data_Remediated_restraints_file_for_PDB_entry_1nct # This BMRB archive file contains, for PDB entry 1nct: # # - 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_1nct _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1nct' _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 1nct' _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 1nct 'Master copy' rr_1nct stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1nct _Assembly.ID 1 _Assembly.Name 1nct _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 11869.1736 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 TITIN 1 $TITIN A . no . . . . . . rr_1nct 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TITIN _Entity.Sf_category entity _Entity.Sf_framecode TITIN _Entity.Entry_ID rr_1nct _Entity.ID 1 _Entity.Name TITIN _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ; MHHHHHHSSKTTLAARILTK PRSMTVYEGESARFSCDTDG EPVPTVTWLRKGQVLSTSAR HQVTTTKYKSTFEISSVQAS DEGNYSVVVENSEGKQEAEF TLTIQK ; _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 106 _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 11869.1736 loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . rr_1nct 1 2 . HIS . rr_1nct 1 3 . HIS . rr_1nct 1 4 . HIS . rr_1nct 1 5 . HIS . rr_1nct 1 6 . HIS . rr_1nct 1 7 . HIS . rr_1nct 1 8 . SER . rr_1nct 1 9 . SER . rr_1nct 1 10 . LYS . rr_1nct 1 11 . THR . rr_1nct 1 12 . THR . rr_1nct 1 13 . LEU . rr_1nct 1 14 . ALA . rr_1nct 1 15 . ALA . rr_1nct 1 16 . ARG . rr_1nct 1 17 . ILE . rr_1nct 1 18 . LEU . rr_1nct 1 19 . THR . rr_1nct 1 20 . LYS . rr_1nct 1 21 . PRO . rr_1nct 1 22 . ARG . rr_1nct 1 23 . SER . rr_1nct 1 24 . MET . rr_1nct 1 25 . THR . rr_1nct 1 26 . VAL . rr_1nct 1 27 . TYR . rr_1nct 1 28 . GLU . rr_1nct 1 29 . GLY . rr_1nct 1 30 . GLU . rr_1nct 1 31 . SER . rr_1nct 1 32 . ALA . rr_1nct 1 33 . ARG . rr_1nct 1 34 . PHE . rr_1nct 1 35 . SER . rr_1nct 1 36 . CYS . rr_1nct 1 37 . ASP . rr_1nct 1 38 . THR . rr_1nct 1 39 . ASP . rr_1nct 1 40 . GLY . rr_1nct 1 41 . GLU . rr_1nct 1 42 . PRO . rr_1nct 1 43 . VAL . rr_1nct 1 44 . PRO . rr_1nct 1 45 . THR . rr_1nct 1 46 . VAL . rr_1nct 1 47 . THR . rr_1nct 1 48 . TRP . rr_1nct 1 49 . LEU . rr_1nct 1 50 . ARG . rr_1nct 1 51 . LYS . rr_1nct 1 52 . GLY . rr_1nct 1 53 . GLN . rr_1nct 1 54 . VAL . rr_1nct 1 55 . LEU . rr_1nct 1 56 . SER . rr_1nct 1 57 . THR . rr_1nct 1 58 . SER . rr_1nct 1 59 . ALA . rr_1nct 1 60 . ARG . rr_1nct 1 61 . HIS . rr_1nct 1 62 . GLN . rr_1nct 1 63 . VAL . rr_1nct 1 64 . THR . rr_1nct 1 65 . THR . rr_1nct 1 66 . THR . rr_1nct 1 67 . LYS . rr_1nct 1 68 . TYR . rr_1nct 1 69 . LYS . rr_1nct 1 70 . SER . rr_1nct 1 71 . THR . rr_1nct 1 72 . PHE . rr_1nct 1 73 . GLU . rr_1nct 1 74 . ILE . rr_1nct 1 75 . SER . rr_1nct 1 76 . SER . rr_1nct 1 77 . VAL . rr_1nct 1 78 . GLN . rr_1nct 1 79 . ALA . rr_1nct 1 80 . SER . rr_1nct 1 81 . ASP . rr_1nct 1 82 . GLU . rr_1nct 1 83 . GLY . rr_1nct 1 84 . ASN . rr_1nct 1 85 . TYR . rr_1nct 1 86 . SER . rr_1nct 1 87 . VAL . rr_1nct 1 88 . VAL . rr_1nct 1 89 . VAL . rr_1nct 1 90 . GLU . rr_1nct 1 91 . ASN . rr_1nct 1 92 . SER . rr_1nct 1 93 . GLU . rr_1nct 1 94 . GLY . rr_1nct 1 95 . LYS . rr_1nct 1 96 . GLN . rr_1nct 1 97 . GLU . rr_1nct 1 98 . ALA . rr_1nct 1 99 . GLU . rr_1nct 1 100 . PHE . rr_1nct 1 101 . THR . rr_1nct 1 102 . LEU . rr_1nct 1 103 . THR . rr_1nct 1 104 . ILE . rr_1nct 1 105 . GLN . rr_1nct 1 106 . LYS . rr_1nct 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 rr_1nct 1 . HIS 2 2 rr_1nct 1 . HIS 3 3 rr_1nct 1 . HIS 4 4 rr_1nct 1 . HIS 5 5 rr_1nct 1 . HIS 6 6 rr_1nct 1 . HIS 7 7 rr_1nct 1 . SER 8 8 rr_1nct 1 . SER 9 9 rr_1nct 1 . LYS 10 10 rr_1nct 1 . THR 11 11 rr_1nct 1 . THR 12 12 rr_1nct 1 . LEU 13 13 rr_1nct 1 . ALA 14 14 rr_1nct 1 . ALA 15 15 rr_1nct 1 . ARG 16 16 rr_1nct 1 . ILE 17 17 rr_1nct 1 . LEU 18 18 rr_1nct 1 . THR 19 19 rr_1nct 1 . LYS 20 20 rr_1nct 1 . PRO 21 21 rr_1nct 1 . ARG 22 22 rr_1nct 1 . SER 23 23 rr_1nct 1 . MET 24 24 rr_1nct 1 . THR 25 25 rr_1nct 1 . VAL 26 26 rr_1nct 1 . TYR 27 27 rr_1nct 1 . GLU 28 28 rr_1nct 1 . GLY 29 29 rr_1nct 1 . GLU 30 30 rr_1nct 1 . SER 31 31 rr_1nct 1 . ALA 32 32 rr_1nct 1 . ARG 33 33 rr_1nct 1 . PHE 34 34 rr_1nct 1 . SER 35 35 rr_1nct 1 . CYS 36 36 rr_1nct 1 . ASP 37 37 rr_1nct 1 . THR 38 38 rr_1nct 1 . ASP 39 39 rr_1nct 1 . GLY 40 40 rr_1nct 1 . GLU 41 41 rr_1nct 1 . PRO 42 42 rr_1nct 1 . VAL 43 43 rr_1nct 1 . PRO 44 44 rr_1nct 1 . THR 45 45 rr_1nct 1 . VAL 46 46 rr_1nct 1 . THR 47 47 rr_1nct 1 . TRP 48 48 rr_1nct 1 . LEU 49 49 rr_1nct 1 . ARG 50 50 rr_1nct 1 . LYS 51 51 rr_1nct 1 . GLY 52 52 rr_1nct 1 . GLN 53 53 rr_1nct 1 . VAL 54 54 rr_1nct 1 . LEU 55 55 rr_1nct 1 . SER 56 56 rr_1nct 1 . THR 57 57 rr_1nct 1 . SER 58 58 rr_1nct 1 . ALA 59 59 rr_1nct 1 . ARG 60 60 rr_1nct 1 . HIS 61 61 rr_1nct 1 . GLN 62 62 rr_1nct 1 . VAL 63 63 rr_1nct 1 . THR 64 64 rr_1nct 1 . THR 65 65 rr_1nct 1 . THR 66 66 rr_1nct 1 . LYS 67 67 rr_1nct 1 . TYR 68 68 rr_1nct 1 . LYS 69 69 rr_1nct 1 . SER 70 70 rr_1nct 1 . THR 71 71 rr_1nct 1 . PHE 72 72 rr_1nct 1 . GLU 73 73 rr_1nct 1 . ILE 74 74 rr_1nct 1 . SER 75 75 rr_1nct 1 . SER 76 76 rr_1nct 1 . VAL 77 77 rr_1nct 1 . GLN 78 78 rr_1nct 1 . ALA 79 79 rr_1nct 1 . SER 80 80 rr_1nct 1 . ASP 81 81 rr_1nct 1 . GLU 82 82 rr_1nct 1 . GLY 83 83 rr_1nct 1 . ASN 84 84 rr_1nct 1 . TYR 85 85 rr_1nct 1 . SER 86 86 rr_1nct 1 . VAL 87 87 rr_1nct 1 . VAL 88 88 rr_1nct 1 . VAL 89 89 rr_1nct 1 . GLU 90 90 rr_1nct 1 . ASN 91 91 rr_1nct 1 . SER 92 92 rr_1nct 1 . GLU 93 93 rr_1nct 1 . GLY 94 94 rr_1nct 1 . LYS 95 95 rr_1nct 1 . GLN 96 96 rr_1nct 1 . GLU 97 97 rr_1nct 1 . ALA 98 98 rr_1nct 1 . GLU 99 99 rr_1nct 1 . PHE 100 100 rr_1nct 1 . THR 101 101 rr_1nct 1 . LEU 102 102 rr_1nct 1 . THR 103 103 rr_1nct 1 . ILE 104 104 rr_1nct 1 . GLN 105 105 rr_1nct 1 . LYS 106 106 rr_1nct 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_1nct _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_1nct _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_1nct 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_1nct 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 16 ARG C C 10.742 3.641 7.254 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . rr_1nct 1 . 1 . 2 . 1 1 16 ARG CA C 11.861 2.821 7.895 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . rr_1nct 1 . 1 . 3 . 1 1 16 ARG CB C 12.803 3.723 8.694 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . rr_1nct 1 . 1 . 4 . 1 1 16 ARG CD C 13.073 6.145 8.141 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . rr_1nct 1 . 1 . 5 . 1 1 16 ARG CG C 13.477 4.722 7.751 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . rr_1nct 1 . 1 . 6 . 1 1 16 ARG CZ C 14.415 8.065 8.756 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . rr_1nct 1 . 1 . 7 . 1 1 16 ARG H H 12.899 2.713 6.010 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H . . . . . . . . . rr_1nct 1 . 1 . 8 . 1 1 16 ARG HA H 11.451 2.055 8.535 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . rr_1nct 1 . 1 . 9 . 1 1 16 ARG HB2 H 12.238 4.259 9.443 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . rr_1nct 1 . 1 . 10 . 1 1 16 ARG HB3 H 13.558 3.120 9.175 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . rr_1nct 1 . 1 . 11 . 1 1 16 ARG HD2 H 12.376 6.548 7.418 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . rr_1nct 1 . 1 . 12 . 1 1 16 ARG HD3 H 12.640 6.157 9.129 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . rr_1nct 1 . 1 . 13 . 1 1 16 ARG HE H 15.127 6.574 7.656 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . rr_1nct 1 . 1 . 14 . 1 1 16 ARG HG2 H 14.550 4.618 7.825 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . rr_1nct 1 . 1 . 15 . 1 1 16 ARG HG3 H 13.165 4.526 6.736 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . rr_1nct 1 . 1 . 16 . 1 1 16 ARG HH11 H 12.594 8.667 8.181 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . rr_1nct 1 . 1 . 17 . 