . A . 68 LYS HB3 . . A . 68 LYS HG2 . . . 68 LYS+ HB3 . . . . . 68 LYS+ HG2 . . rr_1kwj 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 76 1 "Not handling restraint 76, item 1, resonance(s) ' .69.HB63' (nmrStar names) not linked" rr_1kwj 1 2 2 87 1 "Not handling restraint 87, item 1, resonance(s) ' .69.HB63' (nmrStar names) not linked" rr_1kwj 1 3 2 98 1 "Not handling restraint 98, item 1, resonance(s) ' .69.HB63' (nmrStar names) not linked" rr_1kwj 1 4 2 99 1 "Not handling restraint 99, item 1, resonance(s) ' .69.HB64' (nmrStar names) not linked" rr_1kwj 1 5 2 155 1 "Not handling restraint 155, item 1, resonance(s) ' .71.HA61' (nmrStar names) not linked" rr_1kwj 1 6 2 156 1 "Not handling restraint 156, item 1, resonance(s) ' .71.HB63' (nmrStar names) not linked" rr_1kwj 1 7 2 157 1 "Not handling restraint 157, item 1, resonance(s) ' .71.HB64' (nmrStar names) not linked" rr_1kwj 1 8 2 166 1 "Not handling restraint 166, item 1, resonance(s) ' .71.HA61' (nmrStar names) not linked" rr_1kwj 1 9 2 167 1 "Not handling restraint 167, item 1, resonance(s) ' .71.HA62' (nmrStar names) not linked" rr_1kwj 1 10 2 168 1 "Not handling restraint 168, item 1, resonance(s) ' .71.HB63' (nmrStar names) not linked" rr_1kwj 1 11 2 169 1 "Not handling restraint 169, item 1, resonance(s) ' .71.HB64' (nmrStar names) not linked" rr_1kwj 1 12 2 181 1 "Not handling restraint 181, item 1, resonance(s) ' .70.QM1' (nmrStar names) not linked" rr_1kwj 1 13 2 182 1 "Not handling restraint 182, item 1, resonance(s) ' .70.QT2' (nmrStar names) not linked" rr_1kwj 1 14 2 188 1 "Not handling restraint 188, item 1, resonance(s) ' .69.HB63' (nmrStar names) not linked" rr_1kwj 1 15 2 195 1 "Not handling restraint 195, item 1, resonance(s) ' .70.QM1' (nmrStar names) not linked" rr_1kwj 1 16 2 196 1 "Not handling restraint 196, item 1, resonance(s) ' .70.QT2' (nmrStar names) not linked" rr_1kwj 1 17 2 239 1 "Not handling restraint 239, item 1, resonance(s) ' .71.HB74' (nmrStar names) not linked" rr_1kwj 1 18 2 244 1 "Not handling restraint 244, item 1, resonance(s) ' .71.HB73' (nmrStar names) not linked" rr_1kwj 1 19 2 245 1 "Not handling restraint 245, item 1, resonance(s) ' .71.HB74' (nmrStar names) not linked" rr_1kwj 1 20 2 246 1 "Not handling restraint 246, item 1, resonance(s) ' .71.HB63' (nmrStar names) not linked" rr_1kwj 1 21 2 247 1 "Not handling restraint 247, item 1, resonance(s) ' .71.HB64' (nmrStar names) not linked" rr_1kwj 1 22 2 253 1 "Not handling restraint 253, item 1, resonance(s) ' .71.HB73' (nmrStar names) not linked" rr_1kwj 1 23 2 254 1 "Not handling restraint 254, item 1, resonance(s) ' .71.HB74' (nmrStar names) not linked" rr_1kwj 1 24 2 255 1 "Not handling restraint 255, item 1, resonance(s) ' .71.HA62' (nmrStar names) not linked" rr_1kwj 1 25 2 261 1 "Not handling restraint 261, item 1, resonance(s) ' .71.HB74' (nmrStar names) not linked" rr_1kwj 1 26 2 262 1 "Not handling restraint 262, item 1, resonance(s) ' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 27 2 263 1 "Not handling restraint 263, item 1, resonance(s) ' .71.HB63' (nmrStar names) not linked" rr_1kwj 1 28 2 269 1 "Not handling restraint 269, item 1, resonance(s) ' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 29 2 270 1 "Not handling restraint 270, item 1, resonance(s) ' .71.HB63' (nmrStar names) not linked" rr_1kwj 1 30 2 271 1 "Not handling restraint 271, item 1, resonance(s) ' .71.HB64' (nmrStar names) not linked" rr_1kwj 1 31 2 276 1 "Not handling restraint 276, item 1, resonance(s) ' .71.HB73' (nmrStar names) not linked" rr_1kwj 1 32 2 277 1 "Not handling restraint 277, item 1, resonance(s) ' .71.HB74' (nmrStar names) not linked" rr_1kwj 1 33 2 283 1 "Not handling restraint 283, item 1, resonance(s) ' .71.HB73' (nmrStar names) not linked" rr_1kwj 1 34 2 284 1 "Not handling restraint 284, item 1, resonance(s) ' .71.HB74' (nmrStar names) not linked" rr_1kwj 1 35 2 289 1 "Not handling restraint 289, item 1, resonance(s) ' .71.HB73' (nmrStar names) not linked" rr_1kwj 1 36 2 290 1 "Not handling restraint 290, item 1, resonance(s) ' .71.HB74' (nmrStar names) not linked" rr_1kwj 1 37 2 292 1 "Not handling restraint 292, item 1, resonance(s) ' .71.HB74' (nmrStar names) not linked" rr_1kwj 1 38 2 293 1 "Not handling restraint 293, item 1, resonance(s) ' .71.QM8' (nmrStar names) not linked" rr_1kwj 1 39 2 294 1 "Not handling restraint 294, item 1, resonance(s) ' .71.QM1' (nmrStar names) not linked" rr_1kwj 1 40 2 298 1 "Not handling restraint 298, item 1, resonance(s) ' .71.HB3' (nmrStar names) not linked" rr_1kwj 1 41 2 299 1 "Not handling restraint 299, item 1, resonance(s) ' .71.HB74' (nmrStar names) not linked" rr_1kwj 1 42 2 302 1 "Not handling restraint 302, item 1, resonance(s) ' .71.HA' (nmrStar names) not linked" rr_1kwj 1 43 2 303 1 "Not handling restraint 303, item 1, resonance(s) ' .71.HB2' (nmrStar names) not linked" rr_1kwj 1 44 2 304 1 "Not handling restraint 304, item 1, resonance(s) ' .71.HB3' (nmrStar names) not linked" rr_1kwj 1 45 2 309 1 "Not handling restraint 309, item 1, resonance(s) ' .71.HA' (nmrStar names) not linked" rr_1kwj 1 46 2 310 1 "Not handling restraint 310, item 1, resonance(s) ' .71.HB2' (nmrStar names) not linked" rr_1kwj 1 47 2 311 1 "Not handling restraint 311, item 1, resonance(s) ' .71.HB3' (nmrStar names) not linked" rr_1kwj 1 48 2 321 1 "Not handling restraint 321, item 1, resonance(s) ' .71.HA' (nmrStar names) not linked" rr_1kwj 1 49 2 339 1 "Not handling restraint 339, item 1, resonance(s) ' .71.HA' (nmrStar names) not linked" rr_1kwj 1 50 2 340 1 "Not handling restraint 340, item 1, resonance(s) ' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 51 2 348 1 "Not handling restraint 348, item 1, resonance(s) ' .71.HA' (nmrStar names) not linked" rr_1kwj 1 52 2 352 1 "Not handling restraint 352, item 1, resonance(s) ' .71.HA' (nmrStar names) not linked" rr_1kwj 1 53 2 353 1 "Not handling restraint 353, item 1, resonance(s) ' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 54 2 357 1 "Not handling restraint 357, item 1, resonance(s) ' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 55 2 358 1 "Not handling restraint 358, item 1, resonance(s) ' .71.HB63' (nmrStar names) not linked" rr_1kwj 1 56 2 359 1 "Not handling restraint 359, item 