data_Remediated_restraints_file_for_PDB_entry_1i6f # This BMRB archive file contains, for PDB entry 1i6f: # # - 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_1i6f _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1i6f' _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 1i6f' _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 1i6f 'Master copy' rr_1i6f stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1i6f _Assembly.ID 1 _Assembly.Name 1i6f _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 6355.1269 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 'NEUROTOXIN V 5' 1 $NEUROTOXIN_V_5 A . no . . . . . . rr_1i6f 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NEUROTOXIN_V_5 _Entity.Sf_category entity _Entity.Sf_framecode NEUROTOXIN_V_5 _Entity.Entry_ID rr_1i6f _Entity.ID 1 _Entity.Name NEUROTOXIN_V_5 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ; KDGYPVDSKGCKLSCVANNY CDNQCKMKKASGGHCYAMSC YCEGLPENAKVSDSATNICG ; _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 60 _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 6355.1269 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 . LYS . rr_1i6f 1 2 . ASP . rr_1i6f 1 3 . GLY . rr_1i6f 1 4 . TYR . rr_1i6f 1 5 . PRO . rr_1i6f 1 6 . VAL . rr_1i6f 1 7 . ASP . rr_1i6f 1 8 . SER . rr_1i6f 1 9 . LYS . rr_1i6f 1 10 . GLY . rr_1i6f 1 11 . CYS . rr_1i6f 1 12 . LYS . rr_1i6f 1 13 . LEU . rr_1i6f 1 14 . SER . rr_1i6f 1 15 . CYS . rr_1i6f 1 16 . VAL . rr_1i6f 1 17 . ALA . rr_1i6f 1 18 . ASN . rr_1i6f 1 19 . ASN . rr_1i6f 1 20 . TYR . rr_1i6f 1 21 . CYS . rr_1i6f 1 22 . ASP . rr_1i6f 1 23 . ASN . rr_1i6f 1 24 . GLN . rr_1i6f 1 25 . CYS . rr_1i6f 1 26 . LYS . rr_1i6f 1 27 . MET . rr_1i6f 1 28 . LYS . rr_1i6f 1 29 . LYS . rr_1i6f 1 30 . ALA . rr_1i6f 1 31 . SER . rr_1i6f 1 32 . GLY . rr_1i6f 1 33 . GLY . rr_1i6f 1 34 . HIS . rr_1i6f 1 35 . CYS . rr_1i6f 1 36 . TYR . rr_1i6f 1 37 . ALA . rr_1i6f 1 38 . MET . rr_1i6f 1 39 . SER . rr_1i6f 1 40 . CYS . rr_1i6f 1 41 . TYR . rr_1i6f 1 42 . CYS . rr_1i6f 1 43 . GLU . rr_1i6f 1 44 . GLY . rr_1i6f 1 45 . LEU . rr_1i6f 1 46 . PRO . rr_1i6f 1 47 . GLU . rr_1i6f 1 48 . ASN . rr_1i6f 1 49 . ALA . rr_1i6f 1 50 . LYS . rr_1i6f 1 51 . VAL . rr_1i6f 1 52 . SER . rr_1i6f 1 53 . ASP . rr_1i6f 1 54 . SER . rr_1i6f 1 55 . ALA . rr_1i6f 1 56 . THR . rr_1i6f 1 57 . ASN . rr_1i6f 1 58 . ILE . rr_1i6f 1 59 . CYS . rr_1i6f 1 60 . GLY . rr_1i6f 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 . LYS 1 1 rr_1i6f 1 . ASP 2 2 rr_1i6f 1 . GLY 3 3 rr_1i6f 1 . TYR 4 4 rr_1i6f 1 . PRO 5 5 rr_1i6f 1 . VAL 6 6 rr_1i6f 1 . ASP 7 7 rr_1i6f 1 . SER 8 8 rr_1i6f 1 . LYS 9 9 rr_1i6f 1 . GLY 10 10 rr_1i6f 1 . CYS 11 11 rr_1i6f 1 . LYS 12 12 rr_1i6f 1 . LEU 13 13 rr_1i6f 1 . SER 14 14 rr_1i6f 1 . CYS 15 15 rr_1i6f 1 . VAL 16 16 rr_1i6f 1 . ALA 17 17 rr_1i6f 1 . ASN 18 18 rr_1i6f 1 . ASN 19 19 rr_1i6f 1 . TYR 20 20 rr_1i6f 1 . CYS 21 21 rr_1i6f 1 . ASP 22 22 rr_1i6f 1 . ASN 23 23 rr_1i6f 1 . GLN 24 24 rr_1i6f 1 . CYS 25 25 rr_1i6f 1 . LYS 26 26 rr_1i6f 1 . MET 27 27 rr_1i6f 1 . LYS 28 28 rr_1i6f 1 . LYS 29 29 rr_1i6f 1 . ALA 30 30 rr_1i6f 1 . SER 31 31 rr_1i6f 1 . GLY 32 32 rr_1i6f 1 . GLY 33 33 rr_1i6f 1 . HIS 34 34 rr_1i6f 1 . CYS 35 35 rr_1i6f 1 . TYR 36 36 rr_1i6f 1 . ALA 37 37 rr_1i6f 1 . MET 38 38 rr_1i6f 1 . SER 39 39 rr_1i6f 1 . CYS 40 40 rr_1i6f 1 . TYR 41 41 rr_1i6f 1 . CYS 42 42 rr_1i6f 1 . GLU 43 43 rr_1i6f 1 . GLY 44 44 rr_1i6f 1 . LEU 45 45 rr_1i6f 1 . PRO 46 46 rr_1i6f 1 . GLU 47 47 rr_1i6f 1 . ASN 48 48 rr_1i6f 1 . ALA 49 49 rr_1i6f 1 . LYS 50 50 rr_1i6f 1 . VAL 51 51 rr_1i6f 1 . SER 52 52 rr_1i6f 1 . ASP 53 53 rr_1i6f 1 . SER 54 54 rr_1i6f 1 . ALA 55 55 rr_1i6f 1 . THR 56 56 rr_1i6f 1 . ASN 57 57 rr_1i6f 1 . ILE 58 58 rr_1i6f 1 . CYS 59 59 rr_1i6f 1 . GLY 60 60 rr_1i6f 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID rr_1i6f _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_1i6f _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_1i6f 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_1i6f 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 LYS C C -2.700 8.360 -4.613 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . rr_1i6f 1 . 1 . 2 . 1 1 1 LYS CA C -2.643 9.869 -4.866 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . rr_1i6f 1 . 1 . 3 . 1 1 1 LYS CB C -1.287 10.434 -4.441 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . rr_1i6f 1 . 1 . 4 . 1 1 1 LYS CD C 0.507 10.304 -2.707 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . rr_1i6f 1 . 1 . 5 . 1 1 1 LYS CE C 1.029 9.403 -1.584 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . rr_1i6f 1 . 1 . 6 . 1 1 1 LYS CG C -0.933 9.915 -3.046 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . rr_1i6f 1 . 1 . 7 . 1 1 1 LYS H1 H -4.577 10.527 -4.459 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . rr_1i6f 1 . 1 . 8 . 1 1 1 LYS H2 H -3.358 11.568 -3.897 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H2 . . . . . . . . . rr_1i6f 1 . 1 . 9 . 1 1 1 LYS H3 H -3.683 10.115 -3.078 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H3 . . . . . . . . . rr_1i6f 1 . 1 . 10 . 1 1 1 LYS HA H -2.821 10.083 -5.908 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . rr_1i6f 1 . 1 . 11 . 1 1 1 LYS HB2 H -0.530 10.121 -5.145 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . rr_1i6f 1 . 1 . 12 . 1 1 1 LYS HB3 H -1.337 11.512 -4.420 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . rr_1i6f 1 . 1 . 13 . 1 1 1 LYS HD2 H 1.128 10.184 -3.583 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . rr_1i6f 1 . 1 . 14 . 1 1 1 LYS HD3 H 0.536 11.333 -2.382 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . rr_1i6f 1 . 1 . 15 . 1 1 1 LYS HE2 H 0.209 9.059 -0.969 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . rr_1i6f 1 . 1 . 16 . 1 1 1 LYS HE3 H 1.572 8.566 -1.994 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . rr_1i6f 1 . 1 . 17 . 1 1 1 LYS HG2 H -1.605 10.350 -2.319 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . rr_1i6f 1 . 1 . 18 . 1 1 1 LYS HG3 H -1.028 8.840 -3.026 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . rr_1i6f 1 . 1 . 19 . 1 1 1 LYS HZ1 H 2.830 10.412 -1.322 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . rr_1i6f 1 . 1 . 20 . 1 1 1 LYS HZ2 H 2.157 9.810 0.117 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . rr_1i6f 1 . 1 . 21 . 1 1 1 LYS HZ3 H 1.495 11.189 -0.622 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . rr_1i6f 1 . 1 . 22 . 1 1 1 LYS N N -3.641 10.573 -4.010 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . rr_1i6f 1 . 1 . 23 . 1 1 1 LYS NZ N 1.947 10.269 -0.793 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . rr_1i6f 1 . 1 . 24 . 1 1 1 LYS O O -3.157 7.911 -3.581 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . rr_1i6f 1 . 1 . 25 . 1 1 2 ASP C C -0.860 5.574 -5.049 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . rr_1i6f 1 . 1 . 26 . 1 1 2 ASP CA C -2.267 6.095 -5.358 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . rr_1i6f 1 . 1 . 27 . 1 1 2 ASP CB C -2.766 5.535 -6.691 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . rr_1i6f 1 . 1 . 28 . 1 1 2 ASP CG C -3.996 6.321 -7.146 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . rr_1i6f 1 . 1 . 29 . 1 1 2 ASP H H -1.873 7.956 -6.372 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . rr_1i6f 1 . 1 . 30 . 1 1 2 ASP HA H -2.950 5.829 -4.567 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . rr_1i6f 1 . 1 . 31 . 1 1 2 ASP HB2 H -1.985 5.624 -7.433 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . rr_1i6f 1 . 1 . 32 . 1 1 2 ASP HB3 H -3.030 4.496 -6.568 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . rr_1i6f 1 . 1 . 33 . 1 1 2 ASP N N -2.238 7.574 -5.547 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . rr_1i6f 1 . 1 . 34 . 1 1 2 ASP O O 0.129 6.193 -5.387 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . rr_1i6f 1 . 1 . 35 . 1 1 2 ASP OD1 O -4.604 6.969 -6.310 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . rr_1i6f 1 . 1 . 36 . 1 1 2 ASP OD2 O -4.310 6.262 -8.324 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . rr_1i6f 1 . 1 . 37 . 1 1 3 GLY C C 0.424 2.750 -3.063 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_1i6f 1 . 1 . 38 . 1 1 3 GLY CA C 0.577 3.881 -4.081 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_1i6f 1 . 1 . 39 . 1 1 3 GLY H H -1.575 3.956 -4.147 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_1i6f 1 . 1 . 40 . 1 1 3 GLY HA2 H 1.038 3.498 -4.981 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_1i6f 1 . 1 . 41 . 1 1 3 GLY HA3 H 1.198 4.658 -3.661 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_1i6f 1 . 1 . 42 . 1 1 3 GLY N N -0.765 4.440 -4.410 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_1i6f 1 . 1 . 43 . 1 1 3 GLY O O -0.671 2.327 -2.751 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_1i6f 1 . 1 . 44 . 1 1 4 TYR C C 1.784 1.674 -0.146 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . rr_1i6f 1 . 1 . 45 . 1 1 4 TYR CA C 1.429 1.153 -1.542 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . rr_1i6f 1 . 1 . 46 . 1 1 4 TYR CB C 2.457 0.120 -2.006 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . rr_1i6f 1 . 1 . 47 . 1 1 4 TYR CD1 C 2.632 0.671 -4.460 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . rr_1i6f 1 . 1 . 48 . 1 1 4 TYR CD2 C 1.574 -1.410 -3.804 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . rr_1i6f 1 . 1 . 49 . 1 1 4 TYR CE1 C 2.408 0.360 -5.806 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . rr_1i6f 1 . 1 . 50 . 1 1 4 TYR CE2 C 1.349 -1.721 -5.150 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . rr_1i6f 1 . 1 . 51 . 1 1 4 TYR CG C 2.215 -0.215 -3.458 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . rr_1i6f 1 . 1 . 52 . 1 1 4 TYR CZ C 1.767 -0.836 -6.151 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . rr_1i6f 1 . 1 . 53 . 1 1 4 TYR H H 2.388 2.613 -2.805 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . rr_1i6f 1 . 1 . 54 . 1 1 4 TYR HA H 0.443 0.718 -1.544 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . rr_1i6f 1 . 1 . 55 . 1 1 4 TYR HB2 H 3.451 0.525 -1.890 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . rr_1i6f 1 . 1 . 56 . 1 1 4 TYR HB3 H 2.361 -0.775 -1.410 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . rr_1i6f 1 . 1 . 57 . 1 1 4 TYR HD1 H 3.127 1.593 -4.193 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . rr_1i6f 1 . 1 . 58 . 1 1 4 TYR HD2 H 1.252 -2.093 -3.031 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . rr_1i6f 1 . 1 . 59 . 1 1 4 TYR HE1 H 2.729 1.043 -6.579 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . rr_1i6f 1 . 1 . 60 . 1 1 4 TYR HE2 H 0.855 -2.643 -5.417 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . rr_1i6f 1 . 1 . 61 . 1 1 4 TYR HH H 1.570 -2.097 -7.571 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . rr_1i6f 1 . 1 . 62 . 1 1 4 TYR N N 1.514 2.257 -2.541 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . rr_1i6f 1 . 1 . 63 . 1 1 4 TYR O O 2.752 2.389 0.022 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . rr_1i6f 1 . 1 . 64 . 1 1 4 TYR OH O 1.546 -1.142 -7.479 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . rr_1i6f 1 . 1 . 65 . 1 1 5 PRO C C 2.408 0.987 2.812 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . rr_1i6f 1 . 1 . 66 . 1 1 5 PRO CA C 1.210 1.728 2.212 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . rr_1i6f 1 . 1 . 67 . 1 1 5 PRO CB C -0.083 1.337 2.923 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . rr_1i6f 1 . 1 . 68 . 1 1 5 PRO CD C -0.201 0.438 0.683 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . rr_1i6f 1 . 1 . 69 . 1 1 5 PRO CG C -0.653 0.222 2.105 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . rr_1i6f 1 . 1 . 70 . 1 1 5 PRO HA H 1.354 2.795 2.265 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . rr_1i6f 1 . 1 . 71 . 1 1 5 PRO HB2 H 0.130 0.999 3.928 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . rr_1i6f 1 . 1 . 72 . 1 1 5 PRO HB3 H -0.769 2.169 2.941 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . rr_1i6f 1 . 1 . 73 . 1 1 5 PRO HD2 H 0.059 -0.505 0.222 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . rr_1i6f 1 . 1 . 74 . 1 1 5 PRO HD3 H -0.966 0.943 0.114 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . rr_1i6f 1 . 1 . 75 . 1 1 5 PRO HG2 H -0.287 -0.727 2.471 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . rr_1i6f 1 . 1 . 76 . 1 1 5 PRO HG3 H -1.731 0.245 2.150 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . rr_1i6f 1 . 1 . 77 . 1 1 5 PRO N N 0.982 1.296 0.812 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . rr_1i6f 1 . 1 . 78 . 1 1 5 PRO O O 2.624 -0.179 2.548 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . rr_1i6f 1 . 1 . 79 . 1 1 6 VAL C C 4.227 0.956 5.757 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . rr_1i6f 1 . 1 . 80 . 1 1 6 VAL CA C 4.371 0.987 4.233 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . rr_1i6f 1 . 1 . 81 . 1 1 6 VAL CB C 5.567 1.847 3.826 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . rr_1i6f 1 . 1 . 82 . 1 1 6 VAL CG1 C 5.864 1.638 2.339 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . rr_1i6f 1 . 1 . 83 . 1 1 6 VAL CG2 C 5.244 3.321 4.077 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . rr_1i6f 1 . 1 . 84 . 1 1 6 VAL H H 2.997 2.595 3.818 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . rr_1i6f 1 . 1 . 85 . 1 1 6 VAL HA H 4.485 -0.012 3.844 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . rr_1i6f 1 . 1 . 86 . 1 1 6 VAL HB H 6.431 1.561 4.408 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . rr_1i6f 1 . 1 . 87 . 1 1 6 VAL HG11 H 6.700 0.963 2.231 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . rr_1i6f 1 . 1 . 88 . 1 1 6 VAL HG12 H 6.105 2.587 1.884 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . rr_1i6f 1 . 1 . 89 . 1 1 6 VAL HG13 H 4.996 1.216 1.855 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . rr_1i6f 1 . 1 . 90 . 1 1 6 VAL HG21 H 4.410 3.395 4.760 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . rr_1i6f 1 . 1 . 91 . 1 1 6 VAL HG22 H 4.988 3.798 3.143 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . rr_1i6f 1 . 1 . 92 . 1 1 6 VAL HG23 H 6.106 3.810 4.507 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . rr_1i6f 1 . 1 . 93 . 1 1 6 VAL N N 3.188 1.655 3.618 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . rr_1i6f 1 . 1 . 94 . 1 1 6 VAL O O 3.389 1.628 6.325 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . rr_1i6f 1 . 1 . 95 . 1 1 7 ASP C C 5.852 1.162 8.549 . . . 1.0 . . . . . . . . . . . . A . 7 ASP C . . . . . . . . . rr_1i6f 1 . 1 . 96 . 1 1 7 ASP CA C 4.945 0.106 7.910 . . . 1.0 . . . . . . . . . . . . A . 7 ASP CA . . . . . . . . . rr_1i6f 1 . 1 . 97 . 1 1 7 ASP CB C 5.426 -1.301 8.268 . . . 1.0 . . . . . . . . . . . . A . 7 ASP CB . . . . . . . . . rr_1i6f 1 . 1 . 98 . 1 1 7 ASP CG C 6.808 -1.539 7.657 . . . 1.0 . . . . . . . . . . . . A . 7 ASP CG . . . . . . . . . rr_1i6f 1 . 1 . 99 . 1 1 7 ASP H H 5.706 -0.355 5.947 . . . 1.0 . . . . . . . . . . . . A . 7 ASP H . . . . . . . . . rr_1i6f 1 . 1 . 100 . 1 1 7 ASP HA H 3.925 0.240 8.232 . . . 1.0 . . . . . . . . . . . . A . 7 ASP HA . . . . . . . . . rr_1i6f 1 . 1 . 101 . 1 1 7 ASP HB2 H 5.484 -1.399 9.342 . . . 1.0 . . . . . . . . . . . . A . 7 ASP HB2 . . . . . . . . . rr_1i6f 1 . 1 . 102 . 1 1 7 ASP HB3 H 4.732 -2.029 7.876 . . . 1.0 . . . . . . . . . . . . A . 7 ASP HB3 . . . . . . . . . rr_1i6f 1 . 1 . 103 . 1 1 7 ASP N N 5.037 0.180 6.424 . . . 1.0 . . . . . . . . . . . . A . 7 ASP N . . . . . . . . . rr_1i6f 1 . 1 . 104 . 1 1 7 ASP O O 6.419 1.998 7.873 . . . 1.0 . . . . . . . . . . . . A . 7 ASP O . . . . . . . . . rr_1i6f 1 . 1 . 105 . 1 1 7 ASP OD1 O 7.427 -0.571 7.245 . . . 1.0 . . . . . . . . . . . . A . 7 ASP OD1 . . . . . . . . . rr_1i6f 1 . 1 . 106 . 1 1 7 ASP OD2 O 7.225 -2.684 7.612 . . . 1.0 . . . . . . . . . . . . A . 7 ASP OD2 . . . . . . . . . rr_1i6f 1 . 1 . 107 . 1 1 8 SER C C 8.291 2.050 9.981 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_1i6f 1 . 1 . 108 . 1 1 8 SER CA C 6.862 2.133 10.526 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_1i6f 1 . 1 . 109 . 1 1 8 SER CB C 6.829 1.747 12.004 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_1i6f 1 . 1 . 110 . 1 1 8 SER H H 5.526 0.448 10.373 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_1i6f 1 . 1 . 111 . 1 1 8 SER HA H 6.465 3.127 10.396 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_1i6f 1 . 1 . 112 . 1 1 8 SER HB2 H 7.468 2.408 12.566 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_1i6f 1 . 1 . 113 . 1 1 8 SER HB3 H 5.815 1.829 12.374 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_1i6f 1 . 1 . 114 . 1 1 8 SER HG H 7.345 0.217 13.090 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_1i6f 1 . 1 . 115 . 1 1 8 SER N N 5.992 1.130 9.846 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_1i6f 1 . 1 . 116 . 1 1 8 SER O O 9.094 2.939 10.182 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_1i6f 1 . 1 . 117 . 1 1 8 SER OG O 7.293 0.411 12.151 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_1i6f 1 . 1 . 118 . 1 1 9 LYS C C 10.037 1.392 7.305 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_1i6f 1 . 1 . 119 . 1 1 9 LYS CA C 9.989 0.851 8.736 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_1i6f 1 . 1 . 120 . 1 1 9 LYS CB C 10.273 -0.652 8.752 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_1i6f 1 . 1 . 121 . 1 1 9 LYS CD C 12.303 -1.847 9.587 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_1i6f 1 . 1 . 122 . 1 1 9 LYS CE C 13.563 -2.541 9.065 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_1i6f 1 . 1 . 123 . 1 1 9 LYS CG C 11.766 -0.892 8.519 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_1i6f 1 . 1 . 124 . 1 1 9 LYS H H 7.950 0.283 9.142 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_1i6f 1 . 1 . 125 . 1 1 9 LYS HA H 10.701 1.367 9.360 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_1i6f 1 . 1 . 126 . 1 1 9 LYS HB2 H 9.987 -1.062 9.710 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_1i6f 1 . 1 . 127 . 1 1 9 LYS HB3 H 9.707 -1.134 7.969 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_1i6f 1 . 1 . 128 . 1 1 9 LYS HD2 H 12.543 -1.289 10.481 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_1i6f 1 . 1 . 129 . 1 1 9 LYS HD3 H 11.554 -2.589 9.816 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_1i6f 1 . 1 . 130 . 1 1 9 LYS HE2 H 13.448 -2.787 8.017 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_1i6f 1 . 1 . 131 . 1 1 9 LYS HE3 H 14.428 -1.914 9.213 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_1i6f 1 . 1 . 132 . 1 1 9 LYS HG2 H 11.912 -1.325 7.540 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_1i6f 1 . 1 . 133 . 1 1 9 LYS HG3 H 12.296 0.047 8.580 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_1i6f 1 . 1 . 134 . 1 1 9 LYS HZ1 H 14.317 -4.452 9.402 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_1i6f 1 . 1 . 135 . 1 1 9 LYS HZ2 H 12.744 -4.213 9.997 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_1i6f 1 . 1 . 136 . 1 1 9 LYS HZ3 H 14.075 -3.545 10.815 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_1i6f 1 . 1 . 137 . 1 1 9 LYS N N 8.612 0.989 9.293 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_1i6f 1 . 1 . 138 . 1 1 9 LYS NZ N 13.684 -3.781 9.881 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_1i6f 1 . 1 . 139 . 1 1 9 LYS O O 11.086 1.734 6.796 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_1i6f 1 . 1 . 140 . 1 1 10 GLY C C 8.834 0.819 4.275 . . . 1.0 . . . . . . . . . . . . A . 10 GLY C . . . . . . . . . rr_1i6f 1 . 1 . 141 . 1 1 10 GLY CA C 8.893 1.992 5.256 . . . 1.0 . . . . . . . . . . . . A . 10 GLY CA . . . . . . . . . rr_1i6f 1 . 1 . 142 . 1 1 10 GLY H H 8.075 1.192 7.082 . . . 1.0 . . . . . . . . . . . . A . 10 GLY H . . . . . . . . . rr_1i6f 1 . 1 . 143 . 1 1 10 GLY HA2 H 8.026 2.623 5.118 . . . 1.0 . . . . . . . . . . . . A . 10 GLY HA2 . . . . . . . . . rr_1i6f 1 . 1 . 144 . 1 1 10 GLY HA3 H 9.789 2.564 5.073 . . . 1.0 . . . . . . . . . . . . A . 10 GLY HA3 . . . . . . . . . rr_1i6f 1 . 1 . 145 . 1 1 10 GLY N N 8.910 1.473 6.653 . . . 1.0 . . . . . . . . . . . . A . 10 GLY N . . . . . . . . . rr_1i6f 1 . 1 . 146 . 1 1 10 GLY O O 9.199 0.942 3.123 . . . 1.0 . . . . . . . . . . . . A . 10 GLY O . . . . . . . . . rr_1i6f 1 . 1 . 147 . 1 1 11 CYS C C 6.856 -1.693 3.329 . . . 1.0 . . . . . . . . . . . . A . 11 CYS C . . . . . . . . . rr_1i6f 1 . 1 . 148 . 1 1 11 CYS CA C 8.295 -1.498 3.814 . . . 1.0 . . . . . . . . . . . . A . 11 CYS CA . . . . . . . . . rr_1i6f 1 . 1 . 149 . 1 1 11 CYS CB C 8.738 -2.686 4.668 . . . 1.0 . . . . . . . . . . . . A . 11 CYS CB . . . . . . . . . rr_1i6f 1 . 1 . 150 . 1 1 11 CYS H H 8.087 -0.397 5.656 . . . 1.0 . . . . . . . . . . . . A . 11 CYS H . . . . . . . . . rr_1i6f 1 . 1 . 151 . 1 1 11 CYS HA H 8.963 -1.376 2.977 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HA . . . . . . . . . rr_1i6f 1 . 1 . 152 . 1 1 11 CYS HB2 H 7.993 -2.885 5.424 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HB2 . . . . . . . . . rr_1i6f 1 . 1 . 153 . 1 1 11 CYS HB3 H 8.855 -3.557 4.040 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HB3 . . . . . . . . . rr_1i6f 1 . 1 . 154 . 1 1 11 CYS N N 8.377 -0.318 4.723 . . . 1.0 . . . . . . . . . . . . A . 11 CYS N . . . . . . . . . rr_1i6f 1 . 1 . 155 . 1 1 11 CYS O O 5.912 -1.557 4.082 . . . 1.0 . . . . . . . . . . . . A . 11 CYS O . . . . . . . . . rr_1i6f 1 . 1 . 156 . 1 1 11 CYS SG S 10.318 -2.301 5.464 . . . 1.0 . . . . . . . . . . . . A . 11 CYS SG . . . . . . . . . rr_1i6f 1 . 1 . 157 . 1 1 12 LYS C C 4.541 -3.217 2.415 . . . 1.0 . . . . . . . . . . . . A . 12 LYS C . . . . . . . . . rr_1i6f 1 . 1 . 158 . 1 1 12 LYS CA C 5.302 -2.214 1.543 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CA . . . . . . . . . rr_1i6f 1 . 1 . 159 . 1 1 12 LYS CB C 5.500 -2.772 0.133 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CB . . . . . . . . . rr_1i6f 1 . 1 . 160 . 1 1 12 LYS CD C 5.853 -1.869 -2.170 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CD . . . . . . . . . rr_1i6f 1 . 1 . 161 . 1 1 12 LYS CE C 6.126 -3.283 -2.687 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CE . . . . . . . . . rr_1i6f 1 . 1 . 162 . 1 1 12 LYS CG C 6.289 -1.766 -0.707 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CG . . . . . . . . . rr_1i6f 1 . 1 . 163 . 1 1 12 LYS H H 7.455 -2.116 1.484 . . . 1.0 . . . . . . . . . . . . A . 12 LYS H . . . . . . . . . rr_1i6f 1 . 1 . 164 . 1 1 12 LYS HA H 4.773 -1.276 1.498 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HA . . . . . . . . . rr_1i6f 1 . 1 . 165 . 1 1 12 LYS HB2 H 6.045 -3.703 0.188 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB2 . . . . . . . . . rr_1i6f 1 . 1 . 166 . 1 1 12 LYS HB3 H 4.538 -2.944 -0.325 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB3 . . . . . . . . . rr_1i6f 1 . 1 . 167 . 1 1 12 LYS HD2 H 4.796 -1.654 -2.246 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD2 . . . . . . . . . rr_1i6f 1 . 1 . 168 . 1 1 12 LYS HD3 H 6.408 -1.158 -2.763 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD3 . . . . . . . . . rr_1i6f 1 . 1 . 169 . 1 1 12 LYS HE2 H 7.054 -3.658 -2.278 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE2 . . . . . . . . . rr_1i6f 1 . 1 . 170 . 1 1 12 LYS HE3 H 5.309 -3.941 -2.435 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE3 . . . . . . . . . rr_1i6f 1 . 1 . 171 . 1 1 12 LYS HG2 H 6.100 -0.766 -0.344 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG2 . . . . . . . . . rr_1i6f 1 . 1 . 172 . 1 1 12 LYS HG3 H 7.344 -1.983 -0.633 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG3 . . . . . . . . . rr_1i6f 1 . 1 . 173 . 1 1 12 LYS HZ1 H 6.577 -2.187 -4.398 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ1 . . . . . . . . . rr_1i6f 1 . 1 . 174 . 1 1 12 LYS HZ2 H 5.289 -3.279 -4.593 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ2 . . . . . . . . . rr_1i6f 1 . 1 . 175 . 1 1 12 LYS HZ3 H 6.889 -3.848 -4.539 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ3 . . . . . . . . . rr_1i6f 1 . 1 . 176 . 1 1 12 LYS N N 6.680 -2.011 2.075 . . . 1.0 . . . . . . . . . . . . A . 12 LYS N . . . . . . . . . rr_1i6f 1 . 1 . 177 . 1 1 12 LYS NZ N 6.228 -3.138 -4.166 . . . 1.0 . . . . . . . . . . . . A . 12 LYS NZ . . . . . . . . . rr_1i6f 1 . 1 . 178 . 1 1 12 LYS O O 5.096 -4.189 2.888 . . . 1.0 . . . . . . . . . . . . A . 12 LYS O . . . . . . . . . rr_1i6f 1 . 1 . 179 . 1 1 13 LEU C C 2.022 -5.127 2.639 . . . 1.0 . . . . . . . . . . . . A . 13 LEU C . . . . . . . . . rr_1i6f 1 . 1 . 180 . 1 1 13 LEU CA C 2.480 -3.928 3.473 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CA . . . . . . . . . rr_1i6f 1 . 1 . 181 . 1 1 13 LEU CB C 1.276 -3.113 3.948 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CB . . . . . . . . . rr_1i6f 1 . 1 . 182 . 1 1 13 LEU CD1 C 1.252 -4.128 6.230 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CD1 . . . . . . . . . rr_1i6f 1 . 1 . 183 . 1 1 13 LEU CD2 C -0.854 -3.215 5.247 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CD2 . . . . . . . . . rr_1i6f 1 . 1 . 184 . 1 1 13 LEU CG C 0.456 -3.942 4.937 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CG . . . . . . . . . rr_1i6f 1 . 1 . 185 . 1 1 13 LEU H H 2.846 -2.197 2.241 . . . 1.0 . . . . . . . . . . . . A . 13 LEU H . . . . . . . . . rr_1i6f 1 . 1 . 186 . 1 1 13 LEU HA H 3.060 -4.257 4.321 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HA . . . . . . . . . rr_1i6f 1 . 1 . 187 . 1 1 13 LEU HB2 H 1.621 -2.210 4.431 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HB2 . . . . . . . . . rr_1i6f 1 . 1 . 188 . 1 1 13 LEU HB3 H 0.659 -2.855 3.100 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HB3 . . . . . . . . . rr_1i6f 1 . 1 . 189 . 1 1 13 LEU HD11 H 1.630 -3.172 6.561 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD11 . . . . . . . . . rr_1i6f 1 . 1 . 190 . 1 1 13 LEU HD12 H 2.079 -4.800 6.050 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD12 . . . . . . . . . rr_1i6f 1 . 1 . 191 . 1 1 13 LEU HD13 H 0.610 -4.545 6.992 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD13 . . . . . . . . . rr_1i6f 1 . 1 . 192 . 1 1 13 LEU HD21 H -0.644 -2.185 5.494 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD21 . . . . . . . . . rr_1i6f 1 . 1 . 193 . 1 1 13 LEU HD22 H -1.342 -3.693 6.083 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD22 . . . . . . . . . rr_1i6f 1 . 1 . 194 . 1 1 13 LEU HD23 H -1.500 -3.253 4.383 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD23 . . . . . . . . . rr_1i6f 1 . 1 . 195 . 1 1 13 LEU HG H 0.241 -4.909 4.505 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HG . . . . . . . . . rr_1i6f 1 . 1 . 196 . 1 1 13 LEU N N 3.275 -2.987 2.632 . . . 1.0 . . . . . . . . . . . . A . 13 LEU N . . . . . . . . . rr_1i6f 1 . 1 . 197 . 1 1 13 LEU O O 1.188 -5.004 1.764 . . . 1.0 . . . . . . . . . . . . A . 13 LEU O . . . . . . . . . rr_1i6f 1 . 1 . 198 . 1 1 14 SER C C 0.649 -7.725 2.258 . . . 1.0 . . . . . . . . . . . . A . 14 SER C . . . . . . . . . rr_1i6f 1 . 1 . 199 . 1 1 14 SER CA C 2.156 -7.491 2.124 . . . 1.0 . . . . . . . . . . . . A . 14 SER CA . . . . . . . . . rr_1i6f 1 . 1 . 200 . 1 1 14 SER CB C 2.936 -8.647 2.750 . . . 1.0 . . . . . . . . . . . . A . 14 SER CB . . . . . . . . . rr_1i6f 1 . 1 . 201 . 1 1 14 SER H H 3.233 -6.364 3.613 . . . 1.0 . . . . . . . . . . . . A . 14 SER H . . . . . . . . . rr_1i6f 1 . 1 . 202 . 1 1 14 SER HA H 2.430 -7.380 1.087 . . . 1.0 . . . . . . . . . . . . A . 14 SER HA . . . . . . . . . rr_1i6f 1 . 1 . 203 . 1 1 14 SER HB2 H 2.574 -8.829 3.748 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB2 . . . . . . . . . rr_1i6f 1 . 1 . 204 . 1 1 14 SER HB3 H 2.799 -9.538 2.151 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB3 . . . . . . . . . rr_1i6f 1 . 1 . 205 . 1 1 14 SER HG H 4.824 -9.109 2.673 . . . 1.0 . . . . . . . . . . . . A . 14 SER HG . . . . . . . . . rr_1i6f 1 . 1 . 206 . 1 1 14 SER N N 2.561 -6.286 2.903 . . . 1.0 . . . . . . . . . . . . A . 14 SER N . . . . . . . . . rr_1i6f 1 . 1 . 207 . 1 1 14 SER O O 0.078 -7.565 3.319 . . . 1.0 . . . . . . . . . . . . A . 14 SER O . . . . . . . . . rr_1i6f 1 . 1 . 208 . 1 1 14 SER OG O 4.314 -8.306 2.808 . . . 1.0 . . . . . . . . . . . . A . 14 SER OG . . . . . . . . . rr_1i6f 1 . 1 . 209 . 1 1 15 CYS C C -1.796 -9.756 0.763 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . rr_1i6f 1 . 1 . 210 . 1 1 15 CYS CA C -1.470 -8.345 1.258 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . rr_1i6f 1 . 1 . 211 . 1 1 15 CYS CB C -2.087 -7.296 0.334 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . rr_1i6f 1 . 1 . 212 . 1 1 15 CYS H H 0.479 -8.225 0.345 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . rr_1i6f 1 . 1 . 213 . 1 1 15 CYS HA H -1.829 -8.206 2.266 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . rr_1i6f 1 . 1 . 214 . 1 1 15 CYS HB2 H -3.164 -7.361 0.384 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . rr_1i6f 1 . 1 . 215 . 1 1 15 CYS HB3 H -1.772 -6.311 0.646 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . rr_1i6f 1 . 1 . 216 . 1 1 15 CYS N N 0.000 -8.102 1.191 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . rr_1i6f 1 . 1 . 217 . 1 1 15 CYS O O -1.196 -10.251 -0.171 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . rr_1i6f 1 . 1 . 218 . 1 1 15 CYS SG S -1.542 -7.593 -1.366 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . rr_1i6f 1 . 1 . 219 . 1 1 16 VAL C C -4.563 -11.823 0.469 . . . 1.0 . . . . . . . . . . . . A . 16 VAL C . . . . . . . . . rr_1i6f 1 . 1 . 220 . 1 1 16 VAL CA C -3.107 -11.786 0.944 . . . 1.0 . . . . . . . . . . . . A . 16 VAL CA . . . . . . . . . rr_1i6f 1 . 1 . 221 . 1 1 16 VAL CB C -2.926 -12.656 2.187 . . . 1.0 . . . . . . . . . . . . A . 16 VAL CB . . . . . . . . . rr_1i6f 1 . 1 . 222 . 1 1 16 VAL CG1 C -4.005 -12.309 3.215 . . . 1.0 . . . . . . . . . . . . A . 16 VAL CG1 . . . . . . . . . rr_1i6f 1 . 1 . 223 . 1 1 16 VAL CG2 C -3.049 -14.131 1.799 . . . 1.0 . . . . . . . . . . . . A . 16 VAL CG2 . . . . . . . . . rr_1i6f 1 . 1 . 224 . 1 1 16 VAL H H -3.215 -9.991 2.131 . . . 1.0 . . . . . . . . . . . . A . 16 VAL H . . . . . . . . . rr_1i6f 1 . 1 . 225 . 1 1 16 VAL HA H -2.446 -12.121 0.160 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HA . . . . . . . . . rr_1i6f 1 . 1 . 226 . 1 1 16 VAL HB H -1.951 -12.474 2.615 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HB . . . . . . . . . rr_1i6f 1 . 1 . 227 . 1 1 16 VAL HG11 H -3.625 -12.488 4.210 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG11 . . . . . . . . . rr_1i6f 1 . 1 . 228 . 1 1 16 VAL HG12 H -4.875 -12.927 3.046 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG12 . . . . . . . . . rr_1i6f 1 . 1 . 229 . 1 1 16 VAL HG13 H -4.276 -11.269 3.115 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG13 . . . . . . . . . rr_1i6f 1 . 1 . 230 . 1 1 16 VAL HG21 H -3.907 -14.563 2.293 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG21 . . . . . . . . . rr_1i6f 1 . 1 . 231 . 1 1 16 VAL HG22 H -2.157 -14.659 2.101 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG22 . . . . . . . . . rr_1i6f 1 . 1 . 232 . 1 1 16 VAL HG23 H -3.171 -14.213 0.729 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG23 . . . . . . . . . rr_1i6f 1 . 1 . 233 . 1 1 16 VAL N N -2.743 -10.408 1.380 . . . 1.0 . . . . . . . . . . . . A . 16 VAL N . . . . . . . . . rr_1i6f 1 . 1 . 234 . 1 1 16 VAL O O -5.000 -12.773 -0.150 . . . 1.0 . . . . . . . . . . . . A . 16 VAL O . . . . . . . . . rr_1i6f 1 . 1 . 235 . 1 1 17 ALA C C -7.156 -9.348 -0.058 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_1i6f 1 . 1 . 236 . 1 1 17 ALA CA C -6.742 -10.773 0.320 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_1i6f 1 . 1 . 237 . 1 1 17 ALA CB C -7.534 -11.257 1.535 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_1i6f 1 . 1 . 238 . 1 1 17 ALA H H -4.943 -10.040 1.256 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_1i6f 1 . 1 . 239 . 1 1 17 ALA HA H -6.894 -11.444 -0.510 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_1i6f 1 . 1 . 240 . 1 1 17 ALA HB1 H -7.033 -12.106 1.977 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_1i6f 1 . 1 . 241 . 1 1 17 ALA HB2 H -8.527 -11.547 1.225 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_1i6f 1 . 1 . 242 . 1 1 17 ALA HB3 H -7.602 -10.461 2.261 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_1i6f 1 . 1 . 243 . 1 1 17 ALA N N -5.315 -10.796 0.755 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_1i6f 1 . 1 . 244 . 1 1 17 ALA O O -6.606 -8.381 0.431 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_1i6f 1 . 1 . 245 . 1 1 18 ASN C C -9.299 -7.163 -0.177 . . . 1.0 . . . . . . . . . . . . A . 18 ASN C . . . . . . . . . rr_1i6f 1 . 1 . 246 . 1 1 18 ASN CA C -8.568 -7.849 -1.335 . . . 1.0 . . . . . . . . . . . . A . 18 ASN CA . . . . . . . . . rr_1i6f 1 . 1 . 247 . 1 1 18 ASN CB C -9.521 -8.081 -2.508 . . . 1.0 . . . . . . . . . . . . A . 18 ASN CB . . . . . . . . . rr_1i6f 1 . 1 . 248 . 1 1 18 ASN CG C -8.714 -8.242 -3.797 . . . 1.0 . . . . . . . . . . . . A . 18 ASN CG . . . . . . . . . rr_1i6f 1 . 1 . 249 . 1 1 18 ASN H H -8.551 -10.004 -1.309 . . . 1.0 . . . . . . . . . . . . A . 18 ASN H . . . . . . . . . rr_1i6f 1 . 1 . 250 . 1 1 18 ASN HA H -7.727 -7.256 -1.655 . . . 1.0 . . . . . . . . . . . . A . 18 ASN HA . . . . . . . . . rr_1i6f 1 . 1 . 251 . 1 1 18 ASN HB2 H -10.100 -8.976 -2.330 . . . 1.0 . . . . . . . . . . . . A . 18 ASN HB2 . . . . . . . . . rr_1i6f 1 . 1 . 252 . 1 1 18 ASN HB3 H -10.185 -7.235 -2.605 . . . 1.0 . . . . . . . . . . . . A . 18 ASN HB3 . . . . . . . . . rr_1i6f 1 . 1 . 253 . 1 1 18 ASN HD21 H -10.077 -9.390 -4.674 . . . 1.0 . . . . . . . . . . . . A . 18 ASN HD21 . . . . . . . . . rr_1i6f 1 . 1 . 254 . 1 1 18 ASN HD22 H -8.692 -9.070 -5.602 . . . 1.0 . . . . . . . . . . . . A . 18 ASN HD22 . . . . . . . . . rr_1i6f 1 . 1 . 255 . 1 1 18 ASN N N -8.121 -9.212 -0.926 . . . 1.0 . . . . . . . . . . . . A . 18 ASN N . . . . . . . . . rr_1i6f 1 . 1 . 256 . 1 1 18 ASN ND2 N -9.201 -8.961 -4.772 . . . 1.0 . . . . . . . . . . . . A . 18 ASN ND2 . . . . . . . . . rr_1i6f 1 . 1 . 257 . 1 1 18 ASN O O -9.055 -6.012 0.128 . . . 1.0 . . . . . . . . . . . . A . 18 ASN O . . . . . . . . . rr_1i6f 1 . 1 . 258 . 1 1 18 ASN OD1 O -7.629 -7.710 -3.919 . . . 1.0 . . . . . . . . . . . . A . 18 ASN OD1 . . . . . . . . . rr_1i6f 1 . 1 . 259 . 1 1 19 ASN C C -9.959 -6.604 2.594 . . . 1.0 . . . . . . . . . . . . A . 19 ASN C . . . . . . . . . rr_1i6f 1 . 1 . 260 . 1 1 19 ASN CA C -10.937 -7.247 1.607 . . . 1.0 . . . . . . . . . . . . A . 19 ASN CA . . . . . . . . . rr_1i6f 1 . 1 . 261 . 1 1 19 ASN CB C -11.679 -8.409 2.268 . . . 1.0 . . . . . . . . . . . . A . 19 ASN CB . . . . . . . . . rr_1i6f 1 . 1 . 262 . 1 1 19 ASN CG C -10.674 -9.482 2.692 . . . 1.0 . . . . . . . . . . . . A . 19 ASN CG . . . . . . . . . rr_1i6f 1 . 1 . 263 . 1 1 19 ASN H H -10.373 -8.787 0.209 . . . 1.0 . . . . . . . . . . . . A . 19 ASN H . . . . . . . . . rr_1i6f 1 . 1 . 264 . 1 1 19 ASN HA H -11.643 -6.517 1.245 . . . 1.0 . . . . . . . . . . . . A . 19 ASN HA . . . . . . . . . rr_1i6f 1 . 1 . 265 . 1 1 19 ASN HB2 H -12.211 -8.049 3.136 . . . 1.0 . . . . . . . . . . . . A . 19 ASN HB2 . . . . . . . . . rr_1i6f 1 . 1 . 266 . 1 1 19 ASN HB3 H -12.380 -8.834 1.566 . . . 1.0 . . . . . . . . . . . . A . 19 ASN HB3 . . . . . . . . . rr_1i6f 1 . 1 . 267 . 1 1 19 ASN HD21 H -11.897 -10.303 4.022 . . . 1.0 . . . . . . . . . . . . A . 19 ASN HD21 . . . . . . . . . rr_1i6f 1 . 1 . 268 . 1 1 19 ASN HD22 H -10.372 -11.037 3.889 . . . 1.0 . . . . . . . . . . . . A . 19 ASN HD22 . . . . . . . . . rr_1i6f 1 . 1 . 269 . 1 1 19 ASN N N -10.192 -7.860 0.470 . . . 1.0 . . . . . . . . . . . . A . 19 ASN N . . . . . . . . . rr_1i6f 1 . 1 . 270 . 1 1 19 ASN ND2 N -11.009 -10.346 3.611 . . . 1.0 . . . . . . . . . . . . A . 19 ASN ND2 . . . . . . . . . rr_1i6f 1 . 1 . 271 . 1 1 19 ASN O O -10.169 -5.503 3.064 . . . 1.0 . . . . . . . . . . . . A . 19 ASN O . . . . . . . . . rr_1i6f 1 . 1 . 272 . 1 1 19 ASN OD1 O -9.572 -9.535 2.181 . . . 1.0 . . . . . . . . . . . . A . 19 ASN OD1 . . . . . . . . . rr_1i6f 1 . 1 . 273 . 1 1 20 TYR C C -7.468 -5.314 3.411 . . . 1.0 . . . . . . . . . . . . A . 20 TYR C . . . . . . . . . rr_1i6f 1 . 1 . 274 . 1 1 20 TYR CA C -7.901 -6.709 3.870 . . . 1.0 . . . . . . . . . . . . A . 20 TYR CA . . . . . . . . . rr_1i6f 1 . 1 . 275 . 1 1 20 TYR CB C -6.716 -7.675 3.840 . . . 1.0 . . . . . . . . . . . . A . 20 TYR CB . . . . . . . . . rr_1i6f 1 . 1 . 276 . 1 1 20 TYR CD1 C -5.806 -6.221 5.687 . . . 1.0 . . . . . . . . . . . . A . 20 TYR CD1 . . . . . . . . . rr_1i6f 1 . 1 . 277 . 1 1 20 TYR CD2 C -4.245 -7.386 4.243 . . . 1.0 . . . . . . . . . . . . A . 20 TYR CD2 . . . . . . . . . rr_1i6f 1 . 1 . 278 . 1 1 20 TYR CE1 C -4.735 -5.669 6.400 . . . 1.0 . . . . . . . . . . . . A . 20 TYR CE1 . . . . . . . . . rr_1i6f 1 . 1 . 279 . 1 1 20 TYR CE2 C -3.174 -6.834 4.956 . . . 1.0 . . . . . . . . . . . . A . 20 TYR CE2 . . . . . . . . . rr_1i6f 1 . 1 . 280 . 1 1 20 TYR CG C -5.561 -7.080 4.609 . . . 1.0 . . . . . . . . . . . . A . 20 TYR CG . . . . . . . . . rr_1i6f 1 . 1 . 281 . 1 1 20 TYR CZ C -3.419 -5.976 6.034 . . . 1.0 . . . . . . . . . . . . A . 20 TYR CZ . . . . . . . . . rr_1i6f 1 . 1 . 282 . 1 1 20 TYR H H -8.739 -8.169 2.523 . . . 1.0 . . . . . . . . . . . . A . 20 TYR H . . . . . . . . . rr_1i6f 1 . 1 . 283 . 1 1 20 TYR HA H -8.317 -6.668 4.863 . . . 1.0 . . . . . . . . . . . . A . 20 TYR HA . . . . . . . . . rr_1i6f 1 . 1 . 284 . 1 1 20 TYR HB2 H -7.005 -8.613 4.292 . . . 1.0 . . . . . . . . . . . . A . 20 TYR HB2 . . . . . . . . . rr_1i6f 1 . 1 . 285 . 1 1 20 TYR HB3 H -6.416 -7.846 2.817 . . . 1.0 . . . . . . . . . . . . A . 20 TYR HB3 . . . . . . . . . rr_1i6f 1 . 1 . 286 . 1 1 20 TYR HD1 H -6.822 -5.984 5.969 . . . 1.0 . . . . . . . . . . . . A . 20 TYR HD1 . . . . . . . . . rr_1i6f 1 . 1 . 287 . 1 1 20 TYR HD2 H -4.055 -8.049 3.412 . . . 1.0 . . . . . . . . . . . . A . 20 TYR HD2 . . . . . . . . . rr_1i6f 1 . 1 . 288 . 1 1 20 TYR HE1 H -4.924 -5.006 7.231 . . . 1.0 . . . . . . . . . . . . A . 20 TYR HE1 . . . . . . . . . rr_1i6f 1 . 1 . 289 . 1 1 20 TYR HE2 H -2.158 -7.071 4.675 . . . 1.0 . . . . . . . . . . . . A . 20 TYR HE2 . . . . . . . . . rr_1i6f 1 . 1 . 290 . 1 1 20 TYR HH H -2.198 -5.988 7.502 . . . 1.0 . . . . . . . . . . . . A . 20 TYR HH . . . . . . . . . rr_1i6f 1 . 1 . 291 . 1 1 20 TYR N N -8.890 -7.282 2.913 . . . 1.0 . . . . . . . . . . . . A . 20 TYR N . . . . . . . . . rr_1i6f 1 . 1 . 292 . 1 1 20 TYR O O -7.556 -4.352 4.148 . . . 1.0 . . . . . . . . . . . . A . 20 TYR O . . . . . . . . . rr_1i6f 1 . 1 . 293 . 1 1 20 TYR OH O -2.363 -5.431 6.737 . . . 