1 1 16 ARG HH12 H 13.469 9.778 9.180 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . rr_1nct 1 . 1 . 18 . 1 1 16 ARG HH21 H 16.252 7.731 9.476 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . rr_1nct 1 . 1 . 19 . 1 1 16 ARG HH22 H 15.541 9.249 9.913 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . rr_1nct 1 . 1 . 20 . 1 1 16 ARG N N 12.711 2.214 6.832 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . rr_1nct 1 . 1 . 21 . 1 1 16 ARG NE N 14.344 6.922 8.131 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . rr_1nct 1 . 1 . 22 . 1 1 16 ARG NH1 N 13.415 8.902 8.701 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . rr_1nct 1 . 1 . 23 . 1 1 16 ARG NH2 N 15.486 8.372 9.435 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . rr_1nct 1 . 1 . 24 . 1 1 16 ARG O O 10.990 4.559 6.498 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . rr_1nct 1 . 1 . 25 . 1 1 17 ILE C C 8.239 5.443 7.583 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1nct 1 . 1 . 26 . 1 1 17 ILE CA C 8.385 4.070 6.927 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1nct 1 . 1 . 27 . 1 1 17 ILE CB C 7.145 3.216 7.182 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1nct 1 . 1 . 28 . 1 1 17 ILE CD1 C 6.017 1.059 6.586 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1nct 1 . 1 . 29 . 1 1 17 ILE CG1 C 7.301 1.878 6.452 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1nct 1 . 1 . 30 . 1 1 17 ILE CG2 C 5.907 3.951 6.658 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1nct 1 . 1 . 31 . 1 1 17 ILE H H 9.332 2.562 8.140 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1nct 1 . 1 . 32 . 1 1 17 ILE HA H 8.539 4.178 5.866 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1nct 1 . 1 . 33 . 1 1 17 ILE HB H 7.039 3.041 8.243 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1nct 1 . 1 . 34 . 1 1 17 ILE HD11 H 5.575 1.239 7.553 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1nct 1 . 1 . 35 . 1 1 17 ILE HD12 H 5.322 1.351 5.812 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1nct 1 . 1 . 36 . 1 1 17 ILE HD13 H 6.248 0.010 6.484 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1nct 1 . 1 . 37 . 1 1 17 ILE HG12 H 7.504 2.061 5.408 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1nct 1 . 1 . 38 . 1 1 17 ILE HG13 H 8.122 1.327 6.886 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1nct 1 . 1 . 39 . 1 1 17 ILE HG21 H 6.047 4.193 5.615 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1nct 1 . 1 . 40 . 1 1 17 ILE HG22 H 5.039 3.318 6.768 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1nct 1 . 1 . 41 . 1 1 17 ILE HG23 H 5.763 4.861 7.222 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1nct 1 . 1 . 42 . 1 1 17 ILE N N 9.513 3.312 7.536 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1nct 1 . 1 . 43 . 1 1 17 ILE O O 7.519 5.613 8.547 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1nct 1 . 1 . 44 . 1 1 18 LEU C C 7.340 8.186 7.815 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . rr_1nct 1 . 1 . 45 . 1 1 18 LEU CA C 8.811 7.806 7.620 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . rr_1nct 1 . 1 . 46 . 1 1 18 LEU CB C 9.459 8.689 6.555 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . rr_1nct 1 . 1 . 47 . 1 1 18 LEU CD1 C 10.989 10.642 6.678 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . rr_1nct 1 . 1 . 48 . 1 1 18 LEU CD2 C 8.520 10.992 6.466 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . rr_1nct 1 . 1 . 49 . 1 1 18 LEU CG C 9.612 10.111 7.079 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . rr_1nct 1 . 1 . 50 . 1 1 18 LEU H H 9.475 6.265 6.270 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . rr_1nct 1 . 1 . 51 . 1 1 18 LEU HA H 9.352 7.878 8.546 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . rr_1nct 1 . 1 . 52 . 1 1 18 LEU HB2 H 10.432 8.292 6.304 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . rr_1nct 1 . 1 . 53 . 1 1 18 LEU HB3 H 8.838 8.700 5.673 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . rr_1nct 1 . 1 . 54 . 1 1 18 LEU HD11 H 11.244 10.271 5.695 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . rr_1nct 1 . 1 . 55 . 1 1 18 LEU HD12 H 10.969 11.721 6.662 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . rr_1nct 1 . 1 . 56 . 1 1 18 LEU HD13 H 11.726 10.305 7.391 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . rr_1nct 1 . 1 . 57 . 1 1 18 LEU HD21 H 7.803 10.369 5.950 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . rr_1nct 1 . 1 . 58 . 1 1 18 LEU HD22 H 8.019 11.543 7.248 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . rr_1nct 1 . 1 . 59 . 1 1 18 LEU HD23 H 8.965 11.683 5.766 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . rr_1nct 1 . 1 . 60 . 1 1 18 LEU HG H 9.522 10.113 8.156 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . rr_1nct 1 . 1 . 61 . 1 1 18 LEU N N 8.909 6.429 7.053 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . rr_1nct 1 . 1 . 62 . 1 1 18 LEU O O 6.969 8.842 8.769 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . rr_1nct 1 . 1 . 63 . 1 1 19 THR C C 4.274 6.935 6.314 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . rr_1nct 1 . 1 . 64 . 1 1 19 THR CA C 5.054 8.055 7.007 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . rr_1nct 1 . 1 . 65 . 1 1 19 THR CB C 4.865 9.382 6.270 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . rr_1nct 1 . 1 . 66 . 1 1 19 THR CG2 C 3.398 9.806 6.344 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . rr_1nct 1 . 1 . 67 . 1 1 19 THR H H 6.845 7.228 6.168 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . rr_1nct 1 . 1 . 68 . 1 1 19 THR HA H 4.750 8.151 8.037 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . rr_1nct 1 . 1 . 69 . 1 1 19 THR HB H 5.150 9.264 5.236 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . rr_1nct 1 . 1 . 70 . 1 1 19 THR HG1 H 5.941 11.001 6.195 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . rr_1nct 1 . 1 . 71 . 1 1 19 THR HG21 H 2.768 8.968 6.084 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . rr_1nct 1 . 1 . 72 . 1 1 19 THR HG22 H 3.167 10.132 7.347 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . rr_1nct 1 . 1 . 73 . 1 1 19 THR HG23 H 3.222 10.616 5.652 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . rr_1nct 1 . 1 . 74 . 1 1 19 THR N N 6.509 7.759 6.913 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . rr_1nct 1 . 1 . 75 . 1 1 19 THR O O 4.728 6.369 5.339 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . rr_1nct 1 . 1 . 76 . 1 1 19 THR OG1 O 5.679 10.377 6.876 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . rr_1nct 1 . 1 . 77 . 1 1 20 LYS C C 1.109 6.074 5.452 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_1nct 1 . 1 . 78 . 1 1 20 LYS CA C 2.341 5.505 6.171 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_1nct 1 . 1 . 79 . 1 1 20 LYS CB C 1.936 4.595 7.336 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_1nct 1 . 1 . 80 . 1 1 20 LYS CD C 1.519 5.319 9.692 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_1nct 1 . 1 . 81 . 1 1 20 LYS CE C 2.025 6.714 10.065 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_1nct 1 . 1 . 82 . 1 1 20 LYS CG C 0.972 5.340 8.263 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_1nct 1 . 1 . 83 . 1 1 20 LYS H H 2.765 7.048 7.597 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_1nct 1 . 1 . 84 . 1 1 20 LYS HA H 2.964 4.963 5.477 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_1nct 1 . 1 . 85 . 1 1 20 LYS HB2 H 1.456 3.708 6.953 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_1nct 1 . 1 . 86 . 1 1 20 LYS HB3 H 2.817 4.312 7.892 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_1nct 1 . 1 . 87 . 1 1 20 LYS HD2 H 0.733 5.026 10.373 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_1nct 1 . 1 . 88 . 1 1 20 LYS HD3 H 2.334 4.614 9.756 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_1nct 1 . 1 . 89 . 