1, resonance(s) ' .71.HB64' (nmrStar names) not linked" rr_1kwj 1 57 2 364 1 "Not handling restraint 364, item 1, resonance(s) ' .70.QM8' (nmrStar names) not linked" rr_1kwj 1 58 2 365 1 "Not handling restraint 365, item 1, resonance(s) ' .70.QM1' (nmrStar names) not linked" rr_1kwj 1 59 2 369 1 "Not handling restraint 369, item 1, resonance(s) ' .71.HA' (nmrStar names) not linked" rr_1kwj 1 60 2 370 1 "Not handling restraint 370, item 1, resonance(s) ' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 61 2 381 1 "Not handling restraint 381, item 1, resonance(s) ' .70.QM8' (nmrStar names) not linked" rr_1kwj 1 62 2 398 1 "Not handling restraint 398, item 1, resonance(s) ' .70.QM1' (nmrStar names) not linked" rr_1kwj 1 63 2 401 1 "Not handling restraint 401, item 1, resonance(s) ' .69.QM5' (nmrStar names) not linked" rr_1kwj 1 64 2 407 1 "Not handling restraint 407, item 1, resonance(s) ' .70.QM1' (nmrStar names) not linked" rr_1kwj 1 65 2 408 1 "Not handling restraint 408, item 1, resonance(s) ' .70.QT2' (nmrStar names) not linked" rr_1kwj 1 66 2 409 1 "Not handling restraint 409, item 1, resonance(s) ' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 67 2 411 1 "Not handling restraint 411, item 1, resonance(s) ' .70.QM1' (nmrStar names) not linked" rr_1kwj 1 68 2 412 1 "Not handling restraint 412, item 1, resonance(s) ' .70.QT2' (nmrStar names) not linked" rr_1kwj 1 69 2 413 1 "Not handling restraint 413, item 1, resonance(s) ' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 70 2 414 1 "Not handling restraint 414, item 1, resonance(s) ' .71.HB63' (nmrStar names) not linked" rr_1kwj 1 71 2 420 1 "Not handling restraint 420, item 1, resonance(s) ' .69.QM3' (nmrStar names) not linked" rr_1kwj 1 72 2 516 1 "Not handling restraint 516, item 1, resonance(s) ' .69.QM3' (nmrStar names) not linked" rr_1kwj 1 73 2 528 1 "Not handling restraint 528, item 1, resonance(s) ' .69.QM3' (nmrStar names) not linked" rr_1kwj 1 74 2 531 1 "Not handling restraint 531, item 1, resonance(s) ' .69.QM3' (nmrStar names) not linked" rr_1kwj 1 75 2 538 1 "Not handling restraint 538, item 1, resonance(s) ' .69.HT2A' (nmrStar names) not linked" rr_1kwj 1 76 2 539 1 "Not handling restraint 539, item 1, resonance(s) ' .69.QT2' (nmrStar names) not linked" rr_1kwj 1 77 2 540 1 "Not handling restraint 540, item 1, resonance(s) ' .69.QM3' (nmrStar names) not linked" rr_1kwj 1 78 2 548 1 "Not handling restraint 548, item 1, resonance(s) ' .69.HT2A' (nmrStar names) not linked" rr_1kwj 1 79 2 549 1 "Not handling restraint 549, item 1, resonance(s) ' .69.QT2' (nmrStar names) not linked" rr_1kwj 1 80 2 550 1 "Not handling restraint 550, item 1, resonance(s) ' .69.HAM' (nmrStar names) not linked" rr_1kwj 1 81 2 551 1 "Not handling restraint 551, item 1, resonance(s) ' .69.QM3' (nmrStar names) not linked" rr_1kwj 1 82 2 562 1 "Not handling restraint 562, item 1, resonance(s) ' .69.HT2A' (nmrStar names) not linked" rr_1kwj 1 83 2 563 1 "Not handling restraint 563, item 1, resonance(s) ' .69.QT2' (nmrStar names) not linked" rr_1kwj 1 84 2 564 1 "Not handling restraint 564, item 1, resonance(s) ' .69.HAM' (nmrStar names) not linked" rr_1kwj 1 85 2 565 1 "Not handling restraint 565, item 1, resonance(s) ' .69.QM3' (nmrStar names) not linked" rr_1kwj 1 86 2 579 1 "Not handling restraint 579, item 1, resonance(s) ' .69.QT2' (nmrStar names) not linked" rr_1kwj 1 87 2 630 1 "Not handling restraint 630, item 1, resonance(s) ' .69.QM3' (nmrStar names) not linked" rr_1kwj 1 88 2 643 1 "Not handling restraint 643, item 1, resonance(s) ' .69.QM3' (nmrStar names) not linked" rr_1kwj 1 89 2 650 1 "Not handling restraint 650, item 1, resonance(s) ' .69.QM3' (nmrStar names) not linked" rr_1kwj 1 90 2 651 1 "Not handling restraint 651, item 1, resonance(s) ' .70.QT4' (nmrStar names) not linked" rr_1kwj 1 91 2 656 1 "Not handling restraint 656, item 1, resonance(s) ' .69.QM3' (nmrStar names) not linked" rr_1kwj 1 92 2 657 1 "Not handling restraint 657, item 1, resonance(s) ' .69.QT4' (nmrStar names) not linked" rr_1kwj 1 93 2 658 1 "Not handling restraint 658, item 1, resonance(s) ' .70.QM3' (nmrStar names) not linked" rr_1kwj 1 94 2 659 1 "Not handling restraint 659, item 1, resonance(s) ' .70.QT4' (nmrStar names) not linked" rr_1kwj 1 95 2 660 1 "Not handling restraint 660, item 1, resonance(s) ' .70.QT4' (nmrStar names) not linked" rr_1kwj 1 96 2 661 1 "Not handling restraint 661, item 1, resonance(s) ' .70.QM5' (nmrStar names) not linked" rr_1kwj 1 97 2 665 1 "Not handling restraint 665, item 1, resonance(s) ' .69.QT2' (nmrStar names) not linked" rr_1kwj 1 98 2 666 1 "Not handling restraint 666, item 1, resonance(s) ' .69.QM3' (nmrStar names) not linked" rr_1kwj 1 99 2 671 1 "Not handling restraint 671, item 1, resonance(s) ' .69.HT2A' (nmrStar names) not linked" rr_1kwj 1 100 2 680 1 "Not handling restraint 680, item 1, resonance(s) ' .69.HT2A' (nmrStar names) not linked" rr_1kwj 1 101 2 681 1 "Not handling restraint 681, item 1, resonance(s) ' .69.QT2' (nmrStar names) not linked" rr_1kwj 1 102 2 682 1 "Not handling restraint 682, item 1, resonance(s) ' .69.HAM' (nmrStar names) not linked" rr_1kwj 1 103 2 688 1 "Not handling restraint 688, item 1, resonance(s) ' .69.HT2A' (nmrStar names) not linked" rr_1kwj 1 104 2 689 1 "Not handling restraint 689, item 1, resonance(s) ' .69.QT2' (nmrStar names) not linked" rr_1kwj 1 105 2 690 1 "Not handling restraint 690, item 1, resonance(s) ' .69.HAM' (nmrStar names) not linked" rr_1kwj 1 106 2 691 1 "Not handling restraint 691, item 1, resonance(s) ' .69.QM3' (nmrStar names) not linked" rr_1kwj 1 107 2 694 1 "Not handling restraint 694, item 1, resonance(s) ' .69.HB3' (nmrStar names) not linked" rr_1kwj 1 108 2 695 1 "Not handling restraint 695, item 1, resonance(s) ' .69.HT2A' (nmrStar names) not linked" rr_1kwj 1 109 2 698 1 "Not handling restraint 698, item 1, resonance(s) ' .69.HB2' (nmrStar names) not linked" rr_1kwj 1 110 2 699 1 "Not handling restraint 699, item 1, resonance(s) ' .69.HB3' (nmrStar names) not linked" rr_1kwj 1 111 2 700 1 "Not handling restraint 700, item 1, resonance(s) ' .69.QM1' (nmrStar names) not linked" rr_1kwj 1 112 2 701 1 "Not handling restraint 701, item 1, resonance(s) ' .69.HT2A' (nmrStar names) not linked" rr_1kwj 1 113 