1.0 . . . . . . . . . . . . A . 20 TYR OH . . . . . . . . . rr_1i6f 1 . 1 . 294 . 1 1 21 CYS C C -7.755 -2.907 1.622 . . . 1.0 . . . . . . . . . . . . A . 21 CYS C . . . . . . . . . rr_1i6f 1 . 1 . 295 . 1 1 21 CYS CA C -6.562 -3.863 1.694 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CA . . . . . . . . . rr_1i6f 1 . 1 . 296 . 1 1 21 CYS CB C -6.005 -4.133 0.295 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CB . . . . . . . . . rr_1i6f 1 . 1 . 297 . 1 1 21 CYS H H -6.937 -5.985 1.619 . . . 1.0 . . . . . . . . . . . . A . 21 CYS H . . . . . . . . . rr_1i6f 1 . 1 . 298 . 1 1 21 CYS HA H -5.789 -3.456 2.326 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HA . . . . . . . . . rr_1i6f 1 . 1 . 299 . 1 1 21 CYS HB2 H -6.590 -4.904 -0.182 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB2 . . . . . . . . . rr_1i6f 1 . 1 . 300 . 1 1 21 CYS HB3 H -6.055 -3.228 -0.292 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB3 . . . . . . . . . rr_1i6f 1 . 1 . 301 . 1 1 21 CYS N N -7.000 -5.197 2.198 . . . 1.0 . . . . . . . . . . . . A . 21 CYS N . . . . . . . . . rr_1i6f 1 . 1 . 302 . 1 1 21 CYS O O -7.654 -1.746 1.966 . . . 1.0 . . . . . . . . . . . . A . 21 CYS O . . . . . . . . . rr_1i6f 1 . 1 . 303 . 1 1 21 CYS SG S -4.283 -4.674 0.426 . . . 1.0 . . . . . . . . . . . . A . 21 CYS SG . . . . . . . . . rr_1i6f 1 . 1 . 304 . 1 1 22 ASP C C -10.264 -1.716 2.386 . . . 1.0 . . . . . . . . . . . . A . 22 ASP C . . . . . . . . . rr_1i6f 1 . 1 . 305 . 1 1 22 ASP CA C -10.083 -2.502 1.084 . . . 1.0 . . . . . . . . . . . . A . 22 ASP CA . . . . . . . . . rr_1i6f 1 . 1 . 306 . 1 1 22 ASP CB C -11.260 -3.453 0.863 . . . 1.0 . . . . . . . . . . . . A . 22 ASP CB . . . . . . . . . rr_1i6f 1 . 1 . 307 . 1 1 22 ASP CG C -12.506 -2.646 0.491 . . . 1.0 . . . . . . . . . . . . A . 22 ASP CG . . . . . . . . . rr_1i6f 1 . 1 . 308 . 1 1 22 ASP H H -8.946 -4.324 0.904 . . . 1.0 . . . . . . . . . . . . A . 22 ASP H . . . . . . . . . rr_1i6f 1 . 1 . 309 . 1 1 22 ASP HA H -9.991 -1.828 0.247 . . . 1.0 . . . . . . . . . . . . A . 22 ASP HA . . . . . . . . . rr_1i6f 1 . 1 . 310 . 1 1 22 ASP HB2 H -11.022 -4.139 0.063 . . . 1.0 . . . . . . . . . . . . A . 22 ASP HB2 . . . . . . . . . rr_1i6f 1 . 1 . 311 . 1 1 22 ASP HB3 H -11.450 -4.007 1.769 . . . 1.0 . . . . . . . . . . . . A . 22 ASP HB3 . . . . . . . . . rr_1i6f 1 . 1 . 312 . 1 1 22 ASP N N -8.885 -3.385 1.177 . . . 1.0 . . . . . . . . . . . . A . 22 ASP N . . . . . . . . . rr_1i6f 1 . 1 . 313 . 1 1 22 ASP O O -10.320 -0.503 2.388 . . . 1.0 . . . . . . . . . . . . A . 22 ASP O . . . . . . . . . rr_1i6f 1 . 1 . 314 . 1 1 22 ASP OD1 O -12.397 -1.788 -0.369 . . . 1.0 . . . . . . . . . . . . A . 22 ASP OD1 . . . . . . . . . rr_1i6f 1 . 1 . 315 . 1 1 22 ASP OD2 O -13.547 -2.901 1.073 . . . 1.0 . . . . . . . . . . . . A . 22 ASP OD2 . . . . . . . . . rr_1i6f 1 . 1 . 316 . 1 1 23 ASN C C -9.322 -0.802 5.082 . . . 1.0 . . . . . . . . . . . . A . 23 ASN C . . . . . . . . . rr_1i6f 1 . 1 . 317 . 1 1 23 ASN CA C -10.534 -1.692 4.794 . . . 1.0 . . . . . . . . . . . . A . 23 ASN CA . . . . . . . . . rr_1i6f 1 . 1 . 318 . 1 1 23 ASN CB C -10.644 -2.804 5.838 . . . 1.0 . . . . . . . . . . . . A . 23 ASN CB . . . . . . . . . rr_1i6f 1 . 1 . 319 . 1 1 23 ASN CG C -11.190 -2.225 7.145 . . . 1.0 . . . . . . . . . . . . A . 23 ASN CG . . . . . . . . . rr_1i6f 1 . 1 . 320 . 1 1 23 ASN H H -10.309 -3.379 3.471 . . . 1.0 . . . . . . . . . . . . A . 23 ASN H . . . . . . . . . rr_1i6f 1 . 1 . 321 . 1 1 23 ASN HA H -11.439 -1.106 4.784 . . . 1.0 . . . . . . . . . . . . A . 23 ASN HA . . . . . . . . . rr_1i6f 1 . 1 . 322 . 1 1 23 ASN HB2 H -11.311 -3.573 5.476 . . . 1.0 . . . . . . . . . . . . A . 23 ASN HB2 . . . . . . . . . rr_1i6f 1 . 1 . 323 . 1 1 23 ASN HB3 H -9.667 -3.228 6.016 . . . 1.0 . . . . . . . . . . . . A . 23 ASN HB3 . . . . . . . . . rr_1i6f 1 . 1 . 324 . 1 1 23 ASN HD21 H -11.153 -3.968 8.097 . . . 1.0 . . . . . . . . . . . . A . 23 ASN HD21 . . . . . . . . . rr_1i6f 1 . 1 . 325 . 1 1 23 ASN HD22 H -11.719 -2.654 9.010 . . . 1.0 . . . . . . . . . . . . A . 23 ASN HD22 . . . . . . . . . rr_1i6f 1 . 1 . 326 . 1 1 23 ASN N N -10.357 -2.400 3.494 . . . 1.0 . . . . . . . . . . . . A . 23 ASN N . . . . . . . . . rr_1i6f 1 . 1 . 327 . 1 1 23 ASN ND2 N -11.369 -3.014 8.169 . . . 1.0 . . . . . . . . . . . . A . 23 ASN ND2 . . . . . . . . . rr_1i6f 1 . 1 . 328 . 1 1 23 ASN O O -9.446 0.393 5.261 . . . 1.0 . . . . . . . . . . . . A . 23 ASN O . . . . . . . . . rr_1i6f 1 . 1 . 329 . 1 1 23 ASN OD1 O -11.458 -1.044 7.235 . . . 1.0 . . . . . . . . . . . . A . 23 ASN OD1 . . . . . . . . . rr_1i6f 1 . 1 . 330 . 1 1 24 GLN C C -6.942 0.712 4.553 . . . 1.0 . . . . . . . . . . . . A . 24 GLN C . . . . . . . . . rr_1i6f 1 . 1 . 331 . 1 1 24 GLN CA C -6.932 -0.561 5.404 . . . 1.0 . . . . . . . . . . . . A . 24 GLN CA . . . . . . . . . rr_1i6f 1 . 1 . 332 . 1 1 24 GLN CB C -5.759 -1.459 5.012 . . . 1.0 . . . . . . . . . . . . A . 24 GLN CB . . . . . . . . . rr_1i6f 1 . 1 . 333 . 1 1 24 GLN CD C -4.365 -1.065 7.048 . . . 1.0 . . . . . . . . . . . . A . 24 GLN CD . . . . . . . . . rr_1i6f 1 . 1 . 334 . 1 1 24 GLN CG C -4.455 -0.854 5.535 . . . 1.0 . . . . . . . . . . . . A . 24 GLN CG . . . . . . . . . rr_1i6f 1 . 1 . 335 . 1 1 24 GLN H H -8.072 -2.341 4.980 . . . 1.0 . . . . . . . . . . . . A . 24 GLN H . . . . . . . . . rr_1i6f 1 . 1 . 336 . 1 1 24 GLN HA H -6.873 -0.315 6.452 . . . 1.0 . . . . . . . . . . . . A . 24 GLN HA . . . . . . . . . rr_1i6f 1 . 1 . 337 . 1 1 24 GLN HB2 H -5.898 -2.441 5.440 . . . 1.0 . . . . . . . . . . . . A . 24 GLN HB2 . . . . . . . . . rr_1i6f 1 . 1 . 338 . 1 1 24 GLN HB3 H -5.710 -1.539 3.936 . . . 1.0 . . . . . . . . . . . . A . 24 GLN HB3 . . . . . . . . . rr_1i6f 1 . 1 . 339 . 1 1 24 GLN HE21 H -4.582 0.862 7.473 . . . 1.0 . . . . . . . . . . . . A . 24 GLN HE21 . . . . . . . . . rr_1i6f 1 . 1 . 340 . 1 1 24 GLN HE22 H -4.400 -0.161 8.815 . . . 1.0 . . . . . . . . . . . . A . 24 GLN HE22 . . . . . . . . . rr_1i6f 1 . 1 . 341 . 1 1 24 GLN HG2 H -3.616 -1.335 5.053 . . . 1.0 . . . . . . . . . . . . A . 24 GLN HG2 . . . . . . . . . rr_1i6f 1 . 1 . 342 . 1 1 24 GLN HG3 H -4.436 0.204 5.320 . . . 1.0 . . . . . . . . . . . . A . 24 GLN HG3 . . . . . . . . . rr_1i6f 1 . 1 . 343 . 1 1 24 GLN N N -8.151 -1.375 5.128 . . . 1.0 . . . . . . . . . . . . A . 24 GLN N . . . . . . . . . rr_1i6f 1 . 1 . 344 . 1 1 24 GLN NE2 N -4.456 -0.036 7.845 . . . 1.0 . . . . . . . . . . . . A . 24 GLN NE2 . . . . . . . . . rr_1i6f 1 . 1 . 345 . 1 1 24 GLN O O -6.995 1.812 5.066 . . . 1.0 . . . . . . . . . . . . A . 24 GLN O . . . . . . . . . rr_1i6f 1 . 1 . 346 . 1 1 24 GLN OE1 O -4.209 -2.178 7.509 . . . 1.0 . . . . . . . . . . . . A . 24 GLN OE1 . . . . . . . . . rr_1i6f 1 . 1 . 347 . 1 1 25 CYS C C -8.002 2.741 2.809 . . . 1.0 . . . . . . . . . . . . A . 25 CYS C . . . . . . . . . rr_1i6f 1 . 1 . 348 . 1 1 25 CYS CA C -6.898 1.774 2.375 . . . 1.0 . . . . . . . . . . . . A . 25 CYS CA . . . . . . . . . rr_1i6f 1 . 1 . 349 . 1 1 25 CYS CB C -7.176 1.235 0.972 . . . 1.0 . . . . . . . . . . . . A . 25 CYS CB . . . . . . . . . rr_1i6f 1 . 1 . 350 . 1 1 25 CYS H H -6.849 -0.325 2.863 . . . 1.0 . . . . . . . . . . . . A . 25 CYS H . . . . . . . . . rr_1i6f 1 . 1 . 351 . 1 1 25 CYS HA H -5.937 2.263 2.398 . . . 1.0 . . . . . . . . . . . . A . 25 CYS HA . . . . . . . . . rr_1i6f 1 . 1 . 352 . 1 1 25 CYS HB2 H -8.092 0.662 0.982 . . . 1.0 . . . . . . . . . . . . A . 25 CYS HB2 . . . . . . . . . rr_1i6f 1 . 1 . 353 . 1 1 25 CYS HB3 H -7.275 2.060 0.283 . . . 1.0 . . . . . . . . . . . . A . 25 CYS HB3 . . . . . . . . . rr_1i6f 1 . 1 . 354 . 1 1 25 CYS N N -6.891 0.571 3.257 . . . 1.0 . . . . . . . . . . . . A . 25 CYS N . . . . . . . . . rr_1i6f 1 . 1 . 355 . 1 1 25 CYS O O -7.765 3.913 3.027 . . . 1.0 . . . . . . . . . . . . A . 25 CYS O . . . . . . . . . rr_1i6f 1 . 1 . 356 . 1 1 25 CYS SG S -5.806 0.173 0.450 . . . 1.0 . . . . . . . . . . . . A . 25 CYS SG . . . . . . . . . rr_1i6f 1 . 1 . 357 . 1 1 26 LYS C C -9.903 4.008 4.550 . . . 1.0 . . . . . . . . . . . . A . 26 LYS C . . . . . . . . . rr_1i6f 1 . 1 . 358 . 1 1 26 LYS CA C -10.328 3.154 3.353 . . . 1.0 . . . . . . . . . . . . A . 26 LYS CA . . . . . . . . . rr_1i6f 1 . 1 . 359 . 1 1 26 LYS CB C -11.464 2.208 3.744 . . . 1.0 . . . . . . . . . . . . A . 26 LYS CB . . . . . . . . . rr_1i6f 1 . 1 . 360 . 1 1 26 LYS CD C -13.949 2.417 3.588 . . . 1.0 . . . . . . . . . . . . A . 26 LYS CD . . . . . . . . . rr_1i6f 1 . 1 . 361 . 1 1 26 LYS CE C -14.942 3.532 3.252 . . . 1.0 . . . . . . . . . . . . A . 26 LYS CE . . . . . . . . . rr_1i6f 1 . 1 . 362 . 1 1 26 LYS CG C -12.680 3.026 4.186 . . . 1.0 . . . . . . . . . . . . A . 26 LYS CG . . . . . . . . . rr_1i6f 1 . 1 . 363 . 1 1 26 LYS H H -9.380 1.313 2.753 . . . 1.0 . . . . . . . . . . . . A . 26 LYS H . . . . . . . . . rr_1i6f 1 . 1 . 364 . 1 1 26 LYS HA H -10.637 3.781 2.532 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HA . . . . . . . . . rr_1i6f 1 . 1 . 365 . 1 1 26 LYS HB2 H -11.730 1.595 2.895 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HB2 . . . . . . . . . rr_1i6f 1 . 1 . 366 . 1 1 26 LYS HB3 H -11.143 1.577 4.558 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HB3 . . . . . . . . . rr_1i6f 1 . 1 . 367 . 1 1 26 LYS HD2 H -13.698 1.874 2.688 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HD2 . . . . . . . . . rr_1i6f 1 . 1 . 368 . 1 1 26 LYS HD3 H -14.397 1.742 4.302 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HD3 . . . . . . . . . rr_1i6f 1 . 1 . 369 . 1 1 26 LYS HE2 H -15.317 3.985 4.160 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HE2 . . . . . . . . . rr_1i6f 1 . 1 . 370 . 1 1 26 LYS HE3 H -14.476 4.274 2.623 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HE3 . . . . . . . . . rr_1i6f 1 . 1 . 371 . 1 1 26 LYS HG2 H -12.747 3.015 5.264 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HG2 . . . . . . . . . rr_1i6f 1 . 1 . 372 . 1 1 26 LYS HG3 H -12.574 4.043 3.841 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HG3 . . . . . . . . . rr_1i6f 1 . 1 . 373 . 1 1 26 LYS HZ1 H -15.645 2.135 1.878 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HZ1 . . . . . . . . . rr_1i6f 1 . 1 . 374 . 1 1 26 LYS HZ2 H -16.569 3.559 1.954 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HZ2 . . . . . . . . . rr_1i6f 1 . 1 . 375 . 1 1 26 LYS HZ3 H -16.687 2.399 3.190 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HZ3 . . . . . . . . . rr_1i6f 1 . 1 . 376 . 1 1 26 LYS N N -9.209 2.261 2.934 . . . 1.0 . . . . . . . . . . . . A . 26 LYS N . . . . . . . . . rr_1i6f 1 . 1 . 377 . 1 1 26 LYS NZ N -16.044 2.855 2.513 . . . 1.0 . . . . . . . . . . . . A . 26 LYS NZ . . . . . . . . . rr_1i6f 1 . 1 . 378 . 1 1 26 LYS O O -10.035 5.216 4.542 . . . 1.0 . . . . . . . . . . . . A . 26 LYS O . . . . . . . . . rr_1i6f 1 . 1 . 379 . 1 1 27 MET C C -7.928 5.225 6.376 . . . 1.0 . . . . . . . . . . . . A . 27 MET C . . . . . . . . . rr_1i6f 1 . 1 . 380 . 1 1 27 MET CA C -8.961 4.168 6.777 . . . 1.0 . . . . . . . . . . . . A . 27 MET CA . . . . . . . . . rr_1i6f 1 . 1 . 381 . 1 1 27 MET CB C -8.335 3.135 7.716 . . . 1.0 . . . . . . . . . . . . A . 27 MET CB . . . . . . . . . rr_1i6f 1 . 1 . 382 . 1 1 27 MET CE C -7.571 0.736 9.585 . . . 1.0 . . . . . . . . . . . . A . 27 MET CE . . . . . . . . . rr_1i6f 1 . 1 . 383 . 1 1 27 MET CG C -9.424 2.201 8.246 . . . 1.0 . . . . . . . . . . . . A . 27 MET CG . . . . . . . . . rr_1i6f 1 . 1 . 384 . 1 1 27 MET H H -9.295 2.415 5.568 . . . 1.0 . . . . . . . . . . . . A . 27 MET H . . . . . . . . . rr_1i6f 1 . 1 . 385 . 1 1 27 MET HA H -9.810 4.631 7.253 . . . 1.0 . . . . . . . . . . . . A . 27 MET HA . . . . . . . . . rr_1i6f 1 . 1 . 386 . 1 1 27 MET HB2 H -7.596 2.560 7.176 . . . 1.0 . . . . . . . . . . . . A . 27 MET HB2 . . . . . . . . . rr_1i6f 1 . 1 . 387 . 1 1 27 MET HB3 H -7.863 3.641 8.544 . . . 1.0 . . . . . . . . . . . . A . 27 MET HB3 . . . . . . . . . rr_1i6f 1 . 1 . 388 . 1 1 27 MET HE1 H -7.153 0.359 10.508 . . . 1.0 . . . . . . . . . . . . A . 27 MET HE1 . . . . . . . . . rr_1i6f 1 . 1 . 389 . 1 1 27 MET HE2 H -6.837 1.346 9.083 . . . 1.0 . . . . . . . . . . . . A . 27 MET HE2 . . . . . . . . . rr_1i6f 1 . 1 . 390 . 1 1 27 MET HE3 H -7.848 -0.090 8.944 . . . 1.0 . . . . . . . . . . . . A . 27 MET HE3 . . . . . . . . . rr_1i6f 1 . 1 . 391 . 1 1 27 MET HG2 H -10.377 2.707 8.219 . . . 1.0 . . . . . . . . . . . . A . 27 MET HG2 . . . . . . . . . rr_1i6f 1 . 1 . 392 . 1 1 27 MET HG3 H -9.469 1.315 7.629 . . . 1.0 . . . . . . . . . . . . A . 27 MET HG3 . . . . . . . . . rr_1i6f 1 . 1 . 393 . 1 1 27 MET N N -9.393 3.390 5.581 . . . 1.0 . . . . . . . . . . . . A . 27 MET N . . . . . . . . . rr_1i6f 1 . 1 . 394 . 1 1 27 MET O O -7.824 6.268 6.989 . . . 1.0 . . . . . . . . . . . . A . 27 MET O . . . . . . . . . rr_1i6f 1 . 1 . 395 . 1 1 27 MET SD S -9.038 1.730 9.950 . . . 1.0 . . . . . . . . . . . . A . 27 MET SD . . . . . . . . . rr_1i6f 1 . 1 . 396 . 1 1 28 LYS C C -6.752 6.945 3.921 . . . 1.0 . . . . . . . . . . . . A . 28 LYS C . . . . . . . . . rr_1i6f 1 . 1 . 397 . 1 1 28 LYS CA C -6.139 5.953 4.913 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CA . . . . . . . . . rr_1i6f 1 . 1 . 398 . 1 1 28 LYS CB C -5.049 5.121 4.235 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CB . . . . . . . . . rr_1i6f 1 . 1 . 399 . 1 1 28 LYS CD C -2.817 4.612 5.236 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CD . . . . . . . . . rr_1i6f 1 . 1 . 400 . 1 1 28 LYS CE C -2.089 3.832 6.333 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CE . . . . . . . . . rr_1i6f 1 . 1 . 401 . 1 1 28 LYS CG C -4.312 4.290 5.286 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CG . . . . . . . . . rr_1i6f 1 . 1 . 402 . 1 1 28 LYS H H -7.264 4.115 4.870 . . . 1.0 . . . . . . . . . . . . A . 28 LYS H . . . . . . . . . rr_1i6f 1 . 1 . 403 . 1 1 28 LYS HA H -5.729 6.473 5.764 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HA . . . . . . . . . rr_1i6f 1 . 1 . 404 . 1 1 28 LYS HB2 H -5.501 4.463 3.506 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB2 . . . . . . . . . rr_1i6f 1 . 1 . 405 . 1 1 28 LYS HB3 H -4.349 5.778 3.742 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB3 . . . . . . . . . rr_1i6f 1 . 1 . 406 . 1 1 28 LYS HD2 H -2.421 4.332 4.270 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD2 . . . . . . . . . rr_1i6f 1 . 1 . 407 . 1 1 28 LYS HD3 H -2.671 5.670 5.392 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD3 . . . . . . . . . rr_1i6f 1 . 1 . 408 . 1 1 28 LYS HE2 H -2.791 3.500 7.086 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE2 . . . . . . . . . rr_1i6f 1 . 1 . 409 . 1 1 28 LYS HE3 H -1.563 2.990 5.911 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE3 . . . . . . . . . rr_1i6f 1 . 1 . 410 . 1 1 28 LYS HG2 H -4.699 4.526 6.267 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG2 . . . . . . . . . rr_1i6f 1 . 1 . 411 . 1 1 28 LYS HG3 H -4.459 3.240 5.084 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG3 . . . . . . . . . rr_1i6f 1 . 1 . 412 . 1 1 28 LYS HZ1 H -0.284 4.867 6.299 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ1 . . . . . . . . . rr_1i6f 1 . 1 . 413 . 1 1 28 LYS HZ2 H -0.830 4.477 7.860 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ2 . . . . . . . . . rr_1i6f 1 . 1 . 414 . 1 1 28 LYS HZ3 H -1.566 5.737 6.990 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ3 . . . . . . . . . rr_1i6f 1 . 1 . 415 . 1 1 28 LYS N N -7.164 4.962 5.351 . . . 1.0 . . . . . . . . . . . . A . 28 LYS N . . . . . . . . . rr_1i6f 1 . 1 . 416 . 1 1 28 LYS NZ N -1.119 4.801 6.914 . . . 1.0 . . . . . . . . . . . . A . 28 LYS NZ . . . . . . . . . rr_1i6f 1 . 1 . 417 . 1 1 28 LYS O O -6.055 7.603 3.175 . . . 1.0 . . . . . . . . . . . . A . 28 LYS O . . . . . . . . . rr_1i6f 1 . 1 . 418 . 1 1 29 LYS C C -8.481 7.560 1.519 . . . 1.0 . . . . . . . . . . . . A . 29 LYS C . . . . . . . . . rr_1i6f 1 . 1 . 419 . 1 1 29 LYS CA C -8.708 8.009 2.965 . . . 1.0 . . . . . . . . . . . . A . 29 LYS CA . . . . . . . . . rr_1i6f 1 . 1 . 420 . 1 1 29 LYS CB C -8.030 9.354 3.222 . . . 1.0 . . . . . . . . . . . . A . 29 LYS CB . . . . . . . . . rr_1i6f 1 . 1 . 421 . 1 1 29 LYS CD C -8.301 11.835 3.090 . . . 1.0 . . . . . . . . . . . . A . 29 LYS CD . . . . . . . . . rr_1i6f 1 . 1 . 422 . 1 1 29 LYS CE C -9.273 12.804 3.766 . . . 1.0 . . . . . . . . . . . . A . 29 LYS CE . . . . . . . . . rr_1i6f 1 . 1 . 423 . 1 1 29 LYS CG C -8.993 10.489 2.868 . . . 1.0 . . . . . . . . . . . . A . 29 LYS CG . . . . . . . . . rr_1i6f 1 . 1 . 424 . 1 1 29 LYS H H -8.597 6.519 4.519 . . . 1.0 . . . . . . . . . . . . A . 29 LYS H . . . . . . . . . rr_1i6f 1 . 1 . 425 . 1 1 29 LYS HA H -9.763 8.082 3.176 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HA . . . . . . . . . rr_1i6f 1 . 1 . 426 . 1 1 29 LYS HB2 H -7.756 9.425 4.265 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HB2 . . . . . . . . . rr_1i6f 1 . 1 . 427 . 1 1 29 LYS HB3 H -7.143 9.434 2.611 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HB3 . . . . . . . . . rr_1i6f 1 . 1 . 428 . 1 1 29 LYS HD2 H -7.434 11.694 3.719 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HD2 . . . . . . . . . rr_1i6f 1 . 1 . 429 . 1 1 29 LYS HD3 H -7.994 12.243 2.138 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HD3 . . . . . . . . . rr_1i6f 1 . 1 . 430 . 1 1 29 LYS HE2 H -10.295 12.504 3.576 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HE2 . . . . . . . . . rr_1i6f 1 . 1 . 431 . 1 1 29 LYS HE3 H -9.083 12.848 4.828 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HE3 . . . . . . . . . rr_1i6f 1 . 1 . 432 . 1 1 29 LYS HG2 H -9.288 10.400 1.832 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HG2 . . . . . . . . . rr_1i6f 1 . 1 . 433 . 1 1 29 LYS HG3 H -9.868 10.428 3.498 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HG3 . . . . . . . . . rr_1i6f 1 . 1 . 434 . 1 1 29 LYS HZ1 H -9.275 14.885 3.796 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HZ1 . . . . . . . . . rr_1i6f 1 . 1 . 435 . 1 1 29 LYS HZ2 H -9.531 14.213 2.256 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HZ2 . . . . . . . . . rr_1i6f 1 . 1 . 436 . 1 1 29 LYS HZ3 H -7.976 14.207 2.941 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HZ3 . . . . . . . . . rr_1i6f 1 . 1 . 437 . 1 1 29 LYS N N -8.052 7.058 3.908 . . . 1.0 . . . . . . . . . . . . A . 29 LYS N . . . . . . . . . rr_1i6f 1 . 1 . 438 . 1 1 29 LYS NZ N -8.993 14.127 3.143 . . . 1.0 . . . . . . . . . . . . A . 29 LYS NZ . . . . . . . . . rr_1i6f 1 . 1 . 439 . 1 1 29 LYS O O -8.270 8.366 0.634 . . . 1.0 . . . . . . . . . . . . A . 29 LYS O . . . . . . . . . rr_1i6f 1 . 1 . 440 . 1 1 30 ALA C C -9.622 5.261 -0.702 . . . 1.0 . . . . . . . . . . . . A . 30 ALA C . . . . . . . . . rr_1i6f 1 . 1 . 441 . 1 1 30 ALA CA C -8.306 5.781 -0.117 . . . 1.0 . . . . . . . . . . . . A . 30 ALA CA . . . . . . . . . rr_1i6f 1 . 1 . 442 . 1 1 30 ALA CB C -7.294 4.643 0.022 . . . 1.0 . . . . . . . . . . . . A . 30 ALA CB . . . . . . . . . rr_1i6f 1 . 1 . 443 . 1 1 30 ALA H H -8.691 5.645 1.999 . . . 1.0 . . . . . . . . . . . . A . 30 ALA H . . . . . . . . . rr_1i6f 1 . 1 . 444 . 1 1 30 ALA HA H -7.899 6.562 -0.740 . . . 1.0 . . . . . . . . . . . . A . 30 ALA HA . . . . . . . . . rr_1i6f 1 . 1 . 445 . 1 1 30 ALA HB1 H -7.396 3.967 -0.814 . . . 1.0 . . . . . . . . . . . . A . 30 ALA HB1 . . . . . . . . . rr_1i6f 1 . 1 . 446 . 1 1 30 ALA HB2 H -7.479 4.108 0.942 . . . 1.0 . . . . . . . . . . . . A . 30 ALA HB2 . . . . . . . . . rr_1i6f 1 . 1 . 447 . 1 1 30 ALA HB3 H -6.294 5.051 0.037 . . . 1.0 . . . . . . . . . . . . A . 30 ALA HB3 . . . . . . . . . rr_1i6f 1 . 1 . 448 . 1 1 30 ALA N N -8.521 6.279 1.272 . . . 1.0 . . . . . . . . . . . . A . 30 ALA N . . . . . . . . . rr_1i6f 1 . 1 . 449 . 1 1 30 ALA O O -10.556 4.961 0.016 . . . 1.0 . . . . . . . . . . . . A . 30 ALA O . . . . . . . . . rr_1i6f 1 . 1 . 450 . 1 1 31 SER C C -10.709 3.306 -3.313 . . . 1.0 . . . . . . . . . . . . A . 31 SER C . . . . . . . . . rr_1i6f 1 . 1 . 451 . 1 1 31 SER CA C -10.960 4.652 -2.628 . . . 1.0 . . . . . . . . . . . . A . 31 SER CA . . . . . . . . . rr_1i6f 1 . 1 . 452 . 1 1 31 SER CB C -11.338 5.715 -3.659 . . . 1.0 . . . . . . . . . . . . A . 31 SER CB . . . . . . . . . rr_1i6f 1 . 1 . 453 . 1 1 31 SER H H -8.940 5.400 -2.561 . . . 1.0 . . . . . . . . . . . . A . 31 SER H . . . . . . . . . rr_1i6f 1 . 1 . 454 . 1 1 31 SER HA H -11.741 4.560 -1.890 . . . 1.0 . . . . . . . . . . . . A . 31 SER HA . . . . . . . . . rr_1i6f 1 . 1 . 455 . 1 1 31 SER HB2 H -12.085 6.371 -3.245 . . . 1.0 . . . . . . . . . . . . A . 31 SER HB2 . . . . . . . . . rr_1i6f 1 . 1 . 456 . 1 1 31 SER HB3 H -10.460 6.292 -3.917 . . . 1.0 . . . . . . . . . . . . A . 31 SER HB3 . . . . . . . . . rr_1i6f 1 . 1 . 457 . 1 1 31 SER HG H -11.681 5.645 -5.572 . . . 1.0 . . . . . . . . . . . . A . 31 SER HG . . . . . . . . . rr_1i6f 1 . 1 . 458 . 1 1 31 SER N N -9.704 5.152 -2.000 . . . 1.0 . . . . . . . . . . . . A . 31 SER N . . . . . . . . . rr_1i6f 1 . 1 . 459 . 1 1 31 SER O O -11.568 2.447 -3.350 . . . 1.0 . . . . . . . . . . . . A . 31 SER O . . . . . . . . . rr_1i6f 1 . 1 . 460 . 1 1 31 SER OG O -11.863 5.080 -4.817 . . . 1.0 . . . . . . . . . . . . A . 31 SER OG . . . . . . . . . rr_1i6f 1 . 1 . 461 . 1 1 32 GLY C C -8.247 1.019 -3.691 . . . 1.0 . . . . . . . . . . . . A . 32 GLY C . . . . . . . . . rr_1i6f 1 . 1 . 462 . 1 1 32 GLY CA C -9.233 1.825 -4.538 . . . 1.0 . . . . . . . . . . . . A . 32 GLY CA . . . . . . . . . rr_1i6f 1 . 1 . 463 . 1 1 32 GLY H H -8.858 3.820 -3.816 . . . 1.0 . . . . . . . . . . . . A . 32 GLY H . . . . . . . . . rr_1i6f 1 . 1 . 464 . 1 1 32 GLY HA2 H -10.147 1.261 -4.664 . . . 1.0 . . . . . . . . . . . . A . 32 GLY HA2 . . . . . . . . . rr_1i6f 1 . 1 . 465 . 1 1 32 GLY HA3 H -8.795 2.022 -5.504 . . . 1.0 . . . . . . . . . . . . A . 32 GLY HA3 . . . . . . . . . rr_1i6f 1 . 1 . 466 . 1 1 32 GLY N N -9.538 3.115 -3.856 . . . 1.0 . . . . . . . . . . . . A . 32 GLY N . . . . . . . . . rr_1i6f 1 . 1 . 467 . 1 1 32 GLY O O -7.055 1.036 -3.925 . . . 1.0 . . . . . . . . . . . . A . 32 GLY O . . . . . . . . . rr_1i6f 1 . 1 . 468 . 1 1 33 GLY C C -7.948 -1.972 -2.213 . . . 1.0 . . . . . . . . . . . . A . 33 GLY C . . . . . . . . . rr_1i6f 1 . 1 . 469 . 1 1 33 GLY CA C -7.822 -0.493 -1.846 . . . 1.0 . . . . . . . . . . . . A . 33 GLY CA . . . . . . . . . rr_1i6f 1 . 1 . 470 . 1 1 33 GLY H H -9.698 0.313 -2.534 . . . 1.0 . . . . . . . . . . . . A . 33 GLY H . . . . . . . . . rr_1i6f 1 . 1 . 471 . 1 1 33 GLY HA2 H -6.803 -0.168 -1.999 . . . 1.0 . . . . . . . . . . . . A . 33 GLY HA2 . . . . . . . . . rr_1i6f 1 . 1 . 472 . 1 1 33 GLY HA3 H -8.092 -0.358 -0.810 . . . 1.0 . . . . . . . . . . . . A . 33 GLY HA3 . . . . . . . . . rr_1i6f 1 . 1 . 473 . 1 1 33 GLY N N -8.733 0.313 -2.707 . . . 1.0 . . . . . . . . . . . . A . 33 GLY N . . . . . . . . . rr_1i6f 1 . 1 . 474 . 1 1 33 GLY O O -9.006 -2.560 -2.110 . . . 1.0 . . . . . . . . . . . . A . 33 GLY O . . . . . . . . . rr_1i6f 1 . 1 . 475 . 1 1 34 HIS C C -5.545 -4.657 -2.898 . . . 1.0 . . . . . . . . . . . . A . 34 HIS C . . . . . . . . . rr_1i6f 1 . 1 . 476 . 1 1 34 HIS CA C -6.934 -4.023 -3.013 . . . 1.0 . . . . . . . . . . . . A . 34 HIS CA . . . . . . . . . rr_1i6f 1 . 1 . 477 . 1 1 34 HIS CB C -7.413 -4.038 -4.465 . . . 1.0 . . . . . . . . . . . . A . 34 HIS CB . . . . . . . . . rr_1i6f 1 . 1 . 478 . 1 1 34 HIS CD2 C -5.174 -3.829 -5.826 . . . 1.0 . . . . . . . . . . . . A . 34 HIS CD2 . . . . . . . . . rr_1i6f 1 . 1 . 479 . 1 1 34 HIS CE1 C -5.443 -1.810 -6.566 . . . 1.0 . . . . . . . . . . . . A . 34 HIS CE1 . . . . . . . . . rr_1i6f 1 . 1 . 480 . 1 1 34 HIS CG C -6.379 -3.384 -5.340 . . . 1.0 . . . . . . . . . . . . A . 34 HIS CG . . . . . . . . . rr_1i6f 1 . 1 . 481 . 1 1 34 HIS H H -6.030 -2.089 -2.715 . . . 1.0 . . . . . . . . . . . . A . 34 HIS H . . . . . . . . . rr_1i6f 1 . 1 . 482 . 1 1 34 HIS HA H -7.640 -4.546 -2.387 . . . 1.0 . . . . . . . . . . . . A . 34 HIS HA . . . . . . . . . rr_1i6f 1 . 1 . 483 . 1 1 34 HIS HB2 H -7.562 -5.059 -4.784 . . . 1.0 . . . . . . . . . . . . A . 34 HIS HB2 . . . . . . . . . rr_1i6f 1 . 1 . 484 . 1 1 34 HIS HB3 H -8.343 -3.496 -4.543 . . . 1.0 . . . . . . . . . . . . A . 34 HIS HB3 . . . . . . . . . rr_1i6f 1 . 1 . 485 . 1 1 34 HIS HD1 H -7.289 -1.498 -5.658 . . . 1.0 . . . . . . . . . . . . A . 34 HIS HD1 . . . . . . . . . rr_1i6f 1 . 1 . 486 . 1 1 34 HIS HD2 H -4.749 -4.803 -5.636 . . . 1.0 . . . . . . . . . . . . A . 34 HIS HD2 . . . . . . . . . rr_1i6f 1 . 1 . 487 . 1 1 34 HIS HE1 H -5.284 -0.870 -7.072 . . . 1.0 . . . . . . . . . . . . A . 34 HIS HE1 . . . . . . . . . rr_1i6f 1 . 1 . 488 . 1 1 34 HIS N N -6.875 -2.581 -2.640 . . . 1.0 . . . . . . . . . . . . A . 34 HIS N . . . . . . . . . rr_1i6f 1 . 1 . 489 . 1 1 34 HIS ND1 N -6.529 -2.094 -5.825 . . . 1.0 . . . . . . . . . . . . A . 34 HIS ND1 . . . . . . . . . rr_1i6f 1 . 1 . 490 . 1 1 34 HIS NE2 N -4.585 -2.834 -6.600 . . . 1.0 . . . . . . . . . . . . A . 34 HIS NE2 . . . . . . . . . rr_1i6f 1 . 1 . 491 . 1 1 34 HIS O O -4.557 -3.978 -2.698 . . . 1.0 . . . . . . . . . . . . A . 34 HIS O . . . . . . . . . rr_1i6f 1 . 1 . 492 . 1 1 35 CYS C C -3.557 -6.870 -4.319 . . . 1.0 . . . . . . . . . . . . A . 35 CYS C . . . . . . . . . rr_1i6f 1 . 1 . 493 . 1 1 35 CYS CA C -4.136 -6.628 -2.922 . . . 1.0 . . . . . . . . . . . . A . 35 CYS CA . . . . . . . . . rr_1i6f 1 . 1 . 494 . 1 1 35 CYS CB C -4.420 -7.957 -2.222 . . . 1.0 . . . . . . . . . . . . A . 35 CYS CB . . . . . . . . . rr_1i6f 1 . 1 . 495 . 1 1 35 CYS H H -6.270 -6.483 -3.185 . . . 1.0 . . . . . . . . . . . . A . 35 CYS H . . . . . . . . . rr_1i6f 1 . 1 . 496 . 1 1 35 CYS HA H -3.456 -6.037 -2.329 . . . 1.0 . . . . . . . . . . . . A . 35 CYS HA . . . . . . . . . rr_1i6f 1 . 1 . 497 . 1 1 35 CYS HB2 H -4.810 -7.766 -1.233 . . . 1.0 . . . . . . . . . . . . A . 35 CYS HB2 . . . . . . . . . rr_1i6f 1 . 1 . 498 . 1 1 35 CYS HB3 H -5.147 -8.516 -2.793 . . . 1.0 . . . . . . . . . . . . A . 35 CYS HB3 . . . . . . . . . rr_1i6f 1 . 1 . 499 . 1 1 35 CYS N N -5.461 -5.953 -3.024 . . . 1.0 . . . . . . . . . . . . A . 35 CYS N . . . . . . . . . rr_1i6f 1 . 1 . 500 . 1 1 35 CYS O O -4.205 -7.428 -5.182 . . . 1.0 . . . . . . . . . . . . A . 35 CYS O . . . . . . . . . rr_1i6f 1 . 1 . 501 . 1 1 35 CYS SG S -2.888 -8.912 -2.094 . . . 1.0 . . . . . . . . . . . . A . 35 CYS SG . . . . . . . . . rr_1i6f 1 . 1 . 502 . 1 1 36 TYR C C -0.217 -6.896 -5.747 . . . 1.0 . . . . . . . . . . . . A . 36 TYR C . . . . . . . . . rr_1i6f 1 . 1 . 503 . 1 1 36 TYR CA C -1.723 -6.660 -5.890 . . . 1.0 . . . . . . . . . . . . A . 36 TYR CA . . . . . . . . . rr_1i6f 1 . 1 . 504 . 1 1 36 TYR CB C -1.993 -5.364 -6.654 . . . 1.0 . . . . . . . . . . . . A . 36 TYR CB . . . . . . . . . rr_1i6f 1 . 1 . 505 . 1 1 36 TYR CD1 C -1.327 -6.100 -8.971 . . . 1.0 . . . . . . . . . . . . A . 36 TYR CD1 . . . . . . . . . rr_1i6f 1 . 1 . 506 . 1 1 36 TYR CD2 C -3.654 -5.574 -8.538 . . . 1.0 . . . . . . . . . . . . A . 36 TYR CD2 . . . . . . . . . rr_1i6f 1 . 1 . 507 . 1 1 36 TYR CE1 C -1.642 -6.399 -10.302 . . . 1.0 . . . . . . . . . . . . A . 36 TYR CE1 . . . . . . . . . rr_1i6f 1 . 1 . 508 . 1 1 36 TYR CE2 C -3.969 -5.874 -9.869 . . . 1.0 . . . . . . . . . . . . A . 36 TYR CE2 . . . . . . . . . rr_1i6f 1 . 1 . 509 . 1 1 36 TYR CG C -2.333 -5.687 -8.089 . . . 1.0 . . . . . . . . . . . . A . 36 TYR CG . . . . . . . . . rr_1i6f 1 . 1 . 510 . 1 1 36 TYR CZ C -2.963 -6.286 -10.751 . . . 1.0 . . . . . . . . . . . . A . 36 TYR CZ . . . . . . . . . rr_1i6f 1 . 1 . 511 . 1 1 36 TYR H H -1.835 -6.005 -3.839 . . . 1.0 . . . . . . . . . . . . A . 36 TYR H . . . . . . . . . rr_1i6f 1 . 1 . 512 . 1 1 36 TYR HA H -2.189 -7.490 -6.396 . . . 1.0 . . . . . . . . . . . . A . 36 TYR HA . . . . . . . . . rr_1i6f 1 . 1 . 513 . 1 1 36 TYR HB2 H -2.821 -4.842 -6.196 . . . 1.0 . . . . . . . . . . . . A . 36 TYR HB2 . . . . . . . . . rr_1i6f 1 . 1 . 514 . 1 1 36 TYR HB3 H -1.113 -4.739 -6.625 . . . 1.0 . . . . . . . . . . . . A . 36 TYR HB3 . . . . . . . . . rr_1i6f 1 . 1 . 515 . 1 1 36 TYR HD1 H -0.308 -6.187 -8.624 . . . 1.0 . . . . . . . . . . . . A . 36 TYR HD1 . . . . . . . . . rr_1i6f 1 . 1 . 516 . 1 1 36 TYR HD2 H -4.430 -5.256 -7.858 . . . 1.0 . . . . . . . . . . . . A . 36 TYR HD2 . . . . . . . . . rr_1i6f 1 . 1 . 517 . 1 1 36 TYR HE1 H -0.865 -6.718 -10.982 . . . 1.0 . . . . . . . . . . . . A . 36 TYR HE1 . . . . . . . . . rr_1i6f 1 . 1 . 518 . 1 1 36 TYR HE2 H -4.988 -5.787 -10.216 . . . 1.0 . . . . . . . . . . . . A . 36 TYR HE2 . . . . . . . . . rr_1i6f 1 . 1 . 519 . 1 1 36 TYR HH H -3.345 -5.754 -12.544 . . . 1.0 . . . . . . . . . . . . A . 36 TYR HH . . . . . . . . . rr_1i6f 1 . 1 . 520 . 1 1 36 TYR N N -2.342 -6.453 -4.548 . . . 1.0 . . . . . . . . . . . . A . 36 TYR N . . . . . . . . . rr_1i6f 1 . 1 . 521 . 1 1 36 TYR O O 0.443 -6.280 -4.933 . . . 1.0 . . . . . . . . . . . . A . 36 TYR O . . . . . . . . . rr_1i6f 1 . 1 . 522 . 1 1 36 TYR OH O -3.273 -6.582 -12.063 . . . 1.0 . . . . . . . . . . . . A . 36 TYR OH . . . . . . . . . rr_1i6f 1 . 1 . 523 . 1 1 37 ALA C C 2.177 -8.407 -5.000 . . . 1.0 . . . . . . . . . . . . A . 37 ALA C . . . . . . . . . rr_1i6f 1 . 1 . 524 . 1 1 37 ALA CA C 1.794 -8.056 -6.440 . . . 1.0 . . . . . . . . . . . . A . 37 ALA CA . . . . . . . . . rr_1i6f 1 . 1 . 525 . 1 1 37 ALA CB C 2.468 -6.754 -6.874 . . . 1.0 . . . . . . . . . . . . A . 37 ALA CB . . . . . . . . . rr_1i6f 1 . 1 . 526 . 1 1 37 ALA H H -0.219 -8.268 -7.182 . . . 1.0 . . . . . . . . . . . . A . 37 ALA H . . . . . . . . . rr_1i6f 1 . 1 . 527 . 1 1 37 ALA HA H 2.071 -8.855 -7.110 . . . 1.0 . . . . . . . . . . . . A . 37 ALA HA . . . . . . . . . rr_1i6f 1 . 1 . 528 . 1 1 37 ALA HB1 H 3.389 -6.626 -6.324 . . . 1.0 . . . . . . . . . . . . A . 37 ALA HB1 . . . . . . . . . rr_1i6f 1 . 1 . 529 . 1 1 37 ALA HB2 H 1.809 -5.923 -6.672 . . . 1.0 . . . . . . . . . . . . A . 37 ALA HB2 . . . . . . . . . rr_1i6f 1 . 1 . 530 . 1 1 37 ALA HB3 H 2.683 -6.795 -7.931 . . . 1.0 . . . . . . . . . . . . A . 37 ALA HB3 . . . . . . . . . rr_1i6f 1 . 1 . 531 . 1 1 37 ALA N N 0.331 -7.782 -6.532 . . . 1.0 . . . . . . . . . . . . A . 37 ALA N . . . . . . . . . rr_1i6f 1 . 1 . 532 . 1 1 37 ALA O O 3.220 -8.016 -4.513 . . . 1.0 . . . . . . . . . . . . A . 37 ALA O . . . . . . . . . rr_1i6f 1 . 1 . 533 . 1 1 38 MET C C 1.837 -8.256 -2.053 . . . 1.0 . . . . . . . . . . . . A . 38 MET C . . . . . . . . . rr_1i6f 1 . 1 . 534 . 1 1 38 MET CA C 1.661 -9.515 -2.908 . . . 1.0 . . . . . . . . . . . . A . 38 MET CA . . . . . . . . . rr_1i6f 1 . 1 . 535 . 1 1 38 MET CB C 2.973 -10.294 -2.992 . . . 1.0 . . . . . . . . . . . . A . 38 MET CB . . . . . . . . . rr_1i6f 1 . 1 . 536 . 1 1 38 MET CE C 3.384 -14.350 -2.437 . . . 1.0 . . . . . . . . . . . . A . 38 MET CE . . . . . . . . . rr_1i6f 1 . 1 . 537 . 1 1 38 MET CG C 2.676 -11.794 -3.021 . . . 1.0 . . . . . . . . . . . . A . 38 MET CG . . . . . . . . . rr_1i6f 1 . 1 . 538 . 1 1 38 MET H H 0.507 -9.445 -4.727 . . . 1.0 . . . . . . . . . . . . A . 38 MET H . . . . . . . . . rr_1i6f 1 . 1 . 539 . 1 1 38 MET HA H 0.885 -10.143 -2.500 . . . 1.0 . . . . . . . . . . . . A . 38 MET HA . . . . . . . . . rr_1i6f 1 . 1 . 540 . 1 1 38 MET HB2 H 3.502 -10.013 -3.892 . . . 1.0 . . . . . . . . . . . . A . 38 MET HB2 . . . . . . . . . rr_1i6f 1 . 1 . 541 . 1 1 38 MET HB3 H 3.583 -10.067 -2.130 . . . 1.0 . . . . . . . . . . . . A . 38 MET HB3 . . . . . . . . . rr_1i6f 1 . 1 . 542 . 1 1 38 MET HE1 H 2.916 -14.337 -3.412 . . . 1.0 . . . . . . . . . . . . A . 38 MET HE1 . . . . . . . . . rr_1i6f 1 . 1 . 543 . 1 1 38 MET HE2 H 2.685 -14.729 -1.709 . . . 1.0 . . . . . . . . . . . . A . 38 MET HE2 . . . . . . . . . rr_1i6f 1 . 1 . 544 . 1 1 38 MET HE3 H 4.258 -14.986 -2.460 . . . 1.0 . . . . . . . . . . . . A . 38 MET HE3 . . . . . . . . . rr_1i6f 1 . 1 . 545 . 1 1 38 MET HG2 H 1.679 -11.971 -2.645 . . . 1.0 . . . . . . . . . . . . A . 38 MET HG2 . . . . . . . . . rr_1i6f 1 . 1 . 546 . 1 1 38 MET HG3 H 2.747 -12.155 -4.037 . . . 1.0 . . . . . . . . . . . . A . 38 MET HG3 . . . . . . . . . rr_1i6f 1 . 1 . 547 . 1 1 38 MET N N 1.343 -9.140 -4.316 . . . 1.0 . . . . . . . . . . . . A . 38 MET N . . . . . . . . . rr_1i6f 1 . 1 . 548 . 1 1 38 MET O O 2.349 -8.309 -0.953 . . . 1.0 . . . . . . . . . . . . A . 38 MET O . . . . . . . . . rr_1i6f 1 . 1 . 549 . 1 1 38 MET SD S 3.876 -12.668 -1.986 . . . 1.0 . . . . . . . . . . . . A . 38 MET SD . . . . . . . . . rr_1i6f 1 . 1 . 550 . 1 1 39 SER C C 0.237 -5.095 -1.759 . . . 1.0 . . . . . . . . . . . . A . 39 SER C . . . . . . . . . rr_1i6f 1 . 1 . 551 . 1 1 39 SER CA C 1.560 -5.866 -1.767 . . . 1.0 . . . . . . . . . . . . A . 39 SER CA . . . . . . . . . rr_1i6f 1 . 1 . 552 . 1 1 39 SER CB C 2.641 -5.068 -2.495 . . . 1.0 . . . . . . . . . . . . A . 39 SER CB . . . . . . . . . rr_1i6f 1 . 1 . 553 . 1 1 39 SER H H 1.006 -7.105 -3.441 . . . 1.0 . . . . . . . . . . . . A . 39 SER H . . . . . . . . . rr_1i6f 1 . 1 . 554 . 1 1 39 SER HA H 1.877 -6.083 -0.760 . . . 1.0 . . . . . . . . . . . . A . 39 SER HA . . . . . . . . . rr_1i6f 1 . 1 . 555 . 1 1 39 SER HB2 H 2.264 -4.732 -3.446 . . . 1.0 . . . . . . . . . . . . A . 39 SER HB2 . . . . . . . . . rr_1i6f 1 . 1 . 556 . 1 1 39 SER HB3 H 2.918 -4.210 -1.896 . . . 1.0 . . . . . . . . . . . . A . 39 SER HB3 . . . . . . . . . rr_1i6f 1 . 1 . 557 . 1 1 39 SER HG H 4.112 -6.167 -1.850 . . . 1.0 . . . . . . . . . . . . A . 39 SER HG . . . . . . . . . rr_1i6f 1 . 1 . 558 . 1 1 39 SER N N 1.416 -7.126 -2.552 . . . 1.0 . . . . . . . . . . . . A . 39 SER N . . . . . . . . . rr_1i6f 1 . 1 . 559 . 1 1 39 SER O O -0.470 -5.045 -2.745 . . . 1.0 . . . . . . . . . . . . A . 39 SER O . . . . . . . . . rr_1i6f 1 . 1 . 560 . 1 1 39 SER OG O 3.774 -5.899 -2.708 . . . 1.0 . . . . . . . . . . . . A . 39 SER OG . . . . . . . . . rr_1i6f 1 . 1 . 561 . 1 1 40 CYS C C -1.262 -2.429 -1.389 . . . 1.0 . . . . . . . . . . . . A . 40 CYS C . . . . . . . . . rr_1i6f 1 . 1 . 562 . 1 1 40 CYS CA C -1.379 -3.725 -0.582 . . . 1.0 . . . . . . . . . . . . A . 40 CYS CA . . . . . . . . . rr_1i6f 1 . 1 . 563 . 1 1 40 CYS CB C -1.574 -3.416 0.903 . . . 1.0 . . . . . . . . . . . . A . 40 CYS CB . . . . . . . . . rr_1i6f 1 . 1 . 564 . 1 1 40 CYS H H 0.483 -4.544 0.133 . . . 1.0 . . . . . . . . . . . . A . 40 CYS H . . . . . . . . . rr_1i6f 1 . 1 . 565 . 1 1 40 CYS HA H -2.199 -4.324 -0.945 . . . 1.0 . . . . . . . . . . . . A . 40 CYS HA . . . . . . . . . rr_1i6f 1 . 1 . 566 . 1 1 40 CYS HB2 H -1.253 -4.263 1.492 . . . 1.0 . . . . . . . . . . . . A . 40 CYS HB2 . . . . . . . . . rr_1i6f 1 . 1 . 567 . 1 1 40 CYS HB3 H -0.989 -2.549 1.170 . . . 1.0 . . . . . . . . . . . . A . 40 CYS HB3 . . . . . . . . . rr_1i6f 1 . 1 . 568 . 1 1 40 CYS N N -0.102 -4.492 -0.652 . . . 1.0 . . . . . . . . . . . . A . 40 CYS N . . . . . . . . . rr_1i6f 1 . 1 . 569 . 1 1 40 CYS O O -0.226 -1.795 -1.417 . . . 1.0 . . . . . . . . . . . . A . 40 CYS O . . . . . . . . . rr_1i6f 1 . 1 . 570 . 1 1 40 CYS SG S -3.324 -3.086 1.226 . . . 1.0 . . . . . . . . . . . . A . 40 CYS SG . . . . . . . . . rr_1i6f 1 . 1 . 571 . 1 1 41 TYR C C -3.579 -0.003 -2.707 . . . 1.0 . . . . . . . . . . . . A . 41 TYR C . . . . . . . . . rr_1i6f 1 . 1 . 572 . 1 1 41 TYR CA C -2.266 -0.777 -2.851 . . . 1.0 . . . . . . . . . . . . A . 41 TYR CA . . . . . . . . . rr_1i6f 1 . 1 . 573 . 1 1 41 TYR CB C -2.071 -1.241 -4.295 . . . 1.0 . . . . . . . . . . . . A . 41 TYR CB . . . . . . . . . rr_1i6f 1 . 1 . 574 . 1 1 41 TYR CD1 C -0.689 0.614 -5.298 . . . 1.0 . . . . . . . . . . . . A . 41 TYR CD1 . . . . . . . . . rr_1i6f 1 . 1 . 575 . 1 1 41 TYR CD2 C -3.024 0.429 -5.926 . . . 1.0 . . . . . . . . . . . . A . 41 TYR CD2 . . . . . . . . . rr_1i6f 1 . 1 . 576 . 1 1 41 TYR CE1 C -0.553 1.729 -6.132 . . . 1.0 . . . . . . . . . . . . A . 41 TYR CE1 . . . . . . . . . rr_1i6f 1 . 1 . 577 . 1 1 41 TYR CE2 C -2.887 1.545 -6.760 . . . 1.0 . . . . . . . . . . . . A . 41 TYR CE2 . . . . . . . . . rr_1i6f 1 . 1 . 578 . 1 1 41 TYR CG C -1.925 -0.037 -5.195 . . . 1.0 . . . . . . . . . . . . A . 41 TYR CG . . . . . . . . . rr_1i6f 1 . 1 . 579 . 1 1 41 TYR CZ C -1.652 2.195 -6.863 . . . 1.0 . . . . . . . . . . . . A . 41 TYR CZ . . . . . . . . . rr_1i6f 1 . 1 . 580 . 1 1 41 TYR H H -3.143 -2.558 -2.011 . . . 1.0 . . . . . . . . . . . . A . 41 TYR H . . . . . . . . . rr_1i6f 1 . 1 . 581 . 1 1 41 TYR HA H -1.431 -0.167 -2.544 . . . 1.0 . . . . . . . . . . . . A . 41 TYR HA . . . . . . . . . rr_1i6f 1 . 1 . 582 . 1 1 41 TYR HB2 H -1.182 -1.850 -4.361 . . . 1.0 . . . . . . . . . . . . A . 41 TYR HB2 . . . . . . . . . rr_1i6f 1 . 1 . 583 . 1 1 41 TYR HB3 H -2.929 -1.819 -4.606 . . . 1.0 . . . . . . . . . . . . A . 41 TYR HB3 . . . . . . . . . rr_1i6f 1 . 1 . 584 . 1 1 41 TYR HD1 H 0.159 0.254 -4.733 . . . 1.0 . . . . . . . . . . . . A . 41 TYR HD1 . . . . . . . . . rr_1i6f 1 . 1 . 585 . 1 1 41 TYR HD2 H -3.977 -0.073 -5.847 . . . 1.0 . . . . . . . . . . . . A . 41 TYR HD2 . . . . . . . . . rr_1i6f 1 . 1 . 586 . 1 1 41 TYR HE1 H 0.400 2.231 -6.211 . . . 1.0 . . . . . . . . . . . . A . 41 TYR HE1 . . . . . . . . . rr_1i6f 1 . 1 . 587 . 1 1 41 TYR HE2 H -3.735 1.904 -7.325 . . . 1.0 . . . . . . . . . . . . A . 41 TYR HE2 . . . . . . . . . rr_1i6f 1 . 1 . 588 . 1 1 41 TYR HH H -0.682 3.216 -8.152 . . . 1.0 . . . . . . . . . . . . A . 41 TYR HH . . . . . . . . . rr_1i6f 1 . 1 . 589 . 1 1 41 TYR N N -2.317 -2.032 -2.046 . . . 1.0 . . . . . . . . . . . . A . 41 TYR N . . . . . . . . . rr_1i6f 1 . 1 . 590 . 1 1 41 TYR O O -4.649 -0.528 -2.940 . . . 1.0 . . . . . . . . . . . . A . 41 TYR O . . . . . . . . . rr_1i6f 1 . 1 . 591 . 1 1 41 TYR OH O -1.518 3.295 -7.686 . . . 1.0 . . . . . . . . . . . . A . 41 TYR OH . . . . . . . . . rr_1i6f 1 . 1 . 592 . 1 1 42 CYS C C -4.818 3.133 -3.245 . . . 1.0 . . . . . . . . . . . . A . 42 CYS C . . . . . . . . . rr_1i6f 1 . 1 . 593 . 1 1 42 CYS CA C -4.749 2.049 -2.166 . . . 1.0 . . . . . . . . . . . . A . 42 CYS CA . . . . . . . . . rr_1i6f 1 . 1 . 594 . 1 1 42 CYS CB C -4.639 2.679 -0.778 . . . 1.0 . . . . . . . . . . . . A . 42 CYS CB . . . . . . . . . rr_1i6f 1 . 1 . 595 . 1 1 42 CYS H H -2.632 1.648 -2.141 . . . 1.0 . . . . . . . . . . . . A . 42 CYS H . . . . . . . . . rr_1i6f 1 . 1 . 596 . 1 1 42 CYS HA H -5.619 1.413 -2.214 . . . 1.0 . . . . . . . . . . . . A . 42 CYS HA . . . . . . . . . rr_1i6f 1 . 1 . 597 . 1 1 42 CYS HB2 H -3.873 3.441 -0.788 . . . 1.0 . . . . . . . . . . . . A . 42 CYS HB2 . . . . . . . . . rr_1i6f 1 . 1 . 598 . 1 1 42 CYS HB3 H -5.585 3.124 -0.508 . . . 1.0 . . . . . . . . . . . . A . 42 CYS HB3 . . . . . . . . . rr_1i6f 1 . 1 . 599 . 1 1 42 CYS N N -3.505 1.243 -2.324 . . . 1.0 . . . . . . . . . . . . A . 42 CYS N . . . . . . . . . rr_1i6f 1 . 1 . 600 . 1 1 42 CYS O O -3.816 3.697 -3.636 . . . 1.0 . . . . . . . . . . . . A . 42 CYS O . . . . . . . . . rr_1i6f 1 . 