1 1 20 LYS HE2 H 3.030 6.860 9.692 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_1nct 1 . 1 . 90 . 1 1 20 LYS HE3 H 1.363 7.472 9.676 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_1nct 1 . 1 . 91 . 1 1 20 LYS HG2 H 0.870 6.362 7.930 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_1nct 1 . 1 . 92 . 1 1 20 LYS HG3 H 0.007 4.856 8.243 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_1nct 1 . 1 . 93 . 1 1 20 LYS HZ1 H 1.059 6.509 11.897 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_1nct 1 . 1 . 94 . 1 1 20 LYS HZ2 H 2.693 6.045 11.919 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_1nct 1 . 1 . 95 . 1 1 20 LYS HZ3 H 2.275 7.691 11.886 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_1nct 1 . 1 . 96 . 1 1 20 LYS N N 3.118 6.597 6.807 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_1nct 1 . 1 . 97 . 1 1 20 LYS NZ N 2.012 6.742 11.554 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_1nct 1 . 1 . 98 . 1 1 20 LYS O O 0.860 7.262 5.498 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_1nct 1 . 1 . 99 . 1 1 21 PRO C C -2.059 5.536 4.960 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_1nct 1 . 1 . 100 . 1 1 21 PRO CA C -0.823 5.610 4.060 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_1nct 1 . 1 . 101 . 1 1 21 PRO CB C -0.906 4.571 2.946 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_1nct 1 . 1 . 102 . 1 1 21 PRO CD C 0.607 3.763 4.690 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_1nct 1 . 1 . 103 . 1 1 21 PRO CG C -0.171 3.360 3.457 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_1nct 1 . 1 . 104 . 1 1 21 PRO HA H -0.706 6.596 3.641 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_1nct 1 . 1 . 105 . 1 1 21 PRO HB2 H -1.938 4.324 2.751 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_1nct 1 . 1 . 106 . 1 1 21 PRO HB3 H -0.436 4.938 2.048 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_1nct 1 . 1 . 107 . 1 1 21 PRO HD2 H 0.222 3.252 5.561 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_1nct 1 . 1 . 108 . 1 1 21 PRO HD3 H 1.659 3.559 4.566 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_1nct 1 . 1 . 109 . 1 1 21 PRO HG2 H -0.880 2.585 3.708 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_1nct 1 . 1 . 110 . 1 1 21 PRO HG3 H 0.511 3.001 2.701 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_1nct 1 . 1 . 111 . 1 1 21 PRO N N 0.383 5.202 4.801 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_1nct 1 . 1 . 112 . 1 1 21 PRO O O -2.420 4.483 5.448 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_1nct 1 . 1 . 113 . 1 1 22 ARG C C -4.939 5.611 5.477 . . . 1.0 . . . . . . . . . . . . A . 7 ARG C . . . . . . . . . rr_1nct 1 . 1 . 114 . 1 1 22 ARG CA C -3.933 6.617 6.040 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CA . . . . . . . . . rr_1nct 1 . 1 . 115 . 1 1 22 ARG CB C -4.496 8.037 5.976 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CB . . . . . . . . . rr_1nct 1 . 1 . 116 . 1 1 22 ARG CD C -4.809 9.893 4.334 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CD . . . . . . . . . rr_1nct 1 . 1 . 117 . 1 1 22 ARG CG C -4.862 8.377 4.531 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CG . . . . . . . . . rr_1nct 1 . 1 . 118 . 1 1 22 ARG CZ C -2.983 11.288 3.570 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CZ . . . . . . . . . rr_1nct 1 . 1 . 119 . 1 1 22 ARG H H -2.418 7.481 4.772 . . . 1.0 . . . . . . . . . . . . A . 7 ARG H . . . . . . . . . rr_1nct 1 . 1 . 120 . 1 1 22 ARG HA H -3.672 6.365 7.056 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HA . . . . . . . . . rr_1nct 1 . 1 . 121 . 1 1 22 ARG HB2 H -5.378 8.101 6.597 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB2 . . . . . . . . . rr_1nct 1 . 1 . 122 . 1 1 22 ARG HB3 H -3.753 8.735 6.331 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB3 . . . . . . . . . rr_1nct 1 . 1 . 123 . 1 1 22 ARG HD2 H -5.690 10.233 3.808 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD2 . . . . . . . . . rr_1nct 1 . 1 . 124 . 1 1 22 ARG HD3 H -4.721 10.393 5.286 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD3 . . . . . . . . . rr_1nct 1 . 1 . 125 . 1 1 22 ARG HE H -3.237 9.422 2.940 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HE . . . . . . . . . rr_1nct 1 . 1 . 126 . 1 1 22 ARG HG2 H -4.160 7.901 3.861 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG2 . . . . . . . . . rr_1nct 1 . 1 . 127 . 1 1 22 ARG HG3 H -5.859 8.023 4.318 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG3 . . . . . . . . . rr_1nct 1 . 1 . 128 . 1 1 22 ARG HH11 H -4.649 12.346 3.235 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH11 . . . . . . . . . rr_1nct 1 . 1 . 129 . 1 1 22 ARG HH12 H -3.201 13.274 3.443 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH12 . . . . . . . . . rr_1nct 1 . 1 . 130 . 1 1 22 ARG HH21 H -1.175 10.500 3.917 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH21 . . . . . . . . . rr_1nct 1 . 1 . 131 . 1 1 22 ARG HH22 H -1.235 12.229 3.829 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH22 . . . . . . . . . rr_1nct 1 . 1 . 132 . 1 1 22 ARG N N -2.718 6.641 5.178 . . . 1.0 . . . . . . . . . . . . A . 7 ARG N . . . . . . . . . rr_1nct 1 . 1 . 133 . 1 1 22 ARG NE N -3.587 10.133 3.517 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NE . . . . . . . . . rr_1nct 1 . 1 . 134 . 1 1 22 ARG NH1 N -3.664 12.389 3.403 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH1 . . . . . . . . . rr_1nct 1 . 1 . 135 . 1 1 22 ARG NH2 N -1.698 11.343 3.789 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH2 . . . . . . . . . rr_1nct 1 . 1 . 136 . 1 1 22 ARG O O -4.722 5.023 4.436 . . . 1.0 . . . . . . . . . . . . A . 7 ARG O . . . . . . . . . rr_1nct 1 . 1 . 137 . 1 1 23 SER C C -8.190 5.161 4.956 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_1nct 1 . 1 . 138 . 1 1 23 SER CA C -7.037 4.430 5.641 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_1nct 1 . 1 . 139 . 1 1 23 SER CB C -7.534 3.689 6.877 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_1nct 1 . 1 . 140 . 1 1 23 SER H H -6.197 5.878 6.990 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_1nct 1 . 1 . 141 . 1 1 23 SER HA H -6.575 3.735 4.957 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_1nct 1 . 1 . 142 . 1 1 23 SER HB2 H -8.105 4.359 7.495 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_1nct 1 . 1 . 143 . 1 1 23 SER HB3 H -8.161 2.866 6.570 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_1nct 1 . 1 . 144 . 1 1 23 SER HG H -6.276 3.792 8.356 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_1nct 1 . 1 . 145 . 1 1 23 SER N N -6.034 5.402 6.151 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_1nct 1 . 1 . 146 . 1 1 23 SER O O -8.094 6.325 4.624 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_1nct 1 . 1 . 147 . 1 1 23 SER OG O -6.420 3.203 7.612 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_1nct 1 . 1 . 148 . 1 1 24 MET C C -11.590 4.095 3.990 . . . 1.0 . . . . . . . . . . . . A . 9 MET C . . . . . . . . . rr_1nct 1 . 1 . 149 . 1 1 24 MET CA C -10.446 5.103 4.066 . . . 1.0 . . . . . . . . . . . . A . 9 MET CA . . . . . . . . . rr_1nct 1 . 1 . 150 . 1 1 24 MET CB C -9.959 5.444 2.664 . . . 1.0 . . . . . . . . . . . . A . 9 MET CB . . . . . . . . . rr_1nct 1 . 1 . 151 . 1 1 24 MET CE C -8.362 8.412 2.398 . . . 1.0 . . . . . . . . . . . . A . 9 MET CE . . . . . . . . . rr_1nct 1 . 1 . 152 . 1 1 24 MET CG C -10.535 6.792 2.231 . . . 1.0 . . . . . . . . . . . . A . 9 MET CG . . . . . . . . . rr_1nct 1 . 1 . 153 . 1 1 24 MET H H -9.325 3.542 5.009 . . . 1.0 . . . . . . . . . . . . A . 9 MET H . . . . . . . . . rr_1nct 1 . 1 . 154 . 1 1 24 MET HA H -10.754 5.998 4.580 . . . 1.0 . . . . . . . . . . . . A . 9 MET HA . . . . . . . . . rr_1nct 1 . 1 . 155 . 1 1 24 MET HB2 H -8.884 5.496 2.662 . . . 1.0 . . . . . . . . . . . . A . 9 MET HB2 . . . . . . . . . rr_1nct 1 . 