2 702 1 "Not handling restraint 702, item 1, resonance(s) ' .69.QT2' (nmrStar names) not linked" rr_1kwj 1 114 2 709 1 "Not handling restraint 709, item 1, resonance(s) ' .69.HN' (nmrStar names) not linked" rr_1kwj 1 115 2 710 1 "Not handling restraint 710, item 1, resonance(s) ' .69.HT2A' (nmrStar names) not linked" rr_1kwj 1 116 2 715 1 "Not handling restraint 715, item 1, resonance(s) ' .69.HN' (nmrStar names) not linked" rr_1kwj 1 117 2 716 1 "Not handling restraint 716, item 1, resonance(s) ' .69.HA' (nmrStar names) not linked" rr_1kwj 1 118 2 717 1 "Not handling restraint 717, item 1, resonance(s) ' .69.HB2' (nmrStar names) not linked" rr_1kwj 1 119 2 718 1 "Not handling restraint 718, item 1, resonance(s) ' .69.HB3' (nmrStar names) not linked" rr_1kwj 1 120 2 722 1 "Not handling restraint 722, item 1, resonance(s) ' .69.HN' (nmrStar names) not linked" rr_1kwj 1 121 2 722 1 "Not handling restraint 722, item 1, resonance(s) ' .69.HN' (nmrStar names) not linked" rr_1kwj 1 122 2 726 1 "Not handling restraint 726, item 1, resonance(s) ' .69.HN' (nmrStar names) not linked" rr_1kwj 1 123 2 727 1 "Not handling restraint 727, item 1, resonance(s) ' .69.QM3' (nmrStar names) not linked" rr_1kwj 1 124 2 728 1 "Not handling restraint 728, item 1, resonance(s) ' .70.QT4' (nmrStar names) not linked" rr_1kwj 1 125 2 731 1 "Not handling restraint 731, item 1, resonance(s) ' .69.HN' (nmrStar names) not linked" rr_1kwj 1 126 2 732 1 "Not handling restraint 732, item 1, resonance(s) ' .70.QT4' (nmrStar names) not linked" rr_1kwj 1 127 2 734 1 "Not handling restraint 734, item 1, resonance(s) ' .69.HN' (nmrStar names) not linked" rr_1kwj 1 128 2 735 1 "Not handling restraint 735, item 1, resonance(s) ' .69.QM3' (nmrStar names) not linked" rr_1kwj 1 129 2 736 1 "Not handling restraint 736, item 1, resonance(s) ' .70.QM3' (nmrStar names) not linked" rr_1kwj 1 130 2 737 1 "Not handling restraint 737, item 1, resonance(s) ' .70.QT4' (nmrStar names) not linked" rr_1kwj 1 131 2 741 1 "Not handling restraint 741, item 1, resonance(s) ' .69.HN' (nmrStar names) not linked" rr_1kwj 1 132 2 742 1 "Not handling restraint 742, item 1, resonance(s) ' .69.HA' (nmrStar names) not linked" rr_1kwj 1 133 2 743 1 "Not handling restraint 743, item 1, resonance(s) ' .69.HB2' (nmrStar names) not linked" rr_1kwj 1 134 2 744 1 "Not handling restraint 744, item 1, resonance(s) ' .69.HB3' (nmrStar names) not linked" rr_1kwj 1 135 2 745 1 "Not handling restraint 745, item 1, resonance(s) ' .69.QM3' (nmrStar names) not linked" rr_1kwj 1 136 2 746 1 "Not handling restraint 746, item 1, resonance(s) ' .70.QT4' (nmrStar names) not linked" rr_1kwj 1 137 2 749 1 "Not handling restraint 749, item 1, resonance(s) ' .69.HN' (nmrStar names) not linked" rr_1kwj 1 138 2 750 1 "Not handling restraint 750, item 1, resonance(s) ' .69.HN' (nmrStar names) not linked" rr_1kwj 1 139 2 751 1 "Not handling restraint 751, item 1, resonance(s) ' .69.HT4A' (nmrStar names) not linked" rr_1kwj 1 140 2 753 1 "Not handling restraint 753, item 1, resonance(s) ' .69.HN' (nmrStar names) not linked" rr_1kwj 1 141 2 754 1 "Not handling restraint 754, item 1, resonance(s) ' .69.HT4A' (nmrStar names) not linked" rr_1kwj 1 142 2 755 1 "Not handling restraint 755, item 1, resonance(s) ' .69.QT4' (nmrStar names) not linked" rr_1kwj 1 143 2 757 1 "Not handling restraint 757, item 1, resonance(s) ' .69.HN' (nmrStar names),' .69.HA' (nmrStar names) not linked" rr_1kwj 1 144 2 758 1 "Not handling restraint 758, item 1, resonance(s) ' .69.HB2' (nmrStar names),' .69.HN' (nmrStar names) not linked" rr_1kwj 1 145 2 759 1 "Not handling restraint 759, item 1, resonance(s) ' .69.HB3' (nmrStar names),' .69.HN' (nmrStar names) not linked" rr_1kwj 1 146 2 760 1 "Not handling restraint 760, item 1, resonance(s) ' .69.HN' (nmrStar names) not linked" rr_1kwj 1 147 2 761 1 "Not handling restraint 761, item 1, resonance(s) ' .69.HB2' (nmrStar names),' .69.HA' (nmrStar names) not linked" rr_1kwj 1 148 2 762 1 "Not handling restraint 762, item 1, resonance(s) ' .69.HB3' (nmrStar names),' .69.HA' (nmrStar names) not linked" rr_1kwj 1 149 2 763 1 "Not handling restraint 763, item 1, resonance(s) ' .69.HA' (nmrStar names) not linked" rr_1kwj 1 150 2 764 1 "Not handling restraint 764, item 1, resonance(s) ' .69.HA' (nmrStar names) not linked" rr_1kwj 1 151 2 765 1 "Not handling restraint 765, item 1, resonance(s) ' .69.HA' (nmrStar names) not linked" rr_1kwj 1 152 2 766 1 "Not handling restraint 766, item 1, resonance(s) ' .69.HA' (nmrStar names) not linked" rr_1kwj 1 153 2 767 1 "Not handling restraint 767, item 1, resonance(s) ' .69.HA' (nmrStar names) not linked" rr_1kwj 1 154 2 768 1 "Not handling restraint 768, item 1, resonance(s) ' .69.HB2' (nmrStar names) not linked" rr_1kwj 1 155 2 769 1 "Not handling restraint 769, item 1, resonance(s) ' .69.HB2' (nmrStar names) not linked" rr_1kwj 1 156 2 770 1 "Not handling restraint 770, item 1, resonance(s) ' .69.HB2' (nmrStar names) not linked" rr_1kwj 1 157 2 771 1 "Not handling restraint 771, item 1, resonance(s) ' .69.HB2' (nmrStar names) not linked" rr_1kwj 1 158 2 772 1 "Not handling restraint 772, item 1, resonance(s) ' .69.HB3' (nmrStar names) not linked" rr_1kwj 1 159 2 773 1 "Not handling restraint 773, item 1, resonance(s) ' .69.HB3' (nmrStar names) not linked" rr_1kwj 1 160 2 774 1 "Not handling restraint 774, item 1, resonance(s) ' .69.HB3' (nmrStar names) not linked" rr_1kwj 1 161 2 775 1 "Not handling restraint 775, item 1, resonance(s) ' .69.HB3' (nmrStar names) not linked" rr_1kwj 1 162 2 776 1 "Not handling restraint 776, item 1, resonance(s) ' .69.HB3' (nmrStar names) not linked" rr_1kwj 1 163 2 777 1 "Not handling restraint 777, item 1, resonance(s) ' .69.HB3' (nmrStar names) not linked" rr_1kwj 1 164 2 778 1 "Not handling restraint 778, item 1, resonance(s) ' .69.HB3' (nmrStar names) not linked" rr_1kwj 1 165 2 779 1 "Not handling restraint 779, item 1, resonance(s) ' .69.HA71' (nmrStar names),' .69.HA72' (nmrStar names) not linked" rr_1kwj 1 166 2 780 1 "Not handling restraint 780, item 1, resonance(s) ' .69.HA71' (nmrStar names),' .69.HB73' (nmrStar names) not linked" rr_1kwj 1 167 2 781 1 "Not handling restraint 781, item 1, resonance(s) ' .69.HA71' (nmrStar names),' .69.QM8' (nmrStar