1 . 601 . 1 1 42 CYS SG S -4.205 1.404 0.432 . . . 1.0 . . . . . . . . . . . . A . 42 CYS SG . . . . . . . . . rr_1i6f 1 . 1 . 602 . 1 1 43 GLU C C -6.877 5.691 -4.227 . . . 1.0 . . . . . . . . . . . . A . 43 GLU C . . . . . . . . . rr_1i6f 1 . 1 . 603 . 1 1 43 GLU CA C -6.125 4.477 -4.780 . . . 1.0 . . . . . . . . . . . . A . 43 GLU CA . . . . . . . . . rr_1i6f 1 . 1 . 604 . 1 1 43 GLU CB C -6.927 3.814 -5.901 . . . 1.0 . . . . . . . . . . . . A . 43 GLU CB . . . . . . . . . rr_1i6f 1 . 1 . 605 . 1 1 43 GLU CD C -7.611 3.991 -8.297 . . . 1.0 . . . . . . . . . . . . A . 43 GLU CD . . . . . . . . . rr_1i6f 1 . 1 . 606 . 1 1 43 GLU CG C -6.870 4.688 -7.155 . . . 1.0 . . . . . . . . . . . . A . 43 GLU CG . . . . . . . . . rr_1i6f 1 . 1 . 607 . 1 1 43 GLU H H -6.790 2.963 -3.398 . . . 1.0 . . . . . . . . . . . . A . 43 GLU H . . . . . . . . . rr_1i6f 1 . 1 . 608 . 1 1 43 GLU HA H -5.153 4.769 -5.145 . . . 1.0 . . . . . . . . . . . . A . 43 GLU HA . . . . . . . . . rr_1i6f 1 . 1 . 609 . 1 1 43 GLU HB2 H -6.506 2.843 -6.117 . . . 1.0 . . . . . . . . . . . . A . 43 GLU HB2 . . . . . . . . . rr_1i6f 1 . 1 . 610 . 1 1 43 GLU HB3 H -7.954 3.701 -5.590 . . . 1.0 . . . . . . . . . . . . A . 43 GLU HB3 . . . . . . . . . rr_1i6f 1 . 1 . 611 . 1 1 43 GLU HG2 H -7.335 5.641 -6.951 . . . 1.0 . . . . . . . . . . . . A . 43 GLU HG2 . . . . . . . . . rr_1i6f 1 . 1 . 612 . 1 1 43 GLU HG3 H -5.840 4.843 -7.440 . . . 1.0 . . . . . . . . . . . . A . 43 GLU HG3 . . . . . . . . . rr_1i6f 1 . 1 . 613 . 1 1 43 GLU N N -5.994 3.429 -3.727 . . . 1.0 . . . . . . . . . . . . A . 43 GLU N . . . . . . . . . rr_1i6f 1 . 1 . 614 . 1 1 43 GLU O O -8.068 5.639 -3.988 . . . 1.0 . . . . . . . . . . . . A . 43 GLU O . . . . . . . . . rr_1i6f 1 . 1 . 615 . 1 1 43 GLU OE1 O -8.812 3.813 -8.176 . . . 1.0 . . . . . . . . . . . . A . 43 GLU OE1 . . . . . . . . . rr_1i6f 1 . 1 . 616 . 1 1 43 GLU OE2 O -6.966 3.646 -9.274 . . . 1.0 . . . . . . . . . . . . A . 43 GLU OE2 . . . . . . . . . rr_1i6f 1 . 1 . 617 . 1 1 44 GLY C C -6.202 8.413 -2.170 . . . 1.0 . . . . . . . . . . . . A . 44 GLY C . . . . . . . . . rr_1i6f 1 . 1 . 618 . 1 1 44 GLY CA C -6.868 7.996 -3.483 . . . 1.0 . . . . . . . . . . . . A . 44 GLY CA . . . . . . . . . rr_1i6f 1 . 1 . 619 . 1 1 44 GLY H H -5.232 6.802 -4.219 . . . 1.0 . . . . . . . . . . . . A . 44 GLY H . . . . . . . . . rr_1i6f 1 . 1 . 620 . 1 1 44 GLY HA2 H -6.787 8.800 -4.201 . . . 1.0 . . . . . . . . . . . . A . 44 GLY HA2 . . . . . . . . . rr_1i6f 1 . 1 . 621 . 1 1 44 GLY HA3 H -7.909 7.778 -3.300 . . . 1.0 . . . . . . . . . . . . A . 44 GLY HA3 . . . . . . . . . rr_1i6f 1 . 1 . 622 . 1 1 44 GLY N N -6.192 6.782 -4.020 . . . 1.0 . . . . . . . . . . . . A . 44 GLY N . . . . . . . . . rr_1i6f 1 . 1 . 623 . 1 1 44 GLY O O -6.706 9.246 -1.444 . . . 1.0 . . . . . . . . . . . . A . 44 GLY O . . . . . . . . . rr_1i6f 1 . 1 . 624 . 1 1 45 LEU C C -4.076 9.705 -0.566 . . . 1.0 . . . . . . . . . . . . A . 45 LEU C . . . . . . . . . rr_1i6f 1 . 1 . 625 . 1 1 45 LEU CA C -4.373 8.203 -0.594 . . . 1.0 . . . . . . . . . . . . A . 45 LEU CA . . . . . . . . . rr_1i6f 1 . 1 . 626 . 1 1 45 LEU CB C -3.073 7.399 -0.613 . . . 1.0 . . . . . . . . . . . . A . 45 LEU CB . . . . . . . . . rr_1i6f 1 . 1 . 627 . 1 1 45 LEU CD1 C -2.155 5.075 -0.638 . . . 1.0 . . . . . . . . . . . . A . 45 LEU CD1 . . . . . . . . . rr_1i6f 1 . 1 . 628 . 1 1 45 LEU CD2 C -3.694 5.792 1.194 . . . 1.0 . . . . . . . . . . . . A . 45 LEU CD2 . . . . . . . . . rr_1i6f 1 . 1 . 629 . 1 1 45 LEU CG C -3.374 5.934 -0.295 . . . 1.0 . . . . . . . . . . . . A . 45 LEU CG . . . . . . . . . rr_1i6f 1 . 1 . 630 . 1 1 45 LEU H H -4.681 7.170 -2.460 . . . 1.0 . . . . . . . . . . . . A . 45 LEU H . . . . . . . . . rr_1i6f 1 . 1 . 631 . 1 1 45 LEU HA H -4.969 7.921 0.260 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HA . . . . . . . . . rr_1i6f 1 . 1 . 632 . 1 1 45 LEU HB2 H -2.621 7.471 -1.592 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HB2 . . . . . . . . . rr_1i6f 1 . 1 . 633 . 1 1 45 LEU HB3 H -2.394 7.794 0.128 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HB3 . . . . . . . . . rr_1i6f 1 . 1 . 634 . 1 1 45 LEU HD11 H -2.380 4.456 -1.494 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD11 . . . . . . . . . rr_1i6f 1 . 1 . 635 . 1 1 45 LEU HD12 H -1.909 4.448 0.206 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD12 . . . . . . . . . rr_1i6f 1 . 1 . 636 . 1 1 45 LEU HD13 H -1.317 5.716 -0.867 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD13 . . . . . . . . . rr_1i6f 1 . 1 . 637 . 1 1 45 LEU HD21 H -4.736 5.534 1.316 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD21 . . . . . . . . . rr_1i6f 1 . 1 . 638 . 1 1 45 LEU HD22 H -3.494 6.727 1.696 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD22 . . . . . . . . . rr_1i6f 1 . 1 . 639 . 1 1 45 LEU HD23 H -3.079 5.014 1.622 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD23 . . . . . . . . . rr_1i6f 1 . 1 . 640 . 1 1 45 LEU HG H -4.221 5.605 -0.881 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HG . . . . . . . . . rr_1i6f 1 . 1 . 641 . 1 1 45 LEU N N -5.071 7.839 -1.860 . . . 1.0 . . . . . . . . . . . . A . 45 LEU N . . . . . . . . . rr_1i6f 1 . 1 . 642 . 1 1 45 LEU O O -4.157 10.373 -1.578 . . . 1.0 . . . . . . . . . . . . A . 45 LEU O . . . . . . . . . rr_1i6f 1 . 1 . 643 . 1 1 46 PRO C C -2.061 11.949 0.151 . . . 1.0 . . . . . . . . . . . . A . 46 PRO C . . . . . . . . . rr_1i6f 1 . 1 . 644 . 1 1 46 PRO CA C -3.423 11.623 0.772 . . . 1.0 . . . . . . . . . . . . A . 46 PRO CA . . . . . . . . . rr_1i6f 1 . 1 . 645 . 1 1 46 PRO CB C -3.388 11.803 2.287 . . . 1.0 . . . . . . . . . . . . A . 46 PRO CB . . . . . . . . . rr_1i6f 1 . 1 . 646 . 1 1 46 PRO CD C -3.622 9.437 1.857 . . . 1.0 . . . . . . . . . . . . A . 46 PRO CD . . . . . . . . . rr_1i6f 1 . 1 . 647 . 1 1 46 PRO CG C -3.070 10.446 2.831 . . . 1.0 . . . . . . . . . . . . A . 46 PRO CG . . . . . . . . . rr_1i6f 1 . 1 . 648 . 1 1 46 PRO HA H -4.197 12.238 0.343 . . . 1.0 . . . . . . . . . . . . A . 46 PRO HA . . . . . . . . . rr_1i6f 1 . 1 . 649 . 1 1 46 PRO HB2 H -2.618 12.511 2.562 . . . 1.0 . . . . . . . . . . . . A . 46 PRO HB2 . . . . . . . . . rr_1i6f 1 . 1 . 650 . 1 1 46 PRO HB3 H -4.350 12.130 2.649 . . . 1.0 . . . . . . . . . . . . A . 46 PRO HB3 . . . . . . . . . rr_1i6f 1 . 1 . 651 . 1 1 46 PRO HD2 H -2.938 8.606 1.746 . . . 1.0 . . . . . . . . . . . . A . 46 PRO HD2 . . . . . . . . . rr_1i6f 1 . 1 . 652 . 1 1 46 PRO HD3 H -4.593 9.092 2.176 . . . 1.0 . . . . . . . . . . . . A . 46 PRO HD3 . . . . . . . . . rr_1i6f 1 . 1 . 653 . 1 1 46 PRO HG2 H -1.999 10.328 2.922 . . . 1.0 . . . . . . . . . . . . A . 46 PRO HG2 . . . . . . . . . rr_1i6f 1 . 1 . 654 . 1 1 46 PRO HG3 H -3.540 10.315 3.794 . . . 1.0 . . . . . . . . . . . . A . 46 PRO HG3 . . . . . . . . . rr_1i6f 1 . 1 . 655 . 1 1 46 PRO N N -3.739 10.184 0.600 . . . 1.0 . . . . . . . . . . . . A . 46 PRO N . . . . . . . . . rr_1i6f 1 . 1 . 656 . 1 1 46 PRO O O -1.172 11.122 0.112 . . . 1.0 . . . . . . . . . . . . A . 46 PRO O . . . . . . . . . rr_1i6f 1 . 1 . 657 . 1 1 47 GLU C C 0.542 13.390 0.074 . . . 1.0 . . . . . . . . . . . . A . 47 GLU C . . . . . . . . . rr_1i6f 1 . 1 . 658 . 1 1 47 GLU CA C -0.588 13.526 -0.951 . . . 1.0 . . . . . . . . . . . . A . 47 GLU CA . . . . . . . . . rr_1i6f 1 . 1 . 659 . 1 1 47 GLU CB C -0.757 14.986 -1.372 . . . 1.0 . . . . . . . . . . . . A . 47 GLU CB . . . . . . . . . rr_1i6f 1 . 1 . 660 . 1 1 47 GLU CD C 0.506 16.993 -2.161 . . . 1.0 . . . . . . . . . . . . A . 47 GLU CD . . . . . . . . . rr_1i6f 1 . 1 . 661 . 1 1 47 GLU CG C 0.512 15.465 -2.078 . . . 1.0 . . . . . . . . . . . . A . 47 GLU CG . . . . . . . . . rr_1i6f 1 . 1 . 662 . 1 1 47 GLU H H -2.622 13.801 -0.292 . . . 1.0 . . . . . . . . . . . . A . 47 GLU H . . . . . . . . . rr_1i6f 1 . 1 . 663 . 1 1 47 GLU HA H -0.389 12.914 -1.816 . . . 1.0 . . . . . . . . . . . . A . 47 GLU HA . . . . . . . . . rr_1i6f 1 . 1 . 664 . 1 1 47 GLU HB2 H -1.599 15.071 -2.045 . . . 1.0 . . . . . . . . . . . . A . 47 GLU HB2 . . . . . . . . . rr_1i6f 1 . 1 . 665 . 1 1 47 GLU HB3 H -0.932 15.596 -0.498 . . . 1.0 . . . . . . . . . . . . A . 47 GLU HB3 . . . . . . . . . rr_1i6f 1 . 1 . 666 . 1 1 47 GLU HG2 H 1.379 15.137 -1.522 . . . 1.0 . . . . . . . . . . . . A . 47 GLU HG2 . . . . . . . . . rr_1i6f 1 . 1 . 667 . 1 1 47 GLU HG3 H 0.547 15.053 -3.075 . . . 1.0 . . . . . . . . . . . . A . 47 GLU HG3 . . . . . . . . . rr_1i6f 1 . 1 . 668 . 1 1 47 GLU N N -1.892 13.149 -0.333 . . . 1.0 . . . . . . . . . . . . A . 47 GLU N . . . . . . . . . rr_1i6f 1 . 1 . 669 . 1 1 47 GLU O O 1.707 13.392 -0.269 . . . 1.0 . . . . . . . . . . . . A . 47 GLU O . . . . . . . . . rr_1i6f 1 . 1 . 670 . 1 1 47 GLU OE1 O -0.558 17.550 -2.373 . . . 1.0 . . . . . . . . . . . . A . 47 GLU OE1 . . . . . . . . . rr_1i6f 1 . 1 . 671 . 1 1 47 GLU OE2 O 1.565 17.579 -2.012 . . . 1.0 . . . . . . . . . . . . A . 47 GLU OE2 . . . . . . . . . rr_1i6f 1 . 1 . 672 . 1 1 48 ASN C C 1.218 11.737 2.992 . . . 1.0 . . . . . . . . . . . . A . 48 ASN C . . . . . . . . . rr_1i6f 1 . 1 . 673 . 1 1 48 ASN CA C 1.262 13.137 2.374 . . . 1.0 . . . . . . . . . . . . A . 48 ASN CA . . . . . . . . . rr_1i6f 1 . 1 . 674 . 1 1 48 ASN CB C 0.921 14.197 3.422 . . . 1.0 . . . . . . . . . . . . A . 48 ASN CB . . . . . . . . . rr_1i6f 1 . 1 . 675 . 1 1 48 ASN CG C -0.398 13.835 4.106 . . . 1.0 . . . . . . . . . . . . A . 48 ASN CG . . . . . . . . . rr_1i6f 1 . 1 . 676 . 1 1 48 ASN H H -0.740 13.274 1.586 . . . 1.0 . . . . . . . . . . . . A . 48 ASN H . . . . . . . . . rr_1i6f 1 . 1 . 677 . 1 1 48 ASN HA H 2.235 13.334 1.954 . . . 1.0 . . . . . . . . . . . . A . 48 ASN HA . . . . . . . . . rr_1i6f 1 . 1 . 678 . 1 1 48 ASN HB2 H 1.710 14.241 4.159 . . . 1.0 . . . . . . . . . . . . A . 48 ASN HB2 . . . . . . . . . rr_1i6f 1 . 1 . 679 . 1 1 48 ASN HB3 H 0.823 15.159 2.942 . . . 1.0 . . . . . . . . . . . . A . 48 ASN HB3 . . . . . . . . . rr_1i6f 1 . 1 . 680 . 1 1 48 ASN HD21 H -0.449 15.491 5.200 . . . 1.0 . . . . . . . . . . . . A . 48 ASN HD21 . . . . . . . . . rr_1i6f 1 . 1 . 681 . 1 1 48 ASN HD22 H -1.755 14.430 5.428 . . . 1.0 . . . . . . . . . . . . A . 48 ASN HD22 . . . . . . . . . rr_1i6f 1 . 1 . 682 . 1 1 48 ASN N N 0.206 13.273 1.329 . . . 1.0 . . . . . . . . . . . . A . 48 ASN N . . . . . . . . . rr_1i6f 1 . 1 . 683 . 1 1 48 ASN ND2 N -0.910 14.653 4.984 . . . 1.0 . . . . . . . . . . . . A . 48 ASN ND2 . . . . . . . . . rr_1i6f 1 . 1 . 684 . 1 1 48 ASN O O 1.671 11.522 4.098 . . . 1.0 . . . . . . . . . . . . A . 48 ASN O . . . . . . . . . rr_1i6f 1 . 1 . 685 . 1 1 48 ASN OD1 O -0.969 12.796 3.839 . . . 1.0 . . . . . . . . . . . . A . 48 ASN OD1 . . . . . . . . . rr_1i6f 1 . 1 . 686 . 1 1 49 ALA C C 1.988 8.746 2.805 . . . 1.0 . . . . . . . . . . . . A . 49 ALA C . . . . . . . . . rr_1i6f 1 . 1 . 687 . 1 1 49 ALA CA C 0.603 9.398 2.833 . . . 1.0 . . . . . . . . . . . . A . 49 ALA CA . . . . . . . . . rr_1i6f 1 . 1 . 688 . 1 1 49 ALA CB C -0.359 8.655 1.905 . . . 1.0 . . . . . . . . . . . . A . 49 ALA CB . . . . . . . . . rr_1i6f 1 . 1 . 689 . 1 1 49 ALA H H 0.315 10.977 1.394 . . . 1.0 . . . . . . . . . . . . A . 49 ALA H . . . . . . . . . rr_1i6f 1 . 1 . 690 . 1 1 49 ALA HA H 0.210 9.410 3.837 . . . 1.0 . . . . . . . . . . . . A . 49 ALA HA . . . . . . . . . rr_1i6f 1 . 1 . 691 . 1 1 49 ALA HB1 H 0.205 8.133 1.146 . . . 1.0 . . . . . . . . . . . . A . 49 ALA HB1 . . . . . . . . . rr_1i6f 1 . 1 . 692 . 1 1 49 ALA HB2 H -1.025 9.363 1.435 . . . 1.0 . . . . . . . . . . . . A . 49 ALA HB2 . . . . . . . . . rr_1i6f 1 . 1 . 693 . 1 1 49 ALA HB3 H -0.935 7.944 2.478 . . . 1.0 . . . . . . . . . . . . A . 49 ALA HB3 . . . . . . . . . rr_1i6f 1 . 1 . 694 . 1 1 49 ALA N N 0.675 10.783 2.285 . . . 1.0 . . . . . . . . . . . . A . 49 ALA N . . . . . . . . . rr_1i6f 1 . 1 . 695 . 1 1 49 ALA O O 2.860 9.150 2.063 . . . 1.0 . . . . . . . . . . . . A . 49 ALA O . . . . . . . . . rr_1i6f 1 . 1 . 696 . 1 1 50 LYS C C 3.495 5.815 2.740 . . . 1.0 . . . . . . . . . . . . A . 50 LYS C . . . . . . . . . rr_1i6f 1 . 1 . 697 . 1 1 50 LYS CA C 3.524 7.062 3.629 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CA . . . . . . . . . rr_1i6f 1 . 1 . 698 . 1 1 50 LYS CB C 3.750 6.674 5.090 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CB . . . . . . . . . rr_1i6f 1 . 1 . 699 . 1 1 50 LYS CD C 5.946 7.194 6.164 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CD . . . . . . . . . rr_1i6f 1 . 1 . 700 . 1 1 50 LYS CE C 7.260 6.566 6.633 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CE . . . . . . . . . rr_1i6f 1 . 1 . 701 . 1 1 50 LYS CG C 5.193 6.201 5.276 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CG . . . . . . . . . rr_1i6f 1 . 1 . 702 . 1 1 50 LYS H H 1.478 7.428 4.200 . . . 1.0 . . . . . . . . . . . . A . 50 LYS H . . . . . . . . . rr_1i6f 1 . 1 . 703 . 1 1 50 LYS HA H 4.297 7.740 3.303 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HA . . . . . . . . . rr_1i6f 1 . 1 . 704 . 1 1 50 LYS HB2 H 3.566 7.532 5.722 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HB2 . . . . . . . . . rr_1i6f 1 . 1 . 705 . 1 1 50 LYS HB3 H 3.074 5.877 5.360 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HB3 . . . . . . . . . rr_1i6f 1 . 1 . 706 . 1 1 50 LYS HD2 H 6.156 8.092 5.600 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HD2 . . . . . . . . . rr_1i6f 1 . 1 . 707 . 1 1 50 LYS HD3 H 5.340 7.441 7.022 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HD3 . . . . . . . . . rr_1i6f 1 . 1 . 708 . 1 1 50 LYS HE2 H 7.159 5.491 6.697 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HE2 . . . . . . . . . rr_1i6f 1 . 1 . 709 . 1 1 50 LYS HE3 H 8.064 6.831 5.965 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HE3 . . . . . . . . . rr_1i6f 1 . 1 . 710 . 1 1 50 LYS HG2 H 5.194 5.227 5.743 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HG2 . . . . . . . . . rr_1i6f 1 . 1 . 711 . 1 1 50 LYS HG3 H 5.679 6.141 4.314 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HG3 . . . . . . . . . rr_1i6f 1 . 1 . 712 . 1 1 50 LYS HZ1 H 8.074 6.489 8.547 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HZ1 . . . . . . . . . rr_1i6f 1 . 1 . 713 . 1 1 50 LYS HZ2 H 6.592 7.315 8.457 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HZ2 . . . . . . . . . rr_1i6f 1 . 1 . 714 . 1 1 50 LYS HZ3 H 8.014 8.049 7.884 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HZ3 . . . . . . . . . rr_1i6f 1 . 1 . 715 . 1 1 50 LYS N N 2.195 7.739 3.609 . . . 1.0 . . . . . . . . . . . . A . 50 LYS N . . . . . . . . . rr_1i6f 1 . 1 . 716 . 1 1 50 LYS NZ N 7.503 7.149 7.982 . . . 1.0 . . . . . . . . . . . . A . 50 LYS NZ . . . . . . . . . rr_1i6f 1 . 1 . 717 . 1 1 50 LYS O O 3.106 4.746 3.167 . . . 1.0 . . . . . . . . . . . . A . 50 LYS O . . . . . . . . . rr_1i6f 1 . 1 . 718 . 1 1 51 VAL C C 5.196 4.722 -0.220 . . . 1.0 . . . . . . . . . . . . A . 51 VAL C . . . . . . . . . rr_1i6f 1 . 1 . 719 . 1 1 51 VAL CA C 3.900 4.765 0.594 . . . 1.0 . . . . . . . . . . . . A . 51 VAL CA . . . . . . . . . rr_1i6f 1 . 1 . 720 . 1 1 51 VAL CB C 2.697 4.981 -0.324 . . . 1.0 . . . . . . . . . . . . A . 51 VAL CB . . . . . . . . . rr_1i6f 1 . 1 . 721 . 1 1 51 VAL CG1 C 1.411 4.960 0.504 . . . 1.0 . . . . . . . . . . . . A . 51 VAL CG1 . . . . . . . . . rr_1i6f 1 . 1 . 722 . 1 1 51 VAL CG2 C 2.829 6.335 -1.025 . . . 1.0 . . . . . . . . . . . . A . 51 VAL CG2 . . . . . . . . . rr_1i6f 1 . 1 . 723 . 1 1 51 VAL H H 4.215 6.815 1.183 . . . 1.0 . . . . . . . . . . . . A . 51 VAL H . . . . . . . . . rr_1i6f 1 . 1 . 724 . 1 1 51 VAL HA H 3.776 3.853 1.155 . . . 1.0 . . . . . . . . . . . . A . 51 VAL HA . . . . . . . . . rr_1i6f 1 . 1 . 725 . 1 1 51 VAL HB H 2.663 4.193 -1.063 . . . 1.0 . . . . . . . . . . . . A . 51 VAL HB . . . . . . . . . rr_1i6f 1 . 1 . 726 . 1 1 51 VAL HG11 H 1.577 5.474 1.439 . . . 1.0 . . . . . . . . . . . . A . 51 VAL HG11 . . . . . . . . . rr_1i6f 1 . 1 . 727 . 1 1 51 VAL HG12 H 1.127 3.937 0.700 . . . 1.0 . . . . . . . . . . . . A . 51 VAL HG12 . . . . . . . . . rr_1i6f 1 . 1 . 728 . 1 1 51 VAL HG13 H 0.622 5.454 -0.044 . . . 1.0 . . . . . . . . . . . . A . 51 VAL HG13 . . . . . . . . . rr_1i6f 1 . 1 . 729 . 1 1 51 VAL HG21 H 1.928 6.910 -0.870 . . . 1.0 . . . . . . . . . . . . A . 51 VAL HG21 . . . . . . . . . rr_1i6f 1 . 1 . 730 . 1 1 51 VAL HG22 H 2.980 6.180 -2.083 . . . 1.0 . . . . . . . . . . . . A . 51 VAL HG22 . . . . . . . . . rr_1i6f 1 . 1 . 731 . 1 1 51 VAL HG23 H 3.672 6.872 -0.616 . . . 1.0 . . . . . . . . . . . . A . 51 VAL HG23 . . . . . . . . . rr_1i6f 1 . 1 . 732 . 1 1 51 VAL N N 3.904 5.944 1.508 . . . 1.0 . . . . . . . . . . . . A . 51 VAL N . . . . . . . . . rr_1i6f 1 . 1 . 733 . 1 1 51 VAL O O 5.975 5.655 -0.214 . . . 1.0 . . . . . . . . . . . . A . 51 VAL O . . . . . . . . . rr_1i6f 1 . 1 . 734 . 1 1 52 SER C C 6.428 4.060 -3.152 . . . 1.0 . . . . . . . . . . . . A . 52 SER C . . . . . . . . . rr_1i6f 1 . 1 . 735 . 1 1 52 SER CA C 6.680 3.546 -1.732 . . . 1.0 . . . . . . . . . . . . A . 52 SER CA . . . . . . . . . rr_1i6f 1 . 1 . 736 . 1 1 52 SER CB C 7.019 2.056 -1.753 . . . 1.0 . . . . . . . . . . . . A . 52 SER CB . . . . . . . . . rr_1i6f 1 . 1 . 737 . 1 1 52 SER H H 4.793 2.905 -0.910 . . . 1.0 . . . . . . . . . . . . A . 52 SER H . . . . . . . . . rr_1i6f 1 . 1 . 738 . 1 1 52 SER HA H 7.480 4.099 -1.266 . . . 1.0 . . . . . . . . . . . . A . 52 SER HA . . . . . . . . . rr_1i6f 1 . 1 . 739 . 1 1 52 SER HB2 H 7.326 1.740 -0.770 . . . 1.0 . . . . . . . . . . . . A . 52 SER HB2 . . . . . . . . . rr_1i6f 1 . 1 . 740 . 1 1 52 SER HB3 H 6.145 1.493 -2.053 . . . 1.0 . . . . . . . . . . . . A . 52 SER HB3 . . . . . . . . . rr_1i6f 1 . 1 . 741 . 1 1 52 SER HG H 8.772 1.346 -2.210 . . . 1.0 . . . . . . . . . . . . A . 52 SER HG . . . . . . . . . rr_1i6f 1 . 1 . 742 . 1 1 52 SER N N 5.434 3.646 -0.919 . . . 1.0 . . . . . . . . . . . . A . 52 SER N . . . . . . . . . rr_1i6f 1 . 1 . 743 . 1 1 52 SER O O 5.438 3.732 -3.775 . . . 1.0 . . . . . . . . . . . . A . 52 SER O . . . . . . . . . rr_1i6f 1 . 1 . 744 . 1 1 52 SER OG O 8.082 1.830 -2.670 . . . 1.0 . . . . . . . . . . . . A . 52 SER OG . . . . . . . . . rr_1i6f 1 . 1 . 745 . 1 1 53 ASP C C 7.814 4.484 -6.067 . . . 1.0 . . . . . . . . . . . . A . 53 ASP C . . . . . . . . . rr_1i6f 1 . 1 . 746 . 1 1 53 ASP CA C 7.128 5.397 -5.047 . . . 1.0 . . . . . . . . . . . . A . 53 ASP CA . . . . . . . . . rr_1i6f 1 . 1 . 747 . 1 1 53 ASP CB C 7.789 6.776 -5.032 . . . 1.0 . . . . . . . . . . . . A . 53 ASP CB . . . . . . . . . rr_1i6f 1 . 1 . 748 . 1 1 53 ASP CG C 9.278 6.625 -4.714 . . . 1.0 . . . . . . . . . . . . A . 53 ASP CG . . . . . . . . . rr_1i6f 1 . 1 . 749 . 1 1 53 ASP H H 8.109 5.116 -3.149 . . . 1.0 . . . . . . . . . . . . A . 53 ASP H . . . . . . . . . rr_1i6f 1 . 1 . 750 . 1 1 53 ASP HA H 6.078 5.495 -5.273 . . . 1.0 . . . . . . . . . . . . A . 53 ASP HA . . . . . . . . . rr_1i6f 1 . 1 . 751 . 1 1 53 ASP HB2 H 7.672 7.241 -6.001 . . . 1.0 . . . . . . . . . . . . A . 53 ASP HB2 . . . . . . . . . rr_1i6f 1 . 1 . 752 . 1 1 53 ASP HB3 H 7.322 7.391 -4.278 . . . 1.0 . . . . . . . . . . . . A . 53 ASP HB3 . . . . . . . . . rr_1i6f 1 . 1 . 753 . 1 1 53 ASP N N 7.317 4.863 -3.668 . . . 1.0 . . . . . . . . . . . . A . 53 ASP N . . . . . . . . . rr_1i6f 1 . 1 . 754 . 1 1 53 ASP O O 8.271 4.926 -7.102 . . . 1.0 . . . . . . . . . . . . A . 53 ASP O . . . . . . . . . rr_1i6f 1 . 1 . 755 . 1 1 53 ASP OD1 O 9.600 5.830 -3.847 . . . 1.0 . . . . . . . . . . . . A . 53 ASP OD1 . . . . . . . . . rr_1i6f 1 . 1 . 756 . 1 1 53 ASP OD2 O 10.070 7.308 -5.342 . . . 1.0 . . . . . . . . . . . . A . 53 ASP OD2 . . . . . . . . . rr_1i6f 1 . 1 . 757 . 1 1 54 SER C C 7.929 0.876 -6.609 . . . 1.0 . . . . . . . . . . . . A . 54 SER C . . . . . . . . . rr_1i6f 1 . 1 . 758 . 1 1 54 SER CA C 8.544 2.272 -6.735 . . . 1.0 . . . . . . . . . . . . A . 54 SER CA . . . . . . . . . rr_1i6f 1 . 1 . 759 . 1 1 54 SER CB C 10.014 2.249 -6.320 . . . 1.0 . . . . . . . . . . . . A . 54 SER CB . . . . . . . . . rr_1i6f 1 . 1 . 760 . 1 1 54 SER H H 7.513 2.876 -4.942 . . . 1.0 . . . . . . . . . . . . A . 54 SER H . . . . . . . . . rr_1i6f 1 . 1 . 761 . 1 1 54 SER HA H 8.452 2.635 -7.747 . . . 1.0 . . . . . . . . . . . . A . 54 SER HA . . . . . . . . . rr_1i6f 1 . 1 . 762 . 1 1 54 SER HB2 H 10.623 1.958 -7.159 . . . 1.0 . . . . . . . . . . . . A . 54 SER HB2 . . . . . . . . . rr_1i6f 1 . 1 . 763 . 1 1 54 SER HB3 H 10.309 3.237 -5.990 . . . 1.0 . . . . . . . . . . . . A . 54 SER HB3 . . . . . . . . . rr_1i6f 1 . 1 . 764 . 1 1 54 SER HG H 11.010 1.524 -4.814 . . . 1.0 . . . . . . . . . . . . A . 54 SER HG . . . . . . . . . rr_1i6f 1 . 1 . 765 . 1 1 54 SER N N 7.888 3.212 -5.782 . . . 1.0 . . . . . . . . . . . . A . 54 SER N . . . . . . . . . rr_1i6f 1 . 1 . 766 . 1 1 54 SER O O 7.781 0.348 -5.524 . . . 1.0 . . . . . . . . . . . . A . 54 SER O . . . . . . . . . rr_1i6f 1 . 1 . 767 . 1 1 54 SER OG O 10.190 1.311 -5.267 . . . 1.0 . . . . . . . . . . . . A . 54 SER OG . . . . . . . . . rr_1i6f 1 . 1 . 768 . 1 1 55 ALA C C 8.054 -2.145 -7.466 . . . 1.0 . . . . . . . . . . . . A . 55 ALA C . . . . . . . . . rr_1i6f 1 . 1 . 769 . 1 1 55 ALA CA C 6.962 -1.087 -7.651 . . . 1.0 . . . . . . . . . . . . A . 55 ALA CA . . . . . . . . . rr_1i6f 1 . 1 . 770 . 1 1 55 ALA CB C 6.263 -1.268 -8.998 . . . 1.0 . . . . . . . . . . . . A . 55 ALA CB . . . . . . . . . rr_1i6f 1 . 1 . 771 . 1 1 55 ALA H H 7.695 0.717 -8.574 . . . 1.0 . . . . . . . . . . . . A . 55 ALA H . . . . . . . . . rr_1i6f 1 . 1 . 772 . 1 1 55 ALA HA H 6.241 -1.145 -6.851 . . . 1.0 . . . . . . . . . . . . A . 55 ALA HA . . . . . . . . . rr_1i6f 1 . 1 . 773 . 1 1 55 ALA HB1 H 6.991 -1.538 -9.748 . . . 1.0 . . . . . . . . . . . . A . 55 ALA HB1 . . . . . . . . . rr_1i6f 1 . 1 . 774 . 1 1 55 ALA HB2 H 5.782 -0.343 -9.281 . . . 1.0 . . . . . . . . . . . . A . 55 ALA HB2 . . . . . . . . . rr_1i6f 1 . 1 . 775 . 1 1 55 ALA HB3 H 5.522 -2.049 -8.918 . . . 1.0 . . . . . . . . . . . . A . 55 ALA HB3 . . . . . . . . . rr_1i6f 1 . 1 . 776 . 1 1 55 ALA N N 7.568 0.274 -7.709 . . . 1.0 . . . . . . . . . . . . A . 55 ALA N . . . . . . . . . rr_1i6f 1 . 1 . 777 . 1 1 55 ALA O O 7.790 -3.331 -7.477 . . . 1.0 . . . . . . . . . . . . A . 55 ALA O . . . . . . . . . rr_1i6f 1 . 1 . 778 . 1 1 56 THR C C 11.286 -2.275 -5.952 . . . 1.0 . . . . . . . . . . . . A . 56 THR C . . . . . . . . . rr_1i6f 1 . 1 . 779 . 1 1 56 THR CA C 10.384 -2.707 -7.112 . . . 1.0 . . . . . . . . . . . . A . 56 THR CA . . . . . . . . . rr_1i6f 1 . 1 . 780 . 1 1 56 THR CB C 11.158 -2.685 -8.431 . . . 1.0 . . . . . . . . . . . . A . 56 THR CB . . . . . . . . . rr_1i6f 1 . 1 . 781 . 1 1 56 THR CG2 C 11.575 -4.108 -8.805 . . . 1.0 . . . . . . . . . . . . A . 56 THR CG2 . . . . . . . . . rr_1i6f 1 . 1 . 782 . 1 1 56 THR H H 9.469 -0.764 -7.292 . . . 1.0 . . . . . . . . . . . . A . 56 THR H . . . . . . . . . rr_1i6f 1 . 1 . 783 . 1 1 56 THR HA H 9.987 -3.694 -6.935 . . . 1.0 . . . . . . . . . . . . A . 56 THR HA . . . . . . . . . rr_1i6f 1 . 1 . 784 . 1 1 56 THR HB H 12.040 -2.073 -8.321 . . . 1.0 . . . . . . . . . . . . A . 56 THR HB . . . . . . . . . rr_1i6f 1 . 1 . 785 . 1 1 56 THR HG1 H 10.808 -1.424 -9.870 . . . 1.0 . . . . . . . . . . . . A . 56 THR HG1 . . . . . . . . . rr_1i6f 1 . 1 . 786 . 1 1 56 THR HG21 H 10.753 -4.784 -8.619 . . . 1.0 . . . . . . . . . . . . A . 56 THR HG21 . . . . . . . . . rr_1i6f 1 . 1 . 787 . 1 1 56 THR HG22 H 12.425 -4.402 -8.208 . . . 1.0 . . . . . . . . . . . . A . 56 THR HG22 . . . . . . . . . rr_1i6f 1 . 1 . 788 . 1 1 56 THR HG23 H 11.840 -4.142 -9.851 . . . 1.0 . . . . . . . . . . . . A . 56 THR HG23 . . . . . . . . . rr_1i6f 1 . 1 . 789 . 1 1 56 THR N N 9.278 -1.725 -7.297 . . . 1.0 . . . . . . . . . . . . A . 56 THR N . . . . . . . . . rr_1i6f 1 . 1 . 790 . 1 1 56 THR O O 12.435 -1.930 -6.143 . . . 1.0 . . . . . . . . . . . . A . 56 THR O . . . . . . . . . rr_1i6f 1 . 1 . 791 . 1 1 56 THR OG1 O 10.332 -2.146 -9.454 . . . 1.0 . . . . . . . . . . . . A . 56 THR OG1 . . . . . . . . . rr_1i6f 1 . 1 . 792 . 1 1 57 ASN C C 12.021 -3.115 -2.773 . . . 1.0 . . . . . . . . . . . . A . 57 ASN C . . . . . . . . . rr_1i6f 1 . 1 . 793 . 1 1 57 ASN CA C 11.603 -1.884 -3.582 . . . 1.0 . . . . . . . . . . . . A . 57 ASN CA . . . . . . . . . rr_1i6f 1 . 1 . 794 . 1 1 57 ASN CB C 10.695 -0.979 -2.750 . . . 1.0 . . . . . . . . . . . . A . 57 ASN CB . . . . . . . . . rr_1i6f 1 . 1 . 795 . 1 1 57 ASN CG C 9.621 -1.824 -2.064 . . . 1.0 . . . . . . . . . . . . A . 57 ASN CG . . . . . . . . . rr_1i6f 1 . 1 . 796 . 1 1 57 ASN H H 9.845 -2.575 -4.620 . . . 1.0 . . . . . . . . . . . . A . 57 ASN H . . . . . . . . . rr_1i6f 1 . 1 . 797 . 1 1 57 ASN HA H 12.472 -1.334 -3.909 . . . 1.0 . . . . . . . . . . . . A . 57 ASN HA . . . . . . . . . rr_1i6f 1 . 1 . 798 . 1 1 57 ASN HB2 H 11.284 -0.467 -2.003 . . . 1.0 . . . . . . . . . . . . A . 57 ASN HB2 . . . . . . . . . rr_1i6f 1 . 1 . 799 . 1 1 57 ASN HB3 H 10.221 -0.253 -3.395 . . . 1.0 . . . . . . . . . . . . A . 57 ASN HB3 . . . . . . . . . rr_1i6f 1 . 1 . 800 . 1 1 57 ASN HD21 H 10.532 -1.806 -0.300 . . . 1.0 . . . . . . . . . . . . A . 57 ASN HD21 . . . . . . . . . rr_1i6f 1 . 1 . 801 . 1 1 57 ASN HD22 H 9.069 -2.665 -0.351 . . . 1.0 . . . . . . . . . . . . A . 57 ASN HD22 . . . . . . . . . rr_1i6f 1 . 1 . 802 . 1 1 57 ASN N N 10.774 -2.293 -4.752 . . . 1.0 . . . . . . . . . . . . A . 57 ASN N . . . . . . . . . rr_1i6f 1 . 1 . 803 . 1 1 57 ASN ND2 N 9.752 -2.123 -0.800 . . . 1.0 . . . . . . . . . . . . A . 57 ASN ND2 . . . . . . . . . rr_1i6f 1 . 1 . 804 . 1 1 57 ASN O O 11.484 -4.192 -2.942 . . . 1.0 . . . . . . . . . . . . A . 57 ASN O . . . . . . . . . rr_1i6f 1 . 1 . 805 . 1 1 57 ASN OD1 O 8.652 -2.218 -2.684 . . . 1.0 . . . . . . . . . . . . A . 57 ASN OD1 . . . . . . . . . rr_1i6f 1 . 1 . 806 . 1 1 58 ILE C C 13.587 -3.712 0.388 . . . 1.0 . . . . . . . . . . . . A . 58 ILE C . . . . . . . . . rr_1i6f 1 . 1 . 807 . 1 1 58 ILE CA C 13.426 -4.127 -1.077 . . . 1.0 . . . . . . . . . . . . A . 58 ILE CA . . . . . . . . . rr_1i6f 1 . 1 . 808 . 1 1 58 ILE CB C 14.775 -4.530 -1.672 . . . 1.0 . . . . . . . . . . . . A . 58 ILE CB . . . . . . . . . rr_1i6f 1 . 1 . 809 . 1 1 58 ILE CD1 C 15.174 -4.399 -4.135 . . . 1.0 . . . . . . . . . . . . A . 58 ILE CD1 . . . . . . . . . rr_1i6f 1 . 1 . 810 . 1 1 58 ILE CG1 C 14.551 -5.232 -3.013 . . . 1.0 . . . . . . . . . . . . A . 58 ILE CG1 . . . . . . . . . rr_1i6f 1 . 1 . 811 . 1 1 58 ILE CG2 C 15.492 -5.482 -0.713 . . . 1.0 . . . . . . . . . . . . A . 58 ILE CG2 . . . . . . . . . rr_1i6f 1 . 1 . 812 . 1 1 58 ILE H H 13.395 -2.088 -1.774 . . . 1.0 . . . . . . . . . . . . A . 58 ILE H . . . . . . . . . rr_1i6f 1 . 1 . 813 . 1 1 58 ILE HA H 12.726 -4.943 -1.164 . . . 1.0 . . . . . . . . . . . . A . 58 ILE HA . . . . . . . . . rr_1i6f 1 . 1 . 814 . 1 1 58 ILE HB H 15.380 -3.647 -1.821 . . . 1.0 . . . . . . . . . . . . A . 58 ILE HB . . . . . . . . . rr_1i6f 1 . 1 . 815 . 1 1 58 ILE HD11 H 16.223 -4.247 -3.931 . . . 1.0 . . . . . . . . . . . . A . 58 ILE HD11 . . . . . . . . . rr_1i6f 1 . 1 . 816 . 1 1 58 ILE HD12 H 14.676 -3.442 -4.193 . . . 1.0 . . . . . . . . . . . . A . 58 ILE HD12 . . . . . . . . . rr_1i6f 1 . 1 . 817 . 1 1 58 ILE HD13 H 15.062 -4.920 -5.075 . . . 1.0 . . . . . . . . . . . . A . 58 ILE HD13 . . . . . . . . . rr_1i6f 1 . 1 . 818 . 1 1 58 ILE HG12 H 15.013 -6.208 -2.989 . . . 1.0 . . . . . . . . . . . . A . 58 ILE HG12 . . . . . . . . . rr_1i6f 1 . 1 . 819 . 1 1 58 ILE HG13 H 13.492 -5.338 -3.192 . . . 1.0 . . . . . . . . . . . . A . 58 ILE HG13 . . . . . . . . . rr_1i6f 1 . 1 . 820 . 1 1 58 ILE HG21 H 16.258 -4.943 -0.176 . . . 1.0 . . . . . . . . . . . . A . 58 ILE HG21 . . . . . . . . . rr_1i6f 1 . 1 . 821 . 1 1 58 ILE HG22 H 15.944 -6.286 -1.275 . . . 1.0 . . . . . . . . . . . . A . 58 ILE HG22 . . . . . . . . . rr_1i6f 1 . 1 . 822 . 1 1 58 ILE HG23 H 14.780 -5.890 -0.011 . . . 1.0 . . . . . . . . . . . . A . 58 ILE HG23 . . . . . . . . . rr_1i6f 1 . 1 . 823 . 1 1 58 ILE N N 12.975 -2.964 -1.896 . . . 1.0 . . . . . . . . . . . . A . 58 ILE N . . . . . . . . . rr_1i6f 1 . 1 . 824 . 1 1 58 ILE O O 14.493 -2.984 0.741 . . . 1.0 . . . . . . . . . . . . A . 58 ILE O . . . . . . . . . rr_1i6f 1 . 1 . 825 . 1 1 59 CYS C C 13.855 -4.683 3.382 . . . 1.0 . . . . . . . . . . . . A . 59 CYS C . . . . . . . . . rr_1i6f 1 . 1 . 826 . 1 1 59 CYS CA C 12.817 -3.800 2.684 . . . 1.0 . . . . . . . . . . . . A . 59 CYS CA . . . . . . . . . rr_1i6f 1 . 1 . 827 . 1 1 59 CYS CB C 11.423 -4.052 3.259 . . . 1.0 . . . . . . . . . . . . A . 59 CYS CB . . . . . . . . . rr_1i6f 1 . 1 . 828 . 1 1 59 CYS H H 11.989 -4.755 0.938 . . . 1.0 . . . . . . . . . . . . A . 59 CYS H . . . . . . . . . rr_1i6f 1 . 1 . 829 . 1 1 59 CYS HA H 13.076 -2.758 2.789 . . . 1.0 . . . . . . . . . . . . A . 59 CYS HA . . . . . . . . . rr_1i6f 1 . 1 . 830 . 1 1 59 CYS HB2 H 10.732 -3.325 2.859 . . . 1.0 . . . . . . . . . . . . A . 59 CYS HB2 . . . . . . . . . rr_1i6f 1 . 1 . 831 . 1 1 59 CYS HB3 H 11.097 -5.046 2.989 . . . 1.0 . . . . . . . . . . . . A . 59 CYS HB3 . . . . . . . . . rr_1i6f 1 . 1 . 832 . 1 1 59 CYS N N 12.713 -4.169 1.243 . . . 1.0 . . . . . . . . . . . . A . 59 CYS N . . . . . . . . . rr_1i6f 1 . 1 . 833 . 1 1 59 CYS O O 13.835 -5.892 3.265 . . . 1.0 . . . . . . . . . . . . A . 59 CYS O . . . . . . . . . rr_1i6f 1 . 1 . 834 . 1 1 59 CYS SG S 11.479 -3.904 5.062 . . . 1.0 . . . . . . . . . . . . A . 59 CYS SG . . . . . . . . . rr_1i6f 1 . 1 . 835 . 1 1 60 GLY C C 17.094 -4.086 4.912 . . . 1.0 . . . . . . . . . . . . A . 60 GLY C . . . . . . . . . rr_1i6f 1 . 1 . 836 . 1 1 60 GLY CA C 15.798 -4.894 4.813 . . . 1.0 . . . . . . . . . . . . A . 60 GLY CA . . . . . . . . . rr_1i6f 1 . 1 . 837 . 1 1 60 GLY H H 14.760 -3.111 4.190 . . . 1.0 . . . . . . . . . . . . A . 60 GLY H . . . . . . . . . rr_1i6f 1 . 1 . 838 . 1 1 60 GLY HA2 H 15.449 -5.140 5.806 . . . 1.0 . . . . . . . . . . . . A . 60 GLY HA2 . . . . . . . . . rr_1i6f 1 . 1 . 839 . 1 1 60 GLY HA3 H 15.986 -5.802 4.261 . . . 1.0 . . . . . . . . . . . . A . 60 GLY HA3 . . . . . . . . . rr_1i6f 1 . 1 . 840 . 1 1 60 GLY N N 14.761 -4.088 4.108 . . . 1.0 . . . . . . . . . . . . A . 60 GLY N . . . . . . . . . rr_1i6f 1 . 1 . 841 . 1 1 60 GLY O O 17.067 -2.917 4.566 . . . 1.0 . . . . . . . . . . . . A . 60 GLY O . . . . . . . . . rr_1i6f 1 . 1 . 842 . 1 1 60 GLY OXT O 18.090 -4.651 5.333 . . . 1.0 . . . . . . . . . . . . A . 60 GLY OXT . . . . . . . . . rr_1i6f 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_1i6f _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 1i6f.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1i6f 1 1 1i6f.mr . . XPLOR/CNS 2 distance NOE simple 852 rr_1i6f 1 1 1i6f.mr . . XPLOR/CNS 3 distance 'hydrogen bond' simple 70 rr_1i6f 1 1 1i6f.mr . . XPLOR/CNS 4 'dihedral angle' 'Not applicable' 'Not applicable' 76 rr_1i6f 1 1 1i6f.mr . . 'MR format' 5 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1i6f 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID rr_1i6f _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_1i6f 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 LYS HA H . . . 1 1 1 1 LYS HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 1 LYS HA . . A . 1 LYS HB3 . . . 1 . HA . . . . . 1 . HB1 . . rr_1i6f 1 2 1 . . 1 1 1 1 LYS HA H . . . 1 1 1 1 LYS HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 1 LYS HA . . A . 1 LYS HB2 . . . 1 . HA . . . . . 1 . HB2 . . rr_1i6f 1 3 1 OR . 1 1 1 1 LYS HA H . . . 1 1 1 1 LYS HG2 H . . . . . 4.0 0.8 6.0 . . . . . A . 1 LYS HA . . A . 1 LYS HG2 . . . 1 . HA . . . . . 1 . HG# . . rr_1i6f 1 3 2 OR . 1 1 1 1 LYS HA H . . . 1 1 1 1 LYS HG3 H . . . . . 4.0 0.8 6.0 . . . . . A . 1 LYS HA . . A . 1 LYS HG3 . . . 1 . HA . . . . . 1 . HG# . . rr_1i6f 1 4 1 OR . 1 1 1 1 LYS HE3 H . . . 1 1 1 1 LYS HG2 H . . . . . 4.0 0.8 6.0 . . . . . A . 1 LYS HE3 . . A . 1 LYS HG2 . . . 1 . HE1 . . . . . 1 . HG# . . rr_1i6f 1 4 2 OR . 1 1 1 1 LYS HG3 H . . . 1 1 1 1 LYS HE3 H . . . . . 4.0 0.8 6.0 . . . . . A . 1 LYS HG3 . . A . 1 LYS HE3 . . . 1 . HG# . . . . . 1 . HE1 . . rr_1i6f 1 5 1 OR . 1 1 1 1 LYS HE2 H . . . 1 1 1 1 LYS HG2 H . . . . . 4.0 0.8 6.0 . . . . . A . 1 LYS HE2 . . A . 1 LYS HG2 . . . 1 . HE2 . . . . . 1 . HG# . . rr_1i6f 1 5 2 OR . 1 1 1 1 LYS HG3 H . . . 1 1 1 1 LYS HE2 H . . . . . 4.0 0.8 6.0 . . . . . A . 1 LYS HG3 . . A . 1 LYS HE2 . . . 1 . HG# . . . . . 1 . HE2 . . rr_1i6f 1 6 1 OR . 1 1 1 1 LYS HE3 H . . . 1 1 1 1 LYS HD2 H . . . . . 4.0 0.8 6.0 . . . . . A . 1 LYS HE3 . . A . 1 LYS HD2 . . . 1 . HE1 . . . . . 1 . HD# . . rr_1i6f 1 6 2 OR . 1 1 1 1 LYS HE3 H . . . 1 1 1 1 LYS HD3 H . . . . . 4.0 0.8 6.0 . . . . . A . 1 LYS HE3 . . A . 1 LYS HD3 . . . 1 . HE1 . . . . . 1 . HD# . . rr_1i6f 1 7 1 OR . 1 1 1 1 LYS HE2 H . . . 1 1 1 1 LYS HD2 H . . . . . 4.0 0.8 6.0 . . . . . A . 1 LYS HE2 . . A . 1 LYS HD2 . . . 1 . HE2 . . . . . 1 . HD# . . rr_1i6f 1 7 2 OR . 1 1 1 1 LYS HE2 H . . . 1 1 1 1 LYS HD3 H . . . . . 4.0 0.8 6.0 . . . . . A . 1 LYS HE2 . . A . 1 LYS HD3 . . . 1 . HE2 . . . . . 1 . HD# . . rr_1i6f 1 8 1 . . 1 1 1 1 LYS HA H . . . 1 1 2 2 ASP H H . . . . . 2.3 1.8 2.5 . . . . . A . 1 LYS HA . . A . 2 ASP H . . . 1 . HA . . . . . 2 . HN . . rr_1i6f 1 9 1 . . 1 1 2 2 ASP H H . . . 1 1 1 1 LYS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 2 ASP H . . A . 1 LYS HB3 . . . 2 . HN . . . . . 1 . HB1 . . rr_1i6f 1 10 1 . . 1 1 2 2 ASP H H . . . 1 1 1 1 LYS HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 2 ASP H . . A . 1 LYS HB2 . . . 2 . HN . . . . . 1 . HB2 . . rr_1i6f 1 11 1 . . 1 1 1 1 LYS HG3 H . . . 1 1 2 2 ASP H H . . . . . 4.0 1.8 5.0 . . . . . A . 1 LYS HG3 . . A . 2 ASP H . . . 1 . HG1 . . . . . 2 . HN . . rr_1i6f 1 12 1 . . 1 1 2 2 ASP H H . . . 1 1 1 1 LYS HG2 H . . . . . 4.0 1.8 5.0 . . . . . A . 2 ASP H . . A . 1 LYS HG2 . . . 2 . HN . . . . . 1 . HG2 . . rr_1i6f 1 13 1 OR . 1 1 47 47 GLU HA H . . . 1 1 1 1 LYS HB3 H . . . . . 4.0 0.8 6.0 . . . . . A . 47 GLU HA . . A . 1 LYS HB3 . . . 47 . HA . . . . . 1 . HB# . . rr_1i6f 1 13 2 OR . 1 1 1 1 LYS HB2 H . . . 1 1 47 47 GLU HA H . . . . . 4.0 0.8 6.0 . . . . . A . 1 LYS HB2 . . A . 47 GLU HA . . . 1 . HB# . . . . . 47 . HA . . rr_1i6f 1 14 1 OR . 1 1 47 47 GLU HA H . . . 1 1 1 1 LYS HG2 H . . . . . 4.0 0.8 6.0 . . . . . A . 47 GLU HA . . A . 1 LYS HG2 . . . 47 . HA . . . . . 1 . HG# . . rr_1i6f 1 14 2 OR . 1 1 1 1 LYS HG3 H . . . 1 1 47 47 GLU HA H . . . . . 4.0 0.8 6.0 . . . . . A . 1 LYS HG3 . . A . 47 GLU HA . . . 1 . HG# . . . . . 47 . HA . . rr_1i6f 1 15 1 OR . 1 1 47 47 GLU HA H . . . 1 1 1 1 LYS HD2 H . . . . . 4.0 0.8 6.0 . . . . . A . 47 GLU HA . . A . 1 LYS HD2 . . . 47 . HA . . . . . 1 . HD# . . rr_1i6f 1 15 2 OR . 1 1 1 1 LYS HD3 H . . . 1 1 47 47 GLU HA H . . . . . 4.0 0.8 6.0 . . . . . A . 1 LYS HD3 . . A . 47 GLU HA . . . 1 . HD# . . . . . 47 . HA . . rr_1i6f 1 16 1 . . 1 1 1 1 LYS HE3 H . . . 1 1 47 47 GLU HA H . . . . . 4.0 1.8 5.0 . . . . . A . 1 LYS HE3 . . A . 47 GLU HA . . . 1 . HE1 . . . . . 47 . HA . . rr_1i6f 1 17 1 . . 1 1 1 1 LYS HE2 H . . . 1 1 47 47 GLU HA H . . . . . 4.0 1.8 5.0 . . . . . A . 1 LYS HE2 . . A . 47 GLU HA . . . 1 . HE2 . . . . . 47 . HA . . rr_1i6f 1 18 1 . . 1 1 1 1 LYS HE3 H . . . 1 1 49 49 ALA MB H . . . . . 4.0 0.7 6.1 . . . . . A . 1 LYS HE3 . . A . 49 ALA MB . . . 1 . HE1 . . . . . 49 . HB# . . rr_1i6f 1 19 1 . . 1 1 1 1 LYS HE2 H . . . 1 1 49 49 ALA MB H . . . . . 4.0 0.7 6.1 . . . . . A . 1 LYS HE2 . . A . 49 ALA MB . . . 1 . HE2 . . . . . 49 . HB# . . rr_1i6f 1 20 1 . . 1 1 1 1 LYS HE3 H . . . 1 1 51 51 VAL MG1 H . . . . . 4.0 0.7 6.1 . . . . . A . 1 LYS HE3 . . A . 51 VAL MG1 . . . 1 . HE1 . . . . . 51 . HG1# . . rr_1i6f 1 21 1 . . 1 1 1 1 LYS HE2 H . . . 1 1 51 51 VAL MG1 H . . . . . 4.0 0.7 6.1 . . . . . A . 1 LYS HE2 . . A . 51 VAL MG1 . . . 1 . HE2 . . . . . 51 . HG1# . . rr_1i6f 1 22 1 . . 1 1 1 1 LYS HE3 H . . . 1 1 51 51 VAL MG2 H . . . . . 4.0 0.7 6.1 . . . . . A . 1 LYS HE3 . . A . 51 VAL MG2 . . . 1 . HE1 . . . . . 51 . HG2# . . rr_1i6f 1 23 1 . . 1 1 1 1 LYS HE2 H . . . 1 1 51 51 VAL MG2 H . . . . . 4.0 0.7 6.1 . . . . . A . 1 LYS HE2 . . A . 51 VAL MG2 . . . 1 . HE2 . . . . . 51 . HG2# . . rr_1i6f 1 24 1 . . 1 1 2 2 ASP H H . . . 1 1 2 2 ASP HA H . . . . . 4.0 1.8 5.0 . . . . . A . 2 ASP H . . A . 2 ASP HA . . . 2 . HN . . . . . 2 . HA . . rr_1i6f 1 25 1 . . 1 1 2 2 ASP H H . . . 1 1 2 2 ASP HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 2 ASP H . . A . 2 ASP HB3 . . . 2 . HN . . . . . 2 . HB1 . . rr_1i6f 1 26 1 . . 1 1 2 2 ASP H H . . . 1 1 2 2 ASP HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 2 ASP H . . A . 2 ASP HB2 . . . 2 . HN . . . . . 2 . HB2 . . rr_1i6f 1 27 1 . . 1 1 2 2 ASP HA H . . . 1 1 2 2 ASP HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 2 ASP HA . . A . 2 ASP HB3 . . . 2 . HA . . . . . 2 . HB1 . . rr_1i6f 1 28 1 . . 1 1 2 2 ASP HA H . . . 1 1 2 2 ASP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 2 ASP HA . . A . 2 ASP HB2 . . . 2 . HA . . . . . 2 . HB2 . . rr_1i6f 1 29 1 . . 1 1 2 2 ASP HA H . . . 1 1 3 3 GLY H H . . . . . 2.3 1.8 2.5 . . . . . A . 2 ASP HA . . A . 3 GLY H . . . 2 . HA . . . . . 3 . HN . . rr_1i6f 1 30 1 . . 1 1 2 2 ASP HB3 H . . . 1 1 3 3 GLY H H . . . . . 3.0 1.8 3.3 . . . . . A . 2 ASP HB3 . . A . 3 GLY H . . . 2 . HB1 . . . . . 3 . HN . . rr_1i6f 1 31 1 . . 1 1 2 2 ASP HB2 H . . . 1 1 3 3 GLY H H . . . . . 4.0 1.8 5.0 . . . . . A . 2 ASP HB2 . . A . 3 GLY H . . . 2 . HB2 . . . . . 3 . HN . . rr_1i6f 1 32 1 . . 1 1 2 2 ASP H H . . . 1 1 3 3 GLY H H . . . . . 4.0 1.8 5.0 . . . . . A . 2 ASP H . . A . 3 GLY H . . . 2 . HN . . . . . 3 . HN . . rr_1i6f 1 33 1 . . 1 1 2 2 ASP HB3 H . . . 1 1 41 41 TYR HE1 H . . . . . 3.0 0.8 3.5 . . . . . A . 2 ASP HB3 . . A . 41 TYR HE1 . . . 2 . HB1 . . . . . 41 . HE1 . . rr_1i6f 1 34 1 . . 1 1 2 2 ASP HB2 H . . . 1 1 41 41 TYR HE1 H . . . . . 4.0 1.8 5.0 . . . . . A . 2 ASP HB2 . . A . 41 TYR HE1 . . . 2 . HB2 . . . . . 41 . HE1 . . rr_1i6f 1 35 1 . . 1 1 2 2 ASP HA H . . . 1 1 43 43 GLU HA H . . . . . 3.0 1.8 3.3 . . . . . A . 2 ASP HA . . A . 43 GLU HA . . . 2 . HA . . . . . 43 . HA . . rr_1i6f 1 36 1 . . 1 1 2 2 ASP HB2 H . . . 1 1 43 43 GLU HA H . . . . . 4.0 1.8 5.0 . . . . . A . 2 ASP HB2 . . A . 43 GLU HA . . . 2 . HB2 . . . . . 43 . HA . . rr_1i6f 1 37 1 . . 1 1 2 2 ASP HB3 H . . . 1 1 43 43 GLU HA H . . . . . 4.0 1.8 5.0 . . . . . A . 2 ASP HB3 . . A . 43 GLU HA . . . 2 . HB1 . . . . . 43 . HA . . rr_1i6f 1 38 1 . . 1 1 2 2 ASP HA H . . . 1 1 44 44 GLY H H . . . . . 3.0 1.8 3.3 . . . . . A . 2 ASP HA . . A . 44 GLY H . . . 2 . HA . . . . . 44 . HN . . rr_1i6f 1 39 1 . . 1 1 2 2 ASP HB2 H . . . 1 1 44 44 GLY H H . . . . . 4.0 1.8 5.0 . . . . . A . 2 ASP HB2 . . A . 44 GLY H . . . 2 . HB2 . . . . . 44 . HN . . rr_1i6f 1 40 1 . . 1 1 2 2 ASP HB3 H . . . 1 1 44 44 GLY H H . . . . . 4.0 1.8 5.0 . . . . . A . 