1 . 156 . 1 1 24 MET HB3 H -10.282 4.677 1.982 . . . 1.0 . . . . . . . . . . . . A . 9 MET HB3 . . . . . . . . . rr_1nct 1 . 1 . 157 . 1 1 24 MET HE1 H -8.319 7.766 1.532 . . . 1.0 . . . . . . . . . . . . A . 9 MET HE1 . . . . . . . . . rr_1nct 1 . 1 . 158 . 1 1 24 MET HE2 H -8.334 9.447 2.084 . . . 1.0 . . . . . . . . . . . . A . 9 MET HE2 . . . . . . . . . rr_1nct 1 . 1 . 159 . 1 1 24 MET HE3 H -7.517 8.210 3.037 . . . 1.0 . . . . . . . . . . . . A . 9 MET HE3 . . . . . . . . . rr_1nct 1 . 1 . 160 . 1 1 24 MET HG2 H -10.246 6.992 1.214 . . . 1.0 . . . . . . . . . . . . A . 9 MET HG2 . . . . . . . . . rr_1nct 1 . 1 . 161 . 1 1 24 MET HG3 H -11.610 6.764 2.298 . . . 1.0 . . . . . . . . . . . . A . 9 MET HG3 . . . . . . . . . rr_1nct 1 . 1 . 162 . 1 1 24 MET N N -9.277 4.477 4.737 . . . 1.0 . . . . . . . . . . . . A . 9 MET N . . . . . . . . . rr_1nct 1 . 1 . 163 . 1 1 24 MET O O -11.487 2.986 4.477 . . . 1.0 . . . . . . . . . . . . A . 9 MET O . . . . . . . . . rr_1nct 1 . 1 . 164 . 1 1 24 MET SD S -9.896 8.101 3.306 . . . 1.0 . . . . . . . . . . . . A . 9 MET SD . . . . . . . . . rr_1nct 1 . 1 . 165 . 1 1 25 THR C C -14.787 4.003 2.172 . . . 1.0 . . . . . . . . . . . . A . 10 THR C . . . . . . . . . rr_1nct 1 . 1 . 166 . 1 1 25 THR CA C -13.820 3.522 3.249 . . . 1.0 . . . . . . . . . . . . A . 10 THR CA . . . . . . . . . rr_1nct 1 . 1 . 167 . 1 1 25 THR CB C -14.505 3.542 4.613 . . . 1.0 . . . . . . . . . . . . A . 10 THR CB . . . . . . . . . rr_1nct 1 . 1 . 168 . 1 1 25 THR CG2 C -15.740 2.643 4.575 . . . 1.0 . . . . . . . . . . . . A . 10 THR CG2 . . . . . . . . . rr_1nct 1 . 1 . 169 . 1 1 25 THR H H -12.725 5.356 2.974 . . . 1.0 . . . . . . . . . . . . A . 10 THR H . . . . . . . . . rr_1nct 1 . 1 . 170 . 1 1 25 THR HA H -13.471 2.528 3.024 . . . 1.0 . . . . . . . . . . . . A . 10 THR HA . . . . . . . . . rr_1nct 1 . 1 . 171 . 1 1 25 THR HB H -14.808 4.548 4.843 . . . 1.0 . . . . . . . . . . . . A . 10 THR HB . . . . . . . . . rr_1nct 1 . 1 . 172 . 1 1 25 THR HG1 H -13.524 2.124 5.510 . . . 1.0 . . . . . . . . . . . . A . 10 THR HG1 . . . . . . . . . rr_1nct 1 . 1 . 173 . 1 1 25 THR HG21 H -15.922 2.326 3.559 . . . 1.0 . . . . . . . . . . . . A . 10 THR HG21 . . . . . . . . . rr_1nct 1 . 1 . 174 . 1 1 25 THR HG22 H -15.575 1.778 5.199 . . . 1.0 . . . . . . . . . . . . A . 10 THR HG22 . . . . . . . . . rr_1nct 1 . 1 . 175 . 1 1 25 THR HG23 H -16.596 3.193 4.939 . . . 1.0 . . . . . . . . . . . . A . 10 THR HG23 . . . . . . . . . rr_1nct 1 . 1 . 176 . 1 1 25 THR N N -12.672 4.463 3.369 . . . 1.0 . . . . . . . . . . . . A . 10 THR N . . . . . . . . . rr_1nct 1 . 1 . 177 . 1 1 25 THR O O -15.344 5.080 2.256 . . . 1.0 . . . . . . . . . . . . A . 10 THR O . . . . . . . . . rr_1nct 1 . 1 . 178 . 1 1 25 THR OG1 O -13.607 3.074 5.609 . . . 1.0 . . . . . . . . . . . . A . 10 THR OG1 . . . . . . . . . rr_1nct 1 . 1 . 179 . 1 1 26 VAL C C -16.895 2.475 -0.224 . . . 1.0 . . . . . . . . . . . . A . 11 VAL C . . . . . . . . . rr_1nct 1 . 1 . 180 . 1 1 26 VAL CA C -15.930 3.617 0.083 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CA . . . . . . . . . rr_1nct 1 . 1 . 181 . 1 1 26 VAL CB C -15.037 3.900 -1.119 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CB . . . . . . . . . rr_1nct 1 . 1 . 182 . 1 1 26 VAL CG1 C -14.025 4.984 -0.760 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG1 . . . . . . . . . rr_1nct 1 . 1 . 183 . 1 1 26 VAL CG2 C -14.294 2.626 -1.510 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG2 . . . . . . . . . rr_1nct 1 . 1 . 184 . 1 1 26 VAL H H -14.542 2.356 1.115 . . . 1.0 . . . . . . . . . . . . A . 11 VAL H . . . . . . . . . rr_1nct 1 . 1 . 185 . 1 1 26 VAL HA H -16.466 4.505 0.359 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HA . . . . . . . . . rr_1nct 1 . 1 . 186 . 1 1 26 VAL HB H -15.643 4.231 -1.943 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HB . . . . . . . . . rr_1nct 1 . 1 . 187 . 1 1 26 VAL HG11 H -14.538 5.818 -0.305 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG11 . . . . . . . . . rr_1nct 1 . 1 . 188 . 1 1 26 VAL HG12 H -13.302 4.583 -0.065 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG12 . . . . . . . . . rr_1nct 1 . 1 . 189 . 1 1 26 VAL HG13 H -13.521 5.315 -1.655 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG13 . . . . . . . . . rr_1nct 1 . 1 . 190 . 1 1 26 VAL HG21 H -15.010 1.853 -1.746 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG21 . . . . . . . . . rr_1nct 1 . 1 . 191 . 1 1 26 VAL HG22 H -13.676 2.822 -2.373 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG22 . . . . . . . . . rr_1nct 1 . 1 . 192 . 1 1 26 VAL HG23 H -13.674 2.305 -0.687 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG23 . . . . . . . . . rr_1nct 1 . 1 . 193 . 1 1 26 VAL N N -14.995 3.211 1.162 . . . 1.0 . . . . . . . . . . . . A . 11 VAL N . . . . . . . . . rr_1nct 1 . 1 . 194 . 1 1 26 VAL O O -16.799 1.403 0.339 . . . 1.0 . . . . . . . . . . . . A . 11 VAL O . . . . . . . . . rr_1nct 1 . 1 . 195 . 1 1 27 TYR C C -18.112 0.698 -2.524 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . rr_1nct 1 . 1 . 196 . 1 1 27 TYR CA C -18.758 1.594 -1.471 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . rr_1nct 1 . 1 . 197 . 1 1 27 TYR CB C -19.987 2.291 -2.050 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . rr_1nct 1 . 1 . 198 . 1 1 27 TYR CD1 C -21.492 1.405 -0.219 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . rr_1nct 1 . 1 . 199 . 1 1 27 TYR CD2 C -22.184 1.141 -2.529 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . rr_1nct 1 . 1 . 200 . 1 1 27 TYR CE1 C -22.666 0.771 0.202 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . rr_1nct 1 . 1 . 201 . 1 1 27 TYR CE2 C -23.361 0.516 -2.104 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . rr_1nct 1 . 1 . 202 . 1 1 27 TYR CG C -21.248 1.591 -1.587 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . rr_1nct 1 . 1 . 203 . 1 1 27 TYR CZ C -23.603 0.331 -0.739 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . rr_1nct 1 . 1 . 204 . 1 1 27 TYR H H -17.868 3.552 -1.578 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . rr_1nct 1 . 1 . 205 . 1 1 27 TYR HA H -19.020 1.032 -0.591 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . rr_1nct 1 . 1 . 206 . 1 1 27 TYR HB2 H -20.002 3.318 -1.721 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . rr_1nct 1 . 1 . 207 . 1 1 27 TYR HB3 H -19.938 2.263 -3.128 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . rr_1nct 1 . 1 . 208 . 1 1 27 TYR HD1 H -20.766 1.728 0.510 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . rr_1nct 1 . 1 . 209 . 1 1 27 TYR HD2 H -21.995 1.268 -3.583 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . rr_1nct 1 . 1 . 210 . 1 1 27 TYR HE1 H -22.851 0.622 1.255 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . rr_1nct 1 . 1 . 211 . 1 1 27 TYR HE2 H -24.078 0.164 -2.833 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . rr_1nct 1 . 1 . 212 . 1 1 27 TYR HH H -24.534 -0.871 0.408 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . rr_1nct 1 . 1 . 213 . 1 1 27 TYR N N -17.812 2.685 -1.123 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . rr_1nct 1 . 1 . 214 . 1 1 27 TYR O O -18.402 -0.474 -2.629 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . rr_1nct 1 . 1 . 215 . 1 1 27 TYR OH O -24.762 -0.288 -0.319 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . rr_1nct 1 . 1 . 216 . 1 1 28 GLU C C -15.199 1.094 -4.710 . . . 1.0 . . . . . . . . . . . . A . 13 GLU C . . . . . . . . . rr_1nct 1 . 1 . 217 . 1 1 28 GLU CA C -16.552 0.449 -4.361 . . . 1.0 . . . . . . . . . . . . A . 13 GLU CA . . . . . . . . . rr_1nct 1 . 1 . 218 . 1 1 28 GLU CB C -17.522 0.470 -5.546 . . . 1.0 . . . . . . . . . . . . A . 13 GLU CB . . . . . . . . . rr_1nct 1 . 1 . 219 . 1 1 28 GLU CD C -18.834 1.937 -7.087 . . . 1.0 . . . . . . . . . . . . A . 