names) not linked" rr_1kwj 1 168 2 782 1 "Not handling restraint 782, item 1, resonance(s) ' .69.HA71' (nmrStar names),' .69.HA62' (nmrStar names) not linked" rr_1kwj 1 169 2 783 1 "Not handling restraint 783, item 1, resonance(s) ' .69.HA71' (nmrStar names) not linked" rr_1kwj 1 170 2 784 1 "Not handling restraint 784, item 1, resonance(s) ' .69.HA71' (nmrStar names) not linked" rr_1kwj 1 171 2 785 1 "Not handling restraint 785, item 1, resonance(s) ' .69.HA71' (nmrStar names) not linked" rr_1kwj 1 172 2 786 1 "Not handling restraint 786, item 1, resonance(s) ' .69.HA71' (nmrStar names) not linked" rr_1kwj 1 173 2 787 1 "Not handling restraint 787, item 1, resonance(s) ' .69.HA71' (nmrStar names) not linked" rr_1kwj 1 174 2 788 1 "Not handling restraint 788, item 1, resonance(s) ' .69.HA72' (nmrStar names),' .69.HB73' (nmrStar names) not linked" rr_1kwj 1 175 2 789 1 "Not handling restraint 789, item 1, resonance(s) ' .69.HA72' (nmrStar names),' .69.QM8' (nmrStar names) not linked" rr_1kwj 1 176 2 790 1 "Not handling restraint 790, item 1, resonance(s) ' .69.HA72' (nmrStar names) not linked" rr_1kwj 1 177 2 791 1 "Not handling restraint 791, item 1, resonance(s) ' .69.HA72' (nmrStar names) not linked" rr_1kwj 1 178 2 792 1 "Not handling restraint 792, item 1, resonance(s) ' .69.HA72' (nmrStar names) not linked" rr_1kwj 1 179 2 793 1 "Not handling restraint 793, item 1, resonance(s) ' .69.HA72' (nmrStar names) not linked" rr_1kwj 1 180 2 794 1 "Not handling restraint 794, item 1, resonance(s) ' .69.HA72' (nmrStar names) not linked" rr_1kwj 1 181 2 795 1 "Not handling restraint 795, item 1, resonance(s) ' .69.HB73' (nmrStar names),' .69.HB74' (nmrStar names) not linked" rr_1kwj 1 182 2 796 1 "Not handling restraint 796, item 1, resonance(s) ' .69.HB73' (nmrStar names),' .69.QM8' (nmrStar names) not linked" rr_1kwj 1 183 2 797 1 "Not handling restraint 797, item 1, resonance(s) ' .69.HB73' (nmrStar names) not linked" rr_1kwj 1 184 2 798 1 "Not handling restraint 798, item 1, resonance(s) ' .69.QM8' (nmrStar names),' .69.HDM' (nmrStar names) not linked" rr_1kwj 1 185 2 799 1 "Not handling restraint 799, item 1, resonance(s) ' .69.QM1' (nmrStar names),' .69.QM8' (nmrStar names) not linked" rr_1kwj 1 186 2 800 1 "Not handling restraint 800, item 1, resonance(s) ' .69.QM8' (nmrStar names) not linked" rr_1kwj 1 187 2 801 1 "Not handling restraint 801, item 1, resonance(s) ' .69.QM8' (nmrStar names) not linked" rr_1kwj 1 188 2 802 1 "Not handling restraint 802, item 1, resonance(s) ' .69.QM8' (nmrStar names) not linked" rr_1kwj 1 189 2 803 1 "Not handling restraint 803, item 1, resonance(s) ' .69.QM8' (nmrStar names) not linked" rr_1kwj 1 190 2 804 1 "Not handling restraint 804, item 1, resonance(s) ' .69.QM8' (nmrStar names) not linked" rr_1kwj 1 191 2 805 1 "Not handling restraint 805, item 1, resonance(s) ' .69.QM8' (nmrStar names) not linked" rr_1kwj 1 192 2 806 1 "Not handling restraint 806, item 1, resonance(s) ' .69.QM8' (nmrStar names) not linked" rr_1kwj 1 193 2 807 1 "Not handling restraint 807, item 1, resonance(s) ' .69.QM8' (nmrStar names) not linked" rr_1kwj 1 194 2 808 1 "Not handling restraint 808, item 1, resonance(s) ' .69.QM1' (nmrStar names),' .69.HDM' (nmrStar names) not linked" rr_1kwj 1 195 2 809 1 "Not handling restraint 809, item 1, resonance(s) ' .69.HT2A' (nmrStar names),' .69.QM1' (nmrStar names) not linked" rr_1kwj 1 196 2 810 1 "Not handling restraint 810, item 1, resonance(s) ' .69.QT2' (nmrStar names),' .69.QM1' (nmrStar names) not linked" rr_1kwj 1 197 2 811 1 "Not handling restraint 811, item 1, resonance(s) ' .69.QM1' (nmrStar names) not linked" rr_1kwj 1 198 2 812 1 "Not handling restraint 812, item 1, resonance(s) ' .69.QM1' (nmrStar names) not linked" rr_1kwj 1 199 2 813 1 "Not handling restraint 813, item 1, resonance(s) ' .69.QM1' (nmrStar names) not linked" rr_1kwj 1 200 2 814 1 "Not handling restraint 814, item 1, resonance(s) ' .69.HT2A' (nmrStar names),' .69.QT2' (nmrStar names) not linked" rr_1kwj 1 201 2 815 1 "Not handling restraint 815, item 1, resonance(s) ' .69.HT2A' (nmrStar names),' .69.HAM' (nmrStar names) not linked" rr_1kwj 1 202 2 816 1 "Not handling restraint 816, item 1, resonance(s) ' .69.QM3' (nmrStar names),' .69.HT2A' (nmrStar names) not linked" rr_1kwj 1 203 2 817 1 "Not handling restraint 817, item 1, resonance(s) ' .69.QT2' (nmrStar names),' .69.HAM' (nmrStar names) not linked" rr_1kwj 1 204 2 818 1 "Not handling restraint 818, item 1, resonance(s) ' .69.QM3' (nmrStar names),' .69.QT2' (nmrStar names) not linked" rr_1kwj 1 205 2 819 1 "Not handling restraint 819, item 1, resonance(s) ' .69.QM3' (nmrStar names),' .69.HAM' (nmrStar names) not linked" rr_1kwj 1 206 2 820 1 "Not handling restraint 820, item 1, resonance(s) ' .69.QM3' (nmrStar names),' .69.HT4A' (nmrStar names) not linked" rr_1kwj 1 207 2 821 1 "Not handling restraint 821, item 1, resonance(s) ' .69.QM3' (nmrStar names),' .70.QM3' (nmrStar names) not linked" rr_1kwj 1 208 2 822 1 "Not handling restraint 822, item 1, resonance(s) ' .69.QT4' (nmrStar names),' .69.HT4A' (nmrStar names) not linked" rr_1kwj 1 209 2 823 1 "Not handling restraint 823, item 1, resonance(s) ' .69.QM5' (nmrStar names),' .69.HT4A' (nmrStar names) not linked" rr_1kwj 1 210 2 824 1 "Not handling restraint 824, item 1, resonance(s) ' .69.HT4A' (nmrStar names) not linked" rr_1kwj 1 211 2 825 1 "Not handling restraint 825, item 1, resonance(s) ' .70.QM3' (nmrStar names),' .69.HT4A' (nmrStar names) not linked" rr_1kwj 1 212 2 826 1 "Not handling restraint 826, item 1, resonance(s) ' .69.QM5' (nmrStar names),' .69.QT4' (nmrStar names) not linked" rr_1kwj 1 213 2 827 1 "Not handling restraint 827, item 1, resonance(s) ' .69.QM5' (nmrStar names),' .69.HA61' (nmrStar names) not linked" rr_1kwj 1 214 2 828 1 "Not handling restraint 828, item 1, resonance(s) ' .69.QM5' (nmrStar names),' .69.HA62' (nmrStar names) not linked" rr_1kwj 1 215 2 829 1 "Not handling restraint 829, item 1, resonance(s) ' .69.HB63' (nmrStar names),' .69.QM5' (nmrStar names) not linked" rr_1kwj 1 216 2 830 1 "Not handling restraint 830, item 1, resonance(s) ' .69.HB64' (nmrStar names),' .69.QM5' (nmrStar names) not linked" rr_1kwj 1 217 2 831 1 "Not handling restraint 831, item 1, resonance(s) ' .69.QM5' (nmrStar