2 ASP HB3 . . A . 44 GLY H . . . 2 . HB1 . . . . . 44 . HN . . rr_1i6f 1 41 1 . . 1 1 2 2 ASP HA H . . . 1 1 45 45 LEU H H . . . . . 3.0 1.8 3.3 . . . . . A . 2 ASP HA . . A . 45 LEU H . . . 2 . HA . . . . . 45 . HN . . rr_1i6f 1 42 1 . . 1 1 3 3 GLY H H . . . 1 1 3 3 GLY HA3 H . . . . . 4.0 1.8 5.0 . . . . . A . 3 GLY H . . A . 3 GLY HA3 . . . 3 . HN . . . . . 3 . HA1 . . rr_1i6f 1 43 1 . . 1 1 3 3 GLY H H . . . 1 1 3 3 GLY HA2 H . . . . . 4.0 1.8 5.0 . . . . . A . 3 GLY H . . A . 3 GLY HA2 . . . 3 . HN . . . . . 3 . HA2 . . rr_1i6f 1 44 1 . . 1 1 3 3 GLY HA3 H . . . 1 1 4 4 TYR H H . . . . . 2.5 1.8 2.7 . . . . . A . 3 GLY HA3 . . A . 4 TYR H . . . 3 . HA1 . . . . . 4 . HN . . rr_1i6f 1 45 1 . . 1 1 3 3 GLY HA2 H . . . 1 1 4 4 TYR H H . . . . . 2.5 1.8 2.7 . . . . . A . 3 GLY HA2 . . A . 4 TYR H . . . 3 . HA2 . . . . . 4 . HN . . rr_1i6f 1 46 1 . . 1 1 3 3 GLY H H . . . 1 1 4 4 TYR H H . . . . . 4.0 1.8 5.0 . . . . . A . 3 GLY H . . A . 4 TYR H . . . 3 . HN . . . . . 4 . HN . . rr_1i6f 1 47 1 OR . 1 1 41 41 TYR HE1 H . . . 1 1 3 3 GLY HA2 H . . . . . 2.5 -0.2 4.7 . . . . . A . 41 TYR HE1 . . A . 3 GLY HA2 . . . 41 . HE# . . . . . 3 . HA2 . . rr_1i6f 1 47 2 OR . 1 1 3 3 GLY HA2 H . . . 1 1 41 41 TYR HE2 H . . . . . 2.5 -0.2 4.7 . . . . . A . 3 GLY HA2 . . A . 41 TYR HE2 . . . 3 . HA2 . . . . . 41 . HE# . . rr_1i6f 1 48 1 OR . 1 1 41 41 TYR HE1 H . . . 1 1 3 3 GLY HA3 H . . . . . 4.0 -0.2 7.0 . . . . . A . 41 TYR HE1 . . A . 3 GLY HA3 . . . 41 . HE# . . . . . 3 . HA1 . . rr_1i6f 1 48 2 OR . 1 1 3 3 GLY HA3 H . . . 1 1 41 41 TYR HE2 H . . . . . 4.0 -0.2 7.0 . . . . . A . 3 GLY HA3 . . A . 41 TYR HE2 . . . 3 . HA1 . . . . . 41 . HE# . . rr_1i6f 1 49 1 OR . 1 1 3 3 GLY HA2 H . . . 1 1 41 41 TYR HD1 H . . . . . 4.0 -0.2 7.0 . . . . . A . 3 GLY HA2 . . A . 41 TYR HD1 . . . 3 . HA2 . . . . . 41 . HD# . . rr_1i6f 1 49 2 OR . 1 1 3 3 GLY HA2 H . . . 1 1 41 41 TYR HD2 H . . . . . 4.0 -0.2 7.0 . . . . . A . 3 GLY HA2 . . A . 41 TYR HD2 . . . 3 . HA2 . . . . . 41 . HD# . . rr_1i6f 1 50 1 OR . 1 1 3 3 GLY H H . . . 1 1 41 41 TYR HD1 H . . . . . 4.0 -0.2 7.0 . . . . . A . 3 GLY H . . A . 41 TYR HD1 . . . 3 . HN . . . . . 41 . HD# . . rr_1i6f 1 50 2 OR . 1 1 3 3 GLY H H . . . 1 1 41 41 TYR HD2 H . . . . . 4.0 -0.2 7.0 . . . . . A . 3 GLY H . . A . 41 TYR HD2 . . . 3 . HN . . . . . 41 . HD# . . rr_1i6f 1 51 1 OR . 1 1 3 3 GLY H H . . . 1 1 41 41 TYR HE1 H . . . . . 4.0 -0.2 7.0 . . . . . A . 3 GLY H . . A . 41 TYR HE1 . . . 3 . HN . . . . . 41 . HE# . . rr_1i6f 1 51 2 OR . 1 1 3 3 GLY H H . . . 1 1 41 41 TYR HE2 H . . . . . 4.0 -0.2 7.0 . . . . . A . 3 GLY H . . A . 41 TYR HE2 . . . 3 . HN . . . . . 41 . HE# . . rr_1i6f 1 52 1 . . 1 1 3 3 GLY H H . . . 1 1 42 42 CYS H H . . . . . 3.0 1.8 3.3 . . . . . A . 3 GLY H . . A . 42 CYS H . . . 3 . HN . . . . . 42 . HN . . rr_1i6f 1 53 1 . . 1 1 3 3 GLY H H . . . 1 1 43 43 GLU HA H . . . . . 4.0 1.8 5.0 . . . . . A . 3 GLY H . . A . 43 GLU HA . . . 3 . HN . . . . . 43 . HA . . rr_1i6f 1 54 1 . . 1 1 3 3 GLY H H . . . 1 1 45 45 LEU MD1 H . . . . . 3.0 0.9 4.2 . . . . . A . 3 GLY H . . A . 45 LEU MD1 . . . 3 . HN . . . . . 45 . HD1# . . rr_1i6f 1 55 1 . . 1 1 3 3 GLY HA3 H . . . 1 1 51 51 VAL HB H . . . . . 4.0 1.8 5.0 . . . . . A . 3 GLY HA3 . . A . 51 VAL HB . . . 3 . HA1 . . . . . 51 . HB . . rr_1i6f 1 56 1 . . 1 1 51 51 VAL MG1 H . . . 1 1 3 3 GLY HA3 H . . . . . 4.0 0.7 6.1 . . . . . A . 51 VAL MG1 . . A . 3 GLY HA3 . . . 51 . HG1# . . . . . 3 . HA1 . . rr_1i6f 1 57 1 . . 1 1 51 51 VAL MG2 H . . . 1 1 3 3 GLY HA3 H . . . . . 4.0 0.7 6.1 . . . . . A . 51 VAL MG2 . . A . 3 GLY HA3 . . . 51 . HG2# . . . . . 3 . HA1 . . rr_1i6f 1 58 1 . . 1 1 4 4 TYR H H . . . 1 1 4 4 TYR HA H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TYR H . . A . 4 TYR HA . . . 4 . HN . . . . . 4 . HA . . rr_1i6f 1 59 1 . . 1 1 4 4 TYR H H . . . 1 1 4 4 TYR HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TYR H . . A . 4 TYR HB3 . . . 4 . HN . . . . . 4 . HB1 . . rr_1i6f 1 60 1 . . 1 1 4 4 TYR H H . . . 1 1 4 4 TYR HB2 H . . . . . 2.5 1.8 2.7 . . . . . A . 4 TYR H . . A . 4 TYR HB2 . . . 4 . HN . . . . . 4 . HB2 . . rr_1i6f 1 61 1 . . 1 1 4 4 TYR HA H . . . 1 1 4 4 TYR HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TYR HA . . A . 4 TYR HB2 . . . 4 . HA . . . . . 4 . HB2 . . rr_1i6f 1 62 1 . . 1 1 4 4 TYR HA H . . . 1 1 4 4 TYR HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 4 TYR HA . . A . 4 TYR HB3 . . . 4 . HA . . . . . 4 . HB1 . . rr_1i6f 1 63 1 OR . 1 1 4 4 TYR H H . . . 1 1 4 4 TYR HD1 H . . . . . 3.0 -0.2 5.3 . . . . . A . 4 TYR H . . A . 4 TYR HD1 . . . 4 . HN . . . . . 4 . HD# . . rr_1i6f 1 63 2 OR . 1 1 4 4 TYR H H . . . 1 1 4 4 TYR HD2 H . . . . . 3.0 -0.2 5.3 . . . . . A . 4 TYR H . . A . 4 TYR HD2 . . . 4 . HN . . . . . 4 . HD# . . rr_1i6f 1 64 1 . . 1 1 4 4 TYR H H . . . 1 1 4 4 TYR QE H . . . . . 4.0 -0.2 7.0 . . . . . A . 4 TYR H . . A . 4 TYR QE . . . 4 . HN . . . . . 4 . HE# . . rr_1i6f 1 65 1 . . 1 1 4 4 TYR HA H . . . 1 1 4 4 TYR QE H . . . . . 4.0 -0.2 7.0 . . . . . A . 4 TYR HA . . A . 4 TYR QE . . . 4 . HA . . . . . 4 . HE# . . rr_1i6f 1 66 1 OR . 1 1 4 4 TYR HA H . . . 1 1 4 4 TYR HD1 H . . . . . 3.0 -0.2 5.3 . . . . . A . 4 TYR HA . . A . 4 TYR HD1 . . . 4 . HA . . . . . 4 . HD# . . rr_1i6f 1 66 2 OR . 1 1 4 4 TYR HA H . . . 1 1 4 4 TYR HD2 H . . . . . 3.0 -0.2 5.3 . . . . . A . 4 TYR HA . . A . 4 TYR HD2 . . . 4 . HA . . . . . 4 . HD# . . rr_1i6f 1 67 1 OR . 1 1 4 4 TYR HB2 H . . . 1 1 4 4 TYR HD1 H . . . . . 3.0 -0.2 5.3 . . . . . A . 4 TYR HB2 . . A . 4 TYR HD1 . . . 4 . HB2 . . . . . 4 . HD# . . rr_1i6f 1 67 2 OR . 1 1 4 4 TYR HB2 H . . . 1 1 4 4 TYR HD2 H . . . . . 3.0 -0.2 5.3 . . . . . A . 4 TYR HB2 . . A . 4 TYR HD2 . . . 4 . HB2 . . . . . 4 . HD# . . rr_1i6f 1 68 1 OR . 1 1 4 4 TYR HB3 H . . . 1 1 4 4 TYR HD1 H . . . . . 3.0 -0.2 5.3 . . . . . A . 4 TYR HB3 . . A . 4 TYR HD1 . . . 4 . HB1 . . . . . 4 . HD# . . rr_1i6f 1 68 2 OR . 1 1 4 4 TYR HB3 H . . . 1 1 4 4 TYR HD2 H . . . . . 3.0 -0.2 5.3 . . . . . A . 4 TYR HB3 . . A . 4 TYR HD2 . . . 4 . HB1 . . . . . 4 . HD# . . rr_1i6f 1 69 1 . . 1 1 4 4 TYR HB2 H . . . 1 1 4 4 TYR QE H . . . . . 4.0 0.8 6.3 . . . . . A . 4 TYR HB2 . . A . 4 TYR QE . . . 4 . HB2 . . . . . 4 . HE# . . rr_1i6f 1 70 1 . . 1 1 4 4 TYR HB3 H . . . 1 1 4 4 TYR QE H . . . . . 4.0 0.8 6.3 . . . . . A . 4 TYR HB3 . . A . 4 TYR QE . . . 4 . HB1 . . . . . 4 . HE# . . rr_1i6f 1 71 1 . . 1 1 4 4 TYR HA H . . . 1 1 5 5 PRO HD3 H . . . . . 2.5 1.8 2.7 . . . . . A . 4 TYR HA . . A . 5 PRO HD3 . . . 4 . HA . . . . . 5 . HD1 . . rr_1i6f 1 72 1 . . 1 1 4 4 TYR HA H . . . 1 1 5 5 PRO HD2 H . . . . . 2.5 1.8 2.7 . . . . . A . 4 TYR HA . . A . 5 PRO HD2 . . . 4 . HA . . . . . 5 . HD2 . . rr_1i6f 1 73 1 OR . 1 1 4 4 TYR HB3 H . . . 1 1 5 5 PRO HD3 H . . . . . 4.0 0.8 6.0 . . . . . A . 4 TYR HB3 . . A . 5 PRO HD3 . . . 4 . HB1 . . . . . 5 . HD# . . rr_1i6f 1 73 2 OR . 1 1 4 4 TYR HB3 H . . . 1 1 5 5 PRO HD2 H . . . . . 4.0 0.8 6.0 . . . . . A . 4 TYR HB3 . . A . 5 PRO HD2 . . . 4 . HB1 . . . . . 5 . HD# . . rr_1i6f 1 74 1 OR . 1 1 4 4 TYR HB2 H . . . 1 1 5 5 PRO HD3 H . . . . . 4.0 0.8 6.0 . . . . . A . 4 TYR HB2 . . A . 5 PRO HD3 . . . 4 . HB2 . . . . . 5 . HD# . . rr_1i6f 1 74 2 OR . 1 1 4 4 TYR HB2 H . . . 1 1 5 5 PRO HD2 H . . . . . 4.0 0.8 6.0 . . . . . A . 4 TYR HB2 . . A . 5 PRO HD2 . . . 4 . HB2 . . . . . 5 . HD# . . rr_1i6f 1 75 1 OR . 1 1 4 4 TYR HB3 H . . . 1 1 5 5 PRO HD3 H . . . . . 4.0 0.8 6.0 . . . . . A . 4 TYR HB3 . . A . 5 PRO HD3 . . . 4 . HB1 . . . . . 5 . HD# . . rr_1i6f 1 75 2 OR . 1 1 4 4 TYR HB3 H . . . 1 1 5 5 PRO HD2 H . . . . . 4.0 0.8 6.0 . . . . . A . 4 TYR HB3 . . A . 5 PRO HD2 . . . 4 . HB1 . . . . . 5 . HD# . . rr_1i6f 1 76 1 OR . 1 1 4 4 TYR HB3 H . . . 1 1 12 12 LYS HE3 H . . . . . 4.0 0.8 6.0 . . . . . A . 4 TYR HB3 . . A . 12 LYS HE3 . . . 4 . HB1 . . . . . 12 . HE# . . rr_1i6f 1 76 2 OR . 1 1 4 4 TYR HB3 H . . . 1 1 12 12 LYS HE2 H . . . . . 4.0 0.8 6.0 . . . . . A . 4 TYR HB3 . . A . 12 LYS HE2 . . . 4 . HB1 . . . . . 12 . HE# . . rr_1i6f 1 77 1 OR . 1 1 4 4 TYR HB2 H . . . 1 1 12 12 LYS HE3 H . . . . . 4.0 0.8 6.0 . . . . . A . 4 TYR HB2 . . A . 12 LYS HE3 . . . 4 . HB2 . . . . . 12 . HE# . . rr_1i6f 1 77 2 OR . 1 1 4 4 TYR HB2 H . . . 1 1 12 12 LYS HE2 H . . . . . 4.0 0.8 6.0 . . . . . A . 4 TYR HB2 . . A . 12 LYS HE2 . . . 4 . HB2 . . . . . 12 . HE# . . rr_1i6f 1 78 1 OR . 1 1 12 12 LYS HB2 H . . . 1 1 4 4 TYR HD1 H . . . . . 4.0 -1.2 8.0 . . . . . A . 12 LYS HB2 . . A . 4 TYR HD1 . . . 12 . HB# . . . . . 4 . HD# . . rr_1i6f 1 78 2 OR . 1 1 4 4 TYR HD1 H . . . 1 1 12 12 LYS HB3 H . . . . . 4.0 -1.2 8.0 . . . . . A . 4 TYR HD1 . . A . 12 LYS HB3 . . . 4 . HD# . . . . . 12 . HB# . . rr_1i6f 1 78 3 OR . 1 1 12 12 LYS HB2 H . . . 1 1 4 4 TYR HD2 H . . . . . 4.0 -1.2 8.0 . . . . . A . 12 LYS HB2 . . A . 4 TYR HD2 . . . 12 . HB# . . . . . 4 . HD# . . rr_1i6f 1 78 4 OR . 1 1 4 4 TYR HD2 H . . . 1 1 12 12 LYS HB3 H . . . . . 4.0 -1.2 8.0 . . . . . A . 4 TYR HD2 . . A . 12 LYS HB3 . . . 4 . HD# . . . . . 12 . HB# . . rr_1i6f 1 79 1 OR . 1 1 12 12 LYS HG3 H . . . 1 1 4 4 TYR HD1 H . . . . . 4.0 -1.2 8.0 . . . . . A . 12 LYS HG3 . . A . 4 TYR HD1 . . . 12 . HG# . . . . . 4 . HD# . . rr_1i6f 1 79 2 OR . 1 1 4 4 TYR HD1 H . . . 1 1 12 12 LYS HG2 H . . . . . 4.0 -1.2 8.0 . . . . . A . 4 TYR HD1 . . A . 12 LYS HG2 . . . 4 . HD# . . . . . 12 . HG# . . rr_1i6f 1 79 3 OR . 1 1 12 12 LYS HG3 H . . . 1 1 4 4 TYR HD2 H . . . . . 4.0 -1.2 8.0 . . . . . A . 12 LYS HG3 . . A . 4 TYR HD2 . . . 12 . HG# . . . . . 4 . HD# . . rr_1i6f 1 79 4 OR . 1 1 4 4 TYR HD2 H . . . 1 1 12 12 LYS HG2 H . . . . . 4.0 -1.2 8.0 . . . . . A . 4 TYR HD2 . . A . 12 LYS HG2 . . . 4 . HD# . . . . . 12 . HG# . . rr_1i6f 1 80 1 OR . 1 1 4 4 TYR HD1 H . . . 1 1 12 12 LYS HE3 H . . . . . 4.0 0.8 7.0 . . . . . A . 4 TYR HD1 . . A . 12 LYS HE3 . . . 4 . HD# . . . . . 12 . HE1 . . rr_1i6f 1 80 2 OR . 1 1 4 4 TYR HD2 H . . . 1 1 12 12 LYS HE3 H . . . . . 4.0 0.8 7.0 . . . . . A . 4 TYR HD2 . . A . 12 LYS HE3 . . . 4 . HD# . . . . . 12 . HE1 . . rr_1i6f 1 81 1 OR . 1 1 12 12 LYS HE2 H . . . 1 1 4 4 TYR HD1 H . . . . . 4.0 0.8 7.0 . . . . . A . 12 LYS HE2 . . A . 4 TYR HD1 . . . 12 . HE2 . . . . . 4 . HD# . . rr_1i6f 1 81 2 OR . 1 1 12 12 LYS HE2 H . . . 1 1 4 4 TYR HD2 H . . . . . 4.0 0.8 7.0 . . . . . A . 12 LYS HE2 . . A . 4 TYR HD2 . . . 12 . HE2 . . . . . 4 . HD# . . rr_1i6f 1 82 1 OR . 1 1 12 12 LYS HE2 H . . . 1 1 4 4 TYR HD1 H . . . . . 4.0 -0.2 8.0 . . . . . A . 12 LYS HE2 . . A . 4 TYR HD1 . . . 12 . HE# . . . . . 4 . HD# . . rr_1i6f 1 82 2 OR . 1 1 4 4 TYR HD2 H . . . 1 1 12 12 LYS HE3 H . . . . . 4.0 -0.2 8.0 . . . . . A . 4 TYR HD2 . . A . 12 LYS HE3 . . . 4 . HD# . . . . . 12 . HE# . . rr_1i6f 1 82 3 OR . 1 1 12 12 LYS HE2 H . . . 1 1 4 4 TYR HD2 H . . . . . 4.0 -0.2 8.0 . . . . . A . 12 LYS HE2 . . A . 4 TYR HD2 . . . 12 . HE# . . . . . 4 . HD# . . rr_1i6f 1 82 4 OR . 1 1 4 4 TYR HD1 H . . . 1 1 12 12 LYS HE3 H . . . . . 4.0 -0.2 8.0 . . . . . A . 4 TYR HD1 . . A . 12 LYS HE3 . . . 4 . HD# . . . . . 12 . HE# . . rr_1i6f 1 83 1 . . 1 1 4 4 TYR QE H . . . 1 1 36 36 TYR H H . . . . . 4.0 -0.2 7.0 . . . . . A . 4 TYR QE . . A . 36 TYR H . . . 4 . HE# . . . . . 36 . HN . . rr_1i6f 1 84 1 . . 1 1 4 4 TYR QE H . . . 1 1 36 36 TYR HB2 H . . . . . 4.0 -0.2 7.0 . . . . . A . 4 TYR QE . . A . 36 TYR HB2 . . . 4 . HE# . . . . . 36 . HB2 . . rr_1i6f 1 85 1 . . 1 1 4 4 TYR QE H . . . 1 1 36 36 TYR HB3 H . . . . . 4.0 -0.2 7.0 . . . . . A . 4 TYR QE . . A . 36 TYR HB3 . . . 4 . HE# . . . . . 36 . HB1 . . rr_1i6f 1 86 1 OR . 1 1 39 39 SER HB2 H . . . 1 1 4 4 TYR HD1 H . . . . . 3.0 -0.2 5.3 . . . . . A . 39 SER HB2 . . A . 4 TYR HD1 . . . 39 . HB2 . . . . . 4 . HD# . . rr_1i6f 1 86 2 OR . 1 1 39 39 SER HB2 H . . . 1 1 4 4 TYR HD2 H . . . . . 3.0 -0.2 5.3 . . . . . A . 39 SER HB2 . . A . 4 TYR HD2 . . . 39 . HB2 . . . . . 4 . HD# . . rr_1i6f 1 87 1 OR . 1 1 39 39 SER HB3 H . . . 1 1 4 4 TYR HD1 H . . . . . 3.0 -0.2 5.3 . . . . . A . 39 SER HB3 . . A . 4 TYR HD1 . . . 39 . HB1 . . . . . 4 . HD# . . rr_1i6f 1 87 2 OR . 1 1 39 39 SER HB3 H . . . 1 1 4 4 TYR HD2 H . . . . . 3.0 -0.2 5.3 . . . . . A . 39 SER HB3 . . A . 4 TYR HD2 . . . 39 . HB1 . . . . . 4 . HD# . . rr_1i6f 1 88 1 OR . 1 1 39 39 SER H H . . . 1 1 4 4 TYR HD1 H . . . . . 4.0 -0.2 7.0 . . . . . A . 39 SER H . . A . 4 TYR HD1 . . . 39 . HN . . . . . 4 . HD# . . rr_1i6f 1 88 2 OR . 1 1 39 39 SER H H . . . 1 1 4 4 TYR HD2 H . . . . . 4.0 -0.2 7.0 . . . . . A . 39 SER H . . A . 4 TYR HD2 . . . 39 . HN . . . . . 4 . HD# . . rr_1i6f 1 89 1 OR . 1 1 39 39 SER HA H . . . 1 1 4 4 TYR HD1 H . . . . . 4.0 -0.2 7.0 . . . . . A . 39 SER HA . . A . 4 TYR HD1 . . . 39 . HA . . . . . 4 . HD# . . rr_1i6f 1 89 2 OR . 1 1 39 39 SER HA H . . . 1 1 4 4 TYR HD2 H . . . . . 4.0 -0.2 7.0 . . . . . A . 39 SER HA . . A . 4 TYR HD2 . . . 39 . HA . . . . . 4 . HD# . . rr_1i6f 1 90 1 . . 1 1 4 4 TYR QE H . . . 1 1 39 39 SER HB2 H . . . . . 3.0 -0.2 5.3 . . . . . A . 4 TYR QE . . A . 39 SER HB2 . . . 4 . HE# . . . . . 39 . HB2 . . rr_1i6f 1 91 1 . . 1 1 4 4 TYR QE H . . . 1 1 39 39 SER HB3 H . . . . . 4.0 -0.2 7.0 . . . . . A . 4 TYR QE . . A . 39 SER HB3 . . . 4 . HE# . . . . . 39 . HB1 . . rr_1i6f 1 92 1 . . 1 1 4 4 TYR QE H . . . 1 1 39 39 SER H H . . . . . 4.0 -0.2 7.0 . . . . . A . 4 TYR QE . . A . 39 SER H . . . 4 . HE# . . . . . 39 . HN . . rr_1i6f 1 93 1 . . 1 1 4 4 TYR HA H . . . 1 1 41 41 TYR HA H . . . . . 2.5 1.8 2.7 . . . . . A . 4 TYR HA . . A . 41 TYR HA . . . 4 . HA . . . . . 41 . HA . . rr_1i6f 1 94 1 . . 1 1 4 4 TYR HA H . . . 1 1 41 41 TYR HE2 H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TYR HA . . A . 41 TYR HE2 . . . 4 . HA . . . . . 41 . HE2 . . rr_1i6f 1 95 1 . . 1 1 4 4 TYR HA H . . . 1 1 41 41 TYR HD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TYR HA . . A . 41 TYR HD2 . . . 4 . HA . . . . . 41 . HD2 . . rr_1i6f 1 96 1 . . 1 1 4 4 TYR H H . . . 1 1 41 41 TYR HD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TYR H . . A . 41 TYR HD2 . . . 4 . HN . . . . . 41 . HD2 . . rr_1i6f 1 97 1 . . 1 1 4 4 TYR H H . . . 1 1 41 41 TYR HE2 H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TYR H . . A . 41 TYR HE2 . . . 4 . HN . . . . . 41 . HE2 . . rr_1i6f 1 98 1 OR . 1 1 41 41 TYR H H . . . 1 1 4 4 TYR HD1 H . . . . . 4.0 -0.2 7.0 . . . . . A . 41 TYR H . . A . 4 TYR HD1 . . . 41 . HN . . . . . 4 . HD# . . rr_1i6f 1 98 2 OR . 1 1 41 41 TYR H H . . . 1 1 4 4 TYR HD2 H . . . . . 4.0 -0.2 7.0 . . . . . A . 41 TYR H . . A . 4 TYR HD2 . . . 41 . HN . . . . . 4 . HD# . . rr_1i6f 1 99 1 . . 1 1 4 4 TYR QE H . . . 1 1 41 41 TYR H H . . . . . 4.0 -0.2 7.0 . . . . . A . 4 TYR QE . . A . 41 TYR H . . . 4 . HE# . . . . . 41 . HN . . rr_1i6f 1 100 1 . . 1 1 4 4 TYR QE H . . . 1 1 41 41 TYR HD2 H . . . . . 3.0 -0.2 5.3 . . . . . A . 4 TYR QE . . A . 41 TYR HD2 . . . 4 . HE# . . . . . 41 . HD2 . . rr_1i6f 1 101 1 OR . 1 1 41 41 TYR HD2 H . . . 1 1 4 4 TYR HD1 H . . . . . 3.0 -0.2 5.3 . . . . . A . 41 TYR HD2 . . A . 4 TYR HD1 . . . 41 . HD2 . . . . . 4 . HD# . . rr_1i6f 1 101 2 OR . 1 1 41 41 TYR HD2 H . . . 1 1 4 4 TYR HD2 H . . . . . 3.0 -0.2 5.3 . . . . . A . 41 TYR HD2 . . A . 4 TYR HD2 . . . 41 . HD2 . . . . . 4 . HD# . . rr_1i6f 1 102 1 OR . 1 1 41 41 TYR HE2 H . . . 1 1 4 4 TYR HD1 H . . . . . 4.0 -0.2 7.0 . . . . . A . 41 TYR HE2 . . A . 4 TYR HD1 . . . 41 . HE2 . . . . . 4 . HD# . . rr_1i6f 1 102 2 OR . 1 1 41 41 TYR HE2 H . . . 1 1 4 4 TYR HD2 H . . . . . 4.0 -0.2 7.0 . . . . . A . 41 TYR HE2 . . A . 4 TYR HD2 . . . 41 . HE2 . . . . . 4 . HD# . . rr_1i6f 1 103 1 . . 1 1 4 4 TYR QE H . . . 1 1 41 41 TYR HE2 H . . . . . 4.0 -0.2 7.0 . . . . . A . 4 TYR QE . . A . 41 TYR HE2 . . . 4 . HE# . . . . . 41 . HE2 . . rr_1i6f 1 104 1 OR . 1 1 41 41 TYR HA H . . . 1 1 4 4 TYR HD1 H . . . . . 4.0 -0.2 7.0 . . . . . A . 41 TYR HA . . A . 4 TYR HD1 . . . 41 . HA . . . . . 4 . HD# . . rr_1i6f 1 104 2 OR . 1 1 41 41 TYR HA H . . . 1 1 4 4 TYR HD2 H . . . . . 4.0 -0.2 7.0 . . . . . A . 41 TYR HA . . A . 4 TYR HD2 . . . 41 . HA . . . . . 4 . HD# . . rr_1i6f 1 105 1 OR . 1 1 4 4 TYR QE H . . . 1 1 41 41 TYR HB3 H . . . . . 4.0 -2.2 9.0 . . . . . A . 4 TYR QE . . A . 41 TYR HB3 . . . 4 . HE# . . . . . 41 . HB# . . rr_1i6f 1 105 2 OR . 1 1 4 4 TYR QE H . . . 1 1 41 41 TYR HB2 H . . . . . 4.0 -2.2 9.0 . . . . . A . 4 TYR QE . . A . 41 TYR HB2 . . . 4 . HE# . . . . . 41 . HB# . . rr_1i6f 1 106 1 . . 1 1 42 42 CYS H H . . . 1 1 4 4 TYR HA H . . . . . 4.0 1.8 5.0 . . . . . A . 42 CYS H . . A . 4 TYR HA . . . 42 . HN . . . . . 4 . HA . . rr_1i6f 1 107 1 . . 1 1 4 4 TYR H H . . . 1 1 51 51 VAL HA H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TYR H . . A . 51 VAL HA . . . 4 . HN . . . . . 51 . HA . . rr_1i6f 1 108 1 . . 1 1 4 4 TYR H H . . . 1 1 51 51 VAL HB H . . . . . 3.0 1.8 3.3 . . . . . A . 4 TYR H . . A . 51 VAL HB . . . 4 . HN . . . . . 51 . HB . . rr_1i6f 1 109 1 . . 1 1 51 51 VAL MG2 H . . . 1 1 4 4 TYR H H . . . . . 4.0 0.7 6.1 . . . . . A . 51 VAL MG2 . . A . 4 TYR H . . . 51 . HG2# . . . . . 4 . HN . . rr_1i6f 1 110 1 . . 1 1 51 51 VAL MG1 H . . . 1 1 4 4 TYR H H . . . . . 3.0 0.7 4.4 . . . . . A . 51 VAL MG1 . . A . 4 TYR H . . . 51 . HG1# . . . . . 4 . HN . . rr_1i6f 1 111 1 . . 1 1 4 4 TYR H H . . . 1 1 52 52 SER HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TYR H . . A . 52 SER HB3 . . . 4 . HN . . . . . 52 . HB1 . . rr_1i6f 1 112 1 . . 1 1 4 4 TYR HD2 H . . . 1 1 52 52 SER H H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TYR HD2 . . A . 52 SER H . . . 4 . HD2 . . . . . 52 . HN . . rr_1i6f 1 113 1 . . 1 1 4 4 TYR HB3 H . . . 1 1 52 52 SER H H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TYR HB3 . . A . 52 SER H . . . 4 . HB1 . . . . . 52 . HN . . rr_1i6f 1 114 1 . . 1 1 4 4 TYR HB2 H . . . 1 1 52 52 SER H H . . . . . 3.0 1.8 3.3 . . . . . A . 4 TYR HB2 . . A . 52 SER H . . . 4 . HB2 . . . . . 52 . HN . . rr_1i6f 1 115 1 . . 1 1 4 4 TYR HB3 H . . . 1 1 52 52 SER HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TYR HB3 . . A . 52 SER HB3 . . . 4 . HB1 . . . . . 52 . HB1 . . rr_1i6f 1 116 1 . . 1 1 4 4 TYR HB2 H . . . 1 1 52 52 SER HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 4 TYR HB2 . . A . 52 SER HB3 . . . 4 . HB2 . . . . . 52 . HB1 . . rr_1i6f 1 117 1 . . 1 1 4 4 TYR HB2 H . . . 1 1 52 52 SER HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TYR HB2 . . A . 52 SER HB2 . . . 4 . HB2 . . . . . 52 . HB2 . . rr_1i6f 1 118 1 . . 1 1 4 4 TYR H H . . . 1 1 52 52 SER H H . . . . . 3.0 1.8 3.3 . . . . . A . 4 TYR H . . A . 52 SER H . . . 4 . HN . . . . . 52 . HN . . rr_1i6f 1 119 1 . . 1 1 52 52 SER HB3 H . . . 1 1 4 4 TYR HD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 52 SER HB3 . . A . 4 TYR HD2 . . . 52 . HB1 . . . . . 4 . HD2 . . rr_1i6f 1 120 1 . . 1 1 4 4 TYR HD2 H . . . 1 1 53 53 ASP HA H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TYR HD2 . . A . 53 ASP HA . . . 4 . HD2 . . . . . 53 . HA . . rr_1i6f 1 121 1 . . 1 1 4 4 TYR HD2 H . . . 1 1 54 54 SER H H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TYR HD2 . . A . 54 SER H . . . 4 . HD2 . . . . . 54 . HN . . rr_1i6f 1 122 1 . . 1 1 4 4 TYR QE H . . . 1 1 55 55 ALA MB H . . . . . 4.0 0.7 6.1 . . . . . A . 4 TYR QE . . A . 55 ALA MB . . . 4 . HE# . . . . . 55 . HB# . . rr_1i6f 1 123 1 . . 1 1 5 5 PRO HA H . . . 1 1 5 5 PRO HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 5 PRO HA . . A . 5 PRO HB3 . . . 5 . HA . . . . . 5 . HB1 . . rr_1i6f 1 124 1 . . 1 1 5 5 PRO HA H . . . 1 1 5 5 PRO HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 5 PRO HA . . A . 5 PRO HB2 . . . 5 . HA . . . . . 5 . HB2 . . rr_1i6f 1 125 1 OR . 1 1 5 5 PRO HG3 H . . . 1 1 5 5 PRO HD3 H . . . . . 3.0 0.8 4.3 . . . . . A . 5 PRO HG3 . . A . 5 PRO HD3 . . . 5 . HG# . . . . . 5 . HD1 . . rr_1i6f 1 125 2 OR . 1 1 5 5 PRO HD3 H . . . 1 1 5 5 PRO HG2 H . . . . . 3.0 0.8 4.3 . . . . . A . 5 PRO HD3 . . A . 5 PRO HG2 . . . 5 . HD1 . . . . . 5 . HG# . . rr_1i6f 1 126 1 OR . 1 1 5 5 PRO HD2 H . . . 1 1 5 5 PRO HG3 H . . . . . 3.0 0.8 4.3 . . . . . A . 5 PRO HD2 . . A . 5 PRO HG3 . . . 5 . HD2 . . . . . 5 . HG# . . rr_1i6f 1 126 2 OR . 1 1 5 5 PRO HD2 H . . . 1 1 5 5 PRO HG2 H . . . . . 3.0 0.8 4.3 . . . . . A . 5 PRO HD2 . . A . 5 PRO HG2 . . . 5 . HD2 . . . . . 5 . HG# . . rr_1i6f 1 127 1 . . 1 1 5 5 PRO HA H . . . 1 1 6 6 VAL H H . . . . . 2.5 1.8 2.7 . . . . . A . 5 PRO HA . . A . 6 VAL H . . . 5 . HA . . . . . 6 . HN . . rr_1i6f 1 128 1 . . 1 1 5 5 PRO HB3 H . . . 1 1 6 6 VAL H H . . . . . 4.0 1.8 5.0 . . . . . A . 5 PRO HB3 . . A . 6 VAL H . . . 5 . HB1 . . . . . 6 . HN . . rr_1i6f 1 129 1 . . 1 1 5 5 PRO HB2 H . . . 1 1 6 6 VAL H H . . . . . 3.0 1.8 3.3 . . . . . A . 5 PRO HB2 . . A . 6 VAL H . . . 5 . HB2 . . . . . 6 . HN . . rr_1i6f 1 130 1 . . 1 1 5 5 PRO HB2 H . . . 1 1 13 13 LEU MD2 H . . . . . 4.0 0.7 6.1 . . . . . A . 5 PRO HB2 . . A . 13 LEU MD2 . . . 5 . HB2 . . . . . 13 . HD2# . . rr_1i6f 1 131 1 OR . 1 1 5 5 PRO HB3 H . . . 1 1 28 28 LYS HE2 H . . . . . 4.0 0.8 6.0 . . . . . A . 5 PRO HB3 . . A . 28 LYS HE2 . . . 5 . HB1 . . . . . 28 . HE# . . rr_1i6f 1 131 2 OR . 1 1 5 5 PRO HB3 H . . . 1 1 28 28 LYS HE3 H . . . . . 4.0 0.8 6.0 . . . . . A . 5 PRO HB3 . . A . 28 LYS HE3 . . . 5 . HB1 . . . . . 28 . HE# . . rr_1i6f 1 132 1 OR . 1 1 5 5 PRO HB2 H . . . 1 1 28 28 LYS HE2 H . . . . . 4.0 0.8 6.0 . . . . . A . 5 PRO HB2 . . A . 28 LYS HE2 . . . 5 . HB2 . . . . . 28 . HE# . . rr_1i6f 1 132 2 OR . 1 1 5 5 PRO HB2 H . . . 1 1 28 28 LYS HE3 H . . . . . 4.0 0.8 6.0 . . . . . A . 5 PRO HB2 . . A . 28 LYS HE3 . . . 5 . HB2 . . . . . 28 . HE# . . rr_1i6f 1 133 1 OR . 1 1 5 5 PRO HG3 H . . . 1 1 28 28 LYS HE2 H . . . . . 4.0 -0.2 7.0 . . . . . A . 5 PRO HG3 . . A . 28 LYS HE2 . . . 5 . HG# . . . . . 28 . HE# . . rr_1i6f 1 133 2 OR . 1 1 5 5 PRO HG2 H . . . 1 1 28 28 LYS HE2 H . . . . . 4.0 -0.2 7.0 . . . . . A . 5 PRO HG2 . . A . 28 LYS HE2 . . . 5 . HG# . . . . . 28 . HE# . . rr_1i6f 1 133 3 OR . 1 1 28 28 LYS HE3 H . . . 1 1 5 5 PRO HG2 H . . . . . 4.0 -0.2 7.0 . . . . . A . 28 LYS HE3 . . A . 5 PRO HG2 . . . 28 . HE# . . . . . 5 . HG# . . rr_1i6f 1 133 4 OR . 1 1 5 5 PRO HG3 H . . . 1 1 28 28 LYS HE3 H . . . . . 4.0 -0.2 7.0 . . . . . A . 5 PRO HG3 . . A . 28 LYS HE3 . . . 5 . HG# . . . . . 28 . HE# . . rr_1i6f 1 134 1 . . 1 1 41 41 TYR HA H . . . 1 1 5 5 PRO HD3 H . . . . . 4.0 1.8 5.0 . . . . . A . 41 TYR HA . . A . 5 PRO HD3 . . . 41 . HA . . . . . 5 . HD1 . . rr_1i6f 1 135 1 . . 1 1 5 5 PRO HD2 H . . . 1 1 41 41 TYR HA H . . . . . 4.0 1.8 5.0 . . . . . A . 5 PRO HD2 . . A . 41 TYR HA . . . 5 . HD2 . . . . . 41 . HA . . rr_1i6f 1 136 1 . . 1 1 42 42 CYS H H . . . 1 1 5 5 PRO HD3 H . . . . . 4.0 1.8 5.0 . . . . . A . 42 CYS H . . A . 5 PRO HD3 . . . 42 . HN . . . . . 5 . HD1 . . rr_1i6f 1 137 1 . . 1 1 42 42 CYS H H . . . 1 1 5 5 PRO HD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 42 CYS H . . A . 5 PRO HD2 . . . 42 . HN . . . . . 5 . HD2 . . rr_1i6f 1 138 1 . . 1 1 5 5 PRO HB3 H . . . 1 1 45 45 LEU MD1 H . . . . . 4.0 0.7 6.1 . . . . . A . 5 PRO HB3 . . A . 45 LEU MD1 . . . 5 . HB1 . . . . . 45 . HD1# . . rr_1i6f 1 139 1 . . 1 1 5 5 PRO HB3 H . . . 1 1 45 45 LEU MD2 H . . . . . 4.0 0.7 6.1 . . . . . A . 5 PRO HB3 . . A . 45 LEU MD2 . . . 5 . HB1 . . . . . 45 . HD2# . . rr_1i6f 1 140 1 . . 1 1 51 51 VAL MG2 H . . . 1 1 5 5 PRO HA H . . . . . 4.0 0.7 6.1 . . . . . A . 51 VAL MG2 . . A . 5 PRO HA . . . 51 . HG2# . . . . . 5 . HA . . rr_1i6f 1 141 1 . . 1 1 51 51 VAL MG1 H . . . 1 1 5 5 PRO HA H . . . . . 3.0 0.7 4.4 . . . . . A . 51 VAL MG1 . . A . 5 PRO HA . . . 51 . HG1# . . . . . 5 . HA . . rr_1i6f 1 142 1 . . 1 1 52 52 SER H H . . . 1 1 5 5 PRO HA H . . . . . 4.0 1.8 5.0 . . . . . A . 52 SER H . . A . 5 PRO HA . . . 52 . HN . . . . . 5 . HA . . rr_1i6f 1 143 1 . . 1 1 6 6 VAL H H . . . 1 1 6 6 VAL HA H . . . . . 4.0 1.8 5.0 . . . . . A . 6 VAL H . . A . 6 VAL HA . . . 6 . HN . . . . . 6 . HA . . rr_1i6f 1 144 1 . . 1 1 6 6 VAL H H . . . 1 1 6 6 VAL HB H . . . . . 4.0 1.8 5.0 . . . . . A . 6 VAL H . . A . 6 VAL HB . . . 6 . HN . . . . . 6 . HB . . rr_1i6f 1 145 1 . . 1 1 6 6 VAL H H . . . 1 1 6 6 VAL MG2 H . . . . . 2.5 1.1 3.4 . . . . . A . 6 VAL H . . A . 6 VAL MG2 . . . 6 . HN . . . . . 6 . HG2# . . rr_1i6f 1 146 1 . . 1 1 6 6 VAL H H . . . 1 1 6 6 VAL MG1 H . . . . . 4.0 0.7 6.1 . . . . . A . 6 VAL H . . A . 6 VAL MG1 . . . 6 . HN . . . . . 6 . HG1# . . rr_1i6f 1 147 1 . . 1 1 6 6 VAL HA H . . . 1 1 6 6 VAL HB H . . . . . 2.5 1.8 2.7 . . . . . A . 6 VAL HA . . A . 6 VAL HB . . . 6 . HA . . . . . 6 . HB . . rr_1i6f 1 148 1 . . 1 1 6 6 VAL HA H . . . 1 1 6 6 VAL MG2 H . . . . . 4.0 0.7 6.1 . . . . . A . 6 VAL HA . . A . 6 VAL MG2 . . . 6 . HA . . . . . 6 . HG2# . . rr_1i6f 1 149 1 . . 1 1 6 6 VAL HA H . . . 1 1 6 6 VAL MG1 H . . . . . 2.5 1.1 3.4 . . . . . A . 6 VAL HA . . A . 6 VAL MG1 . . . 6 . HA . . . . . 6 . HG1# . . rr_1i6f 1 150 1 . . 1 1 6 6 VAL H H . . . 1 1 7 7 ASP H H . . . . . 4.0 1.8 5.0 . . . . . A . 6 VAL H . . A . 7 ASP H . . . 6 . HN . . . . . 7 . HN . . rr_1i6f 1 151 1 . . 1 1 6 6 VAL HA H . . . 1 1 7 7 ASP H H . . . . . 2.3 1.8 2.5 . . . . . A . 6 VAL HA . . A . 7 ASP H . . . 6 . HA . . . . . 7 . HN . . rr_1i6f 1 152 1 . . 1 1 6 6 VAL HB H . . . 1 1 7 7 ASP H H . . . . . 2.3 1.8 2.5 . . . . . A . 6 VAL HB . . A . 7 ASP H . . . 6 . HB . . . . . 7 . HN . . rr_1i6f 1 153 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 7 7 ASP H H . . . . . 3.0 0.9 4.4 . . . . . A . 6 VAL MG1 . . A . 7 ASP H . . . 6 . HG1# . . . . . 7 . HN . . rr_1i6f 1 154 1 . . 1 1 6 6 VAL MG2 H . . . 1 1 7 7 ASP H H . . . . . 3.0 0.9 4.4 . . . . . A . 6 VAL MG2 . . A . 7 ASP H . . . 6 . HG2# . . . . . 7 . HN . . rr_1i6f 1 155 1 . . 1 1 6 6 VAL HA H . . . 1 1 10 10 GLY H H . . . . . 4.0 1.8 5.0 . . . . . A . 6 VAL HA . . A . 10 GLY H . . . 6 . HA . . . . . 10 . HN . . rr_1i6f 1 156 1 . . 1 1 6 6 VAL HB H . . . 1 1 10 10 GLY H H . . . . . 4.0 1.8 5.0 . . . . . A . 6 VAL HB . . A . 10 GLY H . . . 6 . HB . . . . . 10 . HN . . rr_1i6f 1 157 1 . . 1 1 6 6 VAL HB H . . . 1 1 10 10 GLY HA3 H . . . . . 4.0 1.8 5.0 . . . . . A . 6 VAL HB . . A . 10 GLY HA3 . . . 6 . HB . . . . . 10 . HA1 . . rr_1i6f 1 158 1 . . 1 1 6 6 VAL HB H . . . 1 1 10 10 GLY HA2 H . . . . . 4.0 1.8 5.0 . . . . . A . 6 VAL HB . . A . 10 GLY HA2 . . . 6 . HB . . . . . 10 . HA2 . . rr_1i6f 1 159 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 10 10 GLY H H . . . . . 4.0 0.7 6.1 . . . . . A . 6 VAL MG1 . . A . 10 GLY H . . . 6 . HG1# . . . . . 10 . HN . . rr_1i6f 1 160 1 . . 1 1 6 6 VAL MG2 H . . . 1 1 10 10 GLY H H . . . . . 4.0 0.7 6.1 . . . . . A . 6 VAL MG2 . . A . 10 GLY H . . . 6 . HG2# . . . . . 10 . HN . . rr_1i6f 1 161 1 . . 1 1 6 6 VAL MG2 H . . . 1 1 10 10 GLY HA3 H . . . . . 4.0 0.7 6.1 . . . . . A . 6 VAL MG2 . . A . 10 GLY HA3 . . . 6 . HG2# . . . . . 10 . HA1 . . rr_1i6f 1 162 1 . . 1 1 6 6 VAL MG2 H . . . 1 1 10 10 GLY HA2 H . . . . . 4.0 0.7 6.1 . . . . . A . 6 VAL MG2 . . A . 10 GLY HA2 . . . 6 . HG2# . . . . . 10 . HA2 . . rr_1i6f 1 163 1 . . 1 1 6 6 VAL HA H . . . 1 1 11 11 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 6 VAL HA . . A . 11 CYS H . . . 6 . HA . . . . . 11 . HN . . rr_1i6f 1 164 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 11 11 CYS H H . . . . . 4.0 0.7 6.1 . . . . . A . 6 VAL MG1 . . A . 11 CYS H . . . 6 . HG1# . . . . . 11 . HN . . rr_1i6f 1 165 1 . . 1 1 6 6 VAL MG2 H . . . 1 1 11 11 CYS H H . . . . . 4.0 0.7 6.1 . . . . . A . 6 VAL MG2 . . A . 11 CYS H . . . 6 . HG2# . . . . . 11 . HN . . rr_1i6f 1 166 1 . . 1 1 6 6 VAL HA H . . . 1 1 12 12 LYS HA H . . . . . 3.0 1.8 3.3 . . . . . A . 6 VAL HA . . A . 12 LYS HA . . . 6 . HA . . . . . 12 . HA . . rr_1i6f 1 167 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 12 12 LYS HA H . . . . . 3.0 0.9 4.4 . . . . . A . 6 VAL MG1 . . A . 12 LYS HA . . . 6 . HG1# . . . . . 12 . HA . . rr_1i6f 1 168 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 12 12 LYS H H . . . . . 4.0 0.7 6.1 . . . . . A . 6 VAL MG1 . . A . 12 LYS H . . . 6 . HG1# . . . . . 12 . HN . . rr_1i6f 1 169 1 OR . 1 1 6 6 VAL MG1 H . . . 1 1 12 12 LYS HG2 H . . . . . 4.0 -0.3 7.1 . . . . . A . 6 VAL MG1 . . A . 12 LYS HG2 . . . 6 . HG1# . . . . . 12 . HG# . . rr_1i6f 1 169 2 OR . 1 1 12 12 LYS HG3 H . . . 1 1 6 6 VAL MG1 H . . . . . 4.0 -0.3 7.1 . . . . . A . 12 LYS HG3 . . A . 6 VAL MG1 . . . 12 . HG# . . . . . 6 . HG1# . . rr_1i6f 1 170 1 OR . 1 1 6 6 VAL MG1 H . . . 1 1 12 12 LYS HD2 H . . . . . 4.0 -0.3 7.1 . . . . . A . 6 VAL MG1 . . A . 12 LYS HD2 . . . 6 . HG1# . . . . . 12 . HD# . . rr_1i6f 1 170 2 OR . 1 1 6 6 VAL MG1 H . . . 1 1 12 12 LYS HD3 H . . . . . 4.0 -0.3 7.1 . . . . . A . 6 VAL MG1 . . A . 12 LYS HD3 . . . 6 . HG1# . . . . . 12 . HD# . . rr_1i6f 1 171 1 . . 1 1 6 6 VAL HA H . . . 1 1 13 13 LEU H H . . . . . 4.0 0.8 6.0 . . . . . A . 6 VAL HA . . A . 13 LEU H . . . 6 . HA . . . . . 13 . HN . . rr_1i6f 1 172 1 OR . 1 1 6 6 VAL MG2 H . . . 1 1 50 50 LYS HB3 H . . . . . 4.0 -0.3 7.1 . . . . . A . 6 VAL MG2 . . A . 50 LYS HB3 . . . 6 . HG2# . . . . . 50 . HB# . . rr_1i6f 1 172 2 OR . 1 1 6 6 VAL MG2 H . . . 1 1 50 50 LYS HB2 H . . . . . 4.0 -0.3 7.1 . . . . . A . 6 VAL MG2 . . A . 50 LYS HB2 . . . 6 . HG2# . . . . . 50 . HB# . . rr_1i6f 1 173 1 . . 1 1 6 6 VAL MG2 H . . . 1 1 50 50 LYS HG3 H . . . . . 4.0 0.7 6.1 . . . . . A . 6 VAL MG2 . . A . 50 LYS HG3 . . . 6 . HG2# . . . . . 50 . HG1 . . rr_1i6f 1 174 1 . . 1 1 6 6 VAL MG2 H . . . 1 1 50 50 LYS HG2 H . . . . . 4.0 0.7 6.1 . . . . . A . 6 VAL MG2 . . A . 50 LYS HG2 . . . 6 . HG2# . . . . . 50 . HG2 . . rr_1i6f 1 175 1 OR . 1 1 6 6 VAL MG2 H . . . 1 1 50 50 LYS HD2 H . . . . . 4.0 -0.3 7.1 . . . . . A . 6 VAL MG2 . . A . 50 LYS HD2 . . . 6 . HG2# . . . . . 50 . HD# . . rr_1i6f 1 175 2 OR . 1 1 6 6 VAL MG2 H . . . 1 1 50 50 LYS HD3 H . . . . . 4.0 -0.3 7.1 . . . . . A . 6 VAL MG2 . . A . 50 LYS HD3 . . . 6 . HG2# . . . . . 50 . HD# . . rr_1i6f 1 176 1 . . 1 1 51 51 VAL HA H . . . 1 1 6 6 VAL H H . . . . . 3.0 1.8 3.3 . . . . . A . 51 VAL HA . . A . 6 VAL H . . . 51 . HA . . . . . 6 . HN . . rr_1i6f 1 177 1 . . 1 1 51 51 VAL MG1 H . . . 1 1 6 6 VAL H H . . . . . 3.0 0.9 4.4 . . . . . A . 51 VAL MG1 . . A . 6 VAL H . . . 51 . HG1# . . . . . 6 . HN . . rr_1i6f 1 178 1 . . 1 1 51 51 VAL HA H . . . 1 1 6 6 VAL MG2 H . . . . . 3.0 0.9 4.4 . . . . . A . 51 VAL HA . . A . 6 VAL MG2 . . . 51 . HA . . . . . 6 . HG2# . . rr_1i6f 1 179 1 . . 1 1 51 51 VAL HA H . . . 1 1 6 6 VAL MG1 H . . . . . 3.0 0.9 4.4 . . . . . A . 51 VAL HA . . A . 6 VAL MG1 . . . 51 . HA . . . . . 6 . HG1# . . rr_1i6f 1 180 1 . . 1 1 52 52 SER H H . . . 1 1 6 6 VAL H H . . . . . 4.0 1.8 5.0 . . . . . A . 52 SER H . . A . 6 VAL H . . . 52 . HN . . . . . 6 . HN . . rr_1i6f 1 181 1 . . 1 1 52 52 SER H H . . . 1 1 6 6 VAL MG2 H . . . . . 4.0 0.7 6.1 . . . . . A . 52 SER H . . A . 6 VAL MG2 . . . 52 . HN . . . . . 6 . HG2# . . rr_1i6f 1 182 1 . . 1 1 52 52 SER H H . . . 1 1 6 6 VAL MG1 H . . . . . 3.0 0.9 4.4 . . . . . A . 52 SER H . . A . 6 VAL MG1 . . . 52 . HN . . . . . 6 . HG1# . . rr_1i6f 1 183 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 52 52 SER HA H . . . . . 3.0 0.9 4.4 . . . . . A . 6 VAL MG1 . . A . 52 SER HA . . . 6 . HG1# . . . . . 52 . HA . . rr_1i6f 1 184 1 . . 1 1 52 52 SER HB3 H . . . 1 1 6 6 VAL MG1 H . . . . . 3.0 0.9 4.4 . . . . . A . 52 SER HB3 . . A . 6 VAL MG1 . . . 52 . HB1 . . . . . 6 . HG1# . . rr_1i6f 1 185 1 . . 1 1 52 52 SER HB2 H . . . 1 1 6 6 VAL MG1 H . . . . . 3.0 0.9 4.4 . . . . . A . 52 SER HB2 . . A . 6 VAL MG1 . . . 52 . HB2 . . . . . 6 . HG1# . . rr_1i6f 1 186 1 . . 1 1 7 7 ASP H H . . . 1 1 7 7 ASP HA H . . . . . 4.0 1.8 5.0 . . . . . A . 7 ASP H . . A . 7 ASP HA . . . 7 . HN . . . . . 7 . HA . . rr_1i6f 1 187 1 . . 1 1 7 7 ASP H H . . . 1 1 7 7 ASP HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 7 ASP H . . A . 7 ASP HB3 . . . 7 . HN . . . . . 7 . HB1 . . rr_1i6f 1 188 1 . . 1 1 7 7 ASP H H . . . 1 1 7 7 ASP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 7 ASP H . . A . 7 ASP HB2 . . . 7 . HN . . . . . 7 . HB2 . . rr_1i6f 1 189 1 . . 1 1 7 7 ASP HA H . . . 1 1 7 7 ASP HB3 H . . . . . 2.5 1.8 2.7 . . . . . A . 7 ASP HA . . A . 7 ASP HB3 . . . 7 . HA . . . . . 7 . HB1 . . rr_1i6f 1 190 1 . . 1 1 7 7 ASP HA H . . . 1 1 7 7 ASP HB2 H . . . . . 2.5 1.8 2.7 . . . . . A . 7 ASP HA . . A . 7 ASP HB2 . . . 7 . HA . . . . . 7 . HB2 . . rr_1i6f 1 191 1 . . 1 1 7 7 ASP HB3 H . . . 1 1 8 8 SER H H . . . . . 4.0 1.8 5.0 . . . . . A . 7 ASP HB3 . . A . 8 SER H . . . 7 . HB1 . . . . . 8 . HN . . rr_1i6f 1 192 1 . . 1 1 7 7 ASP HB2 H . . . 1 1 8 8 SER H H . . . . . 2.3 1.8 2.5 . . . . . A . 7 ASP HB2 . . A . 8 SER H . . . 7 . HB2 . . . . . 8 . HN . . rr_1i6f 1 193 1 . . 1 1 7 7 ASP HA H . . . 1 1 8 8 SER H H . . . . . 3.0 1.8 3.3 . . . . . A . 7 ASP HA . . A . 8 SER H . . . 7 . HA . . . . . 8 . HN . . rr_1i6f 1 194 1 . . 1 1 7 7 ASP H H . . . 1 1 9 9 LYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 7 ASP H . . A . 9 LYS H . . . 7 . HN . . . . . 9 . HN . . rr_1i6f 1 195 1 . . 1 1 7 7 ASP HA H . . . 1 1 9 9 LYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 7 ASP HA . . A . 9 LYS H . . . 7 . HA . . . . . 9 . HN . . rr_1i6f 1 196 1 . . 1 1 7 7 ASP HB3 H . . . 1 1 9 9 LYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 7 ASP HB3 . . A . 9 LYS H . . . 7 . HB1 . . . . . 9 . HN . . rr_1i6f 1 197 1 . . 1 1 7 7 ASP HB2 H . . . 1 1 9 9 LYS H H . . . . . 3.0 1.8 3.3 . . . . . A . 7 ASP HB2 . . A . 9 LYS H . . . 7 . HB2 . . . . . 9 . HN . . rr_1i6f 1 198 1 . . 1 1 10 10 GLY H H . . . 1 1 7 7 ASP HA H . . . . . 4.0 1.8 5.0 . . . . . A . 10 GLY H . . A . 7 ASP HA . . . 10 . HN . . . . . 7 . HA . . rr_1i6f 1 199 1 . . 1 1 7 7 ASP H H . . . 1 1 10 10 GLY H H . . . . . 4.0 1.8 5.0 . . . . . A . 7 ASP H . . A . 10 GLY H . . . 7 . HN . . . . . 10 . HN . . rr_1i6f 1 200 1 . . 1 1 8 8 SER H H . . . 1 1 8 8 SER HA H . . . . . 3.0 1.8 3.3 . . . . . A . 8 SER H . . A . 8 SER HA . . . 8 . HN . . . . . 8 . HA . . rr_1i6f 1 201 1 . . 1 1 8 8 SER H H . . . 1 1 8 8 SER HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 8 SER H . . A . 8 SER HB3 . . . 8 . HN . . . . . 8 . HB1 . . rr_1i6f 1 202 1 . . 1 1 8 8 SER H H . . . 1 1 8 8 SER HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 8 SER H . . A . 8 SER HB2 . . . 8 . HN . . . . . 8 . HB2 . . rr_1i6f 1 203 1 . . 1 1 8 8 SER HA H . . . 1 1 8 8 SER HB3 H . . . . . 2.5 1.8 2.7 . . . . . A . 8 SER HA . . A . 8 SER HB3 . . . 8 . HA . . . . . 8 . HB1 . . rr_1i6f 1 204 1 . . 1 1 8 8 SER HA H . . . 1 1 8 8 SER HB2 H . . . . . 2.5 1.8 2.7 . . . . . A . 8 SER HA . . A . 8 SER HB2 . . . 8 . HA . . . . . 8 . HB2 . . rr_1i6f 1 205 1 . . 1 1 9 9 LYS H H . . . 1 1 8 8 SER HA H . . . . . 4.0 1.8 5.0 . . . . . A . 9 LYS H . . A . 8 SER HA . . . 9 . HN . . . . . 8 . HA . . rr_1i6f 1 206 1 . . 1 1 8 8 SER H H . . . 1 1 9 9 LYS H H . . . . . 3.0 1.8 3.3 . . . . . A . 8 SER H . . A . 9 LYS H . . . 8 . HN . . . . . 9 . HN . . rr_1i6f 1 207 1 . . 1 1 9 9 LYS H H . . . 1 1 8 8 SER HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 9 LYS H . . A . 8 SER HB3 . . . 9 . HN . . . . . 8 . HB1 . . rr_1i6f 1 208 1 . . 1 1 9 9 LYS H H . . . 1 1 8 8 SER HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 9 LYS H . . A . 8 SER HB2 . . . 9 . HN . . . . . 8 . HB2 . . rr_1i6f 1 209 1 . . 1 1 10 10 GLY H H . . . 1 1 8 8 SER H H . . . . . 4.0 1.8 5.0 . . . . . A . 10 GLY H . . A . 8 SER H . . . 10 . HN . . . . . 8 . HN . . rr_1i6f 1 210 1 . . 1 1 10 10 GLY H H . . . 1 1 8 8 SER HA H . . . . . 4.0 1.8 5.0 . . . . . A . 10 GLY H . . A . 8 SER HA . . . 10 . HN . . . . . 8 . HA . . rr_1i6f 1 211 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HA H . . . . . 3.0 1.8 3.3 . . . . . A . 9 LYS H . . A . 9 LYS HA . . . 9 . HN . . . . . 9 . HA . . rr_1i6f 1 212 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 9 LYS H . . A . 9 LYS HB3 . . . 9 . HN . . . . . 9 . HB1 . . rr_1i6f 1 213 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 9 LYS H . . A . 9 LYS HB2 . . . 9 . HN . . . . . 9 . HB2 . . rr_1i6f 1 214 1 . . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 9 LYS HA . . A . 9 LYS HB3 . . . 9 . HA . . . . . 9 . HB1 . . rr_1i6f 1 215 1 . . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 9 LYS HA . . A . 9 LYS HB2 . . . 9 . HA . . . . . 9 . HB2 . . rr_1i6f 1 216 1 . . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HG3 H . . . . . 4.0 1.8 5.0 . . . . . A . 9 LYS HA . . A . 9 LYS HG3 . . . 9 . HA . . . . . 9 . HG1 . . rr_1i6f 1 217 1 . . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HG2 H . . . . . 4.0 1.8 5.0 . . . . . A . 9 LYS HA . . A . 9 LYS HG2 . . . 9 . HA . . . . . 9 . HG2 . . rr_1i6f 1 218 1 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HD2 H . . . . . 4.0 0.8 6.0 . . . . . A . 9 LYS HA . . A . 9 LYS HD2 . . . 9 . HA . . . . . 9 . HD# . . rr_1i6f 1 218 2 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HD3 H . . . . . 4.0 0.8 6.0 . . . . . A . 9 LYS HA . . A . 9 LYS HD3 . . . 9 . HA . . . . . 9 . HD# . . rr_1i6f 1 219 1 . . 1 1 10 10 GLY H H . . . 1 1 9 9 LYS H H . . . . . 3.0 1.8 3.3 . . . . . A . 10 GLY H . . A . 9 LYS H . . . 10 . HN . . . . . 9 . HN . . rr_1i6f 1 220 1 . . 1 1 10 10 GLY H H . . . 1 1 9 9 LYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 10 GLY H . . A . 9 LYS HA . . . 10 . HN . . . . . 9 . HA . . rr_1i6f 1 221 1 . . 1 1 10 10 GLY H H . . . 1 1 9 9 LYS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 10 GLY H . . A . 9 LYS HB3 . . . 10 . HN . . . . . 9 . HB1 . . rr_1i6f 1 222 1 . . 1 1 10 10 GLY H H . . . 1 1 9 9 LYS HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 10 GLY H . . A . 9 LYS HB2 . . . 10 . HN . . . . . 9 . HB2 . . rr_1i6f 1 223 1 . . 1 1 11 11 CYS H H . . . 1 1 9 9 LYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 11 CYS H . . A . 9 LYS H . . . 11 . HN . . . . . 9 . HN . . rr_1i6f 1 224 1 . . 1 1 10 10 GLY H H . . . 1 1 10 10 GLY HA3 H . . . . . 3.0 1.8 3.3 . . . . . A . 10 GLY H . . A . 10 GLY HA3 . . . 10 . HN . . . . . 10 . HA1 . . rr_1i6f 1 225 1 . . 1 1 10 10 GLY H H . . . 1 1 10 10 GLY HA2 H . . . . . 3.0 1.8 3.3 . . . . . A . 10 GLY H . . A . 10 GLY HA2 . . . 10 . HN . . . . . 10 . HA2 . . rr_1i6f 1 226 1 . . 1 1 10 10 GLY HA3 H . . . 1 1 11 11 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 10 GLY HA3 . . A . 11 CYS H . . . 10 . HA1 . . . . . 11 . HN . . rr_1i6f 1 227 1 . . 1 1 10 10 GLY HA2 H . . . 1 1 11 11 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 10 GLY HA2 . . A . 11 CYS H . . . 10 . HA2 . . . . . 11 . HN . . rr_1i6f 1 228 1 . . 1 1 10 10 GLY H H . . . 1 1 11 11 CYS H H . . . . . 2.3 1.8 2.5 . . . . . A . 10 GLY H . . A . 11 CYS H . . . 10 . HN . . . . . 11 . HN . . rr_1i6f 1 229 1 . . 1 1 11 11 CYS H H . . . 1 1 11 11 CYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 11 CYS H . . A . 11 CYS HA . . . 