13 GLU CD . . . . . . . . . rr_1nct 1 . 1 . 220 . 1 1 28 GLU CG C -17.836 1.919 -5.928 . . . 1.0 . . . . . . . . . . . . A . 13 GLU CG . . . . . . . . . rr_1nct 1 . 1 . 221 . 1 1 28 GLU H H -17.014 2.204 -3.199 . . . 1.0 . . . . . . . . . . . . A . 13 GLU H . . . . . . . . . rr_1nct 1 . 1 . 222 . 1 1 28 GLU HA H -16.406 -0.565 -4.022 . . . 1.0 . . . . . . . . . . . . A . 13 GLU HA . . . . . . . . . rr_1nct 1 . 1 . 223 . 1 1 28 GLU HB2 H -17.074 -0.037 -6.388 . . . 1.0 . . . . . . . . . . . . A . 13 GLU HB2 . . . . . . . . . rr_1nct 1 . 1 . 224 . 1 1 28 GLU HB3 H -18.437 -0.032 -5.270 . . . 1.0 . . . . . . . . . . . . A . 13 GLU HB3 . . . . . . . . . rr_1nct 1 . 1 . 225 . 1 1 28 GLU HG2 H -18.261 2.428 -5.078 . . . 1.0 . . . . . . . . . . . . A . 13 GLU HG2 . . . . . . . . . rr_1nct 1 . 1 . 226 . 1 1 28 GLU HG3 H -16.929 2.418 -6.229 . . . 1.0 . . . . . . . . . . . . A . 13 GLU HG3 . . . . . . . . . rr_1nct 1 . 1 . 227 . 1 1 28 GLU N N -17.230 1.253 -3.306 . . . 1.0 . . . . . . . . . . . . A . 13 GLU N . . . . . . . . . rr_1nct 1 . 1 . 228 . 1 1 28 GLU O O -14.399 1.361 -3.838 . . . 1.0 . . . . . . . . . . . . A . 13 GLU O . . . . . . . . . rr_1nct 1 . 1 . 229 . 1 1 28 GLU OE1 O -19.621 1.009 -7.181 . . . 1.0 . . . . . . . . . . . . A . 13 GLU OE1 . . . . . . . . . rr_1nct 1 . 1 . 230 . 1 1 28 GLU OE2 O -18.794 2.878 -7.863 . . . 1.0 . . . . . . . . . . . . A . 13 GLU OE2 . . . . . . . . . rr_1nct 1 . 1 . 231 . 1 1 29 GLY C C -13.819 3.468 -6.549 . . . 1.0 . . . . . . . . . . . . A . 14 GLY C . . . . . . . . . rr_1nct 1 . 1 . 232 . 1 1 29 GLY CA C -13.619 1.970 -6.320 . . . 1.0 . . . . . . . . . . . . A . 14 GLY CA . . . . . . . . . rr_1nct 1 . 1 . 233 . 1 1 29 GLY H H -15.564 1.128 -6.664 . . . 1.0 . . . . . . . . . . . . A . 14 GLY H . . . . . . . . . rr_1nct 1 . 1 . 234 . 1 1 29 GLY HA2 H -12.915 1.817 -5.514 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA2 . . . . . . . . . rr_1nct 1 . 1 . 235 . 1 1 29 GLY HA3 H -13.240 1.519 -7.222 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA3 . . . . . . . . . rr_1nct 1 . 1 . 236 . 1 1 29 GLY N N -14.924 1.346 -5.962 . . . 1.0 . . . . . . . . . . . . A . 14 GLY N . . . . . . . . . rr_1nct 1 . 1 . 237 . 1 1 29 GLY O O -13.527 3.988 -7.609 . . . 1.0 . . . . . . . . . . . . A . 14 GLY O . . . . . . . . . rr_1nct 1 . 1 . 238 . 1 1 30 GLU C C -13.239 6.306 -6.208 . . . 1.0 . . . . . . . . . . . . A . 15 GLU C . . . . . . . . . rr_1nct 1 . 1 . 239 . 1 1 30 GLU CA C -14.528 5.632 -5.733 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CA . . . . . . . . . rr_1nct 1 . 1 . 240 . 1 1 30 GLU CB C -14.930 6.139 -4.346 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CB . . . . . . . . . rr_1nct 1 . 1 . 241 . 1 1 30 GLU CD C -16.478 7.971 -5.048 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CD . . . . . . . . . rr_1nct 1 . 1 . 242 . 1 1 30 GLU CG C -16.389 6.599 -4.376 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CG . . . . . . . . . rr_1nct 1 . 1 . 243 . 1 1 30 GLU H H -14.538 3.731 -4.718 . . . 1.0 . . . . . . . . . . . . A . 15 GLU H . . . . . . . . . rr_1nct 1 . 1 . 244 . 1 1 30 GLU HA H -15.322 5.816 -6.434 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HA . . . . . . . . . rr_1nct 1 . 1 . 245 . 1 1 30 GLU HB2 H -14.816 5.343 -3.625 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB2 . . . . . . . . . rr_1nct 1 . 1 . 246 . 1 1 30 GLU HB3 H -14.301 6.971 -4.069 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB3 . . . . . . . . . rr_1nct 1 . 1 . 247 . 1 1 30 GLU HG2 H -16.979 5.885 -4.932 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG2 . . . . . . . . . rr_1nct 1 . 1 . 248 . 1 1 30 GLU HG3 H -16.765 6.669 -3.367 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG3 . . . . . . . . . rr_1nct 1 . 1 . 249 . 1 1 30 GLU N N -14.312 4.168 -5.566 . . . 1.0 . . . . . . . . . . . . A . 15 GLU N . . . . . . . . . rr_1nct 1 . 1 . 250 . 1 1 30 GLU O O -13.054 6.562 -7.381 . . . 1.0 . . . . . . . . . . . . A . 15 GLU O . . . . . . . . . rr_1nct 1 . 1 . 251 . 1 1 30 GLU OE1 O -15.452 8.622 -5.165 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE1 . . . . . . . . . rr_1nct 1 . 1 . 252 . 1 1 30 GLU OE2 O -17.572 8.348 -5.435 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE2 . . . . . . . . . rr_1nct 1 . 1 . 253 . 1 1 31 SER C C -10.239 7.578 -4.447 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . rr_1nct 1 . 1 . 254 . 1 1 31 SER CA C -11.059 7.255 -5.696 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . rr_1nct 1 . 1 . 255 . 1 1 31 SER CB C -11.455 8.549 -6.415 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . rr_1nct 1 . 1 . 256 . 1 1 31 SER H H -12.513 6.377 -4.367 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . rr_1nct 1 . 1 . 257 . 1 1 31 SER HA H -10.497 6.620 -6.362 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . rr_1nct 1 . 1 . 258 . 1 1 31 SER HB2 H -10.709 9.305 -6.236 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . rr_1nct 1 . 1 . 259 . 1 1 31 SER HB3 H -11.525 8.361 -7.478 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . rr_1nct 1 . 1 . 260 . 1 1 31 SER HG H -12.620 9.130 -4.969 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . rr_1nct 1 . 1 . 261 . 1 1 31 SER N N -12.344 6.596 -5.305 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . rr_1nct 1 . 1 . 262 . 1 1 31 SER O O -9.812 8.697 -4.246 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . rr_1nct 1 . 1 . 263 . 1 1 31 SER OG O -12.707 9.001 -5.917 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . rr_1nct 1 . 1 . 264 . 1 1 32 ALA C C -7.727 6.778 -2.692 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_1nct 1 . 1 . 265 . 1 1 32 ALA CA C -9.220 6.859 -2.372 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_1nct 1 . 1 . 266 . 1 1 32 ALA CB C -9.624 5.747 -1.404 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_1nct 1 . 1 . 267 . 1 1 32 ALA H H -10.367 5.711 -3.789 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_1nct 1 . 1 . 268 . 1 1 32 ALA HA H -9.466 7.822 -1.954 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_1nct 1 . 1 . 269 . 1 1 32 ALA HB1 H -10.701 5.697 -1.343 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_1nct 1 . 1 . 270 . 1 1 32 ALA HB2 H -9.239 4.803 -1.759 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_1nct 1 . 1 . 271 . 1 1 32 ALA HB3 H -9.218 5.957 -0.425 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_1nct 1 . 1 . 272 . 1 1 32 ALA N N -10.015 6.607 -3.606 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_1nct 1 . 1 . 273 . 1 1 32 ALA O O -7.246 5.782 -3.193 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_1nct 1 . 1 . 274 . 1 1 33 ARG C C -4.725 7.693 -1.413 . . . 1.0 . . . . . . . . . . . . A . 18 ARG C . . . . . . . . . rr_1nct 1 . 1 . 275 . 1 1 33 ARG CA C -5.531 7.800 -2.710 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CA . . . . . . . . . rr_1nct 1 . 1 . 276 . 1 1 33 ARG CB C -5.251 9.131 -3.407 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CB . . . . . . . . . rr_1nct 1 . 1 . 277 . 1 1 33 ARG CD C -3.238 9.903 -4.672 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CD . . . . . . . . . rr_1nct 1 . 1 . 278 . 1 1 33 ARG CG C -4.382 8.887 -4.643 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CG . . . . . . . . . rr_1nct 1 . 1 . 279 . 1 1 33 ARG CZ C -3.256 12.283 -5.118 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CZ . . . . . . . . . rr_1nct 1 . 1 . 280 . 1 1 33 ARG H H -7.401 8.616 -2.014 . . . 1.0 . . . . . . . . . . . . A . 18 ARG H . . . . . . . . . rr_1nct 1 . 1 . 281 . 1 1 33 ARG HA H -5.293 6.982 -3.371 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HA . . . . . . . . . rr_1nct 1 . 1 . 282 . 1 1 33 ARG HB2 H -6.185 9.584 -3.707 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HB2 . . . . . . . . . rr_1nct 1 . 1 . 283 . 1 1 33 ARG HB3 H -4.731 9.791 -2.729 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HB3 . . . . . . . . . rr_1nct 1 . 