names) not linked" rr_1kwj 1 218 2 832 1 "Not handling restraint 832, item 1, resonance(s) ' .69.QM5' (nmrStar names) not linked" rr_1kwj 1 219 2 833 1 "Not handling restraint 833, item 1, resonance(s) ' .69.QM5' (nmrStar names) not linked" rr_1kwj 1 220 2 834 1 "Not handling restraint 834, item 1, resonance(s) ' .69.QM5' (nmrStar names) not linked" rr_1kwj 1 221 2 835 1 "Not handling restraint 835, item 1, resonance(s) ' .69.QM5' (nmrStar names) not linked" rr_1kwj 1 222 2 836 1 "Not handling restraint 836, item 1, resonance(s) ' .69.QM5' (nmrStar names) not linked" rr_1kwj 1 223 2 837 1 "Not handling restraint 837, item 1, resonance(s) ' .69.QM5' (nmrStar names) not linked" rr_1kwj 1 224 2 838 1 "Not handling restraint 838, item 1, resonance(s) ' .69.QM5' (nmrStar names) not linked" rr_1kwj 1 225 2 839 1 "Not handling restraint 839, item 1, resonance(s) ' .69.QM5' (nmrStar names) not linked" rr_1kwj 1 226 2 840 1 "Not handling restraint 840, item 1, resonance(s) ' .69.QM5' (nmrStar names) not linked" rr_1kwj 1 227 2 841 1 "Not handling restraint 841, item 1, resonance(s) ' .69.QM5' (nmrStar names) not linked" rr_1kwj 1 228 2 842 1 "Not handling restraint 842, item 1, resonance(s) ' .69.QM5' (nmrStar names) not linked" rr_1kwj 1 229 2 843 1 "Not handling restraint 843, item 1, resonance(s) ' .69.QM5' (nmrStar names),' .70.HT2A' (nmrStar names) not linked" rr_1kwj 1 230 2 844 1 "Not handling restraint 844, item 1, resonance(s) ' .70.QT2' (nmrStar names),' .69.QM5' (nmrStar names) not linked" rr_1kwj 1 231 2 845 1 "Not handling restraint 845, item 1, resonance(s) ' .69.HA62' (nmrStar names),' .69.HA61' (nmrStar names) not linked" rr_1kwj 1 232 2 846 1 "Not handling restraint 846, item 1, resonance(s) ' .69.HB63' (nmrStar names),' .69.HA61' (nmrStar names) not linked" rr_1kwj 1 233 2 847 1 "Not handling restraint 847, item 1, resonance(s) ' .69.HB64' (nmrStar names),' .69.HA61' (nmrStar names) not linked" rr_1kwj 1 234 2 848 1 "Not handling restraint 848, item 1, resonance(s) ' .69.HA61' (nmrStar names) not linked" rr_1kwj 1 235 2 849 1 "Not handling restraint 849, item 1, resonance(s) ' .69.HA61' (nmrStar names) not linked" rr_1kwj 1 236 2 850 1 "Not handling restraint 850, item 1, resonance(s) ' .69.HA61' (nmrStar names) not linked" rr_1kwj 1 237 2 851 1 "Not handling restraint 851, item 1, resonance(s) ' .69.HA61' (nmrStar names) not linked" rr_1kwj 1 238 2 852 1 "Not handling restraint 852, item 1, resonance(s) ' .69.HA61' (nmrStar names) not linked" rr_1kwj 1 239 2 853 1 "Not handling restraint 853, item 1, resonance(s) ' .69.HA61' (nmrStar names) not linked" rr_1kwj 1 240 2 854 1 "Not handling restraint 854, item 1, resonance(s) ' .69.HA61' (nmrStar names) not linked" rr_1kwj 1 241 2 855 1 "Not handling restraint 855, item 1, resonance(s) ' .69.HB63' (nmrStar names),' .69.HA62' (nmrStar names) not linked" rr_1kwj 1 242 2 856 1 "Not handling restraint 856, item 1, resonance(s) ' .69.HB64' (nmrStar names),' .69.HA62' (nmrStar names) not linked" rr_1kwj 1 243 2 857 1 "Not handling restraint 857, item 1, resonance(s) ' .69.HA62' (nmrStar names) not linked" rr_1kwj 1 244 2 858 1 "Not handling restraint 858, item 1, resonance(s) ' .69.HA62' (nmrStar names) not linked" rr_1kwj 1 245 2 859 1 "Not handling restraint 859, item 1, resonance(s) ' .69.HA62' (nmrStar names) not linked" rr_1kwj 1 246 2 860 1 "Not handling restraint 860, item 1, resonance(s) ' .69.HA62' (nmrStar names) not linked" rr_1kwj 1 247 2 861 1 "Not handling restraint 861, item 1, resonance(s) ' .69.HA62' (nmrStar names) not linked" rr_1kwj 1 248 2 862 1 "Not handling restraint 862, item 1, resonance(s) ' .69.HA62' (nmrStar names) not linked" rr_1kwj 1 249 2 863 1 "Not handling restraint 863, item 1, resonance(s) ' .69.HB63' (nmrStar names) not linked" rr_1kwj 1 250 2 864 1 "Not handling restraint 864, item 1, resonance(s) ' .69.HB63' (nmrStar names) not linked" rr_1kwj 1 251 2 865 1 "Not handling restraint 865, item 1, resonance(s) ' .69.HB63' (nmrStar names) not linked" rr_1kwj 1 252 2 866 1 "Not handling restraint 866, item 1, resonance(s) ' .69.HB63' (nmrStar names) not linked" rr_1kwj 1 253 2 867 1 "Not handling restraint 867, item 1, resonance(s) ' .69.HB63' (nmrStar names),' .70.QT2' (nmrStar names) not linked" rr_1kwj 1 254 2 868 1 "Not handling restraint 868, item 1, resonance(s) ' .69.HB64' (nmrStar names) not linked" rr_1kwj 1 255 2 869 1 "Not handling restraint 869, item 1, resonance(s) ' .69.HB64' (nmrStar names) not linked" rr_1kwj 1 256 2 1003 1 "Not handling restraint 1003, item 1, resonance(s) ' .70.QT2' (nmrStar names) not linked" rr_1kwj 1 257 2 1004 1 "Not handling restraint 1004, item 1, resonance(s) ' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 258 2 1011 1 "Not handling restraint 1011, item 1, resonance(s) ' .70.QT2' (nmrStar names) not linked" rr_1kwj 1 259 2 1012 1 "Not handling restraint 1012, item 1, resonance(s) ' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 260 2 1023 1 "Not handling restraint 1023, item 1, resonance(s) ' .70.QM1' (nmrStar names) not linked" rr_1kwj 1 261 2 1024 1 "Not handling restraint 1024, item 1, resonance(s) ' .70.QT2' (nmrStar names) not linked" rr_1kwj 1 262 2 1025 1 "Not handling restraint 1025, item 1, resonance(s) ' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 263 2 1026 1 "Not handling restraint 1026, item 1, resonance(s) ' .71.HA61' (nmrStar names) not linked" rr_1kwj 1 264 2 1027 1 "Not handling restraint 1027, item 1, resonance(s) ' .71.HA62' (nmrStar names) not linked" rr_1kwj 1 265 2 1028 1 "Not handling restraint 1028, item 1, resonance(s) ' .71.HB63' (nmrStar names) not linked" rr_1kwj 1 266 2 1029 1 "Not handling restraint 1029, item 1, resonance(s) ' .71.HB64' (nmrStar names) not linked" rr_1kwj 1 267 2 1032 1 "Not handling restraint 1032, item 1, resonance(s) ' .70.QT2' (nmrStar names) not linked" rr_1kwj 1 268 2 1035 1 "Not handling restraint 1035, item 1, resonance(s) ' .70.QT2' (nmrStar names) not linked" rr_1kwj 1 269 2 1036 1 "Not handling restraint 1036, item 1, resonance(s) ' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 270 2 1045 1 "Not handling restraint 1045, item 1, resonance(s) ' .70.QT2' (nmrStar names) not linked" rr_1kwj 1 271 2 1046 1 "Not handling restraint 1046, item 1, resonance(s) ' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 272 2 1055 1 "Not handling restraint 1055, item 1, resonance(s) ' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 273 2 1060 1 "Not handling restraint 1060, item 1, resonance(s) ' .71.HA61' (nmrStar names) not linked" rr_1kwj 1 274 2 1061 1 "Not handling restraint 1061, item 1, resonance(s) ' .71.HA62' (nmrStar names) not linked" rr_1kwj 1 275 2 1062 1 "Not handling restraint 1062, item 1, resonance(s) ' .71.HB63' (nmrStar names) not linked" rr_1kwj 1 276 2 1063 1 "Not handling restraint 1063, item 1, resonance(s) ' .71.HB64' (nmrStar names) not linked" rr_1kwj 1 277 2 1117 1 "Not handling restraint 1117, item 1, resonance(s) ' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 278 2 1122 1 "Not handling restraint 1122, item 1, resonance(s) ' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 279 2 1128 1 "Not handling restraint 1128, item 1, resonance(s) ' .70.QT2' (nmrStar names) not linked" rr_1kwj 1 280 2 1129 1 "Not handling restraint 1129, item 1, resonance(s) ' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 281 2 1130 1 "Not handling restraint 1130, item 1, resonance(s) ' .71.HA62' (nmrStar names) not linked" rr_1kwj 1 282 2 1186 1 "Not handling restraint 1186, item 1, resonance(s) ' .70.QM3' (nmrStar names) not linked" rr_1kwj 1 283 2 1188 1 "Not handling restraint 1188, item 1, resonance(s) ' .70.HT2A' (nmrStar names) not linked" rr_1kwj 1 284 2 1189 1 "Not handling restraint 1189, item 1, resonance(s) ' .70.QT2' (nmrStar names) not linked" rr_1kwj 1 285 2 1190 1 "Not handling restraint 1190, item 1, resonance(s) ' .71.HT4A' (nmrStar names) not linked" rr_1kwj 1 286 2 1192 1 "Not handling restraint 1192, item 1, resonance(s) ' .70.QM1' (nmrStar names) not linked" rr_1kwj 1 287 2 1193 1 "Not handling restraint 1193, item 1, resonance(s) ' .70.QT2' (nmrStar names) not linked" rr_1kwj 1 288 2 1203 1 "Not handling restraint 1203, item 1, resonance(s) ' .70.HAM' (nmrStar names) not linked" rr_1kwj 1 289 2 1218 1 "Not handling restraint 1218, item 1, resonance(s) ' .71.QM3' (nmrStar names) not linked" rr_1kwj 1 290 2 1222 1 "Not handling restraint 1222, item 1, resonance(s) ' .71.QT2' (nmrStar names) not linked" rr_1kwj 1 291 2 1222 1 "Not handling restraint 1222, item 1, resonance(s) ' .71.QT2' (nmrStar names) not linked" rr_1kwj 1 292 2 1223 1 "Not handling restraint 1223, item 1, resonance(s) ' .71.QM3' (nmrStar names) not linked" rr_1kwj 1 293 2 1223 1 "Not handling restraint 1223, item 1, resonance(s) ' .71.QM3' (nmrStar names) not linked" rr_1kwj 1 294 2 1228 1 "Not handling restraint 1228, item 1, resonance(s) ' .70.HN' (nmrStar names) not linked" rr_1kwj 1 295 2 1242 1 "Not handling restraint 1242, item 1, resonance(s) ' .70.HN' (nmrStar names) not linked" rr_1kwj 1 296 2 1243 1 "Not handling restraint 1243, item 1, resonance(s) ' .70.QM3' (nmrStar names) not linked" rr_1kwj 1 297 2 1244 1 "Not handling restraint 1244, item 1, resonance(s) ' .70.QT4' (nmrStar names) not linked" rr_1kwj 1 298 2 1247 1 "Not handling restraint 1247, item 1, resonance(s) ' .70.HN' (nmrStar names) not linked" rr_1kwj 1 299 2 1248 1 "Not handling restraint 1248, item 1, resonance(s) ' .70.QM3' (nmrStar names) not linked" rr_1kwj 1 300 2 1249 1 "Not handling restraint 1249, item 1, resonance(s) ' .70.HN' (nmrStar names) not linked" rr_1kwj 1 301 2 1250 1 "Not handling restraint 1250, item 1, resonance(s) ' .70.QM3' (nmrStar names) not linked" rr_1kwj 1 302 2 1251 1 "Not handling restraint 1251, item 1, resonance(s) ' .70.QT4' (nmrStar names) not linked" rr_1kwj 1 303 2 1252 1 "Not handling restraint 1252, item 1, resonance(s) ' .70.HN' (nmrStar names) not linked" rr_1kwj 1 304 2 1253 1 "Not handling restraint 1253, item 1, resonance(s) ' .70.QM3' (nmrStar names) not linked" rr_1kwj 1 305 2 1254 1 "Not handling restraint 1254, item 1, resonance(s) ' .70.QT4' (nmrStar names) not linked" rr_1kwj 1 306 2 1255 1 "Not handling restraint 1255, item 1, resonance(s) ' .70.HN' (nmrStar names),' .70.HB2' (nmrStar names) not linked" rr_1kwj 1 307 2 1256 1 "Not handling restraint 1256, item 1, resonance(s) ' .70.HN' (nmrStar names),' .70.HB3' (nmrStar names) not linked" rr_1kwj 1 308 2 1257 1 "Not handling restraint 1257, item 1, resonance(s) ' .70.HN' (nmrStar names) not linked" rr_1kwj 1 309 2 1258 1 "Not handling restraint 1258, item 1, resonance(s) ' .70.HN' (nmrStar names) not linked" rr_1kwj 1 310 2 1259 1 "Not handling restraint 1259, item 1, resonance(s) ' .70.HB2' (nmrStar names) not linked" rr_1kwj 1 311 2 1260 1 "Not handling restraint 1260, item 1, resonance(s) ' .70.HB2' (nmrStar names) not linked" rr_1kwj 1 312 2 1261 1 "Not handling restraint 1261, item 1, resonance(s) ' .70.HB3' (nmrStar names) not linked" rr_1kwj 1 313 2 1262 1 "Not handling restraint 1262, item 1, resonance(s) ' .70.HB3' (nmrStar names) not linked" rr_1kwj 1 314 2 1263 1 "Not handling restraint 1263, item 1, resonance(s) ' .70.HA71' (nmrStar names),' .70.HB73' (nmrStar names) not linked" rr_1kwj 1 315 2 1264 1 "Not handling restraint 1264, item 1, resonance(s) ' .70.HA71' (nmrStar names),' .70.HB74' (nmrStar names) not linked" rr_1kwj 1 316 2 1265 1 "Not handling restraint 1265, item 1, resonance(s) ' .70.HB73' (nmrStar names),' .70.HA72' (nmrStar names) not linked" rr_1kwj 1 317 2 1266 1 "Not handling restraint 1266, item 1, resonance(s) ' .70.HB74' (nmrStar names),' .70.HA72' (nmrStar names) not linked" rr_1kwj 1 318 2 1267 1 "Not handling restraint 1267, item 1, resonance(s) ' .70.QM8' (nmrStar names),' .70.HA72' (nmrStar names) not linked" rr_1kwj 1 319 2 1268 1 "Not handling restraint 1268, item 1, resonance(s) ' .70.HA72' (nmrStar names),' .70.HA61' (nmrStar names) not linked" rr_1kwj 1 320 2 1269 1 "Not handling restraint 1269, item 1, resonance(s) ' .70.HB73' (nmrStar names),' .70.HB74' (nmrStar names) not linked" rr_1kwj 1 321 2 1270 1 "Not handling restraint 1270, item 1, resonance(s) ' .70.QM8' (nmrStar names),' .70.HB73' (nmrStar names) not linked" rr_1kwj 1 322 2 1271 1 "Not handling restraint 1271, item 1, resonance(s) ' .70.QM8' (nmrStar names),' .70.HB74' (nmrStar names) not linked" rr_1kwj 1 323 2 1272 1 "Not handling restraint 1272, item 1, resonance(s) ' .70.QM1' (nmrStar names),' .70.QM8' (nmrStar names) not linked" rr_1kwj 1 324 2 1273 1 "Not handling restraint 1273, item 1, resonance(s) ' .70.QM8' (nmrStar names) not linked" rr_1kwj 1 325 2 1274 1 "Not handling restraint 1274, item 1, resonance(s) ' .70.QM1' (nmrStar names),' .70.QT2' (nmrStar names) not linked" rr_1kwj 1 326 2 1275 1 "Not handling restraint 1275, item 1, resonance(s) ' .70.QM1' (nmrStar names),' .71.HT4A' (nmrStar names) not linked" rr_1kwj 1 327 2 1276 1 "Not handling restraint 1276, item 1, resonance(s) ' .70.QM1' (nmrStar names),' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 328 2 1277 1 "Not handling restraint 1277, item 1, resonance(s) ' .70.QT2' (nmrStar names),' .70.HT2A' (nmrStar names) not linked" rr_1kwj 1 329 2 1278 1 "Not handling restraint 1278, item 1, resonance(s) ' .70.HT2A' (nmrStar names),' .70.HAM' (nmrStar names) not linked" rr_1kwj 1 330 2 1279 1 "Not handling restraint 1279, item 1, resonance(s) ' .70.QM3' (nmrStar names),' .70.HT2A' (nmrStar names) not linked" rr_1kwj 1 331 2 1280 1 "Not handling restraint 1280, item 1, resonance(s) ' .70.QT2' (nmrStar names),' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 332 2 1281 1 "Not handling restraint 1281, item 1, resonance(s) ' .70.QM3' (nmrStar names),' .70.HAM' (nmrStar names) not linked" rr_1kwj 1 333 2 1282 1 "Not handling restraint 1282, item 1, resonance(s) ' .70.QT4' (nmrStar names),' .70.QM3' (nmrStar names) not linked" rr_1kwj 1 334 2 1283 1 "Not handling restraint 1283, item 1, resonance(s) ' .70.QM5' (nmrStar names),' .70.HBM' (nmrStar names) not linked" rr_1kwj 1 335 2 1284 1 "Not handling restraint 1284, item 1, resonance(s) ' .70.QM5' (nmrStar names),' .70.HB64' (nmrStar names) not linked" rr_1kwj 1 336 2 1285 1 "Not handling restraint 1285, item 1, resonance(s) ' .70.HA61' (nmrStar names),' .70.HB64' (nmrStar names) not linked" rr_1kwj 1 337 2 1352 1 "Not handling restraint 1352, item 1, resonance(s) ' .71.QM3' (nmrStar names) not linked" rr_1kwj 1 338 2 1360 1 "Not handling restraint 1360, item 1, resonance(s) ' .71.QM3' (nmrStar names) not linked" rr_1kwj 1 339 2 1368 1 "Not handling restraint 1368, item 1, resonance(s) ' .71.QM3' (nmrStar names) not linked" rr_1kwj 1 340 2 1374 1 "Not handling restraint 1374, item 1, resonance(s) ' .71.QM3' (nmrStar names) not linked" rr_1kwj 1 341 2 1390 1 "Not handling restraint 1390, item 1, resonance(s) ' .71.QM1' (nmrStar names) not linked" rr_1kwj 1 342 2 1391 1 "Not handling restraint 1391, item 1, resonance(s) ' .71.HT2A' (nmrStar names) not linked" rr_1kwj 1 343 2 1392 1 "Not handling restraint 1392, item 1, resonance(s) ' .71.QT2' (nmrStar names) not linked" rr_1kwj 1 344 2 1393 1 "Not handling restraint 1393, item 1, resonance(s) ' .71.QM3' (nmrStar names) not linked" rr_1kwj 1 345 2 1399 1 "Not handling restraint 1399, item 1, resonance(s) ' .71.QM1' (nmrStar names) not linked" rr_1kwj 1 346 2 1403 1 "Not handling restraint 1403, item 1, resonance(s) ' .71.QM1' (nmrStar names) not linked" rr_1kwj 1 347 2 1404 1 "Not handling restraint 1404, item 1, resonance(s) ' .71.HT2A' (nmrStar names) not linked" rr_1kwj 1 348 2 1405 1 "Not handling restraint 1405, item 1, resonance(s) ' .71.QT2' (nmrStar names) not linked" rr_1kwj 1 349 2 1408 1 "Not handling restraint 1408, item 1, resonance(s) ' .71.QM1' (nmrStar names) not linked" rr_1kwj 1 350 2 1409 1 "Not handling restraint 1409, item 1, resonance(s) ' .71.HT2A' (nmrStar names) not linked" rr_1kwj 1 351 2 1415 1 "Not handling restraint 1415, item 1, resonance(s) ' .71.HN' (nmrStar names) not linked" rr_1kwj 1 352 2 1416 1 "Not handling restraint 1416, item 1, resonance(s) ' .71.HB2' (nmrStar names) not linked" rr_1kwj 1 353 2 1419 1 "Not handling restraint 1419, item 1, resonance(s) ' .71.HN' (nmrStar names) not linked" rr_1kwj 1 354 2 1420 1 "Not handling restraint 1420, item 1, resonance(s) ' .71.HB2' (nmrStar names) not linked" rr_1kwj 1 355 2 1424 1 "Not handling restraint 1424, item 1, resonance(s) ' .71.HN' (nmrStar names) not linked" rr_1kwj 1 356 2 1429 1 "Not handling restraint 1429, item 1, resonance(s) ' .71.HN' (nmrStar names) not linked" rr_1kwj 1 357 2 1430 1 "Not handling restraint 1430, item 1, resonance(s) ' .71.HB2' (nmrStar names) not linked" rr_1kwj 1 358 2 1431 1 "Not handling restraint 1431, item 1, resonance(s) ' .71.QM3' (nmrStar names) not linked" rr_1kwj 1 359 2 1434 1 "Not handling restraint 1434, item 1, resonance(s) ' .71.HN' (nmrStar names) not linked" rr_1kwj 1 360 2 1435 1 "Not handling restraint 1435, item 1, resonance(s) ' .71.HN' (nmrStar names) not linked" rr_1kwj 1 361 2 1436 1 "Not handling restraint 1436, item 1, resonance(s) ' .71.HN' (nmrStar names) not linked" rr_1kwj 1 362 2 1437 1 "Not handling restraint 1437, item 1, resonance(s) ' .71.HA' (nmrStar names),' .71.HN' (nmrStar names) not linked" rr_1kwj 1 363 2 1438 1 "Not handling restraint 1438, item 1, resonance(s) ' .71.HB2' (nmrStar names),' .71.HN' (nmrStar names) not linked" rr_1kwj 1 364 2 1439 1 "Not handling restraint 1439, item 1, resonance(s) ' .71.HB3' (nmrStar names),' .71.HN' (nmrStar names) not linked" rr_1kwj 1 365 2 1440 1 "Not handling restraint 1440, item 1, resonance(s) ' .71.HN' (nmrStar names) not linked" rr_1kwj 1 366 2 1441 1 "Not handling restraint 1441, item 1, resonance(s) ' .71.HA' (nmrStar names),' .71.HB2' (nmrStar names) not linked" rr_1kwj 1 367 2 1442 1 "Not handling restraint 1442, item 1, resonance(s) ' .71.HB3' (nmrStar names),' .71.HA' (nmrStar names) not linked" rr_1kwj 1 368 2 1443 1 "Not handling restraint 1443, item 1, resonance(s) ' .71.HA' (nmrStar names) not linked" rr_1kwj 1 369 2 1444 1 "Not handling restraint 1444, item 1, resonance(s) ' .71.HA' (nmrStar names) not linked" rr_1kwj 1 370 2 1445 1 "Not handling restraint 1445, item 1, resonance(s) ' .71.HA' (nmrStar names) not linked" rr_1kwj 1 371 2 1446 1 "Not handling restraint 1446, item 1, resonance(s) ' .71.HA' (nmrStar names) not linked" rr_1kwj 1 372 2 1447 1 "Not handling restraint 1447, item 1, resonance(s) ' .71.HB2' (nmrStar names) not linked" rr_1kwj 1 373 2 1448 1 "Not handling restraint 1448, item 1, resonance(s) ' .71.HB3' (nmrStar names) not linked" rr_1kwj 1 374 2 1449 1 "Not handling restraint 1449, item 1, resonance(s) ' .71.HA71' (nmrStar names),' .71.HA72' (nmrStar names) not linked" rr_1kwj 1 375 2 1450 1 "Not handling restraint 1450, item 1, resonance(s) ' .71.HB73' (nmrStar names),' .71.HA71' (nmrStar names) not linked" rr_1kwj 1 376 2 1451 1 "Not handling restraint 1451, item 1, resonance(s) ' .71.HB74' (nmrStar names),' .71.HA71' (nmrStar names) not linked" rr_1kwj 1 377 2 1452 1 "Not handling restraint 1452, item 1, resonance(s) ' .71.QM8' (nmrStar names),' .71.HA71' (nmrStar names) not linked" rr_1kwj 1 378 2 1453 1 "Not handling restraint 1453, item 1, resonance(s) ' .71.HA62' (nmrStar names),' .71.HA71' (nmrStar names) not linked" rr_1kwj 1 379 2 1454 1 "Not handling restraint 1454, item 1, resonance(s) ' .71.HB73' (nmrStar names),' .71.HA72' (nmrStar names) not linked" rr_1kwj 1 380 2 1455 1 "Not handling restraint 1455, item 1, resonance(s) ' .71.HB74' (nmrStar names),' .71.HA72' (nmrStar names) not linked" rr_1kwj 1 381 2 1456 1 "Not handling restraint 1456, item 1, resonance(s) ' .71.QM8' (nmrStar names),' .71.HA72' (nmrStar names) not linked" rr_1kwj 1 382 2 1457 1 "Not handling restraint 1457, item 1, resonance(s) ' .71.HB74' (nmrStar names),' .71.HB73' (nmrStar names) not linked" rr_1kwj 1 383 2 1458 1 "Not handling restraint 1458, item 1, resonance(s) ' .71.HB73' (nmrStar names),' .71.QM8' (nmrStar names) not linked" rr_1kwj 1 384 2 1459 1 "Not handling restraint 1459, item 1, resonance(s) ' .71.QM8' (nmrStar names),' .71.HDM' (nmrStar names) not linked" rr_1kwj 1 385 2 1460 1 "Not handling restraint 1460, item 1, resonance(s) ' .71.QM8' (nmrStar names),' .71.QM1' (nmrStar names) not linked" rr_1kwj 1 386 2 1461 1 "Not handling restraint 1461, item 1, resonance(s) ' .71.QM1' (nmrStar names),' .71.HDM' (nmrStar names) not linked" rr_1kwj 1 387 2 1462 1 "Not handling restraint 1462, item 1, resonance(s) ' .71.QM1' (nmrStar names),' .71.HT2A' (nmrStar names) not linked" rr_1kwj 1 388 2 1463 1 "Not handling restraint 1463, item 1, resonance(s) ' .71.QM1' (nmrStar names),' .71.QT2' (nmrStar names) not linked" rr_1kwj 1 389 2 1464 1 "Not handling restraint 1464, item 1, resonance(s) ' .71.QT2' (nmrStar names),' .71.HT2A' (nmrStar names) not linked" rr_1kwj 1 390 2 1465 1 "Not handling restraint 1465, item 1, resonance(s) ' .71.QM3' (nmrStar names),' .71.HT2A' (nmrStar names) not linked" rr_1kwj 1 391 2 1466 1 "Not handling restraint 1466, item 1, resonance(s) ' .71.QM3' (nmrStar names),' .71.HAM' (nmrStar names) not linked" rr_1kwj 1 392 2 1467 1 "Not handling restraint 1467, item 1, resonance(s) ' .71.HT4A' (nmrStar names),' .71.QM3' (nmrStar names) not linked" rr_1kwj 1 393 2 1468 1 "Not handling restraint 1468, item 1, resonance(s) ' .71.QM5' (nmrStar names),' .71.HT4A' (nmrStar names) not linked" rr_1kwj 1 394 2 1469 1 "Not handling restraint 1469, item 1, resonance(s) ' .71.HA61' (nmrStar names),' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 395 2 1470 1 "Not handling restraint 1470, item 1, resonance(s) ' .71.HA62' (nmrStar names),' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 396 2 1471 1 "Not handling restraint 1471, item 1, resonance(s) ' .71.HB63' (nmrStar names),' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 397 2 1472 1 "Not handling restraint 1472, item 1, resonance(s) ' .71.HB64' (nmrStar names),' .71.QM5' (nmrStar names) not linked" rr_1kwj 1 398 2 1473 1 "Not handling restraint 1473, item 1, resonance(s) ' .71.HA61' (nmrStar names),' .71.HGM' (nmrStar names) not linked" rr_1kwj 1 399 2 1474 1 "Not handling restraint 1474, item 1, resonance(s) ' .71.HA62' (nmrStar names),' .71.HGM' (nmrStar names) not linked" rr_1kwj 1 400 2 1475 1 "Not handling restraint 1475, item 1, resonance(s) ' .71.HB64' (nmrStar names),' .71.HGM' (nmrStar names) not linked" rr_1kwj 1 401 2 1476 1 "Not handling restraint 1476, item 1, resonance(s) ' .71.HA61' (nmrStar names),' .71.HA62' (nmrStar names) not linked" rr_1kwj 1 402 2 1477 1 "Not handling restraint 1477, item 1, resonance(s) ' .71.HA61' (nmrStar names),' .71.HB63' (nmrStar names) not linked" rr_1kwj 1 403 2 1478 1 "Not handling restraint 1478, item 1, resonance(s) ' .71.HA61' (nmrStar names),' .71.HB64' (nmrStar names) not linked" rr_1kwj 1 404 2 1479 1 "Not handling restraint 1479, item 1, resonance(s) ' .71.HB63' (nmrStar names),' .71.HA62' (nmrStar names) not linked" rr_1kwj 1 405 2 1480 1 "Not handling restraint 1480, item 1, resonance(s) ' .71.HB64' (nmrStar names),' .71.HA62' (nmrStar names) not linked" rr_1kwj 1 406 2 1481 1 "Not handling restraint 1481, item 1, resonance(s) ' .71.HB63' (nmrStar names),' .71.HB64' (nmrStar names) not linked" rr_1kwj 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_1kwj _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 OXYGEN STORAGE/TRANSPORT 29-JAN-02 1KWJ *TITLE SOLUTION STRUCTURE DETERMINATION OF THE FULLY OXIDIZED *TITLE 2 DOUBLE MUTANT K9-10A CYTOCHROME C7 FROM DESULFUROMONAS *TITLE 3 ACETOXIDANS *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CYTOCHROME C7; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: CYTOCHROME C3, CYTOCHROME C551.5; *COMPND 5 ENGINEERED: YES; *COMPND 6 MUTATION: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: DESULFUROMONAS ACETOXIDANS; *SOURCE 3 ORGANISM_COMMON: BACTERIA; *SOURCE 4 EXPRESSION_SYSTEM: DESULFOVIBRIO DESULFURICANS; *SOURCE 5 EXPRESSION_SYSTEM_COMMON: BACTERIA; *SOURCE 6 EXPRESSION_SYSTEM_STRAIN: G201 *KEYWDS AUTOMATIC ASSIGNMENT, CYTOCHROME C7, ELECTRON TRANSFER, *KEYWDS 2 MULTIHEME CYTOCHROMES, NMR SOLUTION STRUCTURE *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR M.ASSFALG, I.BERTINI, P.TURANO, M.BRUSCHI, M.C.DURAND, *AUTHOR 2 M.T.GIUDICI-ORTICONI, A.DOLLA *REVDAT 1 06-FEB-02 1KWJ 0 Table S1. Experimental NOESY cross peak intensities (last column) and corresponding upper distance limits (5th column, ?). Heme I, III, and IV are called HEM 69, 70, 71, respectively.' save_ save_MR_file_comment_3 _Org_constr_file_comment.Sf_framecode MR_file_comment_3 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1kwj _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 3 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment 'Table S2. Pseudocontact shift values (pcs) measured for the double mutant K910A of D. acetoxidans cytochrome c7, at pH 6.5, T 298K. Res.num. Res.name Atom.name pcs multiplicity tolerance weight' save_