11 . HN . . . . . 11 . HA . . rr_1i6f 1 230 1 . . 1 1 11 11 CYS H H . . . 1 1 11 11 CYS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 11 CYS H . . A . 11 CYS HB3 . . . 11 . HN . . . . . 11 . HB1 . . rr_1i6f 1 231 1 . . 1 1 11 11 CYS H H . . . 1 1 11 11 CYS HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 11 CYS H . . A . 11 CYS HB2 . . . 11 . HN . . . . . 11 . HB2 . . rr_1i6f 1 232 1 . . 1 1 11 11 CYS HA H . . . 1 1 11 11 CYS HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 11 CYS HA . . A . 11 CYS HB3 . . . 11 . HA . . . . . 11 . HB1 . . rr_1i6f 1 233 1 . . 1 1 11 11 CYS HA H . . . 1 1 11 11 CYS HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 11 CYS HA . . A . 11 CYS HB2 . . . 11 . HA . . . . . 11 . HB2 . . rr_1i6f 1 234 1 . . 1 1 12 12 LYS H H . . . 1 1 11 11 CYS HA H . . . . . 2.3 1.8 2.5 . . . . . A . 12 LYS H . . A . 11 CYS HA . . . 12 . HN . . . . . 11 . HA . . rr_1i6f 1 235 1 . . 1 1 12 12 LYS H H . . . 1 1 11 11 CYS HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 12 LYS H . . A . 11 CYS HB3 . . . 12 . HN . . . . . 11 . HB1 . . rr_1i6f 1 236 1 . . 1 1 12 12 LYS H H . . . 1 1 11 11 CYS HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 12 LYS H . . A . 11 CYS HB2 . . . 12 . HN . . . . . 11 . HB2 . . rr_1i6f 1 237 1 . . 1 1 11 11 CYS HA H . . . 1 1 59 59 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 11 CYS HA . . A . 59 CYS H . . . 11 . HA . . . . . 59 . HN . . rr_1i6f 1 238 1 . . 1 1 11 11 CYS CB C . . . 1 1 59 59 CYS SG S . . . . . 3.0 2.9 3.1 . . . . . A . 11 CYS CB . . A . 59 CYS SG . . . 11 . CB . . . . . 59 . SG . . rr_1i6f 1 239 1 . . 1 1 59 59 CYS SG S . . . 1 1 11 11 CYS SG S . . . . . 2.0 1.9 2.1 . . . . . A . 59 CYS SG . . A . 11 CYS SG . . . 59 . SG . . . . . 11 . SG . . rr_1i6f 1 240 1 . . 1 1 11 11 CYS SG S . . . 1 1 59 59 CYS CB C . . . . . 3.0 2.9 3.1 . . . . . A . 11 CYS SG . . A . 59 CYS CB . . . 11 . SG . . . . . 59 . CB . . rr_1i6f 1 241 1 . . 1 1 12 12 LYS HA H . . . 1 1 12 12 LYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 12 LYS HA . . A . 12 LYS H . . . 12 . HA . . . . . 12 . HN . . rr_1i6f 1 242 1 . . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 12 LYS H . . A . 12 LYS HB3 . . . 12 . HN . . . . . 12 . HB1 . . rr_1i6f 1 243 1 . . 1 1 12 12 LYS HB2 H . . . 1 1 12 12 LYS H H . . . . . 2.5 1.8 2.7 . . . . . A . 12 LYS HB2 . . A . 12 LYS H . . . 12 . HB2 . . . . . 12 . HN . . rr_1i6f 1 244 1 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HG2 H . . . . . 4.0 0.8 6.0 . . . . . A . 12 LYS H . . A . 12 LYS HG2 . . . 12 . HN . . . . . 12 . HG# . . rr_1i6f 1 244 2 OR . 1 1 12 12 LYS HG3 H . . . 1 1 12 12 LYS H H . . . . . 4.0 0.8 6.0 . . . . . A . 12 LYS HG3 . . A . 12 LYS H . . . 12 . HG# . . . . . 12 . HN . . rr_1i6f 1 245 1 . . 1 1 12 12 LYS HA H . . . 1 1 12 12 LYS HB3 H . . . . . 2.5 1.8 2.7 . . . . . A . 12 LYS HA . . A . 12 LYS HB3 . . . 12 . HA . . . . . 12 . HB1 . . rr_1i6f 1 246 1 . . 1 1 12 12 LYS HB2 H . . . 1 1 12 12 LYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 12 LYS HB2 . . A . 12 LYS HA . . . 12 . HB2 . . . . . 12 . HA . . rr_1i6f 1 247 1 OR . 1 1 12 12 LYS HA H . . . 1 1 12 12 LYS HG2 H . . . . . 4.0 0.8 6.0 . . . . . A . 12 LYS HA . . A . 12 LYS HG2 . . . 12 . HA . . . . . 12 . HG# . . rr_1i6f 1 247 2 OR . 1 1 12 12 LYS HG3 H . . . 1 1 12 12 LYS HA H . . . . . 4.0 0.8 6.0 . . . . . A . 12 LYS HG3 . . A . 12 LYS HA . . . 12 . HG# . . . . . 12 . HA . . rr_1i6f 1 248 1 OR . 1 1 12 12 LYS HG3 H . . . 1 1 12 12 LYS HE3 H . . . . . 4.0 0.8 6.0 . . . . . A . 12 LYS HG3 . . A . 12 LYS HE3 . . . 12 . HG# . . . . . 12 . HE1 . . rr_1i6f 1 248 2 OR . 1 1 12 12 LYS HE3 H . . . 1 1 12 12 LYS HG2 H . . . . . 4.0 0.8 6.0 . . . . . A . 12 LYS HE3 . . A . 12 LYS HG2 . . . 12 . HE1 . . . . . 12 . HG# . . rr_1i6f 1 249 1 OR . 1 1 12 12 LYS HE2 H . . . 1 1 12 12 LYS HG3 H . . . . . 4.0 0.8 6.0 . . . . . A . 12 LYS HE2 . . A . 12 LYS HG3 . . . 12 . HE2 . . . . . 12 . HG# . . rr_1i6f 1 249 2 OR . 1 1 12 12 LYS HE2 H . . . 1 1 12 12 LYS HG2 H . . . . . 4.0 0.8 6.0 . . . . . A . 12 LYS HE2 . . A . 12 LYS HG2 . . . 12 . HE2 . . . . . 12 . HG# . . rr_1i6f 1 250 1 OR . 1 1 12 12 LYS HD2 H . . . 1 1 12 12 LYS HE3 H . . . . . 4.0 0.8 6.0 . . . . . A . 12 LYS HD2 . . A . 12 LYS HE3 . . . 12 . HD# . . . . . 12 . HE1 . . rr_1i6f 1 250 2 OR . 1 1 12 12 LYS HD3 H . . . 1 1 12 12 LYS HE3 H . . . . . 4.0 0.8 6.0 . . . . . A . 12 LYS HD3 . . A . 12 LYS HE3 . . . 12 . HD# . . . . . 12 . HE1 . . rr_1i6f 1 251 1 OR . 1 1 12 12 LYS HE2 H . . . 1 1 12 12 LYS HD2 H . . . . . 4.0 0.8 6.0 . . . . . A . 12 LYS HE2 . . A . 12 LYS HD2 . . . 12 . HE2 . . . . . 12 . HD# . . rr_1i6f 1 251 2 OR . 1 1 12 12 LYS HE2 H . . . 1 1 12 12 LYS HD3 H . . . . . 4.0 0.8 6.0 . . . . . A . 12 LYS HE2 . . A . 12 LYS HD3 . . . 12 . HE2 . . . . . 12 . HD# . . rr_1i6f 1 252 1 OR . 1 1 12 12 LYS HA H . . . 1 1 12 12 LYS HD2 H . . . . . 4.0 0.8 6.0 . . . . . A . 12 LYS HA . . A . 12 LYS HD2 . . . 12 . HA . . . . . 12 . HD# . . rr_1i6f 1 252 2 OR . 1 1 12 12 LYS HA H . . . 1 1 12 12 LYS HD3 H . . . . . 4.0 0.8 6.0 . . . . . A . 12 LYS HA . . A . 12 LYS HD3 . . . 12 . HA . . . . . 12 . HD# . . rr_1i6f 1 253 1 . . 1 1 12 12 LYS HA H . . . 1 1 13 13 LEU H H . . . . . 2.3 1.8 2.5 . . . . . A . 12 LYS HA . . A . 13 LEU H . . . 12 . HA . . . . . 13 . HN . . rr_1i6f 1 254 1 . . 1 1 12 12 LYS H H . . . 1 1 13 13 LEU H H . . . . . 4.0 1.8 5.0 . . . . . A . 12 LYS H . . A . 13 LEU H . . . 12 . HN . . . . . 13 . HN . . rr_1i6f 1 255 1 . . 1 1 12 12 LYS HB2 H . . . 1 1 13 13 LEU H H . . . . . 4.0 1.8 5.0 . . . . . A . 12 LYS HB2 . . A . 13 LEU H . . . 12 . HB2 . . . . . 13 . HN . . rr_1i6f 1 256 1 . . 1 1 13 13 LEU H H . . . 1 1 12 12 LYS HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 13 LEU H . . A . 12 LYS HB3 . . . 13 . HN . . . . . 12 . HB1 . . rr_1i6f 1 257 1 OR . 1 1 52 52 SER HB3 H . . . 1 1 12 12 LYS HE3 H . . . . . 4.0 0.8 6.0 . . . . . A . 52 SER HB3 . . A . 12 LYS HE3 . . . 52 . HB1 . . . . . 12 . HE# . . rr_1i6f 1 257 2 OR . 1 1 12 12 LYS HE2 H . . . 1 1 52 52 SER HB3 H . . . . . 4.0 0.8 6.0 . . . . . A . 12 LYS HE2 . . A . 52 SER HB3 . . . 12 . HE# . . . . . 52 . HB1 . . rr_1i6f 1 258 1 OR . 1 1 52 52 SER HB2 H . . . 1 1 12 12 LYS HE3 H . . . . . 4.0 0.8 6.0 . . . . . A . 52 SER HB2 . . A . 12 LYS HE3 . . . 52 . HB2 . . . . . 12 . HE# . . rr_1i6f 1 258 2 OR . 1 1 12 12 LYS HE2 H . . . 1 1 52 52 SER HB2 H . . . . . 4.0 0.8 6.0 . . . . . A . 12 LYS HE2 . . A . 52 SER HB2 . . . 12 . HE# . . . . . 52 . HB2 . . rr_1i6f 1 259 1 . . 1 1 13 13 LEU H H . . . 1 1 13 13 LEU HA H . . . . . 4.0 1.8 5.0 . . . . . A . 13 LEU H . . A . 13 LEU HA . . . 13 . HN . . . . . 13 . HA . . rr_1i6f 1 260 1 OR . 1 1 13 13 LEU H H . . . 1 1 13 13 LEU HB3 H . . . . . 4.0 0.8 6.0 . . . . . A . 13 LEU H . . A . 13 LEU HB3 . . . 13 . HN . . . . . 13 . HB# . . rr_1i6f 1 260 2 OR . 1 1 13 13 LEU H H . . . 1 1 13 13 LEU HB2 H . . . . . 4.0 0.8 6.0 . . . . . A . 13 LEU H . . A . 13 LEU HB2 . . . 13 . HN . . . . . 13 . HB# . . rr_1i6f 1 261 1 . . 1 1 13 13 LEU H H . . . 1 1 13 13 LEU HG H . . . . . 4.0 1.8 5.0 . . . . . A . 13 LEU H . . A . 13 LEU HG . . . 13 . HN . . . . . 13 . HG . . rr_1i6f 1 262 1 OR . 1 1 13 13 LEU H H . . . 1 1 13 13 LEU MD1 H . . . . . 4.0 -0.8 7.6 . . . . . A . 13 LEU H . . A . 13 LEU MD1 . . . 13 . HN . . . . . 13 . HD# . . rr_1i6f 1 262 2 OR . 1 1 13 13 LEU H H . . . 1 1 13 13 LEU MD2 H . . . . . 4.0 -0.8 7.6 . . . . . A . 13 LEU H . . A . 13 LEU MD2 . . . 13 . HN . . . . . 13 . HD# . . rr_1i6f 1 263 1 OR . 1 1 13 13 LEU HA H . . . 1 1 13 13 LEU HB3 H . . . . . 3.0 0.8 4.3 . . . . . A . 13 LEU HA . . A . 13 LEU HB3 . . . 13 . HA . . . . . 13 . HB# . . rr_1i6f 1 263 2 OR . 1 1 13 13 LEU HA H . . . 1 1 13 13 LEU HB2 H . . . . . 3.0 0.8 4.3 . . . . . A . 13 LEU HA . . A . 13 LEU HB2 . . . 13 . HA . . . . . 13 . HB# . . rr_1i6f 1 264 1 . . 1 1 13 13 LEU HA H . . . 1 1 13 13 LEU HG H . . . . . 4.0 1.8 5.0 . . . . . A . 13 LEU HA . . A . 13 LEU HG . . . 13 . HA . . . . . 13 . HG . . rr_1i6f 1 265 1 . . 1 1 13 13 LEU HA H . . . 1 1 13 13 LEU MD1 H . . . . . 4.0 0.7 6.1 . . . . . A . 13 LEU HA . . A . 13 LEU MD1 . . . 13 . HA . . . . . 13 . HD1# . . rr_1i6f 1 266 1 . . 1 1 13 13 LEU HA H . . . 1 1 13 13 LEU MD2 H . . . . . 4.0 0.7 6.1 . . . . . A . 13 LEU HA . . A . 13 LEU MD2 . . . 13 . HA . . . . . 13 . HD2# . . rr_1i6f 1 267 1 . . 1 1 13 13 LEU HA H . . . 1 1 14 14 SER H H . . . . . 2.3 1.8 2.5 . . . . . A . 13 LEU HA . . A . 14 SER H . . . 13 . HA . . . . . 14 . HN . . rr_1i6f 1 268 1 OR . 1 1 14 14 SER H H . . . 1 1 13 13 LEU HB3 H . . . . . 4.0 0.8 6.0 . . . . . A . 14 SER H . . A . 13 LEU HB3 . . . 14 . HN . . . . . 13 . HB# . . rr_1i6f 1 268 2 OR . 1 1 13 13 LEU HB2 H . . . 1 1 14 14 SER H H . . . . . 4.0 0.8 6.0 . . . . . A . 13 LEU HB2 . . A . 14 SER H . . . 13 . HB# . . . . . 14 . HN . . rr_1i6f 1 269 1 . . 1 1 13 13 LEU H H . . . 1 1 14 14 SER H H . . . . . 4.0 1.8 5.0 . . . . . A . 13 LEU H . . A . 14 SER H . . . 13 . HN . . . . . 14 . HN . . rr_1i6f 1 270 1 OR . 1 1 20 20 TYR QE H . . . 1 1 13 13 LEU HB3 H . . . . . 3.0 -1.2 6.3 . . . . . A . 20 TYR QE . . A . 13 LEU HB3 . . . 20 . HE# . . . . . 13 . HB# . . rr_1i6f 1 270 2 OR . 1 1 13 13 LEU HB2 H . . . 1 1 20 20 TYR QE H . . . . . 3.0 -1.2 6.3 . . . . . A . 13 LEU HB2 . . A . 20 TYR QE . . . 13 . HB# . . . . . 20 . HE# . . rr_1i6f 1 271 1 . . 1 1 13 13 LEU HG H . . . 1 1 20 20 TYR QE H . . . . . 3.0 -0.2 5.3 . . . . . A . 13 LEU HG . . A . 20 TYR QE . . . 13 . HG . . . . . 20 . HE# . . rr_1i6f 1 272 1 . . 1 1 20 20 TYR QE H . . . 1 1 13 13 LEU MD1 H . . . . . 4.0 -1.3 8.1 . . . . . A . 20 TYR QE . . A . 13 LEU MD1 . . . 20 . HE# . . . . . 13 . HD1# . . rr_1i6f 1 273 1 . . 1 1 13 13 LEU MD2 H . . . 1 1 20 20 TYR QE H . . . . . 3.0 0.9 4.2 . . . . . A . 13 LEU MD2 . . A . 20 TYR QE . . . 13 . HD2# . . . . . 20 . HE# . . rr_1i6f 1 274 1 OR . 1 1 28 28 LYS HE3 H . . . 1 1 13 13 LEU MD1 H . . . . . 4.0 -0.3 7.1 . . . . . A . 28 LYS HE3 . . A . 13 LEU MD1 . . . 28 . HE# . . . . . 13 . HD1# . . rr_1i6f 1 274 2 OR . 1 1 13 13 LEU MD1 H . . . 1 1 28 28 LYS HE2 H . . . . . 4.0 -0.3 7.1 . . . . . A . 13 LEU MD1 . . A . 28 LYS HE2 . . . 13 . HD1# . . . . . 28 . HE# . . rr_1i6f 1 275 1 OR . 1 1 28 28 LYS HE3 H . . . 1 1 13 13 LEU MD2 H . . . . . 4.0 -0.3 7.1 . . . . . A . 28 LYS HE3 . . A . 13 LEU MD2 . . . 28 . HE# . . . . . 13 . HD2# . . rr_1i6f 1 275 2 OR . 1 1 13 13 LEU MD2 H . . . 1 1 28 28 LYS HE2 H . . . . . 4.0 -0.3 7.1 . . . . . A . 13 LEU MD2 . . A . 28 LYS HE2 . . . 13 . HD2# . . . . . 28 . HE# . . rr_1i6f 1 276 1 . . 1 1 39 39 SER HB3 H . . . 1 1 13 13 LEU H H . . . . . 4.0 1.8 5.0 . . . . . A . 39 SER HB3 . . A . 13 LEU H . . . 39 . HB1 . . . . . 13 . HN . . rr_1i6f 1 277 1 . . 1 1 13 13 LEU HA H . . . 1 1 40 40 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 13 LEU HA . . A . 40 CYS H . . . 13 . HA . . . . . 40 . HN . . rr_1i6f 1 278 1 . . 1 1 13 13 LEU H H . . . 1 1 40 40 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 13 LEU H . . A . 40 CYS H . . . 13 . HN . . . . . 40 . HN . . rr_1i6f 1 279 1 . . 1 1 40 40 CYS H H . . . 1 1 13 13 LEU HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 40 CYS H . . A . 13 LEU HB3 . . . 40 . HN . . . . . 13 . HB1 . . rr_1i6f 1 280 1 OR . 1 1 40 40 CYS H H . . . 1 1 13 13 LEU MD1 H . . . . . 4.0 -0.8 7.6 . . . . . A . 40 CYS H . . A . 13 LEU MD1 . . . 40 . HN . . . . . 13 . HD# . . rr_1i6f 1 280 2 OR . 1 1 13 13 LEU MD2 H . . . 1 1 40 40 CYS H H . . . . . 4.0 -0.8 7.6 . . . . . A . 13 LEU MD2 . . A . 40 CYS H . . . 13 . HD# . . . . . 40 . HN . . rr_1i6f 1 281 1 . . 1 1 14 14 SER H H . . . 1 1 14 14 SER HA H . . . . . 4.0 1.8 5.0 . . . . . A . 14 SER H . . A . 14 SER HA . . . 14 . HN . . . . . 14 . HA . . rr_1i6f 1 282 1 . . 1 1 14 14 SER H H . . . 1 1 14 14 SER HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 14 SER H . . A . 14 SER HB3 . . . 14 . HN . . . . . 14 . HB1 . . rr_1i6f 1 283 1 . . 1 1 14 14 SER H H . . . 1 1 14 14 SER HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 14 SER H . . A . 14 SER HB2 . . . 14 . HN . . . . . 14 . HB2 . . rr_1i6f 1 284 1 . . 1 1 14 14 SER HA H . . . 1 1 14 14 SER HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 14 SER HA . . A . 14 SER HB3 . . . 14 . HA . . . . . 14 . HB1 . . rr_1i6f 1 285 1 . . 1 1 14 14 SER HA H . . . 1 1 14 14 SER HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 14 SER HA . . A . 14 SER HB2 . . . 14 . HA . . . . . 14 . HB2 . . rr_1i6f 1 286 1 . . 1 1 14 14 SER H H . . . 1 1 15 15 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 14 SER H . . A . 15 CYS H . . . 14 . HN . . . . . 15 . HN . . rr_1i6f 1 287 1 . . 1 1 14 14 SER HB3 H . . . 1 1 15 15 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 14 SER HB3 . . A . 15 CYS H . . . 14 . HB1 . . . . . 15 . HN . . rr_1i6f 1 288 1 . . 1 1 14 14 SER HB2 H . . . 1 1 15 15 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 14 SER HB2 . . A . 15 CYS H . . . 14 . HB2 . . . . . 15 . HN . . rr_1i6f 1 289 1 . . 1 1 14 14 SER HA H . . . 1 1 15 15 CYS H H . . . . . 2.3 1.8 2.5 . . . . . A . 14 SER HA . . A . 15 CYS H . . . 14 . HA . . . . . 15 . HN . . rr_1i6f 1 290 1 . . 1 1 39 39 SER HA H . . . 1 1 14 14 SER HA H . . . . . 3.0 1.8 3.3 . . . . . A . 39 SER HA . . A . 14 SER HA . . . 39 . HA . . . . . 14 . HA . . rr_1i6f 1 291 1 . . 1 1 40 40 CYS H H . . . 1 1 14 14 SER HA H . . . . . 4.0 1.8 5.0 . . . . . A . 40 CYS H . . A . 14 SER HA . . . 40 . HN . . . . . 14 . HA . . rr_1i6f 1 292 1 . . 1 1 15 15 CYS H H . . . 1 1 15 15 CYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 15 CYS H . . A . 15 CYS HA . . . 15 . HN . . . . . 15 . HA . . rr_1i6f 1 293 1 . . 1 1 15 15 CYS H H . . . 1 1 15 15 CYS HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 15 CYS H . . A . 15 CYS HB3 . . . 15 . HN . . . . . 15 . HB1 . . rr_1i6f 1 294 1 . . 1 1 15 15 CYS H H . . . 1 1 15 15 CYS HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 15 CYS H . . A . 15 CYS HB2 . . . 15 . HN . . . . . 15 . HB2 . . rr_1i6f 1 295 1 . . 1 1 15 15 CYS HA H . . . 1 1 15 15 CYS HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 15 CYS HA . . A . 15 CYS HB3 . . . 15 . HA . . . . . 15 . HB1 . . rr_1i6f 1 296 1 . . 1 1 15 15 CYS HA H . . . 1 1 15 15 CYS HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 15 CYS HA . . A . 15 CYS HB2 . . . 15 . HA . . . . . 15 . HB2 . . rr_1i6f 1 297 1 . . 1 1 15 15 CYS H H . . . 1 1 16 16 VAL H H . . . . . 4.0 1.8 5.0 . . . . . A . 15 CYS H . . A . 16 VAL H . . . 15 . HN . . . . . 16 . HN . . rr_1i6f 1 298 1 . . 1 1 15 15 CYS HA H . . . 1 1 16 16 VAL H H . . . . . 2.5 1.8 2.7 . . . . . A . 15 CYS HA . . A . 16 VAL H . . . 15 . HA . . . . . 16 . HN . . rr_1i6f 1 299 1 . . 1 1 16 16 VAL H H . . . 1 1 15 15 CYS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 16 VAL H . . A . 15 CYS HB3 . . . 16 . HN . . . . . 15 . HB1 . . rr_1i6f 1 300 1 . . 1 1 16 16 VAL H H . . . 1 1 15 15 CYS HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 16 VAL H . . A . 15 CYS HB2 . . . 16 . HN . . . . . 15 . HB2 . . rr_1i6f 1 301 1 . . 1 1 15 15 CYS HA H . . . 1 1 17 17 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 15 CYS HA . . A . 17 ALA H . . . 15 . HA . . . . . 17 . HN . . rr_1i6f 1 302 1 . . 1 1 17 17 ALA H H . . . 1 1 15 15 CYS HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 17 ALA H . . A . 15 CYS HB2 . . . 17 . HN . . . . . 15 . HB2 . . rr_1i6f 1 303 1 . . 1 1 15 15 CYS HA H . . . 1 1 20 20 TYR QD H . . . . . 3.0 -0.2 5.3 . . . . . A . 15 CYS HA . . A . 20 TYR QD . . . 15 . HA . . . . . 20 . HD# . . rr_1i6f 1 304 1 . . 1 1 20 20 TYR QE H . . . 1 1 15 15 CYS HA H . . . . . 4.0 -0.2 7.0 . . . . . A . 20 TYR QE . . A . 15 CYS HA . . . 20 . HE# . . . . . 15 . HA . . rr_1i6f 1 305 1 OR . 1 1 20 20 TYR QD H . . . 1 1 15 15 CYS HB3 H . . . . . 3.0 -1.2 6.5 . . . . . A . 20 TYR QD . . A . 15 CYS HB3 . . . 20 . HD# . . . . . 15 . HB# . . rr_1i6f 1 305 2 OR . 1 1 20 20 TYR QD H . . . 1 1 15 15 CYS HB2 H . . . . . 3.0 -1.2 6.5 . . . . . A . 20 TYR QD . . A . 15 CYS HB2 . . . 20 . HD# . . . . . 15 . HB# . . rr_1i6f 1 306 1 OR . 1 1 20 20 TYR QE H . . . 1 1 15 15 CYS HB3 H . . . . . 4.0 -1.2 8.0 . . . . . A . 20 TYR QE . . A . 15 CYS HB3 . . . 20 . HE# . . . . . 15 . HB# . . rr_1i6f 1 306 2 OR . 1 1 20 20 TYR QE H . . . 1 1 15 15 CYS HB2 H . . . . . 4.0 -1.2 8.0 . . . . . A . 20 TYR QE . . A . 15 CYS HB2 . . . 20 . HE# . . . . . 15 . HB# . . rr_1i6f 1 307 1 . . 1 1 15 15 CYS CB C . . . 1 1 35 35 CYS SG S . . . . . 3.0 2.9 3.1 . . . . . A . 15 CYS CB . . A . 35 CYS SG . . . 15 . CB . . . . . 35 . SG . . rr_1i6f 1 308 1 . . 1 1 35 35 CYS SG S . . . 1 1 15 15 CYS SG S . . . . . 2.0 1.9 2.1 . . . . . A . 35 CYS SG . . A . 15 CYS SG . . . 35 . SG . . . . . 15 . SG . . rr_1i6f 1 309 1 . . 1 1 15 15 CYS SG S . . . 1 1 35 35 CYS CB C . . . . . 3.0 2.9 3.1 . . . . . A . 15 CYS SG . . A . 35 CYS CB . . . 15 . SG . . . . . 35 . CB . . rr_1i6f 1 310 1 . . 1 1 39 39 SER HA H . . . 1 1 15 15 CYS H H . . . . . 3.0 1.8 3.3 . . . . . A . 39 SER HA . . A . 15 CYS H . . . 39 . HA . . . . . 15 . HN . . rr_1i6f 1 311 1 . . 1 1 40 40 CYS H H . . . 1 1 15 15 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 40 CYS H . . A . 15 CYS H . . . 40 . HN . . . . . 15 . HN . . rr_1i6f 1 312 1 . . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL HA H . . . . . 4.0 1.8 5.0 . . . . . A . 16 VAL H . . A . 16 VAL HA . . . 16 . HN . . . . . 16 . HA . . rr_1i6f 1 313 1 . . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL HB H . . . . . 4.0 1.8 5.0 . . . . . A . 16 VAL H . . A . 16 VAL HB . . . 16 . HN . . . . . 16 . HB . . rr_1i6f 1 314 1 . . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL MG1 H . . . . . 2.5 1.1 3.4 . . . . . A . 16 VAL H . . A . 16 VAL MG1 . . . 16 . HN . . . . . 16 . HG1# . . rr_1i6f 1 315 1 . . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL MG2 H . . . . . 4.0 0.7 6.1 . . . . . A . 16 VAL H . . A . 16 VAL MG2 . . . 16 . HN . . . . . 16 . HG2# . . rr_1i6f 1 316 1 . . 1 1 16 16 VAL HA H . . . 1 1 16 16 VAL MG2 H . . . . . 2.5 1.1 3.4 . . . . . A . 16 VAL HA . . A . 16 VAL MG2 . . . 16 . HA . . . . . 16 . HG2# . . rr_1i6f 1 317 1 . . 1 1 16 16 VAL HA H . . . 1 1 16 16 VAL MG1 H . . . . . 4.0 0.7 6.1 . . . . . A . 16 VAL HA . . A . 16 VAL MG1 . . . 16 . HA . . . . . 16 . HG1# . . rr_1i6f 1 318 1 . . 1 1 16 16 VAL HA H . . . 1 1 16 16 VAL HB H . . . . . 2.5 1.8 2.7 . . . . . A . 16 VAL HA . . A . 16 VAL HB . . . 16 . HA . . . . . 16 . HB . . rr_1i6f 1 319 1 . . 1 1 16 16 VAL H H . . . 1 1 17 17 ALA H H . . . . . 2.3 1.8 2.5 . . . . . A . 16 VAL H . . A . 17 ALA H . . . 16 . HN . . . . . 17 . HN . . rr_1i6f 1 320 1 . . 1 1 17 17 ALA H H . . . 1 1 16 16 VAL HA H . . . . . 4.0 1.8 5.0 . . . . . A . 17 ALA H . . A . 16 VAL HA . . . 17 . HN . . . . . 16 . HA . . rr_1i6f 1 321 1 . . 1 1 17 17 ALA H H . . . 1 1 16 16 VAL HB H . . . . . 4.0 1.8 5.0 . . . . . A . 17 ALA H . . A . 16 VAL HB . . . 17 . HN . . . . . 16 . HB . . rr_1i6f 1 322 1 . . 1 1 17 17 ALA H H . . . 1 1 16 16 VAL MG1 H . . . . . 3.0 0.9 4.4 . . . . . A . 17 ALA H . . A . 16 VAL MG1 . . . 17 . HN . . . . . 16 . HG1# . . rr_1i6f 1 323 1 . . 1 1 17 17 ALA H H . . . 1 1 16 16 VAL MG2 H . . . . . 4.0 0.8 6.0 . . . . . A . 17 ALA H . . A . 16 VAL MG2 . . . 17 . HN . . . . . 16 . HG2# . . rr_1i6f 1 324 1 . . 1 1 17 17 ALA H H . . . 1 1 16 16 VAL HA H . . . . . 4.0 1.8 5.0 . . . . . A . 17 ALA H . . A . 16 VAL HA . . . 17 . HN . . . . . 16 . HA . . rr_1i6f 1 325 1 . . 1 1 16 16 VAL H H . . . 1 1 20 20 TYR QD H . . . . . 4.0 -0.2 7.0 . . . . . A . 16 VAL H . . A . 20 TYR QD . . . 16 . HN . . . . . 20 . HD# . . rr_1i6f 1 326 1 . . 1 1 20 20 TYR QE H . . . 1 1 16 16 VAL H H . . . . . 4.0 -0.2 7.0 . . . . . A . 20 TYR QE . . A . 16 VAL H . . . 20 . HE# . . . . . 16 . HN . . rr_1i6f 1 327 1 . . 1 1 17 17 ALA H H . . . 1 1 17 17 ALA HA H . . . . . 4.0 1.8 5.0 . . . . . A . 17 ALA H . . A . 17 ALA HA . . . 17 . HN . . . . . 17 . HA . . rr_1i6f 1 328 1 . . 1 1 17 17 ALA H H . . . 1 1 17 17 ALA MB H . . . . . 2.5 1.1 3.4 . . . . . A . 17 ALA H . . A . 17 ALA MB . . . 17 . HN . . . . . 17 . HB# . . rr_1i6f 1 329 1 . . 1 1 17 17 ALA H H . . . 1 1 18 18 ASN H H . . . . . 4.0 1.8 5.0 . . . . . A . 17 ALA H . . A . 18 ASN H . . . 17 . HN . . . . . 18 . HN . . rr_1i6f 1 330 1 . . 1 1 17 17 ALA HA H . . . 1 1 18 18 ASN H H . . . . . 2.3 1.8 2.5 . . . . . A . 17 ALA HA . . A . 18 ASN H . . . 17 . HA . . . . . 18 . HN . . rr_1i6f 1 331 1 . . 1 1 17 17 ALA MB H . . . 1 1 18 18 ASN H H . . . . . 3.0 0.9 4.4 . . . . . A . 17 ALA MB . . A . 18 ASN H . . . 17 . HB# . . . . . 18 . HN . . rr_1i6f 1 332 1 . . 1 1 17 17 ALA HA H . . . 1 1 19 19 ASN H H . . . . . 4.0 1.8 5.0 . . . . . A . 17 ALA HA . . A . 19 ASN H . . . 17 . HA . . . . . 19 . HN . . rr_1i6f 1 333 1 . . 1 1 17 17 ALA MB H . . . 1 1 19 19 ASN H H . . . . . 3.0 0.9 4.4 . . . . . A . 17 ALA MB . . A . 19 ASN H . . . 17 . HB# . . . . . 19 . HN . . rr_1i6f 1 334 1 . . 1 1 17 17 ALA MB H . . . 1 1 20 20 TYR H H . . . . . 3.0 0.9 4.4 . . . . . A . 17 ALA MB . . A . 20 TYR H . . . 17 . HB# . . . . . 20 . HN . . rr_1i6f 1 335 1 . . 1 1 20 20 TYR QD H . . . 1 1 17 17 ALA MB H . . . . . 4.0 -1.3 8.1 . . . . . A . 20 TYR QD . . A . 17 ALA MB . . . 20 . HD# . . . . . 17 . HB# . . rr_1i6f 1 336 1 . . 1 1 20 20 TYR QE H . . . 1 1 17 17 ALA MB H . . . . . 4.0 -1.3 8.1 . . . . . A . 20 TYR QE . . A . 17 ALA MB . . . 20 . HE# . . . . . 17 . HB# . . rr_1i6f 1 337 1 . . 1 1 17 17 ALA H H . . . 1 1 20 20 TYR HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 17 ALA H . . A . 20 TYR HB3 . . . 17 . HN . . . . . 20 . HB1 . . rr_1i6f 1 338 1 . . 1 1 17 17 ALA MB H . . . 1 1 20 20 TYR HB3 H . . . . . 4.0 0.7 6.1 . . . . . A . 17 ALA MB . . A . 20 TYR HB3 . . . 17 . HB# . . . . . 20 . HB1 . . rr_1i6f 1 339 1 . . 1 1 17 17 ALA MB H . . . 1 1 20 20 TYR HB2 H . . . . . 4.0 0.7 6.1 . . . . . A . 17 ALA MB . . A . 20 TYR HB2 . . . 17 . HB# . . . . . 20 . HB2 . . rr_1i6f 1 340 1 . . 1 1 18 18 ASN H H . . . 1 1 18 18 ASN HA H . . . . . 3.0 1.8 3.3 . . . . . A . 18 ASN H . . A . 18 ASN HA . . . 18 . HN . . . . . 18 . HA . . rr_1i6f 1 341 1 . . 1 1 18 18 ASN H H . . . 1 1 18 18 ASN HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 18 ASN H . . A . 18 ASN HB2 . . . 18 . HN . . . . . 18 . HB2 . . rr_1i6f 1 342 1 . . 1 1 18 18 ASN H H . . . 1 1 18 18 ASN HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 18 ASN H . . A . 18 ASN HB3 . . . 18 . HN . . . . . 18 . HB1 . . rr_1i6f 1 343 1 . . 1 1 18 18 ASN HA H . . . 1 1 18 18 ASN HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 18 ASN HA . . A . 18 ASN HB3 . . . 18 . HA . . . . . 18 . HB1 . . rr_1i6f 1 344 1 . . 1 1 18 18 ASN HA H . . . 1 1 18 18 ASN HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 18 ASN HA . . A . 18 ASN HB2 . . . 18 . HA . . . . . 18 . HB2 . . rr_1i6f 1 345 1 . . 1 1 18 18 ASN HB3 H . . . 1 1 18 18 ASN HD21 H . . . . . 3.0 1.8 3.3 . . . . . A . 18 ASN HB3 . . A . 18 ASN HD21 . . . 18 . HB1 . . . . . 18 . HD21 . . rr_1i6f 1 346 1 . . 1 1 18 18 ASN HB3 H . . . 1 1 18 18 ASN HD22 H . . . . . 4.0 1.8 5.0 . . . . . A . 18 ASN HB3 . . A . 18 ASN HD22 . . . 18 . HB1 . . . . . 18 . HD22 . . rr_1i6f 1 347 1 . . 1 1 18 18 ASN HB2 H . . . 1 1 18 18 ASN HD21 H . . . . . 2.5 1.8 2.7 . . . . . A . 18 ASN HB2 . . A . 18 ASN HD21 . . . 18 . HB2 . . . . . 18 . HD21 . . rr_1i6f 1 348 1 . . 1 1 18 18 ASN HB2 H . . . 1 1 18 18 ASN HD22 H . . . . . 4.0 1.8 5.0 . . . . . A . 18 ASN HB2 . . A . 18 ASN HD22 . . . 18 . HB2 . . . . . 18 . HD22 . . rr_1i6f 1 349 1 . . 1 1 18 18 ASN H H . . . 1 1 19 19 ASN H H . . . . . 3.0 1.8 3.3 . . . . . A . 18 ASN H . . A . 19 ASN H . . . 18 . HN . . . . . 19 . HN . . rr_1i6f 1 350 1 . . 1 1 19 19 ASN H H . . . 1 1 18 18 ASN HA H . . . . . 4.0 1.8 5.0 . . . . . A . 19 ASN H . . A . 18 ASN HA . . . 19 . HN . . . . . 18 . HA . . rr_1i6f 1 351 1 . . 1 1 19 19 ASN H H . . . 1 1 18 18 ASN HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 19 ASN H . . A . 18 ASN HB3 . . . 19 . HN . . . . . 18 . HB1 . . rr_1i6f 1 352 1 . . 1 1 18 18 ASN H H . . . 1 1 20 20 TYR H H . . . . . 4.0 1.8 5.0 . . . . . A . 18 ASN H . . A . 20 TYR H . . . 18 . HN . . . . . 20 . HN . . rr_1i6f 1 353 1 . . 1 1 18 18 ASN HA H . . . 1 1 21 21 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 18 ASN HA . . A . 21 CYS H . . . 18 . HA . . . . . 21 . HN . . rr_1i6f 1 354 1 . . 1 1 18 18 ASN HA H . . . 1 1 21 21 CYS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 18 ASN HA . . A . 21 CYS HB3 . . . 18 . HA . . . . . 21 . HB1 . . rr_1i6f 1 355 1 . . 1 1 18 18 ASN HA H . . . 1 1 21 21 CYS HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 18 ASN HA . . A . 21 CYS HB2 . . . 18 . HA . . . . . 21 . HB2 . . rr_1i6f 1 356 1 . . 1 1 18 18 ASN HB3 H . . . 1 1 34 34 HIS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 18 ASN HB3 . . A . 34 HIS HA . . . 18 . HB1 . . . . . 34 . HA . . rr_1i6f 1 357 1 . . 1 1 18 18 ASN HA H . . . 1 1 34 34 HIS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 18 ASN HA . . A . 34 HIS HA . . . 18 . HA . . . . . 34 . HA . . rr_1i6f 1 358 1 . . 1 1 18 18 ASN HA H . . . 1 1 35 35 CYS H H . . . . . 2.5 1.8 2.7 . . . . . A . 18 ASN HA . . A . 35 CYS H . . . 18 . HA . . . . . 35 . HN . . rr_1i6f 1 359 1 . . 1 1 18 18 ASN H H . . . 1 1 35 35 CYS H H . . . . . 5.0 2.8 6.0 . . . . . A . 18 ASN H . . A . 35 CYS H . . . 18 . HN . . . . . 35 . HN . . rr_1i6f 1 360 1 . . 1 1 18 18 ASN HB3 H . . . 1 1 35 35 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 18 ASN HB3 . . A . 35 CYS H . . . 18 . HB1 . . . . . 35 . HN . . rr_1i6f 1 361 1 . . 1 1 18 18 ASN HA H . . . 1 1 35 35 CYS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 18 ASN HA . . A . 35 CYS HB3 . . . 18 . HA . . . . . 35 . HB1 . . rr_1i6f 1 362 1 . . 1 1 18 18 ASN HA H . . . 1 1 35 35 CYS HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 18 ASN HA . . A . 35 CYS HB2 . . . 18 . HA . . . . . 35 . HB2 . . rr_1i6f 1 363 1 . . 1 1 19 19 ASN H H . . . 1 1 19 19 ASN HA H . . . . . 3.0 1.8 3.3 . . . . . A . 19 ASN H . . A . 19 ASN HA . . . 19 . HN . . . . . 19 . HA . . rr_1i6f 1 364 1 . . 1 1 19 19 ASN H H . . . 1 1 19 19 ASN HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 19 ASN H . . A . 19 ASN HB3 . . . 19 . HN . . . . . 19 . HB1 . . rr_1i6f 1 365 1 . . 1 1 19 19 ASN H H . . . 1 1 19 19 ASN HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 19 ASN H . . A . 19 ASN HB2 . . . 19 . HN . . . . . 19 . HB2 . . rr_1i6f 1 366 1 . . 1 1 19 19 ASN HA H . . . 1 1 19 19 ASN HB3 H . . . . . 2.5 1.8 2.7 . . . . . A . 19 ASN HA . . A . 19 ASN HB3 . . . 19 . HA . . . . . 19 . HB1 . . rr_1i6f 1 367 1 . . 1 1 19 19 ASN HA H . . . 1 1 19 19 ASN HB2 H . . . . . 2.5 1.8 2.7 . . . . . A . 19 ASN HA . . A . 19 ASN HB2 . . . 19 . HA . . . . . 19 . HB2 . . rr_1i6f 1 368 1 . . 1 1 19 19 ASN HB3 H . . . 1 1 19 19 ASN HD21 H . . . . . 3.0 1.8 3.3 . . . . . A . 19 ASN HB3 . . A . 19 ASN HD21 . . . 19 . HB1 . . . . . 19 . HD21 . . rr_1i6f 1 369 1 . . 1 1 19 19 ASN HB3 H . . . 1 1 19 19 ASN HD22 H . . . . . 4.0 1.8 5.0 . . . . . A . 19 ASN HB3 . . A . 19 ASN HD22 . . . 19 . HB1 . . . . . 19 . HD22 . . rr_1i6f 1 370 1 . . 1 1 19 19 ASN HB2 H . . . 1 1 19 19 ASN HD21 H . . . . . 3.0 1.8 3.3 . . . . . A . 19 ASN HB2 . . A . 19 ASN HD21 . . . 19 . HB2 . . . . . 19 . HD21 . . rr_1i6f 1 371 1 . . 1 1 19 19 ASN HB2 H . . . 1 1 19 19 ASN HD22 H . . . . . 4.0 1.8 5.0 . . . . . A . 19 ASN HB2 . . A . 19 ASN HD22 . . . 19 . HB2 . . . . . 19 . HD22 . . rr_1i6f 1 372 1 . . 1 1 20 20 TYR H H . . . 1 1 19 19 ASN HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 20 TYR H . . A . 19 ASN HB3 . . . 20 . HN . . . . . 19 . HB1 . . rr_1i6f 1 373 1 . . 1 1 20 20 TYR H H . . . 1 1 19 19 ASN HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 20 TYR H . . A . 19 ASN HB2 . . . 20 . HN . . . . . 19 . HB2 . . rr_1i6f 1 374 1 . . 1 1 19 19 ASN H H . . . 1 1 20 20 TYR H H . . . . . 3.0 1.8 3.3 . . . . . A . 19 ASN H . . A . 20 TYR H . . . 19 . HN . . . . . 20 . HN . . rr_1i6f 1 375 1 . . 1 1 20 20 TYR H H . . . 1 1 19 19 ASN HA H . . . . . 4.0 1.8 5.0 . . . . . A . 20 TYR H . . A . 19 ASN HA . . . 20 . HN . . . . . 19 . HA . . rr_1i6f 1 376 1 . . 1 1 19 19 ASN H H . . . 1 1 21 21 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 19 ASN H . . A . 21 CYS H . . . 19 . HN . . . . . 21 . HN . . rr_1i6f 1 377 1 . . 1 1 19 19 ASN HA H . . . 1 1 22 22 ASP H H . . . . . 4.0 1.8 5.0 . . . . . A . 19 ASN HA . . A . 22 ASP H . . . 19 . HA . . . . . 22 . HN . . rr_1i6f 1 378 1 . . 1 1 19 19 ASN HA H . . . 1 1 22 22 ASP HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 19 ASN HA . . A . 22 ASP HB3 . . . 19 . HA . . . . . 22 . HB1 . . rr_1i6f 1 379 1 . . 1 1 19 19 ASN HA H . . . 1 1 22 22 ASP HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 19 ASN HA . . A . 22 ASP HB2 . . . 19 . HA . . . . . 22 . HB2 . . rr_1i6f 1 380 1 . . 1 1 19 19 ASN HA H . . . 1 1 23 23 ASN H H . . . . . 4.0 1.8 5.0 . . . . . A . 19 ASN HA . . A . 23 ASN H . . . 19 . HA . . . . . 23 . HN . . rr_1i6f 1 381 1 . . 1 1 20 20 TYR H H . . . 1 1 20 20 TYR HA H . . . . . 4.0 1.8 5.0 . . . . . A . 20 TYR H . . A . 20 TYR HA . . . 20 . HN . . . . . 20 . HA . . rr_1i6f 1 382 1 . . 1 1 20 20 TYR H H . . . 1 1 20 20 TYR HB3 H . . . . . 2.5 1.8 2.7 . . . . . A . 20 TYR H . . A . 20 TYR HB3 . . . 20 . HN . . . . . 20 . HB1 . . rr_1i6f 1 383 1 . . 1 1 20 20 TYR H H . . . 1 1 20 20 TYR HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 20 TYR H . . A . 20 TYR HB2 . . . 20 . HN . . . . . 20 . HB2 . . rr_1i6f 1 384 1 . . 1 1 20 20 TYR HB3 H . . . 1 1 20 20 TYR HA H . . . . . 4.0 1.8 5.0 . . . . . A . 20 TYR HB3 . . A . 20 TYR HA . . . 20 . HB1 . . . . . 20 . HA . . rr_1i6f 1 385 1 . . 1 1 20 20 TYR HB2 H . . . 1 1 20 20 TYR HA H . . . . . 3.0 1.8 3.3 . . . . . A . 20 TYR HB2 . . A . 20 TYR HA . . . 20 . HB2 . . . . . 20 . HA . . rr_1i6f 1 386 1 . . 1 1 20 20 TYR QD H . . . 1 1 20 20 TYR HB2 H . . . . . 3.0 1.8 5.5 . . . . . A . 20 TYR QD . . A . 20 TYR HB2 . . . 20 . HD# . . . . . 20 . HB2 . . rr_1i6f 1 387 1 . . 1 1 20 20 TYR QD H . . . 1 1 20 20 TYR HB3 H . . . . . 3.0 -0.2 5.3 . . . . . A . 20 TYR QD . . A . 20 TYR HB3 . . . 20 . HD# . . . . . 20 . HB1 . . rr_1i6f 1 388 1 . . 1 1 20 20 TYR QD H . . . 1 1 20 20 TYR HA H . . . . . 3.0 -0.2 5.3 . . . . . A . 20 TYR QD . . A . 20 TYR HA . . . 20 . HD# . . . . . 20 . HA . . rr_1i6f 1 389 1 . . 1 1 20 20 TYR QE H . . . 1 1 20 20 TYR HB2 H . . . . . 4.0 -0.2 7.0 . . . . . A . 20 TYR QE . . A . 20 TYR HB2 . . . 20 . HE# . . . . . 20 . HB2 . . rr_1i6f 1 390 1 . . 1 1 20 20 TYR QE H . . . 1 1 20 20 TYR HB3 H . . . . . 4.0 -0.2 7.0 . . . . . A . 20 TYR QE . . A . 20 TYR HB3 . . . 20 . HE# . . . . . 20 . HB1 . . rr_1i6f 1 391 1 . . 1 1 20 20 TYR QE H . . . 1 1 20 20 TYR HA H . . . . . 4.0 -0.2 7.0 . . . . . A . 20 TYR QE . . A . 20 TYR HA . . . 20 . HE# . . . . . 20 . HA . . rr_1i6f 1 392 1 . . 1 1 20 20 TYR QD H . . . 1 1 21 21 CYS HB3 H . . . . . 4.0 -0.2 7.0 . . . . . A . 20 TYR QD . . A . 21 CYS HB3 . . . 20 . HD# . . . . . 21 . HB1 . . rr_1i6f 1 393 1 . . 1 1 20 20 TYR QD H . . . 1 1 21 21 CYS HB2 H . . . . . 4.0 -0.2 7.0 . . . . . A . 20 TYR QD . . A . 21 CYS HB2 . . . 20 . HD# . . . . . 21 . HB2 . . rr_1i6f 1 394 1 . . 1 1 20 20 TYR HB3 H . . . 1 1 21 21 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 20 TYR HB3 . . A . 21 CYS H . . . 20 . HB1 . . . . . 21 . HN . . rr_1i6f 1 395 1 . . 1 1 20 20 TYR HB2 H . . . 1 1 21 21 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 20 TYR HB2 . . A . 21 CYS H . . . 20 . HB2 . . . . . 21 . HN . . rr_1i6f 1 396 1 . . 1 1 20 20 TYR H H . . . 1 1 21 21 CYS H H . . . . . 3.0 1.8 3.3 . . . . . A . 20 TYR H . . A . 21 CYS H . . . 20 . HN . . . . . 21 . HN . . rr_1i6f 1 397 1 . . 1 1 21 21 CYS H H . . . 1 1 20 20 TYR HA H . . . . . 4.0 1.8 5.0 . . . . . A . 21 CYS H . . A . 20 TYR HA . . . 21 . HN . . . . . 20 . HA . . rr_1i6f 1 398 1 . . 1 1 20 20 TYR H H . . . 1 1 22 22 ASP H H . . . . . 4.0 1.8 5.0 . . . . . A . 20 TYR H . . A . 22 ASP H . . . 20 . HN . . . . . 22 . HN . . rr_1i6f 1 399 1 . . 1 1 23 23 ASN H H . . . 1 1 20 20 TYR HA H . . . . . 4.0 1.8 5.0 . . . . . A . 23 ASN H . . A . 20 TYR HA . . . 23 . HN . . . . . 20 . HA . . rr_1i6f 1 400 1 . . 1 1 20 20 TYR HA H . . . 1 1 24 24 GLN H H . . . . . 4.0 1.8 5.0 . . . . . A . 20 TYR HA . . A . 24 GLN H . . . 20 . HA . . . . . 24 . HN . . rr_1i6f 1 401 1 . . 1 1 21 21 CYS H H . . . 1 1 21 21 CYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 21 CYS H . . A . 21 CYS HA . . . 21 . HN . . . . . 21 . HA . . rr_1i6f 1 402 1 . . 1 1 21 21 CYS H H . . . 1 1 21 21 CYS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 21 CYS H . . A . 21 CYS HB3 . . . 21 . HN . . . . . 21 . HB1 . . rr_1i6f 1 403 1 . . 1 1 21 21 CYS H H . . . 1 1 21 21 CYS HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 21 CYS H . . A . 21 CYS HB2 . . . 21 . HN . . . . . 21 . HB2 . . rr_1i6f 1 404 1 . . 1 1 21 21 CYS HB3 H . . . 1 1 21 21 CYS HA H . . . . . 2.5 1.8 2.7 . . . . . A . 21 CYS HB3 . . A . 21 CYS HA . . . 21 . HB1 . . . . . 21 . HA . . rr_1i6f 1 405 1 . . 1 1 21 21 CYS HB2 H . . . 1 1 21 21 CYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 21 CYS HB2 . . A . 21 CYS HA . . . 21 . HB2 . . . . . 21 . HA . . rr_1i6f 1 406 1 . . 1 1 21 21 CYS H H . . . 1 1 22 22 ASP H H . . . . . 3.0 1.8 3.3 . . . . . A . 21 CYS H . . A . 22 ASP H . . . 21 . HN . . . . . 22 . HN . . rr_1i6f 1 407 1 . . 1 1 22 22 ASP H H . . . 1 1 21 21 CYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 22 ASP H . . A . 21 CYS HA . . . 22 . HN . . . . . 21 . HA . . rr_1i6f 1 408 1 . . 1 1 21 21 CYS HB3 H . . . 1 1 22 22 ASP H H . . . . . 4.0 1.8 5.0 . . . . . A . 21 CYS HB3 . . A . 22 ASP H . . . 21 . HB1 . . . . . 22 . HN . . rr_1i6f 1 409 1 . . 1 1 21 21 CYS HB2 H . . . 1 1 22 22 ASP H H . . . . . 4.0 1.8 5.0 . . . . . A . 21 CYS HB2 . . A . 22 ASP H . . . 21 . HB2 . . . . . 22 . HN . . rr_1i6f 1 410 1 . . 1 1 24 24 GLN H H . . . 1 1 21 21 CYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 24 GLN H . . A . 21 CYS HA . . . 24 . HN . . . . . 21 . HA . . rr_1i6f 1 411 1 OR . 1 1 21 21 CYS HA H . . . 1 1 24 24 GLN HB2 H . . . . . 4.0 0.8 6.0 . . . . . A . 21 CYS HA . . A . 24 GLN HB2 . . . 21 . HA . . . . . 24 . HB# . . rr_1i6f 1 411 2 OR . 1 1 21 21 CYS HA H . . . 1 1 24 24 GLN HB3 H . . . . . 4.0 0.8 6.0 . . . . . A . 21 CYS HA . . A . 24 GLN HB3 . . . 21 . HA . . . . . 24 . HB# . . rr_1i6f 1 412 1 . . 1 1 21 21 CYS HA H . . . 1 1 25 25 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 21 CYS HA . . A . 25 CYS H . . . 21 . HA . . . . . 25 . HN . . rr_1i6f 1 413 1 . . 1 1 21 21 CYS HB3 H . . . 1 1 34 34 HIS H H . . . . . 4.0 1.8 5.0 . . . . . A . 21 CYS HB3 . . A . 34 HIS H . . . 21 . HB1 . . . . . 34 . HN . . rr_1i6f 1 414 1 . . 1 1 21 21 CYS HB2 H . . . 1 1 34 34 HIS H H . . . . . 4.0 1.8 5.0 . . . . . A . 21 CYS HB2 . . A . 34 HIS H . . . 21 . HB2 . . . . . 34 . HN . . rr_1i6f 1 415 1 . . 1 1 21 21 CYS HB3 H . . . 1 1 34 34 HIS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 21 CYS HB3 . . A . 34 HIS HA . . . 21 . HB1 . . . . . 34 . HA . . rr_1i6f 1 416 1 . . 1 1 21 21 CYS HB2 H . . . 1 1 34 34 HIS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 21 CYS HB2 . . A . 34 HIS HA . . . 21 . HB2 . . . . . 34 . HA . . rr_1i6f 1 417 1 . . 1 1 21 21 CYS HB3 H . . . 1 1 35 35 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 21 CYS HB3 . . A . 35 CYS H . . . 21 . HB1 . . . . . 35 . HN . . rr_1i6f 1 418 1 . . 1 1 21 21 CYS HA H . . . 1 1 40 40 CYS HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 21 CYS HA . . A . 40 CYS HB2 . . . 21 . HA . . . . . 40 . HB2 . . rr_1i6f 1 419 1 . . 1 1 21 21 CYS CB C . . . 1 1 40 40 CYS SG S . . . . . 3.0 2.9 3.1 . . . . . A . 21 CYS CB . . A . 40 CYS SG . . . 21 . CB . . . . . 40 . SG . . rr_1i6f 1 420 1 . . 1 1 40 40 CYS SG S . . . 1 1 21 21 CYS SG S . . . . . 2.0 1.9 2.1 . . . . . A . 40 CYS SG . . A . 21 CYS SG . . . 40 . SG . . . . . 21 . SG . . rr_1i6f 1 421 1 . . 1 1 21 21 CYS SG S . . . 1 1 40 40 CYS CB C . . . . . 3.0 2.9 3.1 . . . . . A . 21 CYS SG . . A . 40 CYS CB . . . 21 . SG . . . . . 40 . CB . . rr_1i6f 1 422 1 . . 1 1 22 22 ASP H H . . . 1 1 22 22 ASP HA H . . . . . 3.0 1.8 3.3 . . . . . A . 22 ASP H . . A . 22 ASP HA . . . 22 . HN . . . . . 22 . HA . . rr_1i6f 1 423 1 . . 1 1 22 22 ASP H H . . . 1 1 22 22 ASP HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 22 ASP H . . A . 22 ASP HB3 . . . 22 . HN . . . . . 22 . HB1 . . rr_1i6f 1 424 1 . . 1 1 22 22 ASP H H . . . 1 1 22 22 ASP HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 22 ASP H . . A . 22 ASP HB2 . . . 22 . HN . . . . . 22 . HB2 . . rr_1i6f 1 425 1 . . 1 1 22 22 ASP HB3 H . . . 1 1 22 22 ASP HA H . . . . . 4.0 1.8 5.0 . . . . . A . 22 ASP HB3 . . A . 22 ASP HA . . . 22 . HB1 . . . . . 22 . HA . . rr_1i6f 1 426 1 . . 1 1 22 22 ASP HB2 H . . . 1 1 22 22 ASP HA H . . . . . 3.0 1.8 3.3 . . . . . A . 22 ASP HB2 . . A . 22 ASP HA . . . 22 . HB2 . . . . . 22 . HA . . rr_1i6f 1 427 1 . . 1 1 22 22 ASP H H . . . 1 1 23 23 ASN H H . . . . . 3.0 1.8 3.3 . . . . . A . 22 ASP H . . A . 23 ASN H . . . 22 . HN . . . . . 23 . HN . . rr_1i6f 1 428 1 . . 1 1 23 23 ASN H H . . . 1 1 22 22 ASP HA H . . . . . 4.0 1.8 5.0 . . . . . A . 23 ASN H . . A . 22 ASP HA . . . 23 . HN . . . . . 22 . HA . . rr_1i6f 1 429 1 . . 1 1 22 22 ASP HB3 H . . . 1 1 23 23 ASN H H . . . . . 2.5 1.8 2.7 . . . . . A . 22 ASP HB3 . . A . 23 ASN H . . . 22 . HB1 . . . . . 23 . HN . . rr_1i6f 1 430 1 . . 1 1 22 22 ASP HB2 H . . . 1 1 23 23 ASN H H . . . . . 4.0 1.8 5.0 . . . . . A . 22 ASP HB2 . . A . 23 ASN H . . . 22 . HB2 . . . . . 23 . HN . . rr_1i6f 1 431 1 . . 1 1 34 34 HIS HA H . . . 1 1 22 22 ASP H H . . . . . 4.0 1.8 5.0 . . . . . A . 34 HIS HA . . A . 22 ASP H . . . 34 . HA . . . . . 22 . HN . . rr_1i6f 1 432 1 . . 1 1 23 23 ASN H H . . . 1 1 23 23 ASN HA H . . . . . 3.0 1.8 3.3 . . . . . A . 23 ASN H . . A . 23 ASN HA . . . 23 . HN . . . . . 23 . HA . . rr_1i6f 1 433 1 . . 1 1 23 23 ASN H H . . . 1 1 23 23 ASN HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 23 ASN H . . A . 23 ASN HB3 . . . 23 . HN . . . . . 23 . HB1 . . rr_1i6f 1 434 1 . . 1 1 23 23 ASN H H . . . 1 1 23 23 ASN HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 23 ASN H . . A . 23 ASN HB2 . . . 23 . HN . . . . . 23 . HB2 . . rr_1i6f 1 435 1 . . 1 1 23 23 ASN HA H . . . 1 1 23 23 ASN HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 23 ASN HA . . A . 23 ASN HB3 . . . 23 . HA . . . . . 23 . HB1 . . rr_1i6f 1 436 1 . . 1 1 23 23 ASN HA H . . . 1 1 23 23 ASN HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 23 ASN HA . . A . 23 ASN HB2 . . . 23 . HA . . . . . 23 . HB2 . . rr_1i6f 1 437 1 . . 1 1 23 23 ASN H H . . . 1 1 24 24 GLN H H . . . . . 3.0 1.8 3.3 . . . . . A . 23 ASN H . . A . 24 GLN H . . . 23 . HN . . . . . 24 . HN . . rr_1i6f 1 438 1 . . 1 1 24 24 GLN H H . . . 1 1 23 23 ASN HA H . . . . . 4.0 1.8 5.0 . . . . . A . 24 GLN H . . A . 23 ASN HA . . . 24 . HN . . . . . 23 . HA . . rr_1i6f 1 439 1 . . 1 1 24 24 GLN H H . . . 1 1 23 23 ASN HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 24 GLN H . . A . 23 ASN HB3 . . . 24 . HN . . . . . 23 . HB1 . . rr_1i6f 1 440 1 . . 1 1 24 24 GLN H H . . . 1 1 23 23 ASN HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 24 GLN H . . A . 23 ASN HB2 . . . 24 . HN . . . . . 23 . HB2 . . rr_1i6f 1 441 1 . . 1 1 23 23 ASN HA H . . . 1 1 26 26 LYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 23 ASN HA . . A . 26 LYS H . . . 23 . HA . . . . . 26 . HN . . rr_1i6f 1 442 1 . . 1 1 23 23 ASN HA H . . . 1 1 26 26 LYS HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 23 ASN HA . . A . 26 LYS HB3 . . . 23 . HA . . . . . 26 . HB1 . . rr_1i6f 1 443 1 . . 1 1 23 23 ASN HA H . . . 1 1 26 26 LYS HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 23 ASN HA . . A . 26 LYS HB2 . . . 23 . HA . . . . . 26 . HB2 . . rr_1i6f 1 444 1 . . 1 1 23 23 ASN HA H . . . 1 1 27 27 MET H H . . . . . 4.0 1.8 5.0 . . . . . A . 23 ASN HA . . A . 27 MET H . . . 23 . HA . . . . . 27 . HN . . rr_1i6f 1 445 1 . . 1 1 24 24 GLN H H . . . 1 1 24 24 GLN HA H . . . . . 3.0 1.8 3.3 . . . . . A . 24 GLN H . . A . 24 GLN HA . . . 24 . HN . . . . . 24 . HA . . rr_1i6f 1 446 1 . . 1 1 24 24 GLN H H . . . 1 1 24 24 GLN HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 24 GLN H . . A . 24 GLN HB3 . . . 24 . HN . . . . . 24 . HB1 . . rr_1i6f 1 447 1 . . 1 1 24 24 GLN H H . . . 1 1 24 24 GLN HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 24 GLN H . . A . 24 GLN HB2 . . . 24 . HN . . . . . 24 . HB2 . . rr_1i6f 1 448 1 . . 1 1 24 24 GLN H H . . . 1 1 24 24 GLN HG3 H . . . . . 4.0 1.8 5.0 . . . . . A . 24 GLN H . . A . 24 GLN HG3 . . . 24 . HN . . . . . 24 . HG1 . . rr_1i6f 1 449 1 . . 1 1 24 24 GLN H H . . . 1 1 24 24 GLN HG2 H . . . . . 4.0 1.8 5.0 . . . . . A . 24 GLN H . . A . 24 GLN HG2 . . . 24 . HN . . . . . 24 . HG2 . . rr_1i6f 1 450 1 . . 1 1 24 24 GLN HB3 H . . . 1 1 24 24 GLN HA H . . . . . 4.0 1.8 5.0 . . . . . A . 24 GLN HB3 . . A . 24 GLN HA . . . 24 . HB1 . . . . . 24 . HA . . rr_1i6f 1 451 1 . . 1 1 24 24 GLN HA H . . . 1 1 24 24 GLN HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 24 GLN HA . . A . 24 GLN HB2 . . . 24 . HA . . . . . 24 . HB2 . . rr_1i6f 1 452 1 . . 1 1 24 24 GLN HA H . . . 1 1 24 24 GLN HG3 H . . . . . 4.0 1.8 5.0 . . . . . A . 24 GLN HA . . A . 24 GLN HG3 . . . 24 . HA . . . . . 24 . HG1 . . rr_1i6f 1 453 1 . . 1 1 24 24 GLN HA H . . . 1 1 24 24 GLN HG2 H . . . . . 4.0 1.8 5.0 . . . . . A . 24 GLN HA . . A . 24 GLN HG2 . . . 24 . HA . . . . . 24 . HG2 . . rr_1i6f 1 454 1 OR . 1 1 24 24 GLN HE22 H . . . 1 1 24 24 GLN HG3 H . . . . . 4.0 1.8 5.0 . . . . . A . 24 GLN HE22 . . A . 24 GLN HG3 . . . 24 . HE22 . . . . . 24 . HG# . . rr_1i6f 1 454 2 OR . 1 1 24 24 GLN HG2 H . . . 1 1 24 24 GLN HE22 H . . . . . 4.0 1.8 5.0 . . . . . A . 24 GLN HG2 . . A . 24 GLN HE22 . . . 24 . HG# . . . . . 24 . HE22 . . rr_1i6f 1 455 1 OR . 1 1 24 24 GLN HE21 H . . . 1 1 24 24 GLN HG3 H . . . . . 3.0 1.8 3.3 . . . . . A . 24 GLN HE21 . . A . 24 GLN HG3 . . . 24 . HE21 . . . . . 24 . HG# . . rr_1i6f 1 455 2 OR . 1 1 24 24 GLN HG2 H . . . 1 1 24 24 GLN HE21 H . . . . . 3.0 1.8 3.3 . . . . . A . 24 GLN HG2 . . A . 24 GLN HE21 . . . 24 . HG# . . . . . 24 . HE21 . . rr_1i6f 1 456 1 . . 1 1 24 24 GLN H H . . . 1 1 25 25 CYS H H . . . . . 3.0 1.8 3.3 . . . . . A . 24 GLN H . . A . 25 CYS H . . . 24 . HN . . . . . 25 . HN . . rr_1i6f 1 457 1 . . 1 1 25 25 CYS H H . . . 1 1 24 24 GLN HA H . . . . . 4.0 1.8 5.0 . . . . . A . 25 CYS H . . A . 24 GLN HA . . . 25 . HN . . . . . 24 . HA . . rr_1i6f 1 458 1 OR . 1 1 25 25 CYS H H . . . 1 1 24 24 GLN HB2 H . . . . . 3.0 0.8 4.3 . . . . . A . 25 CYS H . . A . 24 GLN HB2 . . . 25 . HN . . . . . 24 . HB# . . rr_1i6f 1 458 2 OR . 1 1 24 24 GLN HB3 H . . . 1 1 25 25 CYS H H . . . . . 3.0 0.8 4.3 . . . . . A . 24 GLN HB3 . . A . 25 CYS H . . . 24 . HB# . . . . . 25 . HN . . rr_1i6f 1 459 1 . . 1 1 25 25 CYS H H . . . 1 1 24 24 GLN HA H . . . . . 4.0 1.8 5.0 . . . . . A . 25 CYS H . . A . 24 GLN HA . . . 25 . HN . . . . . 24 . HA . . rr_1i6f 1 460 1 . . 1 1 27 27 MET H H . . . 1 1 24 24 GLN HA H . . . . . 4.0 1.8 5.0 . . . . . A . 27 MET H . . A . 24 GLN HA . . . 27 . HN . . . . . 24 . HA . . rr_1i6f 1 461 1 . . 1 1 24 24 GLN HA H . . . 1 1 27 27 MET HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 24 GLN HA . . A . 27 MET HB3 . . . 24 . HA . . . . . 27 . HB1 . . rr_1i6f 1 462 1 . . 1 1 24 24 GLN HA H . . . 1 1 27 27 MET HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 24 GLN HA . . A . 27 MET HB2 . . . 24 . HA . . . . . 27 . HB2 . . rr_1i6f 1 463 1 OR . 1 1 24 24 GLN HA H . . . 1 1 27 27 MET HG3 H . . . . . 4.0 0.8 6.0 . . . . . A . 24 GLN HA . . A . 27 MET HG3 . . . 24 . HA . . . . . 27 . HG# . . rr_1i6f 1 463 2 OR . 1 1 24 24 GLN HA H . . . 1 1 27 27 MET HG2 H . . . . . 4.0 0.8 6.0 . . . . . A . 24 GLN HA . . A . 27 MET HG2 . . . 24 . HA . . . . . 27 . HG# . . rr_1i6f 1 464 1 . . 1 1 24 24 GLN HA H . . . 1 1 27 27 MET ME H . . . . . 3.0 0.9 4.4 . . . . . A . 24 GLN HA . . A . 27 MET ME . . . 24 . HA . . . . . 27 . HE# . . rr_1i6f 1 465 1 . . 1 1 24 24 GLN HE21 H . . . 1 1 27 27 MET ME H . . . . . 4.0 0.7 6.1 . . . . . A . 24 GLN HE21 . . A . 27 MET ME . . . 24 . HE21 . . . . . 27 . HE# . . rr_1i6f 1 466 1 . . 1 1 24 24 GLN HE22 H . . . 1 1 27 27 MET ME H . . . . . 3.0 0.9 4.4 . . . . . A . 24 GLN HE22 . . A . 27 MET ME . . . 24 . HE22 . . . . . 27 . HE# . . rr_1i6f 1 467 1 . . 1 1 25 25 CYS H H . . . 1 1 25 25 CYS HA H . . . . . 3.0 1.8 3.3 . . . . . A . 25 CYS H . . A . 25 CYS HA . . . 25 . HN . . . . . 25 . HA . . rr_1i6f 1 468 1 . . 1 1 25 25 CYS H H . . . 1 1 25 25 CYS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 25 CYS H . . A . 25 CYS HB3 . . . 25 . HN . . . . . 25 . HB1 . . rr_1i6f 1 469 1 . . 1 1 25 25 CYS H H . . . 1 1 25 25 CYS HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 25 CYS H . . A . 25 CYS HB2 . . . 25 . HN . . . . . 25 . HB2 . . rr_1i6f 1 470 1 . . 1 1 25 25 CYS HA H . . . 1 1 25 25 CYS HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 25 CYS HA . . A . 25 CYS HB3 . . . 25 . HA . . . . . 25 . HB1 . . rr_1i6f 1 471 1 . . 1 1 25 25 CYS HA H . . . 1 1 25 25 CYS HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 25 CYS HA . . A . 25 CYS HB2 . . . 25 . HA . . . . . 25 . HB2 . . rr_1i6f 1 472 1 . . 1 1 26 26 LYS H H . . . 1 1 25 25 CYS HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 26 LYS H . . A . 25 CYS HB3 . . . 26 . HN . . . . . 25 . HB1 . . rr_1i6f 1 473 1 . . 1 1 26 26 LYS H H . . . 1 1 25 25 CYS HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 26 LYS H . . A . 25 CYS HB2 . . . 26 . HN . . . . . 25 . HB2 . . rr_1i6f 1 474 1 . . 1 1 26 26 LYS H H . . . 1 1 25 25 CYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 26 LYS H . . A . 25 CYS HA . . . 26 . HN . . . . . 25 . HA . . rr_1i6f 1 475 1 . . 1 1 25 25 CYS H H . . . 1 1 26 26 LYS H H . . . . . 3.0 1.8 3.3 . . . . . A . 25 CYS H . . A . 26 LYS H . . . 25 . HN . . . . . 26 . HN . . rr_1i6f 1 476 1 . . 1 1 25 25 CYS H H . . . 1 1 27 27 MET H H . . . . . 4.0 1.8 5.0 . . . . . A . 25 CYS H . . A . 27 MET H . . . 25 . HN . . . . . 27 . HN . . rr_1i6f 1 477 1 . . 1 1 27 27 MET H H . . . 1 1 25 25 CYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 27 MET H . . A . 25 CYS HA . . . 27 . HN . . . . . 25 . HA . . rr_1i6f 1 478 1 . . 1 1 25 25 CYS HA H . . . 1 1 28 28 LYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 25 CYS HA . . A . 28 LYS H . . . 25 . HA . . . . . 28 . HN . . rr_1i6f 1 479 1 . . 1 1 25 25 CYS HA H . . . 1 1 28 28 LYS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 25 CYS HA . . A . 28 LYS HB3 . . . 25 . HA . . . . . 28 . HB1 . . rr_1i6f 1 480 1 . . 1 1 25 25 CYS HA H . . . 1 1 28 28 LYS HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 25 CYS HA . . A . 28 LYS HB2 . . . 25 . HA . . . . . 28 . HB2 . . rr_1i6f 1 481 1 . . 1 1 25 25 CYS HA H . . . 1 1 30 30 ALA MB H . . . . . 4.0 0.7 6.1 . . . . . A . 25 CYS HA . . A . 30 ALA MB . . . 25 . HA . . . . . 30 . HB# . . rr_1i6f 1 482 1 . . 1 1 25 25 CYS HB3 H . . . 1 1 30 30 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 25 CYS HB3 . . A . 30 ALA H . . . 25 . HB1 . . . . . 30 . HN . . rr_1i6f 1 483 1 . . 1 1 25 25 CYS HB3 H . . . 1 1 30 30 ALA MB H . . . . . 2.5 1.1 3.4 . . . . . A . 25 CYS HB3 . . A . 30 ALA MB . . . 25 . HB1 . . . . . 30 . HB# . . rr_1i6f 1 484 1 . . 1 1 25 25 CYS HB2 H . . . 1 1 30 30 ALA MB H . . . . . 3.0 0.9 4.4 . . . . . A . 25 CYS HB2 . . A . 30 ALA MB . . . 25 . HB2 . . . . . 30 . HB# . . rr_1i6f 1 485 1 . . 1 1 25 25 CYS HB3 H . . . 1 1 31 31 SER H H . . . . . 4.0 1.8 5.0 . . . . . A . 25 CYS HB3 . . A . 31 SER H . . . 25 . HB1 . . . . . 31 . HN . . rr_1i6f 1 486 1 . . 1 1 25 25 CYS HB3 H . . . 1 1 32 32 GLY H H . . . . . 4.0 1.8 5.0 . . . . . A . 25 CYS HB3 . . A . 32 GLY H . . . 25 . HB1 . . . . . 32 . HN . . rr_1i6f 1 487 1 . . 1 1 25 25 CYS CB C . . . 1 1 42 42 CYS SG S . . . . . 3.0 2.9 3.1 . . . . . A . 25 CYS CB . . A . 42 CYS SG . . . 25 . CB . . . . . 42 . SG . . rr_1i6f 1 488 1 . . 1 1 42 42 CYS SG S . . . 1 1 25 25 CYS SG S . . . . . 2.0 1.9 2.1 . . . . . A . 42 CYS SG . . A . 25 CYS SG . . . 42 . SG . . . . . 25 . SG . . rr_1i6f 1 489 1 . . 1 1 25 25 CYS SG S . . . 1 1 42 42 CYS CB C . . . . . 3.0 2.9 3.1 . . . . . A . 25 CYS SG . . A . 42 CYS CB . . . 25 . SG . . . . . 42 . CB . . rr_1i6f 1 490 1 . . 1 1 26 26 LYS H H . . . 1 1 26 26 LYS HA H . . . . . 3.0 1.8 3.3 . . . . . A . 26 LYS H . . A . 26 LYS HA . . . 26 . HN . . . . . 26 . HA . . rr_1i6f 1 491 1 . . 1 1 26 26 LYS H H . . . 1 1 26 26 LYS HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 26 LYS H . . A . 26 LYS HB3 . . . 26 . HN . . . . . 26 . HB1 . . rr_1i6f 1 492 1 . . 1 1 26 26 LYS H H . . . 1 1 26 26 LYS HB2 H . . . . . 2.5 1.8 2.7 . . . . . A . 26 LYS H . . A . 26 LYS HB2 . . . 26 . HN . . . . . 26 . HB2 . . rr_1i6f 1 493 1 . . 1 1 26 26 LYS HB3 H . . . 1 1 26 26 LYS HA H . . . . . 3.0 1.8 3.3 . . . . . A . 26 LYS HB3 . . A . 26 LYS HA . . . 26 . HB1 . . . . . 26 . HA . . rr_1i6f 1 494 1 . . 1 1 26 26 LYS HB2 H . . . 1 1 26 26 LYS HA H . . . . . 3.0 1.8 3.3 . . . . . A . 26 LYS HB2 . . A . 26 LYS HA . . . 26 . HB2 . . . . . 26 . HA . . rr_1i6f 1 495 1 . . 1 1 26 26 LYS HA H . . . 1 1 26 26 LYS HG3 H . . . . . 4.0 1.8 5.0 . . . . . A . 26 LYS HA . . A . 26 LYS HG3 . . . 26 . HA . . . . . 26 . HG1 . . rr_1i6f 1 496 1 . . 1 1 26 26 LYS HA H . . . 1 1 26 26 LYS HG2 H . . . . . 4.0 1.8 5.0 . . . . . A . 26 LYS HA . . A . 26 LYS HG2 . . . 26 . HA . . . . . 26 . HG2 . . rr_1i6f 1 497 1 . . 1 1 26 26 LYS H H . . . 1 1 27 27 MET H H . . . . . 3.0 1.8 3.3 . . . . . A . 26 LYS H . . A . 27 MET H . . . 26 . HN . . . . . 27 . HN . . rr_1i6f 1 498 1 . . 1 1 26 26 LYS HB3 H . . . 1 1 27 27 MET H H . . . . . 3.0 1.8 3.3 . . . . . A . 26 LYS HB3 . . A . 27 MET H . . . 26 . HB1 . . . . . 27 . HN . . rr_1i6f 1 499 1 . . 1 1 26 26 LYS HB2 H . . . 1 1 27 27 MET H H . . . . . 4.0 1.8 5.0 . . . . . A . 26 LYS HB2 . . A . 27 MET H . . . 26 . HB2 . . . . . 27 . HN . . rr_1i6f 1 500 1 . . 1 1 26 26 LYS H H . . . 1 1 28 28 LYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 26 LYS H . . A . 28 LYS H . . . 26 . HN . . . . . 28 . HN . . rr_1i6f 1 501 1 . . 1 1 26 26 LYS HA H . . . 1 1 29 29 LYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 26 LYS HA . . A . 29 LYS H . . . 26 . HA . . . . . 29 . HN . . rr_1i6f 1 502 1 . . 1 1 30 30 ALA H H . . . 1 1 26 26 LYS HA H . . . . . 3.0 1.8 3.3 . . . . . A . 30 ALA H . . A . 26 LYS HA . . . 30 . HN . . . . . 26 . HA . . rr_1i6f 1 503 1 . . 1 1 30 30 ALA MB H . . . 1 1 26 26 LYS HA H . . . . . 4.0 0.7 6.1 . . . . . A . 30 ALA MB . . A . 26 LYS HA . . . 30 . HB# . . . . . 26 . HA . . rr_1i6f 1 504 1 . . 1 1 27 27 MET H H . . . 1 1 27 27 MET HA H . . . . . 3.0 1.8 3.3 . . . . . A . 27 MET H . . A . 27 MET HA . . . 27 . HN . . . . . 27 . HA . . rr_1i6f 1 505 1 . . 1 1 27 27 MET H H . . . 1 1 27 27 MET HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 27 MET H . . A . 27 MET HB3 . . . 27 . HN . . . . . 27 . HB1 . . rr_1i6f 1 506 1 . . 1 1 27 27 MET H H . . . 1 1 27 27 MET HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 27 MET H . . A . 27 MET HB2 . . . 27 . HN . . . . . 27 . HB2 . . rr_1i6f 1 507 1 . . 1 1 27 27 MET H H . . . 1 1 27 27 MET HG3 H . . . . . 4.0 1.8 5.0 . . . . . A . 27 MET H . . A . 27 MET HG3 . . . 27 . HN . . . . . 27 . HG1 . . rr_1i6f 1 508 1 . . 1 1 27 27 MET H H . . . 1 1 27 27 MET HG2 H . . . . . 4.0 1.8 5.0 . . . . . A . 27 MET H . . A . 27 MET HG2 . . . 27 . HN . . . . . 27 . HG2 . . rr_1i6f 1 509 1 . . 1 1 27 27 MET HB3 H . . . 1 1 27 27 MET HA H . . . . . 3.0 1.8 3.3 . . . . . A . 27 MET HB3 . . A . 27 MET HA . . . 27 . HB1 . . . . . 27 . HA . . rr_1i6f 1 510 1 . . 1 1 27 27 MET HB2 H . . . 1 1 27 27 MET HA H . . . . . 4.0 1.8 5.0 . . . . . A . 27 MET HB2 . . A . 27 MET HA . . . 27 . HB2 . . . . . 27 . HA . . rr_1i6f 1 511 1 . . 1 1 27 27 MET HA H . . . 1 1 27 27 MET HG3 H . . . . . 4.0 1.8 5.0 . . . . . A . 27 MET HA . . A . 27 MET HG3 . . . 27 . HA . . . . . 27 . HG1 . . rr_1i6f 1 512 1 . . 1 1 27 27 MET HG2 H . . . 1 1 27 27 MET HA H . . . . . 4.0 1.8 5.0 . . . . . A . 27 MET HG2 . . A . 27 MET HA . . . 27 . HG2 . . . . . 27 . HA . . rr_1i6f 1 513 1 . . 1 1 27 27 MET HB2 H . . . 1 1 28 28 LYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 27 MET HB2 . . A . 28 LYS H . . . 27 . HB2 . . . . . 28 . HN . . rr_1i6f 1 514 1 . . 1 1 28 28 LYS H H . . . 1 1 27 27 MET HA H . . . . . 4.0 1.8 5.0 . . . . . A . 28 LYS H . . A . 27 MET HA . . . 28 . HN . . . . . 27 . HA . . rr_1i6f 1 515 1 . . 1 1 27 27 MET H H . . . 1 1 28 28 LYS H H . . . . . 3.0 1.8 3.3 . . . . . A . 27 MET H . . A . 28 LYS H . . . 27 . HN . . . . . 28 . HN . . rr_1i6f 1 516 1 . . 1 1 27 27 MET H H . . . 1 1 29 29 LYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 27 MET H . . A . 29 LYS H . . . 27 . HN . . . . . 29 . HN . . rr_1i6f 1 517 1 . . 1 1 28 28 LYS H H . . . 1 1 28 28 LYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 28 LYS H . . A . 28 LYS HA . . . 28 . HN . . . . . 28 . HA . . rr_1i6f 1 518 1 . . 1 1 28 28 LYS H H . . . 1 1 28 28 LYS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 28 LYS H . . A . 28 LYS HB3 . . . 28 . HN . . . . . 28 . HB1 . . rr_1i6f 1 519 1 . . 1 1 28 28 LYS H H . . . 1 1 28 28 LYS HB2 H . . . . . 2.5 1.8 2.7 . . . . . A . 28 LYS H . . A . 28 LYS HB2 . . . 28 . HN . . . . . 28 . HB2 . . rr_1i6f 1 520 1 . . 1 1 28 28 LYS HB3 H . . . 1 1 28 28 LYS HA H . . . . . 2.5 1.8 2.7 . . . . . A . 28 LYS HB3 . . A . 28 LYS HA . . . 28 . HB1 . . . . . 28 . HA . . rr_1i6f 1 521 1 . . 1 1 28 28 LYS HB2 H . . . 1 1 28 28 LYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 28 LYS HB2 . . A . 28 LYS HA . . . 28 . HB2 . . . . . 28 . HA . . rr_1i6f 1 522 1 OR . 1 1 28 28 LYS HA H . . . 1 1 28 28 LYS HG2 H . . . . . 3.0 0.8 4.3 . . . . . A . 28 LYS HA . . A . 28 LYS HG2 . . . 28 . HA . . . . . 28 . HG# . . rr_1i6f 1 522 2 OR . 1 1 28 28 LYS HA H . . . 1 1 28 28 LYS HG3 H . . . . . 3.0 0.8 4.3 . . . . . A . 28 LYS HA . . A . 28 LYS HG3 . . . 28 . HA . . . . . 28 . HG# . . rr_1i6f 1 523 1 . . 1 1 29 29 LYS H H . . . 1 1 28 28 LYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 29 LYS H . . A . 28 LYS HA . . . 29 . HN . . . . . 28 . HA . . rr_1i6f 1 524 1 . . 1 1 28 28 LYS H H . . . 1 1 29 29 LYS H H . . . . . 3.0 1.8 3.3 . . . . . A . 28 LYS H . . A . 29 LYS H . . . 28 . HN . . . . . 29 . HN . . rr_1i6f 1 525 1 . . 1 1 28 28 LYS H H . . . 1 1 30 30 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 28 LYS H . . A . 30 ALA H . . . 28 . HN . . . . . 30 . HN . . rr_1i6f 1 526 1 . . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HA H . . . . . 2.3 1.8 2.5 . . . . . A . 29 LYS H . . A . 29 LYS HA . . . 29 . HN . . . . . 29 . HA . . rr_1i6f 1 527 1 . . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 29 LYS H . . A . 29 LYS HB3 . . . 29 . HN . . . . . 29 . HB1 . . rr_1i6f 1 528 1 . . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 29 LYS H . . A . 29 LYS HB2 . . . 29 . HN . . . . . 29 . HB2 . . rr_1i6f 1 529 1 . . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HG3 H . . . . . 4.0 1.8 5.0 . . . . . A . 29 LYS H . . A . 29 LYS HG3 . . . 29 . HN . . . . . 29 . HG1 . . rr_1i6f 1 530 1 . . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HG2 H . . . . . 4.0 1.8 5.0 . . . . . A . 29 LYS H . . A . 29 LYS HG2 . . . 29 . HN . . . . . 29 . HG2 . . rr_1i6f 1 531 1 . . 1 1 29 29 LYS HA H . . . 1 1 29 29 LYS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 29 LYS HA . . A . 29 LYS HB3 . . . 29 . HA . . . . . 29 . HB1 . . rr_1i6f 1 532 1 . . 1 1 29 29 LYS HA H . . . 1 1 29 29 LYS HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 29 LYS HA . . A . 29 LYS HB2 . . . 29 . HA . . . . . 29 . HB2 . . rr_1i6f 1 533 1 . . 1 1 29 29 LYS HA H . . . 1 1 29 29 LYS HG3 H . . . . . 4.0 1.8 5.0 . . . . . A . 29 LYS HA . . A . 29 LYS HG3 . . . 29 . HA . . . . . 29 . HG1 . . rr_1i6f 1 534 1 . . 1 1 29 29 LYS HA H . . . 1 1 29 29 LYS HG2 H . . . . . 4.0 1.8 5.0 . . . . . A . 29 LYS HA . . A . 29 LYS HG2 . . . 29 . HA . . . . . 29 . HG2 . . rr_1i6f 1 535 1 . . 1 1 30 30 ALA H H . . . 1 1 29 29 LYS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 30 ALA H . . A . 29 LYS HB3 . . . 30 . HN . . . . . 29 . HB1 . . rr_1i6f 1 536 1 . . 1 1 30 30 ALA H H . . . 1 1 29 29 LYS HA H . . . . . 3.0 1.8 3.3 . . . . . A . 30 ALA H . . A . 29 LYS HA . . . 30 . HN . . . . . 29 . HA . . rr_1i6f 1 537 1 . . 1 1 30 30 ALA H H . . . 1 1 29 29 LYS H H . . . . . 3.0 1.8 3.3 . . . . . A . 30 ALA H . . A . 29 LYS H . . . 30 . HN . . . . . 29 . HN . . rr_1i6f 1 538 1 . . 1 1 30 30 ALA H H . . . 1 1 30 30 ALA HA H . . . . . 4.0 1.8 5.0 . . . . . A . 30 ALA H . . A . 30 ALA HA . . . 30 . HN . . . . . 30 . HA . . rr_1i6f 1 539 1 . . 1 1 30 30 ALA MB H . . . 1 1 30 30 ALA H H . . . . . 2.5 0.8 3.7 . . . . . A . 30 ALA MB . . A . 30 ALA H . . . 30 . HB# . . . . . 30 . HN . . rr_1i6f 1 540 1 . . 1 1 30 30 ALA H H . . . 1 1 31 31 SER H H . . . . . 4.0 1.8 5.0 . . . . . A . 30 ALA H . . A . 31 SER H . . . 30 . HN . . . . . 31 . HN . . rr_1i6f 1 541 1 . . 1 1 31 31 SER H H . . . 1 1 30 30 ALA HA H . . . . . 2.5 1.8 2.7 . . . . . A . 31 SER H . . A . 30 ALA HA . . . 31 . HN . . . . . 30 . HA . . rr_1i6f 1 542 1 . . 1 1 30 30 ALA MB H . . . 1 1 31 31 SER H H . . . . . 2.5 1.1 3.4 . . . . . A . 30 ALA MB . . A . 31 SER H . . . 30 . HB# . . . . . 31 . HN . . rr_1i6f 1 543 1 . . 1 1 32 32 GLY H H . . . 1 1 30 30 ALA HA H . . . . . 4.0 1.8 5.0 . . . . . A . 32 GLY H . . A . 30 ALA HA . . . 32 . HN . . . . . 30 . HA . . rr_1i6f 1 544 1 . . 1 1 30 30 ALA MB H . . . 1 1 32 32 GLY H H . . . . . 3.0 0.9 4.4 . . . . . A . 30 ALA MB . . A . 32 GLY H . . . 30 . HB# . . . . . 32 . HN . . rr_1i6f 1 545 1 . . 1 1 30 30 ALA MB H . . . 1 1 42 42 CYS HA H . . . . . 4.0 0.7 6.1 . . . . . A . 30 ALA MB . . A . 42 CYS HA . . . 30 . HB# . . . . . 42 . HA . . rr_1i6f 1 546 1 . . 1 1 30 30 ALA MB H . . . 1 1 42 42 CYS HB3 H . . . . . 2.5 1.1 3.4 . . . . . A . 30 ALA MB . . A . 42 CYS HB3 . . . 30 . HB# . . . . . 42 . HB1 . . rr_1i6f 1 547 1 . . 1 1 30 30 ALA MB H . . . 1 1 42 42 CYS HB2 H . . . . . 2.5 1.1 3.4 . . . . . A . 30 ALA MB . . A . 42 CYS HB2 . . . 30 . HB# . . . . . 42 . HB2 . . rr_1i6f 1 548 1 . . 1 1 30 30 ALA MB H . . . 1 1 43 43 GLU H H . . . . . 4.0 0.7 6.1 . . . . . A . 30 ALA MB . . A . 43 GLU H . . . 30 . HB# . . . . . 43 . HN . . rr_1i6f 1 549 1 . . 1 1 44 44 GLY H H . . . 1 1 30 30 ALA MB H . . . . . 4.0 0.7 6.1 . . . . . A . 44 GLY H . . A . 30 ALA MB . . . 44 . HN . . . . . 30 . HB# . . rr_1i6f 1 550 1 . . 1 1 30 30 ALA H H . . . 1 1 45 45 LEU HA H . . . . . 4.0 1.8 5.0 . . . . . A . 30 ALA H . . A . 45 LEU HA . . . 30 . HN . . . . . 45 . HA . . rr_1i6f 1 551 1 . . 1 1 30 30 ALA HA H . . . 1 1 45 45 LEU HA H . . . . . 4.0 1.8 5.0 . . . . . A . 30 ALA HA . . A . 45 LEU HA . . . 30 . HA . . . . . 45 . HA . . rr_1i6f 1 552 1 OR . 1 1 30 30 ALA H H . . . 1 1 45 45 LEU MD1 H . . . . . 4.0 -0.8 7.6 . . . . . A . 30 ALA H . . A . 45 LEU MD1 . . . 30 . HN . . . . . 45 . HD# . . rr_1i6f 1 552 2 OR . 1 1 30 30 ALA H H . . . 1 1 45 45 LEU MD2 H . . . . . 4.0 -0.8 7.6 . . . . . A . 30 ALA H . . A . 45 LEU MD2 . . . 30 . HN . . . . . 45 . HD# . . rr_1i6f 1 553 1 . . 1 1 30 30 ALA MB H . . . 1 1 45 45 LEU MD1 H . . . . . 4.0 -0.4 7.2 . . . . . A . 30 ALA MB . . A . 45 LEU MD1 . . . 30 . HB# . . . . . 45 . HD1# . . rr_1i6f 1 554 1 . . 1 1 30 30 ALA MB H . . . 1 1 45 45 LEU MD2 H . . . . . 4.0 -0.4 7.2 . . . . . A . 30 ALA MB . . A . 45 LEU MD2 . . . 30 . HB# . . . . . 45 . HD2# . . rr_1i6f 1 555 1 OR . 1 1 30 30 ALA HA H . . . 1 1 46 46 PRO HD3 H . . . . . 4.0 0.8 6.0 . . . . . A . 30 ALA HA . . A . 46 PRO HD3 . . . 30 . HA . . . . . 46 . HD# . . rr_1i6f 1 555 2 OR . 1 1 30 30 ALA HA H . . . 1 1 46 46 PRO HD2 H . . . . . 4.0 0.8 6.0 . . . . . A . 30 ALA HA . . A . 46 PRO HD2 . . . 30 . HA . . . . . 46 . HD# . . rr_1i6f 1 556 1 . . 1 1 31 31 SER H H . . . 1 1 31 31 SER HA H . . . . . 3.0 1.8 3.3 . . . . . A . 31 SER H . . A . 31 SER HA . . . 31 . HN . . . . . 31 . HA . . rr_1i6f 1 557 1 OR . 1 1 31 31 SER H H . . . 1 1 31 31 SER HB2 H . . . . . 4.0 0.8 6.0 . . . . . A . 31 SER H . . A . 31 SER HB2 . . . 31 . HN . . . . . 31 . HB# . . rr_1i6f 1 557 2 OR . 1 1 31 31 SER H H . . . 1 1 31 31 SER HB3 H . . . . . 4.0 0.8 6.0 . . . . . A . 31 SER H . . A . 31 SER HB3 . . . 31 . HN . . . . . 31 . HB# . . rr_1i6f 1 558 1 . . 1 1 31 31 SER H H . . . 1 1 32 32 GLY H H . . . . . 2.5 1.8 2.7 . . . . . A . 31 SER H . . A . 32 GLY H . . . 31 . HN . . . . . 32 . HN . . rr_1i6f 1 559 1 . . 1 1 32 32 GLY H H . . . 1 1 31 31 SER HA H . . . . . 4.0 1.8 5.0 . . . . . A . 32 GLY H . . A . 31 SER HA . . . 32 . HN . . . . . 31 . HA . . rr_1i6f 1 560 1 OR . 1 1 32 32 GLY H H . . . 1 1 31 31 SER HB2 H . . . . . 3.0 0.8 4.3 . . . . . A . 32 GLY H . . A . 31 SER HB2 . . . 32 . HN . . . . . 31 . HB# . . rr_1i6f 1 560 2 OR . 1 1 32 32 GLY H H . . . 1 1 31 31 SER HB3 H . . . . . 3.0 0.8 4.3 . . . . . A . 32 GLY H . . A . 31 SER HB3 . . . 32 . HN . . . . . 31 . HB# . . rr_1i6f 1 561 1 . . 1 1 31 31 SER H H . . . 1 1 44 44 GLY HA3 H . . . . . 4.0 1.8 5.0 . . . . . A . 31 SER H . . A . 44 GLY HA3 . . . 31 . HN . . . . . 44 . HA1 . . rr_1i6f 1 562 1 . . 1 1 31 31 SER H H . . . 1 1 44 44 GLY HA3 H . . . . . 4.0 1.8 5.0 . . . . . A . 31 SER H . . A . 44 GLY HA3 . . . 31 . HN . . . . . 44 . HA1 . . rr_1i6f 1 563 1 . . 1 1 32 32 GLY H H . . . 1 1 32 32 GLY HA3 H . . . . . 3.0 1.8 3.3 . . . . . A . 32 GLY H . . A . 32 GLY HA3 . . . 32 . HN . . . . . 32 . HA1 . . rr_1i6f 1 564 1 . . 1 1 32 32 GLY H H . . . 1 1 32 32 GLY HA2 H . . . . . 3.0 1.8 3.3 . . . . . A . 32 GLY H . . A . 32 GLY HA2 . . . 32 . HN . . . . . 32 . HA2 . . rr_1i6f 1 565 1 . . 1 1 32 32 GLY HA3 H . . . 1 1 33 33 GLY H H . . . . . 4.0 1.8 5.0 . . . . . A . 32 GLY HA3 . . A . 33 GLY H . . . 32 . HA1 . . . . . 33 . HN . . rr_1i6f 1 566 1 . . 1 1 32 32 GLY HA2 H . . . 1 1 33 33 GLY H H . . . . . 4.0 1.8 5.0 . . . . . A . 32 GLY HA2 . . A . 33 GLY H . . . 32 . HA2 . . . . . 33 . HN . . rr_1i6f 1 567 1 . . 1 1 32 32 GLY H H . . . 1 1 42 42 CYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 32 GLY H . . A . 42 CYS HA . . . 32 . HN . . . . . 42 . HA . . rr_1i6f 1 568 1 . . 1 1 32 32 GLY H H . . . 1 1 42 42 CYS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 32 GLY H . . A . 42 CYS HB3 . . . 32 . HN . . . . . 42 . HB1 . . rr_1i6f 1 569 1 . . 1 1 32 32 GLY H H . . . 1 1 43 43 GLU H H . . . . . 3.0 1.8 3.3 . . . . . A . 32 GLY H . . A . 43 GLU H . . . 32 . HN . . . . . 43 . HN . . rr_1i6f 1 570 1 . . 1 1 32 32 GLY H H . . . 1 1 43 43 GLU HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 32 GLY H . . A . 43 GLU HB3 . . . 32 . HN . . . . . 43 . HB1 . . rr_1i6f 1 571 1 . . 1 1 32 32 GLY H H . . . 1 1 43 43 GLU HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 32 GLY H . . A . 43 GLU HB2 . . . 32 . HN . . . . . 43 . HB2 . . rr_1i6f 1 572 1 . . 1 1 44 44 GLY H H . . . 1 1 32 32 GLY H H . . . . . 4.0 1.8 5.0 . . . . . A . 44 GLY H . . A . 32 GLY H . . . 44 . HN . . . . . 32 . HN . . rr_1i6f 1 573 1 . . 1 1 33 33 GLY H H . . . 1 1 33 33 GLY HA3 H . . . . . 4.0 1.8 5.0 . . . . . A . 33 GLY H . . A . 33 GLY HA3 . . . 33 . HN . . . . . 33 . HA1 . . rr_1i6f 1 574 1 . . 1 1 33 33 GLY H H . . . 1 1 33 33 GLY HA2 H . . . . . 4.0 1.8 5.0 . . . . . A . 33 GLY H . . A . 33 GLY HA2 . . . 33 . HN . . . . . 33 . HA2 . . rr_1i6f 1 575 1 . . 1 1 34 34 HIS H H . . . 1 1 33 33 GLY HA3 H . . . . . 3.0 1.8 3.3 . . . . . A . 34 HIS H . . A . 33 GLY HA3 . . . 34 . HN . . . . . 33 . HA1 . . rr_1i6f 1 576 1 . . 1 1 34 34 HIS H H . . . 1 1 33 33 GLY HA2 H . . . . . 3.0 1.8 3.3 . . . . . A . 34 HIS H . . A . 33 GLY HA2 . . . 34 . HN . . . . . 33 . HA2 . . rr_1i6f 1 577 1 . . 1 1 42 42 CYS HA H . . . 1 1 33 33 GLY HA3 H . . . . . 4.0 1.8 5.0 . . . . . A . 42 CYS HA . . A . 33 GLY HA3 . . . 42 . HA . . . . . 33 . HA1 . . rr_1i6f 1 578 1 . . 1 1 42 42 CYS HA H . . . 1 1 33 33 GLY HA2 H . . . . . 4.0 1.8 5.0 . . . . . A . 42 CYS HA . . A . 33 GLY HA2 . . . 42 . HA . . . . . 33 . HA2 . . rr_1i6f 1 579 1 OR . 1 1 43 43 GLU H H . . . 1 1 33 33 GLY HA2 H . . . . . 4.0 0.8 6.0 . . . . . A . 43 GLU H . . A . 33 GLY HA2 . . . 43 . HN . . . . . 33 . HA# . . rr_1i6f 1 579 2 OR . 1 1 43 43 GLU H H . . . 1 1 33 33 GLY HA3 H . . . . . 4.0 0.8 6.0 . . . . . A . 43 GLU H . . A . 33 GLY HA3 . . . 43 . HN . . . . . 33 . HA# . . rr_1i6f 1 580 1 . . 1 1 34 34 HIS HA H . . . 1 1 34 34 HIS H H . . . . . 4.0 1.8 5.0 . . . . . A . 34 HIS HA . . A . 34 HIS H . . . 34 . HA . . . . . 34 . HN . . rr_1i6f 1 581 1 . . 1 1 34 34 HIS H H . . . 1 1 34 34 HIS HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 34 HIS H . . A . 34 HIS HB2 . . . 34 . HN . . . . . 34 . HB2 . . rr_1i6f 1 582 1 . . 1 1 34 34 HIS H H . . . 1 1 34 34 HIS HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 34 HIS H . . A . 34 HIS HB3 . . . 34 . HN . . . . . 34 . HB1 . . rr_1i6f 1 583 1 . . 1 1 34 34 HIS HA H . . . 1 1 34 34 HIS HB3 H . . . . . 2.5 1.8 2.7 . . . . . A . 34 HIS HA . . A . 34 HIS HB3 . . . 34 . HA . . . . . 34 . HB1 . . rr_1i6f 1 584 1 . . 1 1 34 34 HIS HA H . . . 1 1 34 34 HIS HB2 H . . . . . 2.5 1.8 2.7 . . . . . A . 34 HIS HA . . A . 34 HIS HB2 . . . 34 . HA . . . . . 34 . HB2 . . rr_1i6f 1 585 1 . . 1 1 35 35 CYS H H . . . 1 1 34 34 HIS H H . . . . . 4.0 1.8 5.0 . . . . . A . 35 CYS H . . A . 34 HIS H . . . 35 . HN . . . . . 34 . HN . . rr_1i6f 1 586 1 . . 1 1 34 34 HIS HA H . . . 1 1 35 35 CYS H H . . . . . 2.5 1.8 2.7 . . . . . A . 34 HIS HA . . A . 35 CYS H . . . 34 . HA . . . . . 35 . HN . . rr_1i6f 1 587 1 . . 1 1 35 35 CYS H H . . . 1 1 34 34 HIS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 35 CYS H . . A . 34 HIS HB3 . . . 35 . HN . . . . . 34 . HB1 . . rr_1i6f 1 588 1 . . 1 1 35 35 CYS H H . . . 1 1 34 34 HIS HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 35 CYS H . . A . 34 HIS HB2 . . . 35 . HN . . . . . 34 . HB2 . . rr_1i6f 1 589 1 . . 1 1 41 41 TYR H H . . . 1 1 34 34 HIS H H . . . . . 3.0 1.8 3.3 . . . . . A . 41 TYR H . . A . 34 HIS H . . . 41 . HN . . . . . 34 . HN . . rr_1i6f 1 590 1 OR . 1 1 34 34 HIS H H . . . 1 1 41 41 TYR HB3 H . . . . . 4.0 0.8 6.0 . . . . . A . 34 HIS H . . A . 41 TYR HB3 . . . 34 . HN . . . . . 41 . HB# . . rr_1i6f 1 590 2 OR . 1 1 41 41 TYR HB2 H . . . 1 1 34 34 HIS H H . . . . . 4.0 0.8 6.0 . . . . . A . 41 TYR HB2 . . A . 34 HIS H . . . 41 . HB# . . . . . 34 . HN . . rr_1i6f 1 591 1 . . 1 1 34 34 HIS HE1 H . . . 1 1 41 41 TYR HD1 H . . . . . 3.0 1.8 3.3 . . . . . A . 34 HIS HE1 . . A . 41 TYR HD1 . . . 34 . HE1 . . . . . 41 . HD1 . . rr_1i6f 1 592 1 . . 1 1 34 34 HIS H H . . . 1 1 42 42 CYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 34 HIS H . . A . 42 CYS HA . . . 34 . HN . . . . . 42 . HA . . rr_1i6f 1 593 1 . . 1 1 35 35 CYS H H . . . 1 1 35 35 CYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 35 CYS H . . A . 35 CYS HA . . . 35 . HN . . . . . 35 . HA . . rr_1i6f 1 594 1 . . 1 1 35 35 CYS H H . . . 1 1 35 35 CYS HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 35 CYS H . . A . 35 CYS HB3 . . . 35 . HN . . . . . 35 . HB1 . . rr_1i6f 1 595 1 . . 1 1 35 35 CYS H H . . . 1 1 35 35 CYS HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 35 CYS H . . A . 35 CYS HB2 . . . 35 . HN . . . . . 35 . HB2 . . rr_1i6f 1 596 1 . . 1 1 35 35 CYS HB3 H . . . 1 1 35 35 CYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 35 CYS HB3 . . A . 35 CYS HA . . . 35 . HB1 . . . . . 35 . HA . . rr_1i6f 1 597 1 . . 1 1 35 35 CYS HB2 H . . . 1 1 35 35 CYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 35 CYS HB2 . . A . 35 CYS HA . . . 35 . HB2 . . . . . 35 . HA . . rr_1i6f 1 598 1 . . 1 1 36 36 TYR H H . . . 1 1 35 35 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 36 TYR H . . A . 35 CYS H . . . 36 . HN . . . . . 35 . HN . . rr_1i6f 1 599 1 . . 1 1 36 36 TYR H H . . . 1 1 35 35 CYS HA H . . . . . 2.5 1.8 2.7 . . . . . A . 36 TYR H . . A . 35 CYS HA . . . 36 . HN . . . . . 35 . HA . . rr_1i6f 1 600 1 . . 1 1 35 35 CYS H H . . . 1 1 36 36 TYR QD H . . . . . 4.0 -0.2 7.0 . . . . . A . 35 CYS H . . A . 36 TYR QD . . . 35 . HN . . . . . 36 . HD# . . rr_1i6f 1 601 1 . . 1 1 39 39 SER H H . . . 1 1 35 35 CYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 39 SER H . . A . 35 CYS HA . . . 39 . HN . . . . . 35 . HA . . rr_1i6f 1 602 1 . . 1 1 35 35 CYS HA H . . . 1 1 40 40 CYS HA H . . . . . 3.0 1.8 3.3 . . . . . A . 35 CYS HA . . A . 40 CYS HA . . . 35 . HA . . . . . 40 . HA . . rr_1i6f 1 603 1 . . 1 1 40 40 CYS HB2 H . . . 1 1 35 35 CYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 40 CYS HB2 . . A . 35 CYS HA . . . 40 . HB2 . . . . . 35 . HA . . rr_1i6f 1 604 1 . . 1 1 41 41 TYR H H . . . 1 1 35 35 CYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 41 TYR H . . A . 35 CYS HA . . . 41 . HN . . . . . 35 . HA . . rr_1i6f 1 605 1 . . 1 1 36 36 TYR H H . . . 1 1 36 36 TYR HA H . . . . . 4.0 1.8 5.0 . . . . . A . 36 TYR H . . A . 36 TYR HA . . . 36 . HN . . . . . 36 . HA . . rr_1i6f 1 606 1 . . 1 1 36 36 TYR H H . . . 1 1 36 36 TYR HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 36 TYR H . . A . 36 TYR HB3 . . . 36 . HN . . . . . 36 . HB1 . . rr_1i6f 1 607 1 . . 1 1 36 36 TYR H H . . . 1 1 36 36 TYR HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 36 TYR H . . A . 36 TYR HB2 . . . 36 . HN . . . . . 36 . HB2 . . rr_1i6f 1 608 1 . . 1 1 36 36 TYR HA H . . . 1 1 36 36 TYR HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 36 TYR HA . . A . 36 TYR HB2 . . . 36 . HA . . . . . 36 . HB2 . . rr_1i6f 1 609 1 . . 1 1 36 36 TYR HA H . . . 1 1 36 36 TYR HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 36 TYR HA . . A . 36 TYR HB3 . . . 36 . HA . . . . . 36 . HB1 . . rr_1i6f 1 610 1 . . 1 1 36 36 TYR H H . . . 1 1 36 36 TYR QD H . . . . . 4.0 -0.2 7.0 . . . . . A . 36 TYR H . . A . 36 TYR QD . . . 36 . HN . . . . . 36 . HD# . . rr_1i6f 1 611 1 . . 1 1 36 36 TYR QD H . . . 1 1 36 36 TYR HA H . . . . . 2.5 -0.2 4.7 . . . . . A . 36 TYR QD . . A . 36 TYR HA . . . 36 . HD# . . . . . 36 . HA . . rr_1i6f 1 612 1 . . 1 1 36 36 TYR QD H . . . 1 1 36 36 TYR HB3 H . . . . . 2.5 -0.2 4.7 . . . . . A . 36 TYR QD . . A . 36 TYR HB3 . . . 36 . HD# . . . . . 36 . HB1 . . rr_1i6f 1 613 1 . . 1 1 36 36 TYR QD H . . . 1 1 36 36 TYR HB2 H . . . . . 2.5 -0.2 4.7 . . . . . A . 36 TYR QD . . A . 36 TYR HB2 . . . 36 . HD# . . . . . 36 . HB2 . . rr_1i6f 1 614 1 . . 1 1 36 36 TYR HA H . . . 1 1 37 37 ALA H H . . . . . 2.3 1.8 2.5 . . . . . A . 36 TYR HA . . A . 37 ALA H . . . 36 . HA . . . . . 37 . HN . . rr_1i6f 1 615 1 . . 1 1 37 37 ALA H H . . . 1 1 36 36 TYR HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 37 ALA H . . A . 36 TYR HB3 . . . 37 . HN . . . . . 36 . HB1 . . rr_1i6f 1 616 1 . . 1 1 37 37 ALA H H . . . 1 1 36 36 TYR HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 37 ALA H . . A . 36 TYR HB2 . . . 37 . HN . . . . . 36 . HB2 . . rr_1i6f 1 617 1 . . 1 1 36 36 TYR QD H . . . 1 1 37 37 ALA MB H . . . . . 4.0 -1.3 8.1 . . . . . A . 36 TYR QD . . A . 37 ALA MB . . . 36 . HD# . . . . . 37 . HB# . . rr_1i6f 1 618 1 . . 1 1 37 37 ALA MB H . . . 1 1 36 36 TYR QE H . . . . . 4.0 -1.3 8.1 . . . . . A . 37 ALA MB . . A . 36 TYR QE . . . 37 . HB# . . . . . 36 . HE# . . rr_1i6f 1 619 1 . . 1 1 36 36 TYR QD H . . . 1 1 37 37 ALA H H . . . . . 3.0 -0.2 5.3 . . . . . A . 36 TYR QD . . A . 37 ALA H . . . 36 . HD# . . . . . 37 . HN . . rr_1i6f 1 620 1 . . 1 1 36 36 TYR H H . . . 1 1 38 38 MET H H . . . . . 4.0 1.8 5.0 . . . . . A . 36 TYR H . . A . 38 MET H . . . 36 . HN . . . . . 38 . HN . . rr_1i6f 1 621 1 . . 1 1 36 36 TYR HA H . . . 1 1 38 38 MET H H . . . . . 4.0 1.8 5.0 . . . . . A . 36 TYR HA . . A . 38 MET H . . . 36 . HA . . . . . 38 . HN . . rr_1i6f 1 622 1 . . 1 1 39 39 SER H H . . . 1 1 36 36 TYR HA H . . . . . 4.0 1.8 5.0 . . . . . A . 39 SER H . . A . 36 TYR HA . . . 39 . HN . . . . . 36 . HA . . rr_1i6f 1 623 1 . . 1 1 36 36 TYR H H . . . 1 1 39 39 SER H H . . . . . 3.0 1.8 3.3 . . . . . A . 36 TYR H . . A . 39 SER H . . . 36 . HN . . . . . 39 . HN . . rr_1i6f 1 624 1 . . 1 1 36 36 TYR H H . . . 1 1 40 40 CYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 36 TYR H . . A . 40 CYS HA . . . 36 . HN . . . . . 40 . HA . . rr_1i6f 1 625 1 . . 1 1 36 36 TYR H H . . . 1 1 41 41 TYR H H . . . . . 4.0 1.8 5.0 . . . . . A . 36 TYR H . . A . 41 TYR H . . . 36 . HN . . . . . 41 . HN . . rr_1i6f 1 626 1 OR . 1 1 36 36 TYR H H . . . 1 1 41 41 TYR HB3 H . . . . . 4.0 0.8 6.0 . . . . . A . 36 TYR H . . A . 41 TYR HB3 . . . 36 . HN . . . . . 41 . HB# . . rr_1i6f 1 626 2 OR . 1 1 36 36 TYR H H . . . 1 1 41 41 TYR HB2 H . . . . . 4.0 0.8 6.0 . . . . . A . 36 TYR H . . A . 41 TYR HB2 . . . 36 . HN . . . . . 41 . HB# . . rr_1i6f 1 627 1 OR . 1 1 36 36 TYR HB3 H . . . 1 1 41 41 TYR HB3 H . . . . . 4.0 -0.2 7.0 . . . . . A . 36 TYR HB3 . . A . 41 TYR HB3 . . . 36 . HB# . . . . . 41 . HB# . . rr_1i6f 1 627 2 OR . 1 1 36 36 TYR HB2 H . . . 1 1 41 41 TYR HB3 H . . . . . 4.0 -0.2 7.0 . . . . . A . 36 TYR HB2 . . A . 41 TYR HB3 . . . 36 . HB# . . . . . 41 . HB# . . rr_1i6f 1 627 3 OR . 1 1 41 41 TYR HB2 H . . . 1 1 36 36 TYR HB3 H . . . . . 4.0 -0.2 7.0 . . . . . A . 41 TYR HB2 . . A . 36 TYR HB3 . . . 41 . HB# . . . . . 36 . HB# . . rr_1i6f 1 627 4 OR . 1 1 41 41 TYR HB2 H . . . 1 1 36 36 TYR HB2 H . . . . . 4.0 -0.2 7.0 . . . . . A . 41 TYR HB2 . . A . 36 TYR HB2 . . . 41 . HB# . . . . . 36 . HB# . . rr_1i6f 1 628 1 OR . 1 1 36 36 TYR QD H . . . 1 1 41 41 TYR HB3 H . . . . . 4.0 -1.2 8.0 . . . . . A . 36 TYR QD . . A . 41 TYR HB3 . . . 36 . HD# . . . . . 41 . HB# . . rr_1i6f 1 628 2 OR . 1 1 41 41 TYR HB2 H . . . 1 1 36 36 TYR QD H . . . . . 4.0 -1.2 8.0 . . . . . A . 41 TYR HB2 . . A . 36 TYR QD . . . 41 . HB# . . . . . 36 . HD# . . rr_1i6f 1 629 1 OR . 1 1 41 41 TYR HD1 H . . . 1 1 36 36 TYR QD H . . . . . 4.0 -2.2 9.0 . . . . . A . 41 TYR HD1 . . A . 36 TYR QD . . . 41 . HD# . . . . . 36 . HD# . . rr_1i6f 1 629 2 OR . 1 1 41 41 TYR HD2 H . . . 1 1 36 36 TYR QD H . . . . . 4.0 -2.2 9.0 . . . . . A . 41 TYR HD2 . . A . 36 TYR QD . . . 41 . HD# . . . . . 36 . HD# . . rr_1i6f 1 630 1 OR . 1 1 41 41 TYR HD1 H . . . 1 1 36 36 TYR QE H . . . . . 4.0 -2.2 9.0 . . . . . A . 41 TYR HD1 . . A . 36 TYR QE . . . 41 . HD# . . . . . 36 . HE# . . rr_1i6f 1 630 2 OR . 1 1 41 41 TYR HD2 H . . . 1 1 36 36 TYR QE H . . . . . 4.0 -2.2 9.0 . . . . . A . 41 TYR HD2 . . A . 36 TYR QE . . . 41 . HD# . . . . . 36 . HE# . . rr_1i6f 1 631 1 . . 1 1 37 37 ALA H H . . . 1 1 37 37 ALA HA H . . . . . 2.3 1.8 2.5 . . . . . A . 37 ALA H . . A . 37 ALA HA . . . 37 . HN . . . . . 37 . HA . . rr_1i6f 1 632 1 . . 1 1 37 37 ALA H H . . . 1 1 37 37 ALA MB H . . . . . 3.0 0.9 4.4 . . . . . A . 37 ALA H . . A . 37 ALA MB . . . 37 . HN . . . . . 37 . HB# . . rr_1i6f 1 633 1 . . 1 1 37 37 ALA H H . . . 1 1 38 38 MET H H . . . . . 4.0 1.8 5.0 . . . . . A . 37 ALA H . . A . 38 MET H . . . 37 . HN . . . . . 38 . HN . . rr_1i6f 1 634 1 . . 1 1 38 38 MET H H . . . 1 1 37 37 ALA HA H . . . . . 4.0 1.8 5.0 . . . . . A . 38 MET H . . A . 37 ALA HA . . . 38 . HN . . . . . 37 . HA . . rr_1i6f 1 635 1 . . 1 1 37 37 ALA MB H . . . 1 1 38 38 MET H H . . . . . 4.0 0.7 6.1 . . . . . A . 37 ALA MB . . A . 38 MET H . . . 37 . HB# . . . . . 38 . HN . . rr_1i6f 1 636 1 . . 1 1 39 39 SER H H . . . 1 1 37 37 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 39 SER H . . A . 37 ALA H . . . 39 . HN . . . . . 37 . HN . . rr_1i6f 1 637 1 . . 1 1 39 39 SER H H . . . 1 1 37 37 ALA MB H . . . . . 4.0 0.7 6.1 . . . . . A . 39 SER H . . A . 37 ALA MB . . . 39 . HN . . . . . 37 . HB# . . rr_1i6f 1 638 1 . . 1 1 38 38 MET H H . . . 1 1 38 38 MET HA H . . . . . 3.0 1.8 3.3 . . . . . A . 38 MET H . . A . 38 MET HA . . . 38 . HN . . . . . 38 . HA . . rr_1i6f 1 639 1 . . 1 1 38 38 MET H H . . . 1 1 38 38 MET HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 38 MET H . . A . 38 MET HB3 . . . 38 . HN . . . . . 38 . HB1 . . rr_1i6f 1 640 1 . . 1 1 38 38 MET H H . . . 1 1 38 38 MET HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 38 MET H . . A . 38 MET HB2 . . . 38 . HN . . . . . 38 . HB2 . . rr_1i6f 1 641 1 . . 1 1 38 38 MET HA H . . . 1 1 38 38 MET HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 38 MET HA . . A . 38 MET HB3 . . . 38 . HA . . . . . 38 . HB1 . . rr_1i6f 1 642 1 . . 1 1 38 38 MET HA H . . . 1 1 38 38 MET HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 38 MET HA . . A . 38 MET HB2 . . . 38 . HA . . . . . 38 . HB2 . . rr_1i6f 1 643 1 . . 1 1 39 39 SER H H . . . 1 1 38 38 MET HA H . . . . . 4.0 1.8 5.0 . . . . . A . 39 SER H . . A . 38 MET HA . . . 39 . HN . . . . . 38 . HA . . rr_1i6f 1 644 1 . . 1 1 39 39 SER H H . . . 1 1 38 38 MET H H . . . . . 3.0 1.8 3.3 . . . . . A . 39 SER H . . A . 38 MET H . . . 39 . HN . . . . . 38 . HN . . rr_1i6f 1 645 1 OR . 1 1 39 39 SER H H . . . 1 1 38 38 MET HB2 H . . . . . 4.0 0.8 6.0 . . . . . A . 39 SER H . . A . 38 MET HB2 . . . 39 . HN . . . . . 38 . HB# . . rr_1i6f 1 645 2 OR . 1 1 39 39 SER H H . . . 1 1 38 38 MET HB3 H . . . . . 4.0 0.8 6.0 . . . . . A . 39 SER H . . A . 38 MET HB3 . . . 39 . HN . . . . . 38 . HB# . . rr_1i6f 1 646 1 . . 1 1 39 39 SER H H . . . 1 1 39 39 SER HA H . . . . . 4.0 1.8 5.0 . . . . . A . 39 SER H . . A . 39 SER HA . . . 39 . HN . . . . . 39 . HA . . rr_1i6f 1 647 1 . . 1 1 39 39 SER HB3 H . . . 1 1 39 39 SER H H . . . . . 4.0 1.8 5.0 . . . . . A . 39 SER HB3 . . A . 39 SER H . . . 39 . HB1 . . . . . 39 . HN . . rr_1i6f 1 648 1 . . 1 1 39 39 SER HB2 H . . . 1 1 39 39 SER H H . . . . . 3.0 1.8 3.3 . . . . . A . 39 SER HB2 . . A . 39 SER H . . . 39 . HB2 . . . . . 39 . HN . . rr_1i6f 1 649 1 . . 1 1 39 39 SER HB2 H . . . 1 1 39 39 SER HA H . . . . . 4.0 1.8 5.0 . . . . . A . 39 SER HB2 . . A . 39 SER HA . . . 39 . HB2 . . . . . 39 . HA . . rr_1i6f 1 650 1 . . 1 1 39 39 SER HB3 H . . . 1 1 39 39 SER HA H . . . . . 3.0 1.8 3.3 . . . . . A . 39 SER HB3 . . A . 39 SER HA . . . 39 . HB1 . . . . . 39 . HA . . rr_1i6f 1 651 1 . . 1 1 39 39 SER HA H . . . 1 1 40 40 CYS H H . . . . . 2.3 1.8 2.5 . . . . . A . 39 SER HA . . A . 40 CYS H . . . 39 . HA . . . . . 40 . HN . . rr_1i6f 1 652 1 . . 1 1 39 39 SER HB3 H . . . 1 1 40 40 CYS H H . . . . . 3.0 1.8 3.3 . . . . . A . 39 SER HB3 . . A . 40 CYS H . . . 39 . HB1 . . . . . 40 . HN . . rr_1i6f 1 653 1 . . 1 1 39 39 SER HB2 H . . . 1 1 40 40 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 39 SER HB2 . . A . 40 CYS H . . . 39 . HB2 . . . . . 40 . HN . . rr_1i6f 1 654 1 . . 1 1 40 40 CYS H H . . . 1 1 40 40 CYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 40 CYS H . . A . 40 CYS HA . . . 40 . HN . . . . . 40 . HA . . rr_1i6f 1 655 1 . . 1 1 40 40 CYS H H . . . 1 1 40 40 CYS HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 40 CYS H . . A . 40 CYS HB3 . . . 40 . HN . . . . . 40 . HB1 . . rr_1i6f 1 656 1 . . 1 1 40 40 CYS H H . . . 1 1 40 40 CYS HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 40 CYS H . . A . 40 CYS HB2 . . . 40 . HN . . . . . 40 . HB2 . . rr_1i6f 1 657 1 . . 1 1 40 40 CYS HA H . . . 1 1 40 40 CYS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 40 CYS HA . . A . 40 CYS HB3 . . . 40 . HA . . . . . 40 . HB1 . . rr_1i6f 1 658 1 . . 1 1 40 40 CYS HB2 H . . . 1 1 40 40 CYS HA H . . . . . 3.0 1.8 3.3 . . . . . A . 40 CYS HB2 . . A . 40 CYS HA . . . 40 . HB2 . . . . . 40 . HA . . rr_1i6f 1 659 1 . . 1 1 41 41 TYR H H . . . 1 1 40 40 CYS HA H . . . . . 2.3 1.8 2.5 . . . . . A . 41 TYR H . . A . 40 CYS HA . . . 41 . HN . . . . . 40 . HA . . rr_1i6f 1 660 1 . . 1 1 41 41 TYR H H . . . 1 1 40 40 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 41 TYR H . . A . 40 CYS H . . . 41 . HN . . . . . 40 . HN . . rr_1i6f 1 661 1 . . 1 1 41 41 TYR H H . . . 1 1 40 40 CYS HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 41 TYR H . . A . 40 CYS HB2 . . . 41 . HN . . . . . 40 . HB2 . . rr_1i6f 1 662 1 . . 1 1 41 41 TYR HA H . . . 1 1 41 41 TYR H H . . . . . 4.0 1.8 5.0 . . . . . A . 41 TYR HA . . A . 41 TYR H . . . 41 . HA . . . . . 41 . HN . . rr_1i6f 1 663 1 . . 1 1 41 41 TYR H H . . . 1 1 41 41 TYR HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 41 TYR H . . A . 41 TYR HB3 . . . 41 . HN . . . . . 41 . HB1 . . rr_1i6f 1 664 1 . . 1 1 41 41 TYR H H . . . 1 1 41 41 TYR HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 41 TYR H . . A . 41 TYR HB2 . . . 41 . HN . . . . . 41 . HB2 . . rr_1i6f 1 665 1 . . 1 1 41 41 TYR HA H . . . 1 1 41 41 TYR HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 41 TYR HA . . A . 41 TYR HB3 . . . 41 . HA . . . . . 41 . HB1 . . rr_1i6f 1 666 1 . . 1 1 41 41 TYR HA H . . . 1 1 41 41 TYR HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 41 TYR HA . . A . 41 TYR HB2 . . . 41 . HA . . . . . 41 . HB2 . . rr_1i6f 1 667 1 OR . 1 1 41 41 TYR H H . . . 1 1 41 41 TYR HD1 H . . . . . 4.0 -0.2 7.0 . . . . . A . 41 TYR H . . A . 41 TYR HD1 . . . 41 . HN . . . . . 41 . HD# . . rr_1i6f 1 667 2 OR . 1 1 41 41 TYR HD2 H . . . 1 1 41 41 TYR H H . . . . . 4.0 -0.2 7.0 . . . . . A . 41 TYR HD2 . . A . 41 TYR H . . . 41 . HD# . . . . . 41 . HN . . rr_1i6f 1 668 1 OR . 1 1 41 41 TYR HD1 H . . . 1 1 41 41 TYR HB3 H . . . . . 3.0 -0.2 5.3 . . . . . A . 41 TYR HD1 . . A . 41 TYR HB3 . . . 41 . HD# . . . . . 41 . HB1 . . rr_1i6f 1 668 2 OR . 1 1 41 41 TYR HD2 H . . . 1 1 41 41 TYR HB3 H . . . . . 3.0 -0.2 5.3 . . . . . A . 41 TYR HD2 . . A . 41 TYR HB3 . . . 41 . HD# . . . . . 41 . HB1 . . rr_1i6f 1 669 1 OR . 1 1 41 41 TYR HB2 H . . . 1 1 41 41 TYR HD1 H . . . . . 3.0 -0.2 5.3 . . . . . A . 41 TYR HB2 . . A . 41 TYR HD1 . . . 41 . HB2 . . . . . 41 . HD# . . rr_1i6f 1 669 2 OR . 1 1 41 41 TYR HD2 H . . . 1 1 41 41 TYR HB2 H . . . . . 3.0 -0.2 5.3 . . . . . A . 41 TYR HD2 . . A . 41 TYR HB2 . . . 41 . HD# . . . . . 41 . HB2 . . rr_1i6f 1 670 1 OR . 1 1 41 41 TYR HA H . . . 1 1 41 41 TYR HD1 H . . . . . 3.0 -0.2 5.3 . . . . . A . 41 TYR HA . . A . 41 TYR HD1 . . . 41 . HA . . . . . 41 . HD# . . rr_1i6f 1 670 2 OR . 1 1 41 41 TYR HA H . . . 1 1 41 41 TYR HD2 H . . . . . 3.0 -0.2 5.3 . . . . . A . 41 TYR HA . . A . 41 TYR HD2 . . . 41 . HA . . . . . 41 . HD# . . rr_1i6f 1 671 1 . . 1 1 42 42 CYS H H . . . 1 1 41 41 TYR HA H . . . . . 2.3 1.8 2.5 . . . . . A . 42 CYS H . . A . 41 TYR HA . . . 42 . HN . . . . . 41 . HA . . rr_1i6f 1 672 1 OR . 1 1 42 42 CYS H H . . . 1 1 41 41 TYR HB3 H . . . . . 4.0 0.8 6.0 . . . . . A . 42 CYS H . . A . 41 TYR HB3 . . . 42 . HN . . . . . 41 . HB# . . rr_1i6f 1 672 2 OR . 1 1 42 42 CYS H H . . . 1 1 41 41 TYR HB2 H . . . . . 4.0 0.8 6.0 . . . . . A . 42 CYS H . . A . 41 TYR HB2 . . . 42 . HN . . . . . 41 . HB# . . rr_1i6f 1 673 1 OR . 1 1 42 42 CYS H H . . . 1 1 41 41 TYR HD1 H . . . . . 3.0 -0.2 5.3 . . . . . A . 42 CYS H . . A . 41 TYR HD1 . . . 42 . HN . . . . . 41 . HD# . . rr_1i6f 1 673 2 OR . 1 1 42 42 CYS H H . . . 1 1 41 41 TYR HD2 H . . . . . 3.0 -0.2 5.3 . . . . . A . 42 CYS H . . A . 41 TYR HD2 . . . 42 . HN . . . . . 41 . HD# . . rr_1i6f 1 674 1 OR . 1 1 41 41 TYR HE1 H . . . 1 1 42 42 CYS H H . . . . . 4.0 -0.2 7.0 . . . . . A . 41 TYR HE1 . . A . 42 CYS H . . . 41 . HE# . . . . . 42 . HN . . rr_1i6f 1 674 2 OR . 1 1 42 42 CYS H H . . . 1 1 41 41 TYR HE2 H . . . . . 4.0 -0.2 7.0 . . . . . A . 42 CYS H . . A . 41 TYR HE2 . . . 42 . HN . . . . . 41 . HE# . . rr_1i6f 1 675 1 . . 1 1 42 42 CYS H H . . . 1 1 42 42 CYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 42 CYS H . . A . 42 CYS HA . . . 42 . HN . . . . . 42 . HA . . rr_1i6f 1 676 1 . . 1 1 42 42 CYS H H . . . 1 1 42 42 CYS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 42 CYS H . . A . 42 CYS HB3 . . . 42 . HN . . . . . 42 . HB1 . . rr_1i6f 1 677 1 . . 1 1 42 42 CYS H H . . . 1 1 42 42 CYS HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 42 CYS H . . A . 42 CYS HB2 . . . 42 . HN . . . . . 42 . HB2 . . rr_1i6f 1 678 1 . . 1 1 42 42 CYS HA H . . . 1 1 42 42 CYS HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 42 CYS HA . . A . 42 CYS HB2 . . . 42 . HA . . . . . 42 . HB2 . . rr_1i6f 1 679 1 . . 1 1 42 42 CYS H H . . . 1 1 43 43 GLU H H . . . . . 4.0 1.8 5.0 . . . . . A . 42 CYS H . . A . 43 GLU H . . . 42 . HN . . . . . 43 . HN . . rr_1i6f 1 680 1 . . 1 1 42 42 CYS HA H . . . 1 1 43 43 GLU H H . . . . . 2.3 1.8 2.5 . . . . . A . 42 CYS HA . . A . 43 GLU H . . . 42 . HA . . . . . 43 . HN . . rr_1i6f 1 681 1 . . 1 1 42 42 CYS HB3 H . . . 1 1 43 43 GLU H H . . . . . 3.0 1.8 3.3 . . . . . A . 42 CYS HB3 . . A . 43 GLU H . . . 42 . HB1 . . . . . 43 . HN . . rr_1i6f 1 682 1 . . 1 1 42 42 CYS HB2 H . . . 1 1 43 43 GLU H H . . . . . 4.0 1.8 5.0 . . . . . A . 42 CYS HB2 . . A . 43 GLU H . . . 42 . HB2 . . . . . 43 . HN . . rr_1i6f 1 683 1 . . 1 1 42 42 CYS HB3 H . . . 1 1 45 45 LEU MD1 H . . . . . 4.0 0.7 6.1 . . . . . A . 42 CYS HB3 . . A . 45 LEU MD1 . . . 42 . HB1 . . . . . 45 . HD1# . . rr_1i6f 1 684 1 . . 1 1 42 42 CYS HB3 H . . . 1 1 45 45 LEU MD2 H . . . . . 4.0 0.7 6.1 . . . . . A . 42 CYS HB3 . . A . 45 LEU MD2 . . . 42 . HB1 . . . . . 45 . HD2# . . rr_1i6f 1 685 1 . . 1 1 42 42 CYS HB2 H . . . 1 1 45 45 LEU MD1 H . . . . . 4.0 0.7 6.1 . . . . . A . 42 CYS HB2 . . A . 45 LEU MD1 . . . 42 . HB2 . . . . . 45 . HD1# . . rr_1i6f 1 686 1 . . 1 1 42 42 CYS HB2 H . . . 1 1 45 45 LEU MD2 H . . . . . 4.0 0.7 6.1 . . . . . A . 42 CYS HB2 . . A . 45 LEU MD2 . . . 42 . HB2 . . . . . 45 . HD2# . . rr_1i6f 1 687 1 . . 1 1 43 43 GLU HA H . . . 1 1 43 43 GLU H H . . . . . 4.0 1.8 5.0 . . . . . A . 43 GLU HA . . A . 43 GLU H . . . 43 . HA . . . . . 43 . HN . . rr_1i6f 1 688 1 . . 1 1 43 43 GLU H H . . . 1 1 43 43 GLU HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 43 GLU H . . A . 43 GLU HB3 . . . 43 . HN . . . . . 43 . HB1 . . rr_1i6f 1 689 1 . . 1 1 43 43 GLU H H . . . 1 1 43 43 GLU HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 43 GLU H . . A . 43 GLU HB2 . . . 43 . HN . . . . . 43 . HB2 . . rr_1i6f 1 690 1 OR . 1 1 43 43 GLU H H . . . 1 1 43 43 GLU HG2 H . . . . . 4.0 0.8 6.0 . . . . . A . 43 GLU H . . A . 43 GLU HG2 . . . 43 . HN . . . . . 43 . HG# . . rr_1i6f 1 690 2 OR . 1 1 43 43 GLU H H . . . 1 1 43 43 GLU HG3 H . . . . . 4.0 0.8 6.0 . . . . . A . 43 GLU H . . A . 43 GLU HG3 . . . 43 . HN . . . . . 43 . HG# . . rr_1i6f 1 691 1 . . 1 1 43 43 GLU HA H . . . 1 1 43 43 GLU HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 43 GLU HA . . A . 43 GLU HB3 . . . 43 . HA . . . . . 43 . HB1 . . rr_1i6f 1 692 1 . . 1 1 43 43 GLU HA H . . . 1 1 43 43 GLU HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 43 GLU HA . . A . 43 GLU HB2 . . . 43 . HA . . . . . 43 . HB2 . . rr_1i6f 1 693 1 . . 1 1 44 44 GLY H H . . . 1 1 43 43 GLU H H . . . . . 4.0 1.8 5.0 . . . . . A . 44 GLY H . . A . 43 GLU H . . . 44 . HN . . . . . 43 . HN . . rr_1i6f 1 694 1 . . 1 1 43 43 GLU HA H . . . 1 1 44 44 GLY H H . . . . . 2.3 1.8 2.5 . . . . . A . 43 GLU HA . . A . 44 GLY H . . . 43 . HA . . . . . 44 . HN . . rr_1i6f 1 695 1 . . 1 1 44 44 GLY H H . . . 1 1 43 43 GLU HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 44 GLY H . . A . 43 GLU HB3 . . . 44 . HN . . . . . 43 . HB1 . . rr_1i6f 1 696 1 . . 1 1 44 44 GLY H H . . . 1 1 43 43 GLU HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 44 GLY H . . A . 43 GLU HB2 . . . 44 . HN . . . . . 43 . HB2 . . rr_1i6f 1 697 1 . . 1 1 43 43 GLU HA H . . . 1 1 45 45 LEU H H . . . . . 4.0 1.8 5.0 . . . . . A . 43 GLU HA . . A . 45 LEU H . . . 43 . HA . . . . . 45 . HN . . rr_1i6f 1 698 1 . . 1 1 44 44 GLY H H . . . 1 1 44 44 GLY HA3 H . . . . . 3.0 1.8 3.3 . . . . . A . 44 GLY H . . A . 44 GLY HA3 . . . 44 . HN . . . . . 44 . HA1 . . rr_1i6f 1 699 1 . . 1 1 44 44 GLY H H . . . 1 1 44 44 GLY HA2 H . . . . . 3.0 1.8 3.3 . . . . . A . 44 GLY H . . A . 44 GLY HA2 . . . 44 . HN . . . . . 44 . HA2 . . rr_1i6f 1 700 1 . . 1 1 45 45 LEU H H . . . 1 1 44 44 GLY HA3 H . . . . . 4.0 1.8 5.0 . . . . . A . 45 LEU H . . A . 44 GLY HA3 . . . 45 . HN . . . . . 44 . HA1 . . rr_1i6f 1 701 1 . . 1 1 45 45 LEU H H . . . 1 1 44 44 GLY HA2 H . . . . . 4.0 1.8 5.0 . . . . . A . 45 LEU H . . A . 44 GLY HA2 . . . 45 . HN . . . . . 44 . HA2 . . rr_1i6f 1 702 1 . . 1 1 44 44 GLY H H . . . 1 1 45 45 LEU H H . . . . . 3.0 1.8 3.3 . . . . . A . 44 GLY H . . A . 45 LEU H . . . 44 . HN . . . . . 45 . HN . . rr_1i6f 1 703 1 . . 1 1 45 45 LEU H H . . . 1 1 45 45 LEU HA H . . . . . 4.0 1.8 5.0 . . . . . A . 45 LEU H . . A . 45 LEU HA . . . 45 . HN . . . . . 45 . HA . . rr_1i6f 1 704 1 . . 1 1 45 45 LEU H H . . . 1 1 45 45 LEU HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 45 LEU H . . A . 45 LEU HB3 . . . 45 . HN . . . . . 45 . HB1 . . rr_1i6f 1 705 1 . . 1 1 45 45 LEU H H . . . 1 1 45 45 LEU HB2 H . . . . . 2.3 1.8 2.5 . . . . . A . 45 LEU H . . A . 45 LEU HB2 . . . 45 . HN . . . . . 45 . HB2 . . rr_1i6f 1 706 1 . . 1 1 45 45 LEU H H . . . 1 1 45 45 LEU HG H . . . . . 3.0 1.8 3.3 . . . . . A . 45 LEU H . . A . 45 LEU HG . . . 45 . HN . . . . . 45 . HG . . rr_1i6f 1 707 1 . . 1 1 45 45 LEU H H . . . 1 1 45 45 LEU MD1 H . . . . . 3.0 0.9 4.2 . . . . . A . 45 LEU H . . A . 45 LEU MD1 . . . 45 . HN . . . . . 45 . HD1# . . rr_1i6f 1 708 1 . . 1 1 45 45 LEU H H . . . 1 1 45 45 LEU MD2 H . . . . . 4.0 0.7 6.1 . . . . . A . 45 LEU H . . A . 45 LEU MD2 . . . 45 . HN . . . . . 45 . HD2# . . rr_1i6f 1 709 1 . . 1 1 45 45 LEU HA H . . . 1 1 45 45 LEU HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 45 LEU HA . . A . 45 LEU HB3 . . . 45 . HA . . . . . 45 . HB1 . . rr_1i6f 1 710 1 . . 1 1 45 45 LEU HA H . . . 1 1 45 45 LEU HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 45 LEU HA . . A . 45 LEU HB2 . . . 45 . HA . . . . . 45 . HB2 . . rr_1i6f 1 711 1 . . 1 1 45 45 LEU HA H . . . 1 1 45 45 LEU HG H . . . . . 4.0 1.8 5.0 . . . . . A . 45 LEU HA . . A . 45 LEU HG . . . 45 . HA . . . . . 45 . HG . . rr_1i6f 1 712 1 . . 1 1 45 45 LEU HA H . . . 1 1 45 45 LEU MD1 H . . . . . 4.0 0.7 6.1 . . . . . A . 45 LEU HA . . A . 45 LEU MD1 . . . 45 . HA . . . . . 45 . HD1# . . rr_1i6f 1 713 1 . . 1 1 45 45 LEU HA H . . . 1 1 45 45 LEU MD2 H . . . . . 2.3 0.9 3.2 . . . . . A . 45 LEU HA . . A . 45 LEU MD2 . . . 45 . HA . . . . . 45 . HD2# . . rr_1i6f 1 714 1 . . 1 1 45 45 LEU HA H . . . 1 1 46 46 PRO HD3 H . . . . . 3.0 1.8 3.3 . . . . . A . 45 LEU HA . . A . 46 PRO HD3 . . . 45 . HA . . . . . 46 . HD1 . . rr_1i6f 1 715 1 . . 1 1 45 45 LEU HA H . . . 1 1 46 46 PRO HD2 H . . . . . 3.0 1.8 3.3 . . . . . A . 45 LEU HA . . A . 46 PRO HD2 . . . 45 . HA . . . . . 46 . HD2 . . rr_1i6f 1 716 1 . . 1 1 45 45 LEU HG H . . . 1 1 46 46 PRO HD3 H . . . . . 4.0 0.8 6.0 . . . . . A . 45 LEU HG . . A . 46 PRO HD3 . . . 45 . HG . . . . . 46 . HD1 . . rr_1i6f 1 717 1 . . 1 1 46 46 PRO HD2 H . . . 1 1 45 45 LEU HG H . . . . . 4.0 0.8 6.0 . . . . . A . 46 PRO HD2 . . A . 45 LEU HG . . . 46 . HD2 . . . . . 45 . HG . . rr_1i6f 1 718 1 . . 1 1 45 45 LEU MD2 H . . . 1 1 46 46 PRO HD3 H . . . . . 3.0 0.9 4.2 . . . . . A . 45 LEU MD2 . . A . 46 PRO HD3 . . . 45 . HD2# . . . . . 46 . HD1 . . rr_1i6f 1 719 1 . . 1 1 45 45 LEU MD2 H . . . 1 1 46 46 PRO HD2 H . . . . . 3.0 0.9 4.2 . . . . . A . 45 LEU MD2 . . A . 46 PRO HD2 . . . 45 . HD2# . . . . . 46 . HD2 . . rr_1i6f 1 720 1 . . 1 1 45 45 LEU H H . . . 1 1 46 46 PRO HD3 H . . . . . 4.0 1.8 5.0 . . . . . A . 45 LEU H . . A . 46 PRO HD3 . . . 45 . HN . . . . . 46 . HD1 . . rr_1i6f 1 721 1 . . 1 1 45 45 LEU H H . . . 1 1 46 46 PRO HD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 45 LEU H . . A . 46 PRO HD2 . . . 45 . HN . . . . . 46 . HD2 . . rr_1i6f 1 722 1 . . 1 1 46 46 PRO HA H . . . 1 1 46 46 PRO HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 46 PRO HA . . A . 46 PRO HB3 . . . 46 . HA . . . . . 46 . HB1 . . rr_1i6f 1 723 1 . . 1 1 46 46 PRO HA H . . . 1 1 46 46 PRO HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 46 PRO HA . . A . 46 PRO HB2 . . . 46 . HA . . . . . 46 . HB2 . . rr_1i6f 1 724 1 OR . 1 1 46 46 PRO HA H . . . 1 1 46 46 PRO HG2 H . . . . . 4.0 0.8 6.0 . . . . . A . 46 PRO HA . . A . 46 PRO HG2 . . . 46 . HA . . . . . 46 . HG# . . rr_1i6f 1 724 2 OR . 1 1 46 46 PRO HA H . . . 1 1 46 46 PRO HG3 H . . . . . 4.0 0.8 6.0 . . . . . A . 46 PRO HA . . A . 46 PRO HG3 . . . 46 . HA . . . . . 46 . HG# . . rr_1i6f 1 725 1 . . 1 1 46 46 PRO HB3 H . . . 1 1 46 46 PRO HD3 H . . . . . 4.0 1.8 5.0 . . . . . A . 46 PRO HB3 . . A . 46 PRO HD3 . . . 46 . HB1 . . . . . 46 . HD1 . . rr_1i6f 1 726 1 . . 1 1 46 46 PRO HD2 H . . . 1 1 46 46 PRO HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 46 PRO HD2 . . A . 46 PRO HB3 . . . 46 . HD2 . . . . . 46 . HB1 . . rr_1i6f 1 727 1 . . 1 1 46 46 PRO HB2 H . . . 1 1 46 46 PRO HD3 H . . . . . 4.0 1.8 5.0 . . . . . A . 46 PRO HB2 . . A . 46 PRO HD3 . . . 46 . HB2 . . . . . 46 . HD1 . . rr_1i6f 1 728 1 . . 1 1 46 46 PRO HD2 H . . . 1 1 46 46 PRO HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 46 PRO HD2 . . A . 46 PRO HB2 . . . 46 . HD2 . . . . . 46 . HB2 . . rr_1i6f 1 729 1 OR . 1 1 46 46 PRO HG3 H . . . 1 1 46 46 PRO HD3 H . . . . . 3.0 0.8 4.3 . . . . . A . 46 PRO HG3 . . A . 46 PRO HD3 . . . 46 . HG# . . . . . 46 . HD1 . . rr_1i6f 1 729 2 OR . 1 1 46 46 PRO HD3 H . . . 1 1 46 46 PRO HG2 H . . . . . 3.0 0.8 4.3 . . . . . A . 46 PRO HD3 . . A . 46 PRO HG2 . . . 46 . HD1 . . . . . 46 . HG# . . rr_1i6f 1 730 1 OR . 1 1 46 46 PRO HD2 H . . . 1 1 46 46 PRO HG3 H . . . . . 3.0 0.8 4.3 . . . . . A . 46 PRO HD2 . . A . 46 PRO HG3 . . . 46 . HD2 . . . . . 46 . HG# . . rr_1i6f 1 730 2 OR . 1 1 46 46 PRO HD2 H . . . 1 1 46 46 PRO HG2 H . . . . . 3.0 0.8 4.3 . . . . . A . 46 PRO HD2 . . A . 46 PRO HG2 . . . 46 . HD2 . . . . . 46 . HG# . . rr_1i6f 1 731 1 . . 1 1 46 46 PRO HA H . . . 1 1 47 47 GLU H H . . . . . 2.5 1.8 2.7 . . . . . A . 46 PRO HA . . A . 47 GLU H . . . 46 . HA . . . . . 47 . HN . . rr_1i6f 1 732 1 . . 1 1 46 46 PRO HB3 H . . . 1 1 47 47 GLU H H . . . . . 4.0 1.8 5.0 . . . . . A . 46 PRO HB3 . . A . 47 GLU H . . . 46 . HB1 . . . . . 47 . HN . . rr_1i6f 1 733 1 . . 1 1 46 46 PRO HB2 H . . . 1 1 47 47 GLU H H . . . . . 4.0 1.8 5.0 . . . . . A . 46 PRO HB2 . . A . 47 GLU H . . . 46 . HB2 . . . . . 47 . HN . . rr_1i6f 1 734 1 OR . 1 1 47 47 GLU H H . . . 1 1 46 46 PRO HG2 H . . . . . 4.0 0.8 6.0 . . . . . A . 47 GLU H . . A . 46 PRO HG2 . . . 47 . HN . . . . . 46 . HG# . . rr_1i6f 1 734 2 OR . 1 1 46 46 PRO HG3 H . . . 1 1 47 47 GLU H H . . . . . 4.0 0.8 6.0 . . . . . A . 46 PRO HG3 . . A . 47 GLU H . . . 46 . HG# . . . . . 47 . HN . . rr_1i6f 1 735 1 . . 1 1 46 46 PRO HA H . . . 1 1 48 48 ASN H H . . . . . 4.0 1.8 5.0 . . . . . A . 46 PRO HA . . A . 48 ASN H . . . 46 . HA . . . . . 48 . HN . . rr_1i6f 1 736 1 . . 1 1 46 46 PRO HB3 H . . . 1 1 48 48 ASN H H . . . . . 4.0 1.8 5.0 . . . . . A . 46 PRO HB3 . . A . 48 ASN H . . . 46 . HB1 . . . . . 48 . HN . . rr_1i6f 1 737 1 . . 1 1 46 46 PRO HB2 H . . . 1 1 48 48 ASN H H . . . . . 4.0 1.8 5.0 . . . . . A . 46 PRO HB2 . . A . 48 ASN H . . . 46 . HB2 . . . . . 48 . HN . . rr_1i6f 1 738 1 OR . 1 1 48 48 ASN H H . . . 1 1 46 46 PRO HG2 H . . . . . 4.0 0.8 6.0 . . . . . A . 48 ASN H . . A . 46 PRO HG2 . . . 48 . HN . . . . . 46 . HG# . . rr_1i6f 1 738 2 OR . 1 1 46 46 PRO HG3 H . . . 1 1 48 48 ASN H H . . . . . 4.0 0.8 6.0 . . . . . A . 46 PRO HG3 . . A . 48 ASN H . . . 46 . HG# . . . . . 48 . HN . . rr_1i6f 1 739 1 . . 1 1 46 46 PRO HB3 H . . . 1 1 49 49 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 46 PRO HB3 . . A . 49 ALA H . . . 46 . HB1 . . . . . 49 . HN . . rr_1i6f 1 740 1 . . 1 1 46 46 PRO HB2 H . . . 1 1 49 49 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 46 PRO HB2 . . A . 49 ALA H . . . 46 . HB2 . . . . . 49 . HN . . rr_1i6f 1 741 1 OR . 1 1 49 49 ALA H H . . . 1 1 46 46 PRO HG2 H . . . . . 4.0 0.8 6.0 . . . . . A . 49 ALA H . . A . 46 PRO HG2 . . . 49 . HN . . . . . 46 . HG# . . rr_1i6f 1 741 2 OR . 1 1 46 46 PRO HG3 H . . . 1 1 49 49 ALA H H . . . . . 4.0 0.8 6.0 . . . . . A . 46 PRO HG3 . . A . 49 ALA H . . . 46 . HG# . . . . . 49 . HN . . rr_1i6f 1 742 1 . . 1 1 47 47 GLU HA H . . . 1 1 47 47 GLU H H . . . . . 3.0 1.8 3.3 . . . . . A . 47 GLU HA . . A . 47 GLU H . . . 47 . HA . . . . . 47 . HN . . rr_1i6f 1 743 1 . . 1 1 47 47 GLU H H . . . 1 1 47 47 GLU HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 47 GLU H . . A . 47 GLU HB3 . . . 47 . HN . . . . . 47 . HB1 . . rr_1i6f 1 744 1 . . 1 1 47 47 GLU H H . . . 1 1 47 47 GLU HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 47 GLU H . . A . 47 GLU HB2 . . . 47 . HN . . . . . 47 . HB2 . . rr_1i6f 1 745 1 OR . 1 1 47 47 GLU H H . . . 1 1 47 47 GLU HG2 H . . . . . 3.0 0.8 4.3 . . . . . A . 47 GLU H . . A . 47 GLU HG2 . . . 47 . HN . . . . . 47 . HG# . . rr_1i6f 1 745 2 OR . 1 1 47 47 GLU H H . . . 1 1 47 47 GLU HG3 H . . . . . 3.0 0.8 4.3 . . . . . A . 47 GLU H . . A . 47 GLU HG3 . . . 47 . HN . . . . . 47 . HG# . . rr_1i6f 1 746 1 . . 1 1 47 47 GLU HA H . . . 1 1 47 47 GLU HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 47 GLU HA . . A . 47 GLU HB3 . . . 47 . HA . . . . . 47 . HB1 . . rr_1i6f 1 747 1 . . 1 1 47 47 GLU HA H . . . 1 1 47 47 GLU HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 47 GLU HA . . A . 47 GLU HB2 . . . 47 . HA . . . . . 47 . HB2 . . rr_1i6f 1 748 1 . . 1 1 48 48 ASN H H . . . 1 1 47 47 GLU HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 48 ASN H . . A . 47 GLU HB3 . . . 48 . HN . . . . . 47 . HB1 . . rr_1i6f 1 749 1 . . 1 1 48 48 ASN H H . . . 1 1 47 47 GLU HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 48 ASN H . . A . 47 GLU HB2 . . . 48 . HN . . . . . 47 . HB2 . . rr_1i6f 1 750 1 OR . 1 1 48 48 ASN H H . . . 1 1 47 47 GLU HG2 H . . . . . 4.0 0.8 6.0 . . . . . A . 48 ASN H . . A . 47 GLU HG2 . . . 48 . HN . . . . . 47 . HG# . . rr_1i6f 1 750 2 OR . 1 1 48 48 ASN H H . . . 1 1 47 47 GLU HG3 H . . . . . 4.0 0.8 6.0 . . . . . A . 48 ASN H . . A . 47 GLU HG3 . . . 48 . HN . . . . . 47 . HG# . . rr_1i6f 1 751 1 . . 1 1 47 47 GLU H H . . . 1 1 48 48 ASN H H . . . . . 3.0 1.8 3.3 . . . . . A . 47 GLU H . . A . 48 ASN H . . . 47 . HN . . . . . 48 . HN . . rr_1i6f 1 752 1 . . 1 1 47 47 GLU HA H . . . 1 1 48 48 ASN H H . . . . . 4.0 1.8 5.0 . . . . . A . 47 GLU HA . . A . 48 ASN H . . . 47 . HA . . . . . 48 . HN . . rr_1i6f 1 753 1 . . 1 1 47 47 GLU H H . . . 1 1 49 49 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 47 GLU H . . A . 49 ALA H . . . 47 . HN . . . . . 49 . HN . . rr_1i6f 1 754 1 . . 1 1 47 47 GLU HA H . . . 1 1 49 49 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 47 GLU HA . . A . 49 ALA H . . . 47 . HA . . . . . 49 . HN . . rr_1i6f 1 755 1 . . 1 1 48 48 ASN H H . . . 1 1 48 48 ASN HA H . . . . . 3.0 1.8 3.3 . . . . . A . 48 ASN H . . A . 48 ASN HA . . . 48 . HN . . . . . 48 . HA . . rr_1i6f 1 756 1 . . 1 1 48 48 ASN H H . . . 1 1 48 48 ASN HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 48 ASN H . . A . 48 ASN HB3 . . . 48 . HN . . . . . 48 . HB1 . . rr_1i6f 1 757 1 . . 1 1 48 48 ASN H H . . . 1 1 48 48 ASN HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 48 ASN H . . A . 48 ASN HB2 . . . 48 . HN . . . . . 48 . HB2 . . rr_1i6f 1 758 1 . . 1 1 48 48 ASN HA H . . . 1 1 48 48 ASN HB3 H . . . . . 2.5 1.8 2.7 . . . . . A . 48 ASN HA . . A . 48 ASN HB3 . . . 48 . HA . . . . . 48 . HB1 . . rr_1i6f 1 759 1 . . 1 1 48 48 ASN HA H . . . 1 1 48 48 ASN HB2 H . . . . . 2.5 1.8 2.7 . . . . . A . 48 ASN HA . . A . 48 ASN HB2 . . . 48 . HA . . . . . 48 . HB2 . . rr_1i6f 1 760 1 . . 1 1 49 49 ALA H H . . . 1 1 48 48 ASN HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 49 ALA H . . A . 48 ASN HB3 . . . 49 . HN . . . . . 48 . HB1 . . rr_1i6f 1 761 1 . . 1 1 49 49 ALA H H . . . 1 1 48 48 ASN HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 49 ALA H . . A . 48 ASN HB2 . . . 49 . HN . . . . . 48 . HB2 . . rr_1i6f 1 762 1 . . 1 1 49 49 ALA H H . . . 1 1 48 48 ASN HA H . . . . . 3.0 1.8 3.3 . . . . . A . 49 ALA H . . A . 48 ASN HA . . . 49 . HN . . . . . 48 . HA . . rr_1i6f 1 763 1 . . 1 1 48 48 ASN H H . . . 1 1 49 49 ALA H H . . . . . 2.5 1.8 2.7 . . . . . A . 48 ASN H . . A . 49 ALA H . . . 48 . HN . . . . . 49 . HN . . rr_1i6f 1 764 1 . . 1 1 49 49 ALA MB H . . . 1 1 48 48 ASN H H . . . . . 4.0 0.7 6.1 . . . . . A . 49 ALA MB . . A . 48 ASN H . . . 49 . HB# . . . . . 48 . HN . . rr_1i6f 1 765 1 . . 1 1 49 49 ALA H H . . . 1 1 49 49 ALA HA H . . . . . 3.0 1.8 3.3 . . . . . A . 49 ALA H . . A . 49 ALA HA . . . 49 . HN . . . . . 49 . HA . . rr_1i6f 1 766 1 . . 1 1 49 49 ALA MB H . . . 1 1 49 49 ALA H H . . . . . 2.5 1.1 3.4 . . . . . A . 49 ALA MB . . A . 49 ALA H . . . 49 . HB# . . . . . 49 . HN . . rr_1i6f 1 767 1 . . 1 1 49 49 ALA HA H . . . 1 1 50 50 LYS H H . . . . . 2.5 1.8 2.7 . . . . . A . 49 ALA HA . . A . 50 LYS H . . . 49 . HA . . . . . 50 . HN . . rr_1i6f 1 768 1 . . 1 1 49 49 ALA MB H . . . 1 1 50 50 LYS H H . . . . . 2.5 1.1 3.4 . . . . . A . 49 ALA MB . . A . 50 LYS H . . . 49 . HB# . . . . . 50 . HN . . rr_1i6f 1 769 1 . . 1 1 49 49 ALA H H . . . 1 1 50 50 LYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 49 ALA H . . A . 50 LYS H . . . 49 . HN . . . . . 50 . HN . . rr_1i6f 1 770 1 . . 1 1 49 49 ALA MB H . . . 1 1 51 51 VAL H H . . . . . 4.0 0.7 6.1 . . . . . A . 49 ALA MB . . A . 51 VAL H . . . 49 . HB# . . . . . 51 . HN . . rr_1i6f 1 771 1 . . 1 1 51 51 VAL MG1 H . . . 1 1 49 49 ALA H H . . . . . 4.0 0.7 6.1 . . . . . A . 51 VAL MG1 . . A . 49 ALA H . . . 51 . HG1# . . . . . 49 . HN . . rr_1i6f 1 772 1 . . 1 1 51 51 VAL MG2 H . . . 1 1 49 49 ALA H H . . . . . 4.0 0.7 6.1 . . . . . A . 51 VAL MG2 . . A . 49 ALA H . . . 51 . HG2# . . . . . 49 . HN . . rr_1i6f 1 773 1 . . 1 1 50 50 LYS H H . . . 1 1 50 50 LYS HA H . . . . . 3.0 1.8 3.3 . . . . . A . 50 LYS H . . A . 50 LYS HA . . . 50 . HN . . . . . 50 . HA . . rr_1i6f 1 774 1 . . 1 1 50 50 LYS H H . . . 1 1 50 50 LYS HB3 H . . . . . 3.0 0.8 4.3 . . . . . A . 50 LYS H . . A . 50 LYS HB3 . . . 50 . HN . . . . . 50 . HB1 . . rr_1i6f 1 775 1 . . 1 1 50 50 LYS HB2 H . . . 1 1 50 50 LYS H H . . . . . 3.0 0.8 4.3 . . . . . A . 50 LYS HB2 . . A . 50 LYS H . . . 50 . HB2 . . . . . 50 . HN . . rr_1i6f 1 776 1 . . 1 1 50 50 LYS HA H . . . 1 1 50 50 LYS HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 50 LYS HA . . A . 50 LYS HB3 . . . 50 . HA . . . . . 50 . HB1 . . rr_1i6f 1 777 1 . . 1 1 50 50 LYS HB2 H . . . 1 1 50 50 LYS HA H . . . . . 3.0 1.8 3.3 . . . . . A . 50 LYS HB2 . . A . 50 LYS HA . . . 50 . HB2 . . . . . 50 . HA . . rr_1i6f 1 778 1 . . 1 1 50 50 LYS HG3 H . . . 1 1 50 50 LYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 50 LYS HG3 . . A . 50 LYS HA . . . 50 . HG1 . . . . . 50 . HA . . rr_1i6f 1 779 1 . . 1 1 50 50 LYS HG2 H . . . 1 1 50 50 LYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 50 LYS HG2 . . A . 50 LYS HA . . . 50 . HG2 . . . . . 50 . HA . . rr_1i6f 1 780 1 . . 1 1 51 51 VAL H H . . . 1 1 50 50 LYS HA H . . . . . 2.3 1.8 2.5 . . . . . A . 51 VAL H . . A . 50 LYS HA . . . 51 . HN . . . . . 50 . HA . . rr_1i6f 1 781 1 OR . 1 1 51 51 VAL H H . . . 1 1 50 50 LYS HB3 H . . . . . 4.0 0.8 6.0 . . . . . A . 51 VAL H . . A . 50 LYS HB3 . . . 51 . HN . . . . . 50 . HB# . . rr_1i6f 1 781 2 OR . 1 1 50 50 LYS HB2 H . . . 1 1 51 51 VAL H H . . . . . 4.0 0.8 6.0 . . . . . A . 50 LYS HB2 . . A . 51 VAL H . . . 50 . HB# . . . . . 51 . HN . . rr_1i6f 1 782 1 . . 1 1 51 51 VAL HA H . . . 1 1 51 51 VAL H H . . . . . 3.0 1.8 3.3 . . . . . A . 51 VAL HA . . A . 51 VAL H . . . 51 . HA . . . . . 51 . HN . . rr_1i6f 1 783 1 . . 1 1 51 51 VAL HB H . . . 1 1 51 51 VAL H H . . . . . 4.0 1.8 5.0 . . . . . A . 51 VAL HB . . A . 51 VAL H . . . 51 . HB . . . . . 51 . HN . . rr_1i6f 1 784 1 . . 1 1 51 51 VAL MG2 H . . . 1 1 51 51 VAL H H . . . . . 2.5 1.1 3.4 . . . . . A . 51 VAL MG2 . . A . 51 VAL H . . . 51 . HG2# . . . . . 51 . HN . . rr_1i6f 1 785 1 . . 1 1 51 51 VAL MG1 H . . . 1 1 51 51 VAL H H . . . . . 4.0 0.7 6.1 . . . . . A . 51 VAL MG1 . . A . 51 VAL H . . . 51 . HG1# . . . . . 51 . HN . . rr_1i6f 1 786 1 . . 1 1 51 51 VAL HB H . . . 1 1 51 51 VAL HA H . . . . . 2.5 1.8 2.7 . . . . . A . 51 VAL HB . . A . 51 VAL HA . . . 51 . HB . . . . . 51 . HA . . rr_1i6f 1 787 1 . . 1 1 51 51 VAL MG2 H . . . 1 1 51 51 VAL HA H . . . . . 4.0 0.7 6.1 . . . . . A . 51 VAL MG2 . . A . 51 VAL HA . . . 51 . HG2# . . . . . 51 . HA . . rr_1i6f 1 788 1 . . 1 1 51 51 VAL MG1 H . . . 1 1 51 51 VAL HA H . . . . . 2.5 1.1 3.4 . . . . . A . 51 VAL MG1 . . A . 51 VAL HA . . . 51 . HG1# . . . . . 51 . HA . . rr_1i6f 1 789 1 . . 1 1 51 51 VAL MG2 H . . . 1 1 52 52 SER H H . . . . . 4.0 0.7 6.1 . . . . . A . 51 VAL MG2 . . A . 52 SER H . . . 51 . HG2# . . . . . 52 . HN . . rr_1i6f 1 790 1 . . 1 1 51 51 VAL MG1 H . . . 1 1 52 52 SER H H . . . . . 4.0 0.7 6.1 . . . . . A . 51 VAL MG1 . . A . 52 SER H . . . 51 . HG1# . . . . . 52 . HN . . rr_1i6f 1 791 1 . . 1 1 51 51 VAL HA H . . . 1 1 52 52 SER H H . . . . . 2.3 1.8 2.5 . . . . . A . 51 VAL HA . . A . 52 SER H . . . 51 . HA . . . . . 52 . HN . . rr_1i6f 1 792 1 . . 1 1 51 51 VAL HB H . . . 1 1 52 52 SER H H . . . . . 2.3 1.8 2.5 . . . . . A . 51 VAL HB . . A . 52 SER H . . . 51 . HB . . . . . 52 . HN . . rr_1i6f 1 793 1 . . 1 1 52 52 SER H H . . . 1 1 52 52 SER HA H . . . . . 3.0 1.8 3.3 . . . . . A . 52 SER H . . A . 52 SER HA . . . 52 . HN . . . . . 52 . HA . . rr_1i6f 1 794 1 . . 1 1 52 52 SER HB3 H . . . 1 1 52 52 SER H H . . . . . 3.0 1.8 3.3 . . . . . A . 52 SER HB3 . . A . 52 SER H . . . 52 . HB1 . . . . . 52 . HN . . rr_1i6f 1 795 1 . . 1 1 52 52 SER H H . . . 1 1 52 52 SER HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 52 SER H . . A . 52 SER HB2 . . . 52 . HN . . . . . 52 . HB2 . . rr_1i6f 1 796 1 . . 1 1 52 52 SER HB3 H . . . 1 1 52 52 SER HA H . . . . . 4.0 1.8 5.0 . . . . . A . 52 SER HB3 . . A . 52 SER HA . . . 52 . HB1 . . . . . 52 . HA . . rr_1i6f 1 797 1 . . 1 1 52 52 SER HB2 H . . . 1 1 52 52 SER HA H . . . . . 3.0 1.8 3.3 . . . . . A . 52 SER HB2 . . A . 52 SER HA . . . 52 . HB2 . . . . . 52 . HA . . rr_1i6f 1 798 1 . . 1 1 52 52 SER HA H . . . 1 1 53 53 ASP H H . . . . . 2.3 1.8 2.5 . . . . . A . 52 SER HA . . A . 53 ASP H . . . 52 . HA . . . . . 53 . HN . . rr_1i6f 1 799 1 . . 1 1 52 52 SER HB3 H . . . 1 1 53 53 ASP H H . . . . . 4.0 1.8 5.0 . . . . . A . 52 SER HB3 . . A . 53 ASP H . . . 52 . HB1 . . . . . 53 . HN . . rr_1i6f 1 800 1 . . 1 1 52 52 SER HB2 H . . . 1 1 53 53 ASP H H . . . . . 4.0 1.8 5.0 . . . . . A . 52 SER HB2 . . A . 53 ASP H . . . 52 . HB2 . . . . . 53 . HN . . rr_1i6f 1 801 1 . . 1 1 53 53 ASP HA H . . . 1 1 53 53 ASP H H . . . . . 4.0 1.8 5.0 . . . . . A . 53 ASP HA . . A . 53 ASP H . . . 53 . HA . . . . . 53 . HN . . rr_1i6f 1 802 1 . . 1 1 53 53 ASP H H . . . 1 1 53 53 ASP HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 53 ASP H . . A . 53 ASP HB3 . . . 53 . HN . . . . . 53 . HB1 . . rr_1i6f 1 803 1 . . 1 1 53 53 ASP H H . . . 1 1 53 53 ASP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 53 ASP H . . A . 53 ASP HB2 . . . 53 . HN . . . . . 53 . HB2 . . rr_1i6f 1 804 1 . . 1 1 53 53 ASP HA H . . . 1 1 53 53 ASP HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 53 ASP HA . . A . 53 ASP HB3 . . . 53 . HA . . . . . 53 . HB1 . . rr_1i6f 1 805 1 . . 1 1 53 53 ASP HA H . . . 1 1 53 53 ASP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 53 ASP HA . . A . 53 ASP HB2 . . . 53 . HA . . . . . 53 . HB2 . . rr_1i6f 1 806 1 . . 1 1 54 54 SER H H . . . 1 1 53 53 ASP HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 54 SER H . . A . 53 ASP HB3 . . . 54 . HN . . . . . 53 . HB1 . . rr_1i6f 1 807 1 . . 1 1 54 54 SER H H . . . 1 1 53 53 ASP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 54 SER H . . A . 53 ASP HB2 . . . 54 . HN . . . . . 53 . HB2 . . rr_1i6f 1 808 1 . . 1 1 53 53 ASP HA H . . . 1 1 54 54 SER H H . . . . . 3.0 1.8 3.3 . . . . . A . 53 ASP HA . . A . 54 SER H . . . 53 . HA . . . . . 54 . HN . . rr_1i6f 1 809 1 . . 1 1 54 54 SER H H . . . 1 1 53 53 ASP H H . . . . . 3.0 1.8 3.3 . . . . . A . 54 SER H . . A . 53 ASP H . . . 54 . HN . . . . . 53 . HN . . rr_1i6f 1 810 1 . . 1 1 54 54 SER H H . . . 1 1 54 54 SER HA H . . . . . 3.0 1.8 3.3 . . . . . A . 54 SER H . . A . 54 SER HA . . . 54 . HN . . . . . 54 . HA . . rr_1i6f 1 811 1 . . 1 1 54 54 SER H H . . . 1 1 54 54 SER HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 54 SER H . . A . 54 SER HB3 . . . 54 . HN . . . . . 54 . HB1 . . rr_1i6f 1 812 1 . . 1 1 54 54 SER H H . . . 1 1 54 54 SER HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 54 SER H . . A . 54 SER HB2 . . . 54 . HN . . . . . 54 . HB2 . . rr_1i6f 1 813 1 . . 1 1 54 54 SER HA H . . . 1 1 54 54 SER HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 54 SER HA . . A . 54 SER HB3 . . . 54 . HA . . . . . 54 . HB1 . . rr_1i6f 1 814 1 . . 1 1 54 54 SER HA H . . . 1 1 54 54 SER HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 54 SER HA . . A . 54 SER HB2 . . . 54 . HA . . . . . 54 . HB2 . . rr_1i6f 1 815 1 . . 1 1 54 54 SER HB3 H . . . 1 1 55 55 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 54 SER HB3 . . A . 55 ALA H . . . 54 . HB1 . . . . . 55 . HN . . rr_1i6f 1 816 1 . . 1 1 54 54 SER HB2 H . . . 1 1 55 55 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 54 SER HB2 . . A . 55 ALA H . . . 54 . HB2 . . . . . 55 . HN . . rr_1i6f 1 817 1 . . 1 1 54 54 SER HA H . . . 1 1 55 55 ALA H H . . . . . 3.0 1.8 3.3 . . . . . A . 54 SER HA . . A . 55 ALA H . . . 54 . HA . . . . . 55 . HN . . rr_1i6f 1 818 1 . . 1 1 54 54 SER H H . . . 1 1 55 55 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 54 SER H . . A . 55 ALA H . . . 54 . HN . . . . . 55 . HN . . rr_1i6f 1 819 1 . . 1 1 54 54 SER H H . . . 1 1 56 56 THR H H . . . . . 4.0 1.8 5.0 . . . . . A . 54 SER H . . A . 56 THR H . . . 54 . HN . . . . . 56 . HN . . rr_1i6f 1 820 1 . . 1 1 54 54 SER HA H . . . 1 1 56 56 THR H H . . . . . 4.0 1.8 5.0 . . . . . A . 54 SER HA . . A . 56 THR H . . . 54 . HA . . . . . 56 . HN . . rr_1i6f 1 821 1 . . 1 1 55 55 ALA H H . . . 1 1 55 55 ALA HA H . . . . . 4.0 1.8 5.0 . . . . . A . 55 ALA H . . A . 55 ALA HA . . . 55 . HN . . . . . 55 . HA . . rr_1i6f 1 822 1 . . 1 1 55 55 ALA MB H . . . 1 1 55 55 ALA H H . . . . . 3.0 0.9 4.4 . . . . . A . 55 ALA MB . . A . 55 ALA H . . . 55 . HB# . . . . . 55 . HN . . rr_1i6f 1 823 1 . . 1 1 55 55 ALA MB H . . . 1 1 56 56 THR H H . . . . . 4.0 0.7 6.1 . . . . . A . 55 ALA MB . . A . 56 THR H . . . 55 . HB# . . . . . 56 . HN . . rr_1i6f 1 824 1 . . 1 1 55 55 ALA H H . . . 1 1 56 56 THR H H . . . . . 2.5 1.8 2.7 . . . . . A . 55 ALA H . . A . 56 THR H . . . 55 . HN . . . . . 56 . HN . . rr_1i6f 1 825 1 . . 1 1 56 56 THR H H . . . 1 1 55 55 ALA HA H . . . . . 4.0 1.8 5.0 . . . . . A . 56 THR H . . A . 55 ALA HA . . . 56 . HN . . . . . 55 . HA . . rr_1i6f 1 826 1 . . 1 1 56 56 THR H H . . . 1 1 56 56 THR HA H . . . . . 4.0 1.8 5.0 . . . . . A . 56 THR H . . A . 56 THR HA . . . 56 . HN . . . . . 56 . HA . . rr_1i6f 1 827 1 . . 1 1 56 56 THR H H . . . 1 1 56 56 THR HB H . . . . . 4.0 1.8 5.0 . . . . . A . 56 THR H . . A . 56 THR HB . . . 56 . HN . . . . . 56 . HB . . rr_1i6f 1 828 1 . . 1 1 56 56 THR H H . . . 1 1 56 56 THR MG H . . . . . 4.0 0.7 6.1 . . . . . A . 56 THR H . . A . 56 THR MG . . . 56 . HN . . . . . 56 . HG2# . . rr_1i6f 1 829 1 . . 1 1 56 56 THR MG H . . . 1 1 57 57 ASN H H . . . . . 4.0 0.7 6.1 . . . . . A . 56 THR MG . . A . 57 ASN H . . . 56 . HG2# . . . . . 57 . HN . . rr_1i6f 1 830 1 . . 1 1 56 56 THR H H . . . 1 1 57 57 ASN H H . . . . . 4.0 1.8 5.0 . . . . . A . 56 THR H . . A . 57 ASN H . . . 56 . HN . . . . . 57 . HN . . rr_1i6f 1 831 1 . . 1 1 56 56 THR HA H . . . 1 1 57 57 ASN H H . . . . . 2.5 1.8 2.7 . . . . . A . 56 THR HA . . A . 57 ASN H . . . 56 . HA . . . . . 57 . HN . . rr_1i6f 1 832 1 . . 1 1 56 56 THR HB H . . . 1 1 57 57 ASN H H . . . . . 4.0 1.8 5.0 . . . . . A . 56 THR HB . . A . 57 ASN H . . . 56 . HB . . . . . 57 . HN . . rr_1i6f 1 833 1 . . 1 1 57 57 ASN H H . . . 1 1 57 57 ASN HA H . . . . . 4.0 1.8 5.0 . . . . . A . 57 ASN H . . A . 57 ASN HA . . . 57 . HN . . . . . 57 . HA . . rr_1i6f 1 834 1 . . 1 1 57 57 ASN H H . . . 1 1 57 57 ASN HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 57 ASN H . . A . 57 ASN HB3 . . . 57 . HN . . . . . 57 . HB1 . . rr_1i6f 1 835 1 . . 1 1 57 57 ASN H H . . . 1 1 57 57 ASN HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 57 ASN H . . A . 57 ASN HB2 . . . 57 . HN . . . . . 57 . HB2 . . rr_1i6f 1 836 1 . . 1 1 57 57 ASN HA H . . . 1 1 57 57 ASN HB3 H . . . . . 2.5 1.8 2.7 . . . . . A . 57 ASN HA . . A . 57 ASN HB3 . . . 57 . HA . . . . . 57 . HB1 . . rr_1i6f 1 837 1 . . 1 1 57 57 ASN HA H . . . 1 1 57 57 ASN HB2 H . . . . . 2.5 1.8 2.7 . . . . . A . 57 ASN HA . . A . 57 ASN HB2 . . . 57 . HA . . . . . 57 . HB2 . . rr_1i6f 1 838 1 . . 1 1 57 57 ASN H H . . . 1 1 58 58 ILE H H . . . . . 4.0 1.8 5.0 . . . . . A . 57 ASN H . . A . 58 ILE H . . . 57 . HN . . . . . 58 . HN . . rr_1i6f 1 839 1 . . 1 1 57 57 ASN HA H . . . 1 1 58 58 ILE H H . . . . . 2.5 1.8 2.7 . . . . . A . 57 ASN HA . . A . 58 ILE H . . . 57 . HA . . . . . 58 . HN . . rr_1i6f 1 840 1 . . 1 1 58 58 ILE H H . . . 1 1 58 58 ILE HA H . . . . . 3.0 1.8 3.3 . . . . . A . 58 ILE H . . A . 58 ILE HA . . . 58 . HN . . . . . 58 . HA . . rr_1i6f 1 841 1 . . 1 1 58 58 ILE H H . . . 1 1 58 58 ILE HB H . . . . . 3.0 1.8 3.3 . . . . . A . 58 ILE H . . A . 58 ILE HB . . . 58 . HN . . . . . 58 . HB . . rr_1i6f 1 842 1 . . 1 1 58 58 ILE H H . . . 1 1 58 58 ILE MG H . . . . . 3.0 0.9 4.4 . . . . . A . 58 ILE H . . A . 58 ILE MG . . . 58 . HN . . . . . 58 . HG2# . . rr_1i6f 1 843 1 . . 1 1 58 58 ILE HA H . . . 1 1 58 58 ILE HB H . . . . . 3.0 1.8 3.3 . . . . . A . 58 ILE HA . . A . 58 ILE HB . . . 58 . HA . . . . . 58 . HB . . rr_1i6f 1 844 1 . . 1 1 58 58 ILE HA H . . . 1 1 58 58 ILE MG H . . . . . 3.0 0.9 4.4 . . . . . A . 58 ILE HA . . A . 58 ILE MG . . . 58 . HA . . . . . 58 . HG2# . . rr_1i6f 1 845 1 . . 1 1 58 58 ILE HA H . . . 1 1 58 58 ILE MD H . . . . . 4.0 0.7 6.1 . . . . . A . 58 ILE HA . . A . 58 ILE MD . . . 58 . HA . . . . . 58 . HD1# . . rr_1i6f 1 846 1 . . 1 1 59 59 CYS H H . . . 1 1 58 58 ILE HA H . . . . . 2.5 1.8 2.7 . . . . . A . 59 CYS H . . A . 58 ILE HA . . . 59 . HN . . . . . 58 . HA . . rr_1i6f 1 847 1 . . 1 1 59 59 CYS H H . . . 1 1 58 58 ILE HB H . . . . . 4.0 1.8 5.0 . . . . . A . 59 CYS H . . A . 58 ILE HB . . . 59 . HN . . . . . 58 . HB . . rr_1i6f 1 848 1 . . 1 1 59 59 CYS H H . . . 1 1 58 58 ILE MG H . . . . . 4.0 0.7 6.1 . . . . . A . 59 CYS H . . A . 58 ILE MG . . . 59 . HN . . . . . 58 . HG2# . . rr_1i6f 1 849 1 . . 1 1 59 59 CYS H H . . . 1 1 59 59 CYS HA H . . . . . 3.0 1.8 3.3 . . . . . A . 59 CYS H . . A . 59 CYS HA . . . 59 . HN . . . . . 59 . HA . . rr_1i6f 1 850 1 OR . 1 1 59 59 CYS H H . . . 1 1 59 59 CYS HB2 H . . . . . 4.0 0.8 6.0 . . . . . A . 59 CYS H . . A . 59 CYS HB2 . . . 59 . HN . . . . . 59 . HB# . . rr_1i6f 1 850 2 OR . 1 1 59 59 CYS H H . . . 1 1 59 59 CYS HB3 H . . . . . 4.0 0.8 6.0 . . . . . A . 59 CYS H . . A . 59 CYS HB3 . . . 59 . HN . . . . . 59 . HB# . . rr_1i6f 1 851 1 . . 1 1 59 59 CYS HA H . . . 1 1 60 60 GLY H H . . . . . 3.0 1.8 3.3 . . . . . A . 59 CYS HA . . A . 60 GLY H . . . 59 . HA . . . . . 60 . HN . . rr_1i6f 1 852 1 OR . 1 1 60 60 GLY H H . . . 1 1 59 59 CYS HB2 H . . . . . 3.0 0.8 4.3 . . . . . A . 60 GLY H . . A . 59 CYS HB2 . . . 60 . HN . . . . . 59 . HB# . . rr_1i6f 1 852 2 OR . 1 1 59 59 CYS HB3 H . . . 1 1 60 60 GLY H H . . . . . 3.0 0.8 4.3 . . . . . A . 59 CYS HB3 . . A . 60 GLY H . . . 59 . HB# . . . . . 60 . HN . . rr_1i6f 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 !K1 1 1 1 5 rr_1i6f 1 2 '!D2 t2g3, DF=B1' 25 1 25 17 rr_1i6f 1 3 !G3 44 1 44 5 rr_1i6f 1 4 '!Tyr4 t2g3 UF=B1' 61 1 61 19 rr_1i6f 1 5 !P5 127 1 127 6 rr_1i6f 1 6 '!Val6 g- UF=HG2' 148 1 148 19 rr_1i6f 1 7 '!D7 UF=B1' 192 1 192 12 rr_1i6f 1 8 '!S8 g2g3 DF=B1 based on HB1/K9HN' 207 1 207 34 rr_1i6f 1 9 !K9 219 1 219 6 rr_1i6f 1 10 !G10 233 1 233 7 rr_1i6f 1 11 '!Cys11 t2g3 UF=B1' 239 1 239 19 rr_1i6f 1 12 '!K12 08jan99 set to t2g3' 252 1 252 26 rr_1i6f 1 13 ; ! need to add 12/39 !remove these 10dec98 ; 269 1 270 23 rr_1i6f 1 14 !L13 273 1 273 7 rr_1i6f 1 15 !S14 296 1 296 7 rr_1i6f 1 16 '!Cys15 g2g3 UF=B2' 308 1 308 19 rr_1i6f 1 17 '!V16 t UF=HG1' 329 1 329 15 rr_1i6f 1 18 !A17 345 1 345 7 rr_1i6f 1 19 '!N18 t2g3 DF=B1' 359 1 359 17 rr_1i6f 1 20 '! make this very weak 24apr98 for d8h' 379 1 379 39 rr_1i6f 1 21 '!N19 g2g3 UF=B2' 384 1 384 17 rr_1i6f 1 22 '!Y20 g2t3 UF=B1' 403 1 403 17 rr_1i6f 1 23 ; !C21 15apr98 set to g2t3 UF=B1 ! 05jan set to t2g3 ; 424 1 425 21 rr_1i6f 1 24 '!D22 g2t3 UF=B1' 447 1 447 18 rr_1i6f 1 25 '!N23 g2t3 13may99 DF=B2' 458 1 458 26 rr_1i6f 1 26 '!Q24 g2t3' 472 1 472 11 rr_1i6f 1 27 '!C25 t2g3 UF=B1' 495 1 495 17 rr_1i6f 1 28 !K26 519 1 519 6 rr_1i6f 1 29 '!M27 (code #48) 10feb99 t2g3' 534 1 534 30 rr_1i6f 1 30 !K28 548 1 548 7 rr_1i6f 1 31 !K29 558 1 558 7 rr_1i6f 1 32 !A30 571 1 571 6 rr_1i6f 1 33 !S31 590 1 590 6 rr_1i6f 1 34 ; !assign (resid 31 and name HA )(resid 33 and name HN ) 4.0 2.2 1.0 !assign (resid 31 and name HN )(resid 42 and name HB1 ) 4.0 2.2 1.0 ; 596 1 597 76 rr_1i6f 1 35 !G32 600 1 600 6 rr_1i6f 1 36 !G33 611 1 611 7 rr_1i6f 1 37 !H34 619 1 619 7 rr_1i6f 1 38 ; !assign (resid 34 and name HB1 )(resid 36 and name HE# ) 4.0 4.2 3.0 !assign (resid 34 and name HB2 )(resid 36 and name HE# ) 4.0 4.2 3.0 ; 629 1 630 76 rr_1i6f 1 39 '!C35 g2t3 UF=B1' 635 1 635 18 rr_1i6f 1 40 ; !Y36 g2t3 UF=B1 ! 06jan99 set to t2g3 ; 648 1 649 23 rr_1i6f 1 41 !A37 676 1 676 7 rr_1i6f 1 42 !M38 684 1 684 7 rr_1i6f 1 43 '!S39 t2g3 DF=B1' 693 1 693 18 rr_1i6f 1 44 '!C40 g2t3 DF=B1' 702 1 702 18 rr_1i6f 1 45 '!Y41 g2t3 UF=B1 by alpha/N' 711 1 711 29 rr_1i6f 1 46 '!C42 t2g3 DF=B1' 725 1 725 18 rr_1i6f 1 47 !E43 738 1 738 7 rr_1i6f 1 48 !G44 750 1 750 7 rr_1i6f 1 49 !L45 756 1 756 7 rr_1i6f 1 50 !P46 776 1 776 6 rr_1i6f 1 51 !E47 797 1 797 7 rr_1i6f 1 52 !N48 811 1 811 7 rr_1i6f 1 53 !A49 822 1 822 7 rr_1i6f 1 54 !K50 831 1 831 7 rr_1i6f 1 55 '!V51 g- w/ HG1 uf' 841 1 841 19 rr_1i6f 1 56 !S52 853 1 853 6 rr_1i6f 1 57 '!D53 g2g3 UF=B1' 862 1 862 18 rr_1i6f 1 58 '!S54 g2g3 UF=B1' 872 1 872 18 rr_1i6f 1 59 !A55 884 1 884 7 rr_1i6f 1 60 !Thr56 890 1 890 9 rr_1i6f 1 61 ; !assign (resid 56 and name HG2#)(resid 58 and name HN ) 4.0 3.3 2.1 !N57 ; 898 1 899 7 rr_1i6f 1 62 ; !assign (resid 57 and name HB1 )(resid 58 and name HN ) 4.0 2.2 1.0 !assign (resid 57 and name HB2 )(resid 58 and name HN ) 4.0 2.2 1.0 !I58 ; 907 1 909 7 rr_1i6f 1 63 !C59 919 1 919 7 rr_1i6f 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID rr_1i6f _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1i6f 2 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 3 3 GLY H H . . . 1 1 42 42 CYS O O . . . . . 2.1 1.5 2.3 . . . . . A . 3 GLY H . . A . 42 CYS O . . . 3 . HN . . . . . 42 . O . . rr_1i6f 2 2 1 . . 1 1 42 42 CYS O O . . . 1 1 3 3 GLY N N . . . . . 3.1 2.5 3.3 . . . . . A . 42 CYS O . . A . 3 GLY N . . . 42 . O . . . . . 3 . N . . rr_1i6f 2 3 1 . . 1 1 42 42 CYS H H . . . 1 1 3 3 GLY O O . . . . . 2.1 1.5 2.3 . . . . . A . 42 CYS H . . A . 3 GLY O . . . 42 . HN . . . . . 3 . O . . rr_1i6f 2 4 1 . . 1 1 3 3 GLY O O . . . 1 1 42 42 CYS N N . . . . . 3.1 2.5 3.3 . . . . . A . 3 GLY O . . A . 42 CYS N . . . 3 . O . . . . . 42 . N . . rr_1i6f 2 5 1 . . 1 1 36 36 TYR H H . . . 1 1 39 39 SER O O . . . . . 2.1 1.5 2.3 . . . . . A . 36 TYR H . . A . 39 SER O . . . 36 . HN . . . . . 39 . O . . rr_1i6f 2 6 1 . . 1 1 39 39 SER O O . . . 1 1 36 36 TYR N N . . . . . 3.1 2.5 3.3 . . . . . A . 39 SER O . . A . 36 TYR N . . . 39 . O . . . . . 36 . N . . rr_1i6f 2 7 1 . . 1 1 39 39 SER H H . . . 1 1 36 36 TYR O O . . . . . 2.1 1.5 2.3 . . . . . A . 39 SER H . . A . 36 TYR O . . . 39 . HN . . . . . 36 . O . . rr_1i6f 2 8 1 . . 1 1 36 36 TYR O O . . . 1 1 39 39 SER N N . . . . . 3.1 2.5 3.3 . . . . . A . 36 TYR O . . A . 39 SER N . . . 36 . O . . . . . 39 . N . . rr_1i6f 2 9 1 . . 1 1 41 41 TYR H H . . . 1 1 34 34 HIS O O . . . . . 2.1 1.5 2.3 . . . . . A . 41 TYR H . . A . 34 HIS O . . . 41 . HN . . . . . 34 . O . . rr_1i6f 2 10 1 . . 1 1 34 34 HIS O O . . . 1 1 41 41 TYR N N . . . . . 3.1 2.5 3.3 . . . . . A . 34 HIS O . . A . 41 TYR N . . . 34 . O . . . . . 41 . N . . rr_1i6f 2 11 1 . . 1 1 34 34 HIS H H . . . 1 1 41 41 TYR O O . . . . . 2.1 1.5 2.3 . . . . . A . 34 HIS H . . A . 41 TYR O . . . 34 . HN . . . . . 41 . O . . rr_1i6f 2 12 1 . . 1 1 41 41 TYR O O . . . 1 1 34 34 HIS N N . . . . . 3.1 2.5 3.3 . . . . . A . 41 TYR O . . A . 34 HIS N . . . 41 . O . . . . . 34 . N . . rr_1i6f 2 13 1 . . 1 1 43 43 GLU H H . . . 1 1 32 32 GLY O O . . . . . 2.1 1.5 2.3 . . . . . A . 43 GLU H . . A . 32 GLY O . . . 43 . HN . . . . . 32 . O . . rr_1i6f 2 14 1 . . 1 1 32 32 GLY O O . . . 1 1 43 43 GLU N N . . . . . 3.1 2.5 3.3 . . . . . A . 32 GLY O . . A . 43 GLU N . . . 32 . O . . . . . 43 . N . . rr_1i6f 2 15 1 . . 1 1 32 32 GLY H H . . . 1 1 43 43 GLU O O . . . . . 2.1 1.5 2.3 . . . . . A . 32 GLY H . . A . 43 GLU O . . . 32 . HN . . . . . 43 . O . . rr_1i6f 2 16 1 . . 1 1 43 43 GLU O O . . . 1 1 32 32 GLY N N . . . . . 3.1 2.5 3.3 . . . . . A . 43 GLU O . . A . 32 GLY N . . . 43 . O . . . . . 32 . N . . rr_1i6f 2 17 1 . . 1 1 31 31 SER H H . . . 1 1 43 43 GLU O O . . . . . 2.1 1.5 2.3 . . . . . A . 31 SER H . . A . 43 GLU O . . . 31 . HN . . . . . 43 . O . . rr_1i6f 2 18 1 . . 1 1 43 43 GLU O O . . . 1 1 31 31 SER N N . . . . . 3.1 2.5 3.3 . . . . . A . 43 GLU O . . A . 31 SER N . . . 43 . O . . . . . 31 . N . . rr_1i6f 2 19 1 . . 1 1 22 22 ASP H H . . . 1 1 18 18 ASN O O . . . . . 2.1 1.5 2.3 . . . . . A . 22 ASP H . . A . 18 ASN O . . . 22 . HN . . . . . 18 . O . . rr_1i6f 2 20 1 . . 1 1 18 18 ASN O O . . . 1 1 22 22 ASP N N . . . . . 3.1 2.5 3.3 . . . . . A . 18 ASN O . . A . 22 ASP N . . . 18 . O . . . . . 22 . N . . rr_1i6f 2 21 1 . . 1 1 23 23 ASN H H . . . 1 1 19 19 ASN O O . . . . . 2.1 1.5 2.3 . . . . . A . 23 ASN H . . A . 19 ASN O . . . 23 . HN . . . . . 19 . O . . rr_1i6f 2 22 1 . . 1 1 19 19 ASN O O . . . 1 1 23 23 ASN N N . . . . . 3.1 2.5 3.3 . . . . . A . 19 ASN O . . A . 23 ASN N . . . 19 . O . . . . . 23 . N . . rr_1i6f 2 23 1 . . 1 1 24 24 GLN H H . . . 1 1 20 20 TYR O O . . . . . 2.1 1.5 2.3 . . . . . A . 24 GLN H . . A . 20 TYR O . . . 24 . HN . . . . . 20 . O . . rr_1i6f 2 24 1 . . 1 1 20 20 TYR O O . . . 1 1 24 24 GLN N N . . . . . 3.1 2.5 3.3 . . . . . A . 20 TYR O . . A . 24 GLN N . . . 20 . O . . . . . 24 . N . . rr_1i6f 2 25 1 . . 1 1 25 25 CYS H H . . . 1 1 21 21 CYS O O . . . . . 2.1 1.5 2.3 . . . . . A . 25 CYS H . . A . 21 CYS O . . . 25 . HN . . . . . 21 . O . . rr_1i6f 2 26 1 . . 1 1 21 21 CYS O O . . . 1 1 25 25 CYS N N . . . . . 3.1 2.5 3.3 . . . . . A . 21 CYS O . . A . 25 CYS N . . . 21 . O . . . . . 25 . N . . rr_1i6f 2 27 1 . . 1 1 26 26 LYS H H . . . 1 1 22 22 ASP O O . . . . . 2.1 1.5 2.3 . . . . . A . 26 LYS H . . A . 22 ASP O . . . 26 . HN . . . . . 22 . O . . rr_1i6f 2 28 1 . . 1 1 22 22 ASP O O . . . 1 1 26 26 LYS N N . . . . . 3.1 2.5 3.3 . . . . . A . 22 ASP O . . A . 26 LYS N . . . 22 . O . . . . . 26 . N . . rr_1i6f 2 29 1 . . 1 1 27 27 MET H H . . . 1 1 23 23 ASN O O . . . . . 2.1 1.5 2.3 . . . . . A . 27 MET H . . A . 23 ASN O . . . 27 . HN . . . . . 23 . O . . rr_1i6f 2 30 1 . . 1 1 23 23 ASN O O . . . 1 1 27 27 MET N N . . . . . 3.1 2.5 3.3 . . . . . A . 23 ASN O . . A . 27 MET N . . . 23 . O . . . . . 27 . N . . rr_1i6f 2 31 1 . . 1 1 28 28 LYS H H . . . 1 1 24 24 GLN O O . . . . . 2.1 1.5 2.3 . . . . . A . 28 LYS H . . A . 24 GLN O . . . 28 . HN . . . . . 24 . O . . rr_1i6f 2 32 1 . . 1 1 24 24 GLN O O . . . 1 1 28 28 LYS N N . . . . . 3.1 2.5 3.3 . . . . . A . 24 GLN O . . A . 28 LYS N . . . 24 . O . . . . . 28 . N . . rr_1i6f 2 33 1 . . 1 1 29 29 LYS H H . . . 1 1 26 26 LYS O O . . . . . 2.1 1.5 2.3 . . . . . A . 29 LYS H . . A . 26 LYS O . . . 29 . HN . . . . . 26 . O . . rr_1i6f 2 34 1 . . 1 1 26 26 LYS O O . . . 1 1 29 29 LYS N N . . . . . 3.1 2.5 3.3 . . . . . A . 26 LYS O . . A . 29 LYS N . . . 26 . O . . . . . 29 . N . . rr_1i6f 2 35 1 . . 1 1 30 30 ALA H H . . . 1 1 25 25 CYS O O . . . . . 2.1 1.5 2.3 . . . . . A . 30 ALA H . . A . 25 CYS O . . . 30 . HN . . . . . 25 . O . . rr_1i6f 2 36 1 . . 1 1 25 25 CYS O O . . . 1 1 30 30 ALA N N . . . . . 3.1 2.5 3.3 . . . . . A . 25 CYS O . . A . 30 ALA N . . . 25 . O . . . . . 30 . N . . rr_1i6f 2 37 1 . . 1 1 10 10 GLY H H . . . 1 1 7 7 ASP O O . . . . . 2.1 1.5 2.3 . . . . . A . 10 GLY H . . A . 7 ASP O . . . 10 . HN . . . . . 7 . O . . rr_1i6f 2 38 1 . . 1 1 7 7 ASP O O . . . 1 1 10 10 GLY N N . . . . . 3.1 2.5 3.3 . . . . . A . 7 ASP O . . A . 10 GLY N . . . 7 . O . . . . . 10 . N . . rr_1i6f 2 39 1 . . 1 1 46 46 PRO O O . . . 1 1 49 49 ALA N N . . . . . 3.1 2.5 3.3 . . . . . A . 46 PRO O . . A . 49 ALA N . . . 46 . O . . . . . 49 . N . . rr_1i6f 2 40 1 . . 1 1 49 49 ALA H H . . . 1 1 46 46 PRO O O . . . . . 2.1 1.5 2.3 . . . . . A . 49 ALA H . . A . 46 PRO O . . . 49 . HN . . . . . 46 . O . . rr_1i6f 2 41 1 . . 1 1 7 7 ASP H H . . . 1 1 11 11 CYS O O . . . . . 2.1 1.5 2.3 . . . . . A . 7 ASP H . . A . 11 CYS O . . . 7 . HN . . . . . 11 . O . . rr_1i6f 2 42 1 . . 1 1 11 11 CYS O O . . . 1 1 7 7 ASP N N . . . . . 3.1 2.5 3.3 . . . . . A . 11 CYS O . . A . 7 ASP N . . . 11 . O . . . . . 7 . N . . rr_1i6f 2 43 1 . . 1 1 9 9 LYS H H . . . 1 1 7 7 ASP OD1 O . . . . . 2.1 1.5 2.3 . . . . . A . 9 LYS H . . A . 7 ASP OD1 . . . 9 . HN . . . . . 7 . OD1 . . rr_1i6f 2 44 1 . . 1 1 7 7 ASP OD1 O . . . 1 1 9 9 LYS N N . . . . . 3.1 2.5 3.3 . . . . . A . 7 ASP OD1 . . A . 9 LYS N . . . 7 . OD1 . . . . . 9 . N . . rr_1i6f 2 45 1 . . 1 1 11 11 CYS H H . . . 1 1 7 7 ASP OD1 O . . . . . 2.1 1.5 2.3 . . . . . A . 11 CYS H . . A . 7 ASP OD1 . . . 11 . HN . . . . . 7 . OD1 . . rr_1i6f 2 46 1 . . 1 1 7 7 ASP OD1 O . . . 1 1 11 11 CYS N N . . . . . 3.1 2.5 3.3 . . . . . A . 7 ASP OD1 . . A . 11 CYS N . . . 7 . OD1 . . . . . 11 . N . . rr_1i6f 2 47 1 . . 1 1 45 45 LEU H H . . . 1 1 1 1 LYS O O . . . . . 2.1 1.5 2.3 . . . . . A . 45 LEU H . . A . 1 LYS O . . . 45 . HN . . . . . 1 . O . . rr_1i6f 2 48 1 . . 1 1 1 1 LYS O O . . . 1 1 45 45 LEU N N . . . . . 3.1 2.5 3.3 . . . . . A . 1 LYS O . . A . 45 LEU N . . . 1 . O . . . . . 45 . N . . rr_1i6f 2 49 1 . . 1 1 52 52 SER H H . . . 1 1 4 4 TYR O O . . . . . 2.1 1.5 2.3 . . . . . A . 52 SER H . . A . 4 TYR O . . . 52 . HN . . . . . 4 . O . . rr_1i6f 2 50 1 . . 1 1 4 4 TYR O O . . . 1 1 52 52 SER N N . . . . . 3.1 2.5 3.3 . . . . . A . 4 TYR O . . A . 52 SER N . . . 4 . O . . . . . 52 . N . . rr_1i6f 2 51 1 . . 1 1 6 6 VAL H H . . . 1 1 50 50 LYS O O . . . . . 2.1 1.5 2.3 . . . . . A . 6 VAL H . . A . 50 LYS O . . . 6 . HN . . . . . 50 . O . . rr_1i6f 2 52 1 . . 1 1 50 50 LYS O O . . . 1 1 6 6 VAL N N . . . . . 3.1 2.5 3.3 . . . . . A . 50 LYS O . . A . 6 VAL N . . . 50 . O . . . . . 6 . N . . rr_1i6f 2 53 1 . . 1 1 40 40 CYS H H . . . 1 1 13 13 LEU O O . . . . . 2.1 1.5 2.3 . . . . . A . 40 CYS H . . A . 13 LEU O . . . 40 . HN . . . . . 13 . O . . rr_1i6f 2 54 1 . . 1 1 13 13 LEU O O . . . 1 1 40 40 CYS N N . . . . . 3.1 2.5 3.3 . . . . . A . 13 LEU O . . A . 40 CYS N . . . 13 . O . . . . . 40 . N . . rr_1i6f 2 55 1 . . 1 1 13 13 LEU H H . . . 1 1 5 5 PRO O O . . . . . 2.1 1.5 2.3 . . . . . A . 13 LEU H . . A . 5 PRO O . . . 13 . HN . . . . . 5 . O . . rr_1i6f 2 56 1 . . 1 1 5 5 PRO O O . . . 1 1 13 13 LEU N N . . . . . 3.1 2.5 3.3 . . . . . A . 5 PRO O . . A . 13 LEU N . . . 5 . O . . . . . 13 . N . . rr_1i6f 2 57 1 . . 1 1 15 15 CYS H H . . . 1 1 38 38 MET O O . . . . . 2.1 1.5 2.3 . . . . . A . 15 CYS H . . A . 38 MET O . . . 15 . HN . . . . . 38 . O . . rr_1i6f 2 58 1 . . 1 1 38 38 MET O O . . . 1 1 15 15 CYS N N . . . . . 3.1 2.5 3.3 . . . . . A . 38 MET O . . A . 15 CYS N . . . 38 . O . . . . . 15 . N . . rr_1i6f 2 59 1 . . 1 1 49 49 ALA O O . . . 1 1 1 1 LYS QZ H . . . . . 2.1 1.5 2.3 . . . . . A . 49 ALA O . . A . 1 LYS QZ . . . 49 . O . . . . . 1 . HZ2 . . rr_1i6f 2 60 1 . . 1 1 49 49 ALA O O . . . 1 1 1 1 LYS NZ N . . . . . 3.1 2.5 3.3 . . . . . A . 49 ALA O . . A . 1 LYS NZ . . . 49 . O . . . . . 1 . NZ . . rr_1i6f 2 61 1 . . 1 1 1 1 LYS QZ H . . . 1 1 47 47 GLU O O . . . . . 2.1 1.5 2.3 . . . . . A . 1 LYS QZ . . A . 47 GLU O . . . 1 . HZ3 . . . . . 47 . O . . rr_1i6f 2 62 1 . . 1 1 1 1 LYS NZ N . . . 1 1 47 47 GLU O O . . . . . 3.1 2.5 3.3 . . . . . A . 1 LYS NZ . . A . 47 GLU O . . . 1 . NZ . . . . . 47 . O . . rr_1i6f 2 63 1 . . 1 1 35 35 CYS H H . . . 1 1 18 18 ASN OD1 O . . . . . 2.1 1.5 2.3 . . . . . A . 35 CYS H . . A . 18 ASN OD1 . . . 35 . HN . . . . . 18 . OD1 . . rr_1i6f 2 64 1 . . 1 1 18 18 ASN OD1 O . . . 1 1 35 35 CYS N N . . . . . 3.1 2.5 3.3 . . . . . A . 18 ASN OD1 . . A . 35 CYS N . . . 18 . OD1 . . . . . 35 . N . . rr_1i6f 2 65 1 . . 1 1 33 33 GLY H H . . . 1 1 22 22 ASP OD1 O . . . . . 2.1 1.5 2.3 . . . . . A . 33 GLY H . . A . 22 ASP OD1 . . . 33 . HN . . . . . 22 . OD1 . . rr_1i6f 2 66 1 . . 1 1 22 22 ASP OD1 O . . . 1 1 33 33 GLY N N . . . . . 3.1 2.5 3.3 . . . . . A . 22 ASP OD1 . . A . 33 GLY N . . . 22 . OD1 . . . . . 33 . N . . rr_1i6f 2 67 1 . . 1 1 44 44 GLY H H . . . 1 1 2 2 ASP OD1 O . . . . . 2.1 1.5 2.3 . . . . . A . 44 GLY H . . A . 2 ASP OD1 . . . 44 . HN . . . . . 2 . OD1 . . rr_1i6f 2 68 1 . . 1 1 2 2 ASP OD1 O . . . 1 1 44 44 GLY N N . . . . . 3.1 2.5 3.3 . . . . . A . 2 ASP OD1 . . A . 44 GLY N . . . 2 . OD1 . . . . . 44 . N . . rr_1i6f 2 69 1 . . 1 1 21 21 CYS H H . . . 1 1 18 18 ASN O O . . . . . 2.1 1.5 2.3 . . . . . A . 21 CYS H . . A . 18 ASN O . . . 21 . HN . . . . . 18 . O . . rr_1i6f 2 70 1 . . 1 1 18 18 ASN O O . . . 1 1 21 21 CYS N N . . . . . 3.1 2.5 3.3 . . . . . A . 18 ASN O . . A . 21 CYS N . . . 18 . O . . . . . 21 . N . . rr_1i6f 2 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 '! H-bonds' 1 1 1 11 rr_1i6f 2 2 '! try 1.5 0.6 0.2' 8 1 8 19 rr_1i6f 2 3 '! alpha helix (edited 21july97)' 21 1 21 33 rr_1i6f 2 4 ; !turns !make 7/10 very strong ; 40 1 41 24 rr_1i6f 2 5 '! misc.' 52 1 52 9 rr_1i6f 2 6 '! add these 22jul99' 71 1 71 21 rr_1i6f 2 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Entry_ID rr_1i6f _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 4 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . rr_1i6f 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 1 1 1 1 LYS C C . . 1 1 2 2 ASP N N . . 1 1 2 2 ASP CA C . . 1 1 2 2 ASP C C . -160.0 -80.0 . . . A . 1 LYS C . . A . 2 ASP N . . A . 2 ASP CA . . A . 2 ASP C . . . 1 . C . . . . . 2 . N . . . . . 2 . CA . . . . . 2 . C . . rr_1i6f 1 2 . . 1 1 3 3 GLY C C . . 1 1 4 4 TYR N N . . 1 1 4 4 TYR CA C . . 1 1 4 4 TYR C C . -160.0 -80.0 . . . A . 3 GLY C . . A . 4 TYR N . . A . 4 TYR CA . . A . 4 TYR C . . . 3 . C . . . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . rr_1i6f 1 3 . . 1 1 5 5 PRO C C . . 1 1 6 6 VAL N N . . 1 1 6 6 VAL CA C . . 1 1 6 6 VAL C C . -160.0 -80.0 . . . A . 5 PRO C . . A . 6 VAL N . . A . 6 VAL CA . . A . 6 VAL C . . . 5 . C . . . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . rr_1i6f 1 4 . . 1 1 6 6 VAL C C . . 1 1 7 7 ASP N N . . 1 1 7 7 ASP CA C . . 1 1 7 7 ASP C C . -160.0 -80.0 . . . A . 6 VAL C . . A . 7 ASP N . . A . 7 ASP CA . . A . 7 ASP C . . . 6 . C . . . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . rr_1i6f 1 5 . . 1 1 7 7 ASP C C . . 1 1 8 8 SER N N . . 1 1 8 8 SER CA C . . 1 1 8 8 SER C C . -90.0 -30.0 . . . A . 7 ASP C . . A . 8 SER N . . A . 8 SER CA . . A . 8 SER C . . . 7 . C . . . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . rr_1i6f 1 6 . . 1 1 8 8 SER C C . . 1 1 9 9 LYS N N . . 1 1 9 9 LYS CA C . . 1 1 9 9 LYS C C . -160.0 -80.0 . . . A . 8 SER C . . A . 9 LYS N . . A . 9 LYS CA . . A . 9 LYS C . . . 8 . C . . . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . rr_1i6f 1 7 . . 1 1 10 10 GLY C C . . 1 1 11 11 CYS N N . . 1 1 11 11 CYS CA C . . 1 1 11 11 CYS C C . -160.0 -80.0 . . . A . 10 GLY C . . A . 11 CYS N . . A . 11 CYS CA . . A . 11 CYS C . . . 10 . C . . . . . 11 . N . . . . . 11 . CA . . . . . 11 . C . . rr_1i6f 1 8 . . 1 1 12 12 LYS C C . . 1 1 13 13 LEU N N . . 1 1 13 13 LEU CA C . . 1 1 13 13 LEU C C . -160.0 -80.0 . . . A . 12 LYS C . . A . 13 LEU N . . A . 13 LEU CA . . A . 13 LEU C . . . 12 . C . . . . . 13 . N . . . . . 13 . CA . . . . . 13 . C . . rr_1i6f 1 9 . . 1 1 13 13 LEU C C . . 1 1 14 14 SER N N . . 1 1 14 14 SER CA C . . 1 1 14 14 SER C C . -90.0 -30.0 . . . A . 13 LEU C . . A . 14 SER N . . A . 14 SER CA . . A . 14 SER C . . . 13 . C . . . . . 14 . N . . . . . 14 . CA . . . . . 14 . C . . rr_1i6f 1 10 . . 1 1 14 14 SER C C . . 1 1 15 15 CYS N N . . 1 1 15 15 CYS CA C . . 1 1 15 15 CYS C C . -160.0 -80.0 . . . A . 14 SER C . . A . 15 CYS N . . A . 15 CYS CA . . A . 15 CYS C . . . 14 . C . . . . . 15 . N . . . . . 15 . CA . . . . . 15 . C . . rr_1i6f 1 11 . . 1 1 15 15 CYS C C . . 1 1 16 16 VAL N N . . 1 1 16 16 VAL CA C . . 1 1 16 16 VAL C C . -160.0 -80.0 . . . A . 15 CYS C . . A . 16 VAL N . . A . 16 VAL CA . . A . 16 VAL C . . . 15 . C . . . . . 16 . N . . . . . 16 . CA . . . . . 16 . C . . rr_1i6f 1 12 . . 1 1 16 16 VAL C C . . 1 1 17 17 ALA N N . . 1 1 17 17 ALA CA C . . 1 1 17 17 ALA C C . -160.0 -80.0 . . . A . 16 VAL C . . A . 17 ALA N . . A . 17 ALA CA . . A . 17 ALA C . . . 16 . C . . . . . 17 . N . . . . . 17 . CA . . . . . 17 . C . . rr_1i6f 1 13 . . 1 1 17 17 ALA C C . . 1 1 18 18 ASN N N . . 1 1 18 18 ASN CA C . . 1 1 18 18 ASN C C . -90.0 -30.0 . . . A . 17 ALA C . . A . 18 ASN N . . A . 18 ASN CA . . A . 18 ASN C . . . 17 . C . . . . . 18 . N . . . . . 18 . CA . . . . . 18 . C . . rr_1i6f 1 14 . . 1 1 18 18 ASN C C . . 1 1 19 19 ASN N N . . 1 1 19 19 ASN CA C . . 1 1 19 19 ASN C C . -90.0 -30.0 . . . A . 18 ASN C . . A . 19 ASN N . . A . 19 ASN CA . . A . 19 ASN C . . . 18 . C . . . . . 19 . N . . . . . 19 . CA . . . . . 19 . C . . rr_1i6f 1 15 . . 1 1 19 19 ASN C C . . 1 1 20 20 TYR N N . . 1 1 20 20 TYR CA C . . 1 1 20 20 TYR C C . -90.0 -30.0 . . . A . 19 ASN C . . A . 20 TYR N . . A . 20 TYR CA . . A . 20 TYR C . . . 19 . C . . . . . 20 . N . . . . . 20 . CA . . . . . 20 . C . . rr_1i6f 1 16 . . 1 1 21 21 CYS C C . . 1 1 22 22 ASP N N . . 1 1 22 22 ASP CA C . . 1 1 22 22 ASP C C . -90.0 -30.0 . . . A . 21 CYS C . . A . 22 ASP N . . A . 22 ASP CA . . A . 22 ASP C . . . 21 . C . . . . . 22 . N . . . . . 22 . CA . . . . . 22 . C . . rr_1i6f 1 17 . . 1 1 22 22 ASP C C . . 1 1 23 23 ASN N N . . 1 1 23 23 ASN CA C . . 1 1 23 23 ASN C C . -90.0 -30.0 . . . A . 22 ASP C . . A . 23 ASN N . . A . 23 ASN CA . . A . 23 ASN C . . . 22 . C . . . . . 23 . N . . . . . 23 . CA . . . . . 23 . C . . rr_1i6f 1 18 . . 1 1 23 23 ASN C C . . 1 1 24 24 GLN N N . . 1 1 24 24 GLN CA C . . 1 1 24 24 GLN C C . -90.0 -30.0 . . . A . 23 ASN C . . A . 24 GLN N . . A . 24 GLN CA . . A . 24 GLN C . . . 23 . C . . . . . 24 . N . . . . . 24 . CA . . . . . 24 . C . . rr_1i6f 1 19 . . 1 1 24 24 GLN C C . . 1 1 25 25 CYS N N . . 1 1 25 25 CYS CA C . . 1 1 25 25 CYS C C . -90.0 -30.0 . . . A . 24 GLN C . . A . 25 CYS N . . A . 25 CYS CA . . A . 25 CYS C . . . 24 . C . . . . . 25 . N . . . . . 25 . CA . . . . . 25 . C . . rr_1i6f 1 20 . . 1 1 26 26 LYS C C . . 1 1 27 27 MET N N . . 1 1 27 27 MET CA C . . 1 1 27 27 MET C C . -90.0 -30.0 . . . A . 26 LYS C . . A . 27 MET N . . A . 27 MET CA . . A . 27 MET C . . . 26 . C . . . . . 27 . N . . . . . 27 . CA . . . . . 27 . C . . rr_1i6f 1 21 . . 1 1 27 27 MET C C . . 1 1 28 28 LYS N N . . 1 1 28 28 LYS CA C . . 1 1 28 28 LYS C C . -160.0 -80.0 . . . A . 27 MET C . . A . 28 LYS N . . A . 28 LYS CA . . A . 28 LYS C . . . 27 . C . . . . . 28 . N . . . . . 28 . CA . . . . . 28 . C . . rr_1i6f 1 22 . . 1 1 29 29 LYS C C . . 1 1 30 30 ALA N N . . 1 1 30 30 ALA CA C . . 1 1 30 30 ALA C C . -160.0 -80.0 . . . A . 29 LYS C . . A . 30 ALA N . . A . 30 ALA CA . . A . 30 ALA C . . . 29 . C . . . . . 30 . N . . . . . 30 . CA . . . . . 30 . C . . rr_1i6f 1 23 . . 1 1 30 30 ALA C C . . 1 1 31 31 SER N N . . 1 1 31 31 SER CA C . . 1 1 31 31 SER C C . -160.0 -80.0 . . . A . 30 ALA C . . A . 31 SER N . . A . 31 SER CA . . A . 31 SER C . . . 30 . C . . . . . 31 . N . . . . . 31 . CA . . . . . 31 . C . . rr_1i6f 1 24 . . 1 1 34 34 HIS C C . . 1 1 35 35 CYS N N . . 1 1 35 35 CYS CA C . . 1 1 35 35 CYS C C . -160.0 -80.0 . . . A . 34 HIS C . . A . 35 CYS N . . A . 35 CYS CA . . A . 35 CYS C . . . 34 . C . . . . . 35 . N . . . . . 35 . CA . . . . . 35 . C . . rr_1i6f 1 25 . . 1 1 35 35 CYS C C . . 1 1 36 36 TYR N N . . 1 1 36 36 TYR CA C . . 1 1 36 36 TYR C C . -160.0 -80.0 . . . A . 35 CYS C . . A . 36 TYR N . . A . 36 TYR CA . . A . 36 TYR C . . . 35 . C . . . . . 36 . N . . . . . 36 . CA . . . . . 36 . C . . rr_1i6f 1 26 . . 1 1 36 36 TYR C C . . 1 1 37 37 ALA N N . . 1 1 37 37 ALA CA C . . 1 1 37 37 ALA C C . 30.0 90.0 . . . A . 36 TYR C . . A . 37 ALA N . . A . 37 ALA CA . . A . 37 ALA C . . . 36 . C . . . . . 37 . N . . . . . 37 . CA . . . . . 37 . C . . rr_1i6f 1 27 . . 1 1 37 37 ALA C C . . 1 1 38 38 MET N N . . 1 1 38 38 MET CA C . . 1 1 38 38 MET C C . 50.0 130.0 . . . A . 37 ALA C . . A . 38 MET N . . A . 38 MET CA . . A . 38 MET C . . . 37 . C . . . . . 38 . N . . . . . 38 . CA . . . . . 38 . C . . rr_1i6f 1 28 . . 1 1 38 38 MET C C . . 1 1 39 39 SER N N . . 1 1 39 39 SER CA C . . 1 1 39 39 SER C C . -160.0 -80.0 . . . A . 38 MET C . . A . 39 SER N . . A . 39 SER CA . . A . 39 SER C . . . 38 . C . . . . . 39 . N . . . . . 39 . CA . . . . . 39 . C . . rr_1i6f 1 29 . . 1 1 40 40 CYS C C . . 1 1 41 41 TYR N N . . 1 1 41 41 TYR CA C . . 1 1 41 41 TYR C C . -160.0 -80.0 . . . A . 40 CYS C . . A . 41 TYR N . . A . 41 TYR CA . . A . 41 TYR C . . . 40 . C . . . . . 41 . N . . . . . 41 . CA . . . . . 41 . C . . rr_1i6f 1 30 . . 1 1 41 41 TYR C C . . 1 1 42 42 CYS N N . . 1 1 42 42 CYS CA C . . 1 1 42 42 CYS C C . -160.0 -80.0 . . . A . 41 TYR C . . A . 42 CYS N . . A . 42 CYS CA . . A . 42 CYS C . . . 41 . C . . . . . 42 . N . . . . . 42 . CA . . . . . 42 . C . . rr_1i6f 1 31 . . 1 1 44 44 GLY C C . . 1 1 45 45 LEU N N . . 1 1 45 45 LEU CA C . . 1 1 45 45 LEU C C . -90.0 -30.0 . . . A . 44 GLY C . . A . 45 LEU N . . A . 45 LEU CA . . A . 45 LEU C . . . 44 . C . . . . . 45 . N . . . . . 45 . CA . . . . . 45 . C . . rr_1i6f 1 32 . . 1 1 46 46 PRO C C . . 1 1 47 47 GLU N N . . 1 1 47 47 GLU CA C . . 1 1 47 47 GLU C C . -90.0 -30.0 . . . A . 46 PRO C . . A . 47 GLU N . . A . 47 GLU CA . . A . 47 GLU C . . . 46 . C . . . . . 47 . N . . . . . 47 . CA . . . . . 47 . C . . rr_1i6f 1 33 . . 1 1 47 47 GLU C C . . 1 1 48 48 ASN N N . . 1 1 48 48 ASN CA C . . 1 1 48 48 ASN C C . -160.0 -80.0 . . . A . 47 GLU C . . A . 48 ASN N . . A . 48 ASN CA . . A . 48 ASN C . . . 47 . C . . . . . 48 . N . . . . . 48 . CA . . . . . 48 . C . . rr_1i6f 1 34 . . 1 1 48 48 ASN C C . . 1 1 49 49 ALA N N . . 1 1 49 49 ALA CA C . . 1 1 49 49 ALA C C . -90.0 -30.0 . . . A . 48 ASN C . . A . 49 ALA N . . A . 49 ALA CA . . A . 49 ALA C . . . 48 . C . . . . . 49 . N . . . . . 49 . CA . . . . . 49 . C . . rr_1i6f 1 35 . . 1 1 49 49 ALA C C . . 1 1 50 50 LYS N N . . 1 1 50 50 LYS CA C . . 1 1 50 50 LYS C C . -120.0 -40.0 . . . A . 49 ALA C . . A . 50 LYS N . . A . 50 LYS CA . . A . 50 LYS C . . . 49 . C . . . . . 50 . N . . . . . 50 . CA . . . . . 50 . C . . rr_1i6f 1 36 . . 1 1 50 50 LYS C C . . 1 1 51 51 VAL N N . . 1 1 51 51 VAL CA C . . 1 1 51 51 VAL C C . -160.0 -80.0 . . . A . 50 LYS C . . A . 51 VAL N . . A . 51 VAL CA . . A . 51 VAL C . . . 50 . C . . . . . 51 . N . . . . . 51 . CA . . . . . 51 . C . . rr_1i6f 1 37 . . 1 1 51 51 VAL C C . . 1 1 52 52 SER N N . . 1 1 52 52 SER CA C . . 1 1 52 52 SER C C . -90.0 -30.0 . . . A . 51 VAL C . . A . 52 SER N . . A . 52 SER CA . . A . 52 SER C . . . 51 . C . . . . . 52 . N . . . . . 52 . CA . . . . . 52 . C . . rr_1i6f 1 38 . . 1 1 52 52 SER C C . . 1 1 53 53 ASP N N . . 1 1 53 53 ASP CA C . . 1 1 53 53 ASP C C . -160.0 -80.0 . . . A . 52 SER C . . A . 53 ASP N . . A . 53 ASP CA . . A . 53 ASP C . . . 52 . C . . . . . 53 . N . . . . . 53 . CA . . . . . 53 . C . . rr_1i6f 1 39 . . 1 1 53 53 ASP C C . . 1 1 54 54 SER N N . . 1 1 54 54 SER CA C . . 1 1 54 54 SER C C . -160.0 -80.0 . . . A . 53 ASP C . . A . 54 SER N . . A . 54 SER CA . . A . 54 SER C . . . 53 . C . . . . . 54 . N . . . . . 54 . CA . . . . . 54 . C . . rr_1i6f 1 40 . . 1 1 54 54 SER C C . . 1 1 55 55 ALA N N . . 1 1 55 55 ALA CA C . . 1 1 55 55 ALA C C . -90.0 -30.0 . . . A . 54 SER C . . A . 55 ALA N . . A . 55 ALA CA . . A . 55 ALA C . . . 54 . C . . . . . 55 . N . . . . . 55 . CA . . . . . 55 . C . . rr_1i6f 1 41 . . 1 1 55 55 ALA C C . . 1 1 56 56 THR N N . . 1 1 56 56 THR CA C . . 1 1 56 56 THR C C . -160.0 -80.0 . . . A . 55 ALA C . . A . 56 THR N . . A . 56 THR CA . . A . 56 THR C . . . 55 . C . . . . . 56 . N . . . . . 56 . CA . . . . . 56 . C . . rr_1i6f 1 42 . . 1 1 56 56 THR C C . . 1 1 57 57 ASN N N . . 1 1 57 57 ASN CA C . . 1 1 57 57 ASN C C . -160.0 -80.0 . . . A . 56 THR C . . A . 57 ASN N . . A . 57 ASN CA . . A . 57 ASN C . . . 56 . C . . . . . 57 . N . . . . . 57 . CA . . . . . 57 . C . . rr_1i6f 1 43 . . 1 1 57 57 ASN C C . . 1 1 58 58 ILE N N . . 1 1 58 58 ILE CA C . . 1 1 58 58 ILE C C . -160.0 -80.0 . . . A . 57 ASN C . . A . 58 ILE N . . A . 58 ILE CA . . A . 58 ILE C . . . 57 . C . . . . . 58 . N . . . . . 58 . CA . . . . . 58 . C . . rr_1i6f 1 44 . . 1 1 58 58 ILE C C . . 1 1 59 59 CYS N N . . 1 1 59 59 CYS CA C . . 1 1 59 59 CYS C C . -160.0 -80.0 . . . A . 58 ILE C . . A . 59 CYS N . . A . 59 CYS CA . . A . 59 CYS C . . . 58 . C . . . . . 59 . N . . . . . 59 . CA . . . . . 59 . C . . rr_1i6f 1 45 . . 1 1 2 2 ASP N N . . 1 1 2 2 ASP CA C . . 1 1 2 2 ASP CB C . . 1 1 2 2 ASP CG C . -119.0 -1.0 . . . A . 2 ASP N . . A . 2 ASP CA . . A . 2 ASP CB . . A . 2 ASP CG . . . 2 . N . . . . . 2 . CA . . . . . 2 . CB . . . . . 2 . CG . . rr_1i6f 1 46 . . 1 1 4 4 TYR N N . . 1 1 4 4 TYR CA C . . 1 1 4 4 TYR CB C . . 1 1 4 4 TYR CG C . -119.0 -1.0 . . . A . 4 TYR N . . A . 4 TYR CA . . A . 4 TYR CB . . A . 4 TYR CG . . . 4 . N . . . . . 4 . CA . . . . . 4 . CB . . . . . 4 . CG . . rr_1i6f 1 47 . . 1 1 6 6 VAL N N . . 1 1 6 6 VAL CA C . . 1 1 6 6 VAL CB C . . 1 1 6 6 VAL HB H . 121.0 239.0 . . . A . 6 VAL N . . A . 6 VAL CA . . A . 6 VAL CB . . A . 6 VAL HB . . . 6 . N . . . . . 6 . CA . . . . . 6 . CB . . . . . 6 . HB . . rr_1i6f 1 48 . . 1 1 7 7 ASP N N . . 1 1 7 7 ASP CA C . . 1 1 7 7 ASP CB C . . 1 1 7 7 ASP CG C . 1.0 119.0 . . . A . 7 ASP N . . A . 7 ASP CA . . A . 7 ASP CB . . A . 7 ASP CG . . . 7 . N . . . . . 7 . CA . . . . . 7 . CB . . . . . 7 . CG . . rr_1i6f 1 49 . . 1 1 8 8 SER N N . . 1 1 8 8 SER CA C . . 1 1 8 8 SER CB C . . 1 1 8 8 SER OG O . 1.0 119.0 . . . A . 8 SER N . . A . 8 SER CA . . A . 8 SER CB . . A . 8 SER OG . . . 8 . N . . . . . 8 . CA . . . . . 8 . CB . . . . . 8 . OG . . rr_1i6f 1 50 . . 1 1 11 11 CYS N N . . 1 1 11 11 CYS CA C . . 1 1 11 11 CYS CB C . . 1 1 11 11 CYS SG S . -119.0 -1.0 . . . A . 11 CYS N . . A . 11 CYS CA . . A . 11 CYS CB . . A . 11 CYS SG . . . 11 . N . . . . . 11 . CA . . . . . 11 . CB . . . . . 11 . SG . . rr_1i6f 1 51 . . 1 1 12 12 LYS N N . . 1 1 12 12 LYS CA C . . 1 1 12 12 LYS CB C . . 1 1 12 12 LYS CG C . -119.0 -1.0 . . . A . 12 LYS N . . A . 12 LYS CA . . A . 12 LYS CB . . A . 12 LYS CG . . . 12 . N . . . . . 12 . CA . . . . . 12 . CB . . . . . 12 . CG . . rr_1i6f 1 52 . . 1 1 14 14 SER N N . . 1 1 14 14 SER CA C . . 1 1 14 14 SER CB C . . 1 1 14 14 SER OG O . -119.0 -1.0 . . . A . 14 SER N . . A . 14 SER CA . . A . 14 SER CB . . A . 14 SER OG . . . 14 . N . . . . . 14 . CA . . . . . 14 . CB . . . . . 14 . OG . . rr_1i6f 1 53 . . 1 1 15 15 CYS N N . . 1 1 15 15 CYS CA C . . 1 1 15 15 CYS CB C . . 1 1 15 15 CYS SG S . 1.0 119.0 . . . A . 15 CYS N . . A . 15 CYS CA . . A . 15 CYS CB . . A . 15 CYS SG . . . 15 . N . . . . . 15 . CA . . . . . 15 . CB . . . . . 15 . SG . . rr_1i6f 1 54 . . 1 1 16 16 VAL N N . . 1 1 16 16 VAL CA C . . 1 1 16 16 VAL CB C . . 1 1 16 16 VAL HB H . -119.0 -1.0 . . . A . 16 VAL N . . A . 16 VAL CA . . A . 16 VAL CB . . A . 16 VAL HB . . . 16 . N . . . . . 16 . CA . . . . . 16 . CB . . . . . 16 . HB . . rr_1i6f 1 55 . . 1 1 18 18 ASN N N . . 1 1 18 18 ASN CA C . . 1 1 18 18 ASN CB C . . 1 1 18 18 ASN CG C . -119.0 -1.0 . . . A . 18 ASN N . . A . 18 ASN CA . . A . 18 ASN CB . . A . 18 ASN CG . . . 18 . N . . . . . 18 . CA . . . . . 18 . CB . . . . . 18 . CG . . rr_1i6f 1 56 . . 1 1 19 19 ASN N N . . 1 1 19 19 ASN CA C . . 1 1 19 19 ASN CB C . . 1 1 19 19 ASN CG C . 1.0 119.0 . . . A . 19 ASN N . . A . 19 ASN CA . . A . 19 ASN CB . . A . 19 ASN CG . . . 19 . N . . . . . 19 . CA . . . . . 19 . CB . . . . . 19 . CG . . rr_1i6f 1 57 . . 1 1 20 20 TYR N N . . 1 1 20 20 TYR CA C . . 1 1 20 20 TYR CB C . . 1 1 20 20 TYR CG C . 121.0 239.0 . . . A . 20 TYR N . . A . 20 TYR CA . . A . 20 TYR CB . . A . 20 TYR CG . . . 20 . N . . . . . 20 . CA . . . . . 20 . CB . . . . . 20 . CG . . rr_1i6f 1 58 . . 1 1 21 21 CYS N N . . 1 1 21 21 CYS CA C . . 1 1 21 21 CYS CB C . . 1 1 21 21 CYS SG S . -119.0 -1.0 . . . A . 21 CYS N . . A . 21 CYS CA . . A . 21 CYS CB . . A . 21 CYS SG . . . 21 . N . . . . . 21 . CA . . . . . 21 . CB . . . . . 21 . SG . . rr_1i6f 1 59 . . 1 1 22 22 ASP N N . . 1 1 22 22 ASP CA C . . 1 1 22 22 ASP CB C . . 1 1 22 22 ASP CG C . 121.0 239.0 . . . A . 22 ASP N . . A . 22 ASP CA . . A . 22 ASP CB . . A . 22 ASP CG . . . 22 . N . . . . . 22 . CA . . . . . 22 . CB . . . . . 22 . CG . . rr_1i6f 1 60 . . 1 1 23 23 ASN N N . . 1 1 23 23 ASN CA C . . 1 1 23 23 ASN CB C . . 1 1 23 23 ASN CG C . 1.0 119.0 . . . A . 23 ASN N . . A . 23 ASN CA . . A . 23 ASN CB . . A . 23 ASN CG . . . 23 . N . . . . . 23 . CA . . . . . 23 . CB . . . . . 23 . CG . . rr_1i6f 1 61 . . 1 1 25 25 CYS N N . . 1 1 25 25 CYS CA C . . 1 1 25 25 CYS CB C . . 1 1 25 25 CYS SG S . -119.0 -1.0 . . . A . 25 CYS N . . A . 25 CYS CA . . A . 25 CYS CB . . A . 25 CYS SG . . . 25 . N . . . . . 25 . CA . . . . . 25 . CB . . . . . 25 . SG . . rr_1i6f 1 62 . . 1 1 27 27 MET N N . . 1 1 27 27 MET CA C . . 1 1 27 27 MET CB C . . 1 1 27 27 MET CG C . -119.0 -1.0 . . . A . 27 MET N . . A . 27 MET CA . . A . 27 MET CB . . A . 27 MET CG . . . 27 . N . . . . . 27 . CA . . . . . 27 . CB . . . . . 27 . CG . . rr_1i6f 1 63 . . 1 1 34 34 HIS N N . . 1 1 34 34 HIS CA C . . 1 1 34 34 HIS CB C . . 1 1 34 34 HIS CG C . 1.0 119.0 . . . A . 34 HIS N . . A . 34 HIS CA . . A . 34 HIS CB . . A . 34 HIS CG . . . 34 . N . . . . . 34 . CA . . . . . 34 . CB . . . . . 34 . CG . . rr_1i6f 1 64 . . 1 1 35 35 CYS N N . . 1 1 35 35 CYS CA C . . 1 1 35 35 CYS CB C . . 1 1 35 35 CYS SG S . 121.0 239.0 . . . A . 35 CYS N . . A . 35 CYS CA . . A . 35 CYS CB . . A . 35 CYS SG . . . 35 . N . . . . . 35 . CA . . . . . 35 . CB . . . . . 35 . SG . . rr_1i6f 1 65 . . 1 1 36 36 TYR N N . . 1 1 36 36 TYR CA C . . 1 1 36 36 TYR CB C . . 1 1 36 36 TYR CG C . -240.0 0.0 . . . A . 36 TYR N . . A . 36 TYR CA . . A . 36 TYR CB . . A . 36 TYR CG . . . 36 . N . . . . . 36 . CA . . . . . 36 . CB . . . . . 36 . CG . . rr_1i6f 1 66 . . 1 1 39 39 SER N N . . 1 1 39 39 SER CA C . . 1 1 39 39 SER CB C . . 1 1 39 39 SER OG O . -119.0 -1.0 . . . A . 39 SER N . . A . 39 SER CA . . A . 39 SER CB . . A . 39 SER OG . . . 39 . N . . . . . 39 . CA . . . . . 39 . CB . . . . . 39 . OG . . rr_1i6f 1 67 . . 1 1 40 40 CYS N N . . 1 1 40 40 CYS CA C . . 1 1 40 40 CYS CB C . . 1 1 40 40 CYS SG S . 121.0 239.0 . . . A . 40 CYS N . . A . 40 CYS CA . . A . 40 CYS CB . . A . 40 CYS SG . . . 40 . N . . . . . 40 . CA . . . . . 40 . CB . . . . . 40 . SG . . rr_1i6f 1 68 . . 1 1 41 41 TYR N N . . 1 1 41 41 TYR CA C . . 1 1 41 41 TYR CB C . . 1 1 41 41 TYR CG C . 121.0 239.0 . . . A . 41 TYR N . . A . 41 TYR CA . . A . 41 TYR CB . . A . 41 TYR CG . . . 41 . N . . . . . 41 . CA . . . . . 41 . CB . . . . . 41 . CG . . rr_1i6f 1 69 . . 1 1 42 42 CYS N N . . 1 1 42 42 CYS CA C . . 1 1 42 42 CYS CB C . . 1 1 42 42 CYS SG S . -119.0 -1.0 . . . A . 42 CYS N . . A . 42 CYS CA . . A . 42 CYS CB . . A . 42 CYS SG . . . 42 . N . . . . . 42 . CA . . . . . 42 . CB . . . . . 42 . SG . . rr_1i6f 1 70 . . 1 1 48 48 ASN N N . . 1 1 48 48 ASN CA C . . 1 1 48 48 ASN CB C . . 1 1 48 48 ASN CG C . 1.0 119.0 . . . A . 48 ASN N . . A . 48 ASN CA . . A . 48 ASN CB . . A . 48 ASN CG . . . 48 . N . . . . . 48 . CA . . . . . 48 . CB . . . . . 48 . CG . . rr_1i6f 1 71 . . 1 1 51 51 VAL N N . . 1 1 51 51 VAL CA C . . 1 1 51 51 VAL CB C . . 1 1 51 51 VAL HB H . 121.0 239.0 . . . A . 51 VAL N . . A . 51 VAL CA . . A . 51 VAL CB . . A . 51 VAL HB . . . 51 . N . . . . . 51 . CA . . . . . 51 . CB . . . . . 51 . HB . . rr_1i6f 1 72 . . 1 1 52 52 SER N N . . 1 1 52 52 SER CA C . . 1 1 52 52 SER CB C . . 1 1 52 52 SER OG O . 121.0 239.0 . . . A . 52 SER N . . A . 52 SER CA . . A . 52 SER CB . . A . 52 SER OG . . . 52 . N . . . . . 52 . CA . . . . . 52 . CB . . . . . 52 . OG . . rr_1i6f 1 73 . . 1 1 53 53 ASP N N . . 1 1 53 53 ASP CA C . . 1 1 53 53 ASP CB C . . 1 1 53 53 ASP CG C . 1.0 119.0 . . . A . 53 ASP N . . A . 53 ASP CA . . A . 53 ASP CB . . A . 53 ASP CG . . . 53 . N . . . . . 53 . CA . . . . . 53 . CB . . . . . 53 . CG . . rr_1i6f 1 74 . . 1 1 54 54 SER N N . . 1 1 54 54 SER CA C . . 1 1 54 54 SER CB C . . 1 1 54 54 SER OG O . 1.0 119.0 . . . A . 54 SER N . . A . 54 SER CA . . A . 54 SER CB . . A . 54 SER OG . . . 54 . N . . . . . 54 . CA . . . . . 54 . CB . . . . . 54 . OG . . rr_1i6f 1 75 . . 1 1 4 4 TYR CA C . . 1 1 4 4 TYR C C . . 1 1 5 5 PRO N N . . 1 1 5 5 PRO CA C . 175.0 185.0 . . . A . 4 TYR CA . . A . 4 TYR C . . A . 5 PRO N . . A . 5 PRO CA . . . 4 . CA . . . . . 4 . C . . . . . 5 . N . . . . . 5 . CA . . rr_1i6f 1 76 . . 1 1 45 45 LEU CA C . . 1 1 45 45 LEU C C . . 1 1 46 46 PRO N N . . 1 1 46 46 PRO CA C . 175.0 185.0 . . . A . 45 LEU CA . . A . 45 LEU C . . A . 46 PRO N . . A . 46 PRO CA . . . 45 . CA . . . . . 45 . C . . . . . 46 . N . . . . . 46 . CA . . rr_1i6f 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 !Asp-2 2 1 2 8 rr_1i6f 1 2 '! Y4 J=8.1' 5 1 5 13 rr_1i6f 1 3 '! V6 J=10.5' 8 1 8 13 rr_1i6f 1 4 '! D7 J=8.5 mjj' 11 1 11 16 rr_1i6f 1 5 '! S8 J=4.5' 14 1 14 12 rr_1i6f 1 6 '! K9 J=9.1' 17 1 17 12 rr_1i6f 1 7 '! C11 J=8.5)' 20 1 20 14 rr_1i6f 1 8 ; ! K12 no cosy peaks 7.2 Hz from tocsy ! L13 J=8.5 mjj ; 23 1 24 17 rr_1i6f 1 9 '! S14 no cosy 6.0 Hz from noesy' 27 1 27 33 rr_1i6f 1 10 '! C15 no cosy 10.5 HZ from tocsy' 30 1 30 34 rr_1i6f 1 11 '! V16 J=10.4' 33 1 33 14 rr_1i6f 1 12 '! A17 J=8.4 mjj' 36 1 36 17 rr_1i6f 1 13 '! N18 J=5.6' 39 1 39 13 rr_1i6f 1 14 '! N19 J=6.0' 42 1 42 13 rr_1i6f 1 15 '! Y20 J=4.8' 45 1 45 13 rr_1i6f 1 16 ; ! C21 no cosy ! D22 ; 48 1 49 8 rr_1i6f 1 17 '! N23' 52 1 52 7 rr_1i6f 1 18 '! Q24 4.5 Hz from noesy' 55 1 55 25 rr_1i6f 1 19 '! C25 J=6.0' 58 1 58 15 rr_1i6f 1 20 '! M27 J=6.3' 61 1 61 14 rr_1i6f 1 21 '! K28 J=8.5' 64 1 64 15 rr_1i6f 1 22 ; ! K29 J=7.1 ! A30 9 Hz ; 67 1 68 12 rr_1i6f 1 23 '! S31 7.2 Hz 9.0 from tocsy' 71 1 71 29 rr_1i6f 1 24 ; ! M34 no cosy ! C35 no cosy 10.5 Hz from tocsy ; 74 1 75 34 rr_1i6f 1 25 '! Y36 no cosy 10.0 Hz from tocsy' 78 1 78 34 rr_1i6f 1 26 '! A37 J=6.8' 81 1 81 15 rr_1i6f 1 27 '! M38 no cosy' 84 1 84 15 rr_1i6f 1 28 '! S39 J=8.6' 87 1 87 13 rr_1i6f 1 29 ; ! C40 no cosy no tocsy ! Y41 no cosy 11.5 Hz from tocsy ; 90 1 91 34 rr_1i6f 1 30 '! C42 12 Hz' 94 1 94 13 rr_1i6f 1 31 ; ! E43 no cosy ! L45 J=6.5 ; 97 1 98 15 rr_1i6f 1 32 '! E47 4.0 Hz' 101 1 101 14 rr_1i6f 1 33 '! N48 J=7.7 10.5 From tocsy' 104 1 104 29 rr_1i6f 1 34 ; ! for 04mar98 *s*sak* remove phi for 49 to 53 ! A49 J=4.9 ; 107 1 108 13 rr_1i6f 1 35 '! K50 J=6.7, 8.5 from tocsy' 111 1 111 29 rr_1i6f 1 36 '! V51 J=10.2' 114 1 114 14 rr_1i6f 1 37 '! S52 J=6.6' 117 1 117 13 rr_1i6f 1 38 '! D53 J=8.4' 120 1 120 13 rr_1i6f 1 39 ; ! S54 J=7.0 8.0 from tocsy ! for v5a9l_sak remove phi for S54 ; 123 1 124 36 rr_1i6f 1 40 '! A55 J=6.1 6.5 from tocsy' 127 1 127 28 rr_1i6f 1 41 '! T56 J=6.5 8.5 from tocsy' 130 1 130 28 rr_1i6f 1 42 '! N57 J=7.7' 133 1 133 15 rr_1i6f 1 43 '! I58, J=8.0' 136 1 136 16 rr_1i6f 1 44 '! C59 no cosy' 139 1 139 15 rr_1i6f 1 45 ; ! Chi angle constraints (not edited 21July97) ! D2 t2g3 DF=B1 ; 142 1 143 18 rr_1i6f 1 46 '! Y4 t2g3 UF=B1' 146 1 146 19 rr_1i6f 1 47 '! V6 t 11mar98 set to -g DF=HG1' 149 1 149 33 rr_1i6f 1 48 '!D7 g2g3 UF=B1' 152 1 152 17 rr_1i6f 1 49 '! S8 g2g3 UF= B1 [01may98]' 155 1 155 29 rr_1i6f 1 50 '! C11 t2g3 UF=B1' 158 1 158 20 rr_1i6f 1 51 '! K12 t2g3 DF=B1' 161 1 161 20 rr_1i6f 1 52 ; ! S14 (B2 ) g2g3 or t2g3 from noe pattern, set to 0 +/- 120 01may98 ! 23apr99 set to t2g3 ; 164 1 165 23 rr_1i6f 1 53 '! C15 07apr98 set to g2g3, DF=B1' 168 1 168 34 rr_1i6f 1 54 '! V16 g- apr98 UF=HG2' 171 1 171 23 rr_1i6f 1 55 '! N18 t2g3 DF=B1' 174 1 174 19 rr_1i6f 1 56 '! N19 g2g3 DF=B1' 177 1 177 20 rr_1i6f 1 57 '! Y20 g2t3 UF=B1' 180 1 180 19 rr_1i6f 1 58 ; ! C21 g2t3 18mar97 set to -120 +/- 120 ! 15apr98, g2t3 UF=B1 ! set to t2g3 05jan99 ; 183 1 185 23 rr_1i6f 1 59 '! D22 g2t3 UF=B1' 188 1 188 18 rr_1i6f 1 60 '! N23 g2g3 DF=B1' 191 1 191 20 rr_1i6f 1 61 '! C25 t2g3 UF=B1' 194 1 194 19 rr_1i6f 1 62 '! M27 t2g3' 197 1 197 13 rr_1i6f 1 63 ; ! S31 (B2 ) ! assign (resid 31 and name n ) (resid 31 and name ca) ! (resid 31 and name cb) (resid 31 and name og) 1.0 180. 59.0 2 ! H34 t2g3, DF=B1 ! 18feb99 g2g3 ; 200 1 204 20 rr_1i6f 1 64 '! C35 g2t3, UF=B1' 207 1 207 26 rr_1i6f 1 65 ; !Y36 g2t3 UF=B1 07apr98 ! t2g3, 06jan99 ; 210 1 211 18 rr_1i6f 1 66 '! S39 t2g3 DF=B1' 214 1 214 19 rr_1i6f 1 67 '! C40 g2t3 DF=B1' 217 1 217 20 rr_1i6f 1 68 '!Y41 g2t3 UF=B1' 220 1 220 20 rr_1i6f 1 69 '!C42 t2g3 DF=B1' 223 1 223 19 rr_1i6f 1 70 '! N48 g2g3 UF=B1' 226 1 226 20 rr_1i6f 1 71 '! V51 set to g- 10mar98 UF=HG1' 229 1 229 33 rr_1i6f 1 72 '! S52 g2t3 UF=B1' 232 1 232 20 rr_1i6f 1 73 '! D53 g2g3 DF=B1' 235 1 235 20 rr_1i6f 1 74 '! S54 g2g3 DF=B1' 238 1 238 20 rr_1i6f 1 75 ; ! N57 g2g3 set UF=B1 ! assign (resid 57 and name n ) (resid 57 and name ca) ! (resid 57 and name cb) (resid 57 and name cg) 1.0 60.0 59.0 2 ! C59 ( B1 ) g2g3 ! assign (resid 59 and name n ) (resid 59 and name ca) ! (resid 59 and name cb) (resid 59 and name sg) 1.0 60.0 59.0 2 ! Proline omega angles; ! PRO 5 ; 241 1 248 9 rr_1i6f 1 76 '! PRO 46' 251 1 251 10 rr_1i6f 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 'Torsional angle constraints for CsE-v5' 1 1 1 38 rr_1i6f 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_1i6f _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER TOXIN 02-MAR-01 1I6F *TITLE NMR SOLUTION STRUCTURE OF THE INSECT-SPECIFIC NEUROTOXIN *TITLE 2 VARIANT 5 (CSE-V5) FROM THE SCORPION CENTRUROIDES *TITLE 3 SCULPTURATUS EWING *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: NEUROTOXIN V-5; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: CSE-V5 *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: CENTRUROIDES SCULPTURATUS; *SOURCE 3 ORGANISM_COMMON: BARK SCORPION; *SOURCE 4 VARIANT: 5 *KEYWDS SCORPION, NEUROTOXIN, SODIUM CHANNEL, ALPHA HELIX, BETA *KEYWDS 2 SHEET, DISULFIDE LINKAGES *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR M.J.JABLONSKY, P.L.JACKSON, N.R.KRISHNA *REVDAT 1 01-AUG-01 1I6F 0 distance constraints for CsE-v5' save_