1 . 284 . 1 1 33 ARG HD2 H -2.902 10.117 -3.666 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HD2 . . . . . . . . . rr_1nct 1 . 1 . 285 . 1 1 33 ARG HD3 H -2.422 9.534 -5.273 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HD3 . . . . . . . . . rr_1nct 1 . 1 . 286 . 1 1 33 ARG HE H -4.633 11.050 -5.843 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HE . . . . . . . . . rr_1nct 1 . 1 . 287 . 1 1 33 ARG HG2 H -3.975 7.887 -4.604 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HG2 . . . . . . . . . rr_1nct 1 . 1 . 288 . 1 1 33 ARG HG3 H -4.982 8.998 -5.533 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HG3 . . . . . . . . . rr_1nct 1 . 1 . 289 . 1 1 33 ARG HH11 H -1.726 11.897 -6.351 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH11 . . . . . . . . . rr_1nct 1 . 1 . 290 . 1 1 33 ARG HH12 H -1.709 13.458 -5.601 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH12 . . . . . . . . . rr_1nct 1 . 1 . 291 . 1 1 33 ARG HH21 H -4.652 12.939 -3.843 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH21 . . . . . . . . . rr_1nct 1 . 1 . 292 . 1 1 33 ARG HH22 H -3.366 14.048 -4.181 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH22 . . . . . . . . . rr_1nct 1 . 1 . 293 . 1 1 33 ARG N N -6.992 7.820 -2.414 . . . 1.0 . . . . . . . . . . . . A . 18 ARG N . . . . . . . . . rr_1nct 1 . 1 . 294 . 1 1 33 ARG NE N -3.823 11.121 -5.297 . . . 1.0 . . . . . . . . . . . . A . 18 ARG NE . . . . . . . . . rr_1nct 1 . 1 . 295 . 1 1 33 ARG NH1 N -2.144 12.568 -5.739 . . . 1.0 . . . . . . . . . . . . A . 18 ARG NH1 . . . . . . . . . rr_1nct 1 . 1 . 296 . 1 1 33 ARG NH2 N -3.800 13.158 -4.318 . . . 1.0 . . . . . . . . . . . . A . 18 ARG NH2 . . . . . . . . . rr_1nct 1 . 1 . 297 . 1 1 33 ARG O O -5.117 8.200 -0.381 . . . 1.0 . . . . . . . . . . . . A . 18 ARG O . . . . . . . . . rr_1nct 1 . 1 . 298 . 1 1 34 PHE C C -1.290 7.118 -0.552 . . . 1.0 . . . . . . . . . . . . A . 19 PHE C . . . . . . . . . rr_1nct 1 . 1 . 299 . 1 1 34 PHE CA C -2.766 6.888 -0.229 . . . 1.0 . . . . . . . . . . . . A . 19 PHE CA . . . . . . . . . rr_1nct 1 . 1 . 300 . 1 1 34 PHE CB C -2.973 5.444 0.230 . . . 1.0 . . . . . . . . . . . . A . 19 PHE CB . . . . . . . . . rr_1nct 1 . 1 . 301 . 1 1 34 PHE CD1 C -5.187 5.927 1.319 . . . 1.0 . . . . . . . . . . . . A . 19 PHE CD1 . . . . . . . . . rr_1nct 1 . 1 . 302 . 1 1 34 PHE CD2 C -5.062 4.164 -0.338 . . . 1.0 . . . . . . . . . . . . A . 19 PHE CD2 . . . . . . . . . rr_1nct 1 . 1 . 303 . 1 1 34 PHE CE1 C -6.552 5.675 1.483 . . . 1.0 . . . . . . . . . . . . A . 19 PHE CE1 . . . . . . . . . rr_1nct 1 . 1 . 304 . 1 1 34 PHE CE2 C -6.426 3.912 -0.176 . . . 1.0 . . . . . . . . . . . . A . 19 PHE CE2 . . . . . . . . . rr_1nct 1 . 1 . 305 . 1 1 34 PHE CG C -4.443 5.172 0.408 . . . 1.0 . . . . . . . . . . . . A . 19 PHE CG . . . . . . . . . rr_1nct 1 . 1 . 306 . 1 1 34 PHE CZ C -7.174 4.667 0.736 . . . 1.0 . . . . . . . . . . . . A . 19 PHE CZ . . . . . . . . . rr_1nct 1 . 1 . 307 . 1 1 34 PHE H H -3.308 6.630 -2.304 . . . 1.0 . . . . . . . . . . . . A . 19 PHE H . . . . . . . . . rr_1nct 1 . 1 . 308 . 1 1 34 PHE HA H -3.098 7.569 0.537 . . . 1.0 . . . . . . . . . . . . A . 19 PHE HA . . . . . . . . . rr_1nct 1 . 1 . 309 . 1 1 34 PHE HB2 H -2.570 4.770 -0.512 . . . 1.0 . . . . . . . . . . . . A . 19 PHE HB2 . . . . . . . . . rr_1nct 1 . 1 . 310 . 1 1 34 PHE HB3 H -2.463 5.291 1.168 . . . 1.0 . . . . . . . . . . . . A . 19 PHE HB3 . . . . . . . . . rr_1nct 1 . 1 . 311 . 1 1 34 PHE HD1 H -4.707 6.704 1.895 . . . 1.0 . . . . . . . . . . . . A . 19 PHE HD1 . . . . . . . . . rr_1nct 1 . 1 . 312 . 1 1 34 PHE HD2 H -4.485 3.580 -1.038 . . . 1.0 . . . . . . . . . . . . A . 19 PHE HD2 . . . . . . . . . rr_1nct 1 . 1 . 313 . 1 1 34 PHE HE1 H -7.125 6.257 2.187 . . . 1.0 . . . . . . . . . . . . A . 19 PHE HE1 . . . . . . . . . rr_1nct 1 . 1 . 314 . 1 1 34 PHE HE2 H -6.901 3.134 -0.754 . . . 1.0 . . . . . . . . . . . . A . 19 PHE HE2 . . . . . . . . . rr_1nct 1 . 1 . 315 . 1 1 34 PHE HZ H -8.228 4.472 0.862 . . . 1.0 . . . . . . . . . . . . A . 19 PHE HZ . . . . . . . . . rr_1nct 1 . 1 . 316 . 1 1 34 PHE N N -3.601 7.033 -1.460 . . . 1.0 . . . . . . . . . . . . A . 19 PHE N . . . . . . . . . rr_1nct 1 . 1 . 317 . 1 1 34 PHE O O -0.912 7.306 -1.691 . . . 1.0 . . . . . . . . . . . . A . 19 PHE O . . . . . . . . . rr_1nct 1 . 1 . 318 . 1 1 35 SER C C 1.806 7.106 1.478 . . . 1.0 . . . . . . . . . . . . A . 20 SER C . . . . . . . . . rr_1nct 1 . 1 . 319 . 1 1 35 SER CA C 1.006 7.281 0.195 . . . 1.0 . . . . . . . . . . . . A . 20 SER CA . . . . . . . . . rr_1nct 1 . 1 . 320 . 1 1 35 SER CB C 1.156 8.703 -0.319 . . . 1.0 . . . . . . . . . . . . A . 20 SER CB . . . . . . . . . rr_1nct 1 . 1 . 321 . 1 1 35 SER H H -0.772 6.918 1.355 . . . 1.0 . . . . . . . . . . . . A . 20 SER H . . . . . . . . . rr_1nct 1 . 1 . 322 . 1 1 35 SER HA H 1.352 6.590 -0.549 . . . 1.0 . . . . . . . . . . . . A . 20 SER HA . . . . . . . . . rr_1nct 1 . 1 . 323 . 1 1 35 SER HB2 H 0.910 8.735 -1.367 . . . 1.0 . . . . . . . . . . . . A . 20 SER HB2 . . . . . . . . . rr_1nct 1 . 1 . 324 . 1 1 35 SER HB3 H 0.491 9.354 0.229 . . . 1.0 . . . . . . . . . . . . A . 20 SER HB3 . . . . . . . . . rr_1nct 1 . 1 . 325 . 1 1 35 SER HG H 2.598 9.444 0.757 . . . 1.0 . . . . . . . . . . . . A . 20 SER HG . . . . . . . . . rr_1nct 1 . 1 . 326 . 1 1 35 SER N N -0.448 7.085 0.445 . . . 1.0 . . . . . . . . . . . . A . 20 SER N . . . . . . . . . rr_1nct 1 . 1 . 327 . 1 1 35 SER O O 1.497 7.674 2.506 . . . 1.0 . . . . . . . . . . . . A . 20 SER O . . . . . . . . . rr_1nct 1 . 1 . 328 . 1 1 35 SER OG O 2.504 9.119 -0.141 . . . 1.0 . . . . . . . . . . . . A . 20 SER OG . . . . . . . . . rr_1nct 1 . 1 . 329 . 1 1 36 CYS C C 5.136 6.508 2.259 . . . 1.0 . . . . . . . . . . . . A . 21 CYS C . . . . . . . . . rr_1nct 1 . 1 . 330 . 1 1 36 CYS CA C 3.698 6.116 2.602 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CA . . . . . . . . . rr_1nct 1 . 1 . 331 . 1 1 36 CYS CB C 3.591 4.621 2.889 . . . 1.0 . . . . . . . . . . . . A . 21 CYS CB . . . . . . . . . rr_1nct 1 . 1 . 332 . 1 1 36 CYS H H 3.073 5.903 0.560 . . . 1.0 . . . . . . . . . . . . A . 21 CYS H . . . . . . . . . rr_1nct 1 . 1 . 333 . 1 1 36 CYS HA H 3.330 6.686 3.441 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HA . . . . . . . . . rr_1nct 1 . 1 . 334 . 1 1 36 CYS HB2 H 4.213 4.373 3.732 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB2 . . . . . . . . . rr_1nct 1 . 1 . 335 . 1 1 36 CYS HB3 H 2.565 4.373 3.111 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HB3 . . . . . . . . . rr_1nct 1 . 1 . 336 . 1 1 36 CYS HG H 4.558 2.876 1.756 . . . 1.0 . . . . . . . . . . . . A . 21 CYS HG . . . . . . . . . rr_1nct 1 . 1 . 337 . 1 1 36 CYS N N 2.844 6.334 1.409 . . . 1.0 . . . . . . . . . . . . A . 21 CYS N . . . . . . . . . rr_1nct 1 . 1 . 338 . 1 1 36 CYS O O 5.699 6.026 1.302 . . . 1.0 . . . . . . . . . . . . A . 21 CYS O . . . . . . . . . rr_1nct 1 . 1 . 339 . 1 1 36 CYS SG S 4.133 3.679 1.444 . . . 1.0 . . . . . . . . . . . . A . 21 CYS SG . . . . . . . . . rr_1nct 1 . 1 . 340 . 1 1 37 ASP C C 8.124 6.882 3.393 . . . 1.0 . . . . . . . . . . . . A . 22 ASP C . . . . . . . . . rr_1nct 1 . 1 . 341 . 1 1 37 ASP CA C 7.133 7.790 2.675 . . . 1.0 . . . . . . . . . . . . A . 22 ASP CA . . . . . . . . . rr_1nct 1 . 1 . 342 . 1 1 37 ASP CB C 7.277 9.230 3.160 . . . 1.0 . . . . . . . . . . . . A . 22 ASP CB . . . . . . . . . rr_1nct 1 . 1 . 343 . 1 1 37 ASP CG C 6.092 10.074 2.674 . . . 1.0 . . . . . . . . . . . . A . 22 ASP CG . . . . . . . . . rr_1nct 1 . 1 . 344 . 1 1 37 ASP H H 5.276 7.784 3.777 . . . 1.0 . . . . . . . . . . . . A . 22 ASP H . . . . . . . . . rr_1nct 1 . 1 . 345 . 1 1 37 ASP HA H 7.289 7.742 1.611 . . . 1.0 . . . . . . . . . . . . A . 22 ASP HA . . . . . . . . . rr_1nct 1 . 1 . 346 . 1 1 37 ASP HB2 H 7.312 9.236 4.233 . . . 1.0 . . . . . . . . . . . . A . 22 ASP HB2 . . . . . . . . . rr_1nct 1 . 1 . 347 . 1 1 37 ASP HB3 H 8.192 9.644 2.772 . . . 1.0 . . . . . . . . . . . . A . 22 ASP HB3 . . . . . . . . . rr_1nct 1 . 1 . 348 . 1 1 37 ASP N N 5.736 7.386 3.009 . . . 1.0 . . . . . . . . . . . . A . 22 ASP N . . . . . . . . . rr_1nct 1 . 1 . 349 . 1 1 37 ASP O O 8.243 6.907 4.597 . . . 1.0 . . . . . . . . . . . . A . 22 ASP O . . . . . . . . . rr_1nct 1 . 1 . 350 . 1 1 37 ASP OD1 O 5.350 9.592 1.832 . . . 1.0 . . . . . . . . . . . . A . 22 ASP OD1 . . . . . . . . . rr_1nct 1 . 1 . 351 . 1 1 37 ASP OD2 O 5.948 11.187 3.153 . . . 1.0 . . . . . . . . . . . . A . 22 ASP OD2 . . . . . . . . . rr_1nct 1 . 1 . 352 . 1 1 38 THR C C 11.225 5.465 2.851 . . . 1.0 . . . . . . . . . . . . A . 23 THR C . . . . . . . . . rr_1nct 1 . 1 . 353 . 1 1 38 THR CA C 9.803 5.155 3.316 . . . 1.0 . . . . . . . . . . . . A . 23 THR CA . . . . . . . . . rr_1nct 1 . 1 . 354 . 1 1 38 THR CB C 9.391 3.749 2.879 . . . 1.0 . . . . . . . . . . . . A . 23 THR CB . . . . . . . . . rr_1nct 1 . 1 . 355 . 1 1 38 THR CG2 C 7.883 3.565 3.075 . . . 1.0 . . . . . . . . . . . . A . 23 THR CG2 . . . . . . . . . rr_1nct 1 . 1 . 356 . 1 1 38 THR H H 8.711 6.058 1.695 . . . 1.0 . . . . . . . . . . . . A . 23 THR H . . . . . . . . . rr_1nct 1 . 1 . 357 . 1 1 38 THR HA H 9.735 5.239 4.389 . . . 1.0 . . . . . . . . . . . . A . 23 THR HA . . . . . . . . . rr_1nct 1 . 1 . 358 . 1 1 38 THR HB H 9.920 3.023 3.477 . . . 1.0 . . . . . . . . . . . . A . 23 THR HB . . . . . . . . . rr_1nct 1 . 1 . 359 . 1 1 38 THR HG1 H 10.627 3.259 1.460 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG1 . . . . . . . . . rr_1nct 1 . 1 . 360 . 1 1 38 THR HG21 H 7.497 4.380 3.670 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG21 . . . . . . . . . rr_1nct 1 . 1 . 361 . 1 1 38 THR HG22 H 7.394 3.561 2.113 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG22 . . . . . . . . . rr_1nct 1 . 1 . 362 . 1 1 38 THR HG23 H 7.695 2.632 3.579 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG23 . . . . . . . . . rr_1nct 1 . 1 . 363 . 1 1 38 THR N N 8.829 6.073 2.664 . . . 1.0 . . . . . . . . . . . . A . 23 THR N . . . . . . . . . rr_1nct 1 . 1 . 364 . 1 1 38 THR O O 11.486 5.638 1.678 . . . 1.0 . . . . . . . . . . . . A . 23 THR O . . . . . . . . . rr_1nct 1 . 1 . 365 . 1 1 38 THR OG1 O 9.719 3.566 1.509 . . . 1.0 . . . . . . . . . . . . A . 23 THR OG1 . . . . . . . . . rr_1nct 1 . 1 . 366 . 1 1 39 ASP C C 14.417 4.564 3.536 . . . 1.0 . . . . . . . . . . . . A . 24 ASP C . . . . . . . . . rr_1nct 1 . 1 . 367 . 1 1 39 ASP CA C 13.559 5.826 3.398 . . . 1.0 . . . . . . . . . . . . A . 24 ASP CA . . . . . . . . . rr_1nct 1 . 1 . 368 . 1 1 39 ASP CB C 14.016 6.895 4.388 . . . 1.0 . . . . . . . . . . . . A . 24 ASP CB . . . . . . . . . rr_1nct 1 . 1 . 369 . 1 1 39 ASP CG C 13.651 8.280 3.850 . . . 1.0 . . . . . . . . . . . . A . 24 ASP CG . . . . . . . . . rr_1nct 1 . 1 . 370 . 1 1 39 ASP H H 11.901 5.385 4.707 . . . 1.0 . . . . . . . . . . . . A . 24 ASP H . . . . . . . . . rr_1nct 1 . 1 . 371 . 1 1 39 ASP HA H 13.612 6.210 2.393 . . . 1.0 . . . . . . . . . . . . A . 24 ASP HA . . . . . . . . . rr_1nct 1 . 1 . 372 . 1 1 39 ASP HB2 H 13.527 6.736 5.336 . . . 1.0 . . . . . . . . . . . . A . 24 ASP HB2 . . . . . . . . . rr_1nct 1 . 1 . 373 . 1 1 39 ASP HB3 H 15.086 6.832 4.519 . . . 1.0 . . . . . . . . . . . . A . 24 ASP HB3 . . . . . . . . . rr_1nct 1 . 1 . 374 . 1 1 39 ASP N N 12.144 5.532 3.770 . . . 1.0 . . . . . . . . . . . . A . 24 ASP N . . . . . . . . . rr_1nct 1 . 1 . 375 . 1 1 39 ASP O O 14.021 3.599 4.158 . . . 1.0 . . . . . . . . . . . . A . 24 ASP O . . . . . . . . . rr_1nct 1 . 1 . 376 . 1 1 39 ASP OD1 O 12.472 8.592 3.825 . . . 1.0 . . . . . . . . . . . . A . 24 ASP OD1 . . . . . . . . . rr_1nct 1 . 1 . 377 . 1 1 39 ASP OD2 O 14.557 9.004 3.472 . . . 1.0 . . . . . . . . . . . . A . 24 ASP OD2 . . . . . . . . . rr_1nct 1 . 1 . 378 . 1 1 40 GLY C C 17.669 3.547 2.109 . . . 1.0 . . . . . . . . . . . . A . 25 GLY C . . . . . . . . . rr_1nct 1 . 1 . 379 . 1 1 40 GLY CA C 16.479 3.373 3.056 . . . 1.0 . . . . . . . . . . . . A . 25 GLY CA . . . . . . . . . rr_1nct 1 . 1 . 380 . 1 1 40 GLY H H 15.889 5.360 2.467 . . . 1.0 . . . . . . . . . . . . A . 25 GLY H . . . . . . . . . rr_1nct 1 . 1 . 381 . 1 1 40 GLY HA2 H 16.835 3.269 4.071 . . . 1.0 . . . . . . . . . . . . A . 25 GLY HA2 . . . . . . . . . rr_1nct 1 . 1 . 382 . 1 1 40 GLY HA3 H 15.926 2.490 2.775 . . . 1.0 . . . . . . . . . . . . A . 25 GLY HA3 . . . . . . . . . rr_1nct 1 . 1 . 383 . 1 1 40 GLY N N 15.591 4.569 2.961 . . . 1.0 . . . . . . . . . . . . A . 25 GLY N . . . . . . . . . rr_1nct 1 . 1 . 384 . 1 1 40 GLY O O 17.664 4.400 1.243 . . . 1.0 . . . . . . . . . . . . A . 25 GLY O . . . . . . . . . rr_1nct 1 . 1 . 385 . 1 1 41 GLU C C 20.201 1.528 0.695 . . . 1.0 . . . . . . . . . . . . A . 26 GLU C . . . . . . . . . rr_1nct 1 . 1 . 386 . 1 1 41 GLU CA C 19.879 2.881 1.368 . . . 1.0 . . . . . . . . . . . . A . 26 GLU CA . . . . . . . . . rr_1nct 1 . 1 . 387 . 1 1 41 GLU CB C 21.021 3.300 2.292 . . . 1.0 . . . . . . . . . . . . A . 26 GLU CB . . . . . . . . . rr_1nct 1 . 1 . 388 . 1 1 41 GLU CD C 22.160 5.068 0.948 . . . 1.0 . . . . . . . . . . . . A . 26 GLU CD . . . . . . . . . rr_1nct 1 . 1 . 389 . 1 1 41 GLU CG C 22.258 3.628 1.455 . . . 1.0 . . . . . . . . . . . . A . 26 GLU CG . . . . . . . . . rr_1nct 1 . 1 . 390 . 1 1 41 GLU H H 18.683 2.068 2.968 . . . 1.0 . . . . . . . . . . . . A . 26 GLU H . . . . . . . . . rr_1nct 1 . 1 . 391 . 1 1 41 GLU HA H 19.706 3.647 0.636 . . . 1.0 . . . . . . . . . . . . A . 26 GLU HA . . . . . . . . . rr_1nct 1 . 1 . 392 . 1 1 41 GLU HB2 H 20.723 4.174 2.853 . . . 1.0 . . . . . . . . . . . . A . 26 GLU HB2 . . . . . . . . . rr_1nct 1 . 1 . 393 . 1 1 41 GLU HB3 H 21.250 2.494 2.972 . . . 1.0 . . . . . . . . . . . . A . 26 GLU HB3 . . . . . . . . . rr_1nct 1 . 1 . 394 . 1 1 41 GLU HG2 H 23.143 3.518 2.064 . . . 1.0 . . . . . . . . . . . . A . 26 GLU HG2 . . . . . . . . . rr_1nct 1 . 1 . 395 . 1 1 41 GLU HG3 H 22.313 2.955 0.613 . . . 1.0 . . . . . . . . . . . . A . 26 GLU HG3 . . . . . . . . . rr_1nct 1 . 1 . 396 . 1 1 41 GLU N N 18.693 2.749 2.264 . . . 1.0 . . . . . . . . . . . . A . 26 GLU N . . . . . . . . . rr_1nct 1 . 1 . 397 . 1 1 41 GLU O O 20.172 0.508 1.353 . . . 1.0 . . . . . . . . . . . . A . 26 GLU O . . . . . . . . . rr_1nct 1 . 1 . 398 . 1 1 41 GLU OE1 O 21.172 5.383 0.305 . . . 1.0 . . . . . . . . . . . . A . 26 GLU OE1 . . . . . . . . . rr_1nct 1 . 1 . 399 . 1 1 41 GLU OE2 O 23.074 5.831 1.212 . . . 1.0 . . . . . . . . . . . . A . 26 GLU OE2 . . . . . . . . . rr_1nct 1 . 1 . 400 . 1 1 42 PRO C C 19.114 3.266 -1.668 . . . 1.0 . . . . . . . . . . . . A . 27 PRO C . . . . . . . . . rr_1nct 1 . 1 . 401 . 1 1 42 PRO CA C 20.541 2.795 -1.400 . . . 1.0 . . . . . . . . . . . . A . 27 PRO CA . . . . . . . . . rr_1nct 1 . 1 . 402 . 1 1 42 PRO CB C 21.233 2.380 -2.694 . . . 1.0 . . . . . . . . . . . . A . 27 PRO CB . . . . . . . . . rr_1nct 1 . 1 . 403 . 1 1 42 PRO CD C 20.864 0.370 -1.404 . . . 1.0 . . . . . . . . . . . . A . 27 PRO CD . . . . . . . . . rr_1nct 1 . 1 . 404 . 1 1 42 PRO CG C 20.989 0.910 -2.806 . . . 1.0 . . . . . . . . . . . . A . 27 PRO CG . . . . . . . . . rr_1nct 1 . 1 . 405 . 1 1 42 PRO HA H 21.106 3.557 -0.898 . . . 1.0 . . . . . . . . . . . . A . 27 PRO HA . . . . . . . . . rr_1nct 1 . 1 . 406 . 1 1 42 PRO HB2 H 20.798 2.902 -3.535 . . . 1.0 . . . . . . . . . . . . A . 27 PRO HB2 . . . . . . . . . rr_1nct 1 . 1 . 407 . 1 1 42 PRO HB3 H 22.292 2.575 -2.634 . . . 1.0 . . . . . . . . . . . . A . 27 PRO HB3 . . . . . . . . . rr_1nct 1 . 1 . 408 . 1 1 42 PRO HD2 H 20.083 -0.376 -1.357 . . . 1.0 . . . . . . . . . . . . A . 27 PRO HD2 . . . . . . . . . rr_1nct 1 . 1 . 409 . 1 1 42 PRO HD3 H 21.804 -0.041 -1.071 . . . 1.0 . . . . . . . . . . . . A . 27 PRO HD3 . . . . . . . . . rr_1nct 1 . 1 . 410 . 1 1 42 PRO HG2 H 20.076 0.731 -3.357 . . . 1.0 . . . . . . . . . . . . A . 27 PRO HG2 . . . . . . . . . rr_1nct 1 . 1 . 411 . 1 1 42 PRO HG3 H 21.820 0.436 -3.305 . . . 1.0 . . . . . . . . . . . . A . 27 PRO HG3 . . . . . . . . . rr_1nct 1 . 1 . 412 . 1 1 42 PRO N N 20.509 1.542 -0.593 . . . 1.0 . . . . . . . . . . . . A . 27 PRO N . . . . . . . . . rr_1nct 1 . 1 . 413 . 1 1 42 PRO O O 18.850 4.438 -1.848 . . . 1.0 . . . . . . . . . . . . A . 27 PRO O . . . . . . . . . rr_1nct 1 . 1 . 414 . 1 1 43 VAL C C 15.891 1.687 -1.164 . . . 1.0 . . . . . . . . . . . . A . 28 VAL C . . . . . . . . . rr_1nct 1 . 1 . 415 . 1 1 43 VAL CA C 16.774 2.697 -1.917 . . . 1.0 . . . . . . . . . . . . A . 28 VAL CA . . . . . . . . . rr_1nct 1 . 1 . 416 . 1 1 43 VAL CB C 16.597 2.596 -3.436 . . . 1.0 . . . . . . . . . . . . A . 28 VAL CB . . . . . . . . . rr_1nct 1 . 1 . 417 . 1 1 43 VAL CG1 C 15.114 2.480 -3.789 . . . 1.0 . . . . . . . . . . . . A . 28 VAL CG1 . . . . . . . . . rr_1nct 1 . 1 . 418 . 1 1 43 VAL CG2 C 17.170 3.855 -4.090 . . . 1.0 . . . . . . . . . . . . A . 28 VAL CG2 . . . . . . . . . rr_1nct 1 . 1 . 419 . 1 1 43 VAL H H 18.442 1.419 -1.527 . . . 1.0 . . . . . . . . . . . . A . 28 VAL H . . . . . . . . . rr_1nct 1 . 1 . 420 . 1 1 43 VAL HA H 16.573 3.703 -1.583 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HA . . . . . . . . . rr_1nct 1 . 1 . 421 . 1 1 43 VAL HB H 17.123 1.728 -3.804 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HB . . . . . . . . . rr_1nct 1 . 1 . 422 . 1 1 43 VAL HG11 H 14.695 1.620 -3.288 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HG11 . . . . . . . . . rr_1nct 1 . 1 . 423 . 1 1 43 VAL HG12 H 14.599 3.372 -3.468 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HG12 . . . . . . . . . rr_1nct 1 . 1 . 424 . 1 1 43 VAL HG13 H 15.008 2.364 -4.857 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HG13 . . . . . . . . . rr_1nct 1 . 1 . 425 . 1 1 43 VAL HG21 H 17.217 4.650 -3.359 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HG21 . . . . . . . . . rr_1nct 1 . 1 . 426 . 1 1 43 VAL HG22 H 18.162 3.649 -4.462 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HG22 . . . . . . . . . rr_1nct 1 . 1 . 427 . 1 1 43 VAL HG23 H 16.533 4.158 -4.909 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HG23 . . . . . . . . . rr_1nct 1 . 1 . 428 . 1 1 43 VAL N N 18.196 2.348 -1.682 . . . 1.0 . . . . . . . . . . . . A . 28 VAL N . . . . . . . . . rr_1nct 1 . 1 . 429 . 1 1 43 VAL O O 16.208 0.516 -1.107 . . . 1.0 . . . . . . . . . . . . A . 28 VAL O . . . . . . . . . rr_1nct 1 . 1 . 430 . 1 1 44 PRO C C 13.016 0.486 -0.771 . . . 1.0 . . . . . . . . . . . . A . 29 PRO C . . . . . . . . . rr_1nct 1 . 1 . 431 . 1 1 44 PRO CA C 13.911 1.294 0.176 . . . 1.0 . . . . . . . . . . . . A . 29 PRO CA . . . . . . . . . rr_1nct 1 . 1 . 432 . 1 1 44 PRO CB C 13.077 2.274 0.996 . . . 1.0 . . . . . . . . . . . . A . 29 PRO CB . . . . . . . . . rr_1nct 1 . 1 . 433 . 1 1 44 PRO CD C 14.363 3.572 -0.598 . . . 1.0 . . . . . . . . . . . . A . 29 PRO CD . . . . . . . . . rr_1nct 1 . 1 . 434 . 1 1 44 PRO CG C 13.101 3.556 0.224 . . . 1.0 . . . . . . . . . . . . A . 29 PRO CG . . . . . . . . . rr_1nct 1 . 1 . 435 . 1 1 44 PRO HA H 14.470 0.641 0.829 . . . 1.0 . . . . . . . . . . . . A . 29 PRO HA . . . . . . . . . rr_1nct 1 . 1 . 436 . 1 1 44 PRO HB2 H 12.064 1.911 1.096 . . . 1.0 . . . . . . . . . . . . A . 29 PRO HB2 . . . . . . . . . rr_1nct 1 . 1 . 437 . 1 1 44 PRO HB3 H 13.522 2.425 1.966 . . . 1.0 . . . . . . . . . . . . A . 29 PRO HB3 . . . . . . . . . rr_1nct 1 . 1 . 438 . 1 1 44 PRO HD2 H 14.151 3.898 -1.608 . . . 1.0 . . . . . . . . . . . . A . 29 PRO HD2 . . . . . . . . . rr_1nct 1 . 1 . 439 . 1 1 44 PRO HD3 H 15.105 4.208 -0.142 . . . 1.0 . . . . . . . . . . . . A . 29 PRO HD3 . . . . . . . . . rr_1nct 1 . 1 . 440 . 1 1 44 PRO HG2 H 12.237 3.608 -0.423 . . . 1.0 . . . . . . . . . . . . A . 29 PRO HG2 . . . . . . . . . rr_1nct 1 . 1 . 441 . 1 1 44 PRO HG3 H 13.102 4.393 0.904 . . . 1.0 . . . . . . . . . . . . A . 29 PRO HG3 . . . . . . . . . rr_1nct 1 . 1 . 442 . 1 1 44 PRO N N 14.821 2.176 -0.591 . . . 1.0 . . . . . . . . . . . . A . 29 PRO N . . . . . . . . . rr_1nct 1 . 1 . 443 . 1 1 44 PRO O O 13.173 0.523 -1.975 . . . 1.0 . . . . . . . . . . . . A . 29 PRO O . . . . . . . . . rr_1nct 1 . 1 . 444 . 1 1 45 THR C C 9.778 -1.124 -0.440 . . . 1.0 . . . . . . . . . . . . A . 30 THR C . . . . . . . . . rr_1nct 1 . 1 . 445 . 1 1 45 THR CA C 11.163 -1.049 -1.089 . . . 1.0 . . . . . . . . . . . . A . 30 THR CA . . . . . . . . . rr_1nct 1 . 1 . 446 . 1 1 45 THR CB C 11.803 -2.436 -1.156 . . . 1.0 . . . . . . . . . . . . A . 30 THR CB . . . . . . . . . rr_1nct 1 . 1 . 447 . 1 1 45 THR CG2 C 11.317 -3.164 -2.410 . . . 1.0 . . . . . . . . . . . . A . 30 THR CG2 . . . . . . . . . rr_1nct 1 . 1 . 448 . 1 1 45 THR H H 11.965 -0.252 0.743 . . . 1.0 . . . . . . . . . . . . A . 30 THR H . . . . . . . . . rr_1nct 1 . 1 . 449 . 1 1 45 THR HA H 11.096 -0.622 -2.077 . . . 1.0 . . . . . . . . . . . . A . 30 THR HA . . . . . . . . . rr_1nct 1 . 1 . 450 . 1 1 45 THR HB H 11.523 -3.005 -0.284 . . . 1.0 . . . . . . . . . . . . A . 30 THR HB . . . . . . . . . rr_1nct 1 . 1 . 451 . 1 1 45 THR HG1 H 13.431 -1.658 -1.882 . . . 1.0 . . . . . . . . . . . . A . 30 THR HG1 . . . . . . . . . rr_1nct 1 . 1 . 452 . 1 1 45 THR HG21 H 10.736 -2.485 -3.017 . . . 1.0 . . . . . . . . . . . . A . 30 THR HG21 . . . . . . . . . rr_1nct 1 . 1 . 453 . 1 1 45 THR HG22 H 12.168 -3.514 -2.976 . . . 1.0 . . . . . . . . . . . . A . 30 THR HG22 . . . . . . . . . rr_1nct 1 . 1 . 454 . 1 1 45 THR HG23 H 10.704 -4.005 -2.123 . . . 1.0 . . . . . . . . . . . . A . 30 THR HG23 . . . . . . . . . rr_1nct 1 . 1 . 455 . 1 1 45 THR N N 12.075 -0.240 -0.231 . . . 1.0 . . . . . . . . . . . . A . 30 THR N . . . . . . . . . rr_1nct 1 . 1 . 456 . 1 1 45 THR O O 9.650 -1.117 0.768 . . . 1.0 . . . . . . . . . . . . A . 30 THR O . . . . . . . . . rr_1nct 1 . 1 . 457 . 1 1 45 THR OG1 O 13.217 -2.301 -1.202 . . . 1.0 . . . . . . . . . . . . A . 30 THR OG1 . . . . . . . . . rr_1nct 1 . 1 . 458 . 1 1 46 VAL C C 6.575 -2.414 -1.250 . . . 1.0 . . . . . . . . . . . . A . 31 VAL C . . . . . . . . . rr_1nct 1 . 1 . 459 . 1 1 46 VAL CA C 7.371 -1.251 -0.642 . . . 1.0 . . . . . . . . . . . . A . 31 VAL CA . . . . . . . . . rr_1nct 1 . 1 . 460 . 1 1 46 VAL CB C 6.734 0.100 -0.995 . . . 1.0 . . . . . . . . . . . . A . 31 VAL CB . . . . . . . . . rr_1nct 1 . 1 . 461 . 1 1 46 VAL CG1 C 6.415 0.151 -2.481 . . . 1.0 . . . . . . . . . . . . A . 31 VAL CG1 . . . . . . . . . rr_1nct 1 . 1 . 462 . 1 1 46 VAL CG2 C 5.436 0.295 -0.213 . . . 1.0 . . . . . . . . . . . . A . 31 VAL CG2 . . . . . . . . . rr_1nct 1 . 1 . 463 . 1 1 46 VAL H H 8.860 -1.186 -2.200 . . . 1.0 . . . . . . . . . . . . A . 31 VAL H . . . . . . . . . rr_1nct 1 . 1 . 464 . 1 1 46 VAL HA H 7.426 -1.356 0.425 . . . 1.0 . . . . . . . . . . . . A . 31 VAL HA . . . . . . . . . rr_1nct 1 . 1 . 465 . 1 1 46 VAL HB H 7.424 0.895 -0.751 . . . 1.0 . . . . . . . . . . . . A . 31 VAL HB . . . . . . . . . rr_1nct 1 . 1 . 466 . 1 1 46 VAL HG11 H 7.025 -0.566 -3.004 . . . 1.0 . . . . . . . . . . . . A . 31 VAL HG11 . . . . . . . . . rr_1nct 1 . 1 . 467 . 1 1 46 VAL HG12 H 5.370 -0.084 -2.628 . . . 1.0 . . . . . . . . . . . . A . 31 VAL HG12 . . . . . . . . . rr_1nct 1 . 1 . 468 . 1 1 46 VAL HG13 H 6.619 1.135 -2.848 . . . 1.0 . . . . . . . . . . . . A . 31 VAL HG13 . . . . . . . . . rr_1nct 1 . 1 . 469 . 1 1 46 VAL HG21 H 5.208 -0.606 0.331 . . . 1.0 . . . . . . . . . . . . A . 31 VAL HG21 . . . . . . . . . rr_1nct 1 . 1 . 470 . 1 1 46 VAL HG22 H 5.552 1.118 0.477 . . . 1.0 . . . . . . . . . . . . A . 31 VAL HG22 . . . . . . . . . rr_1nct 1 . 1 . 471 . 1 1 46 VAL HG23 H 4.631 0.515 -0.899 . . . 1.0 . . . . . . . . . . . . A . 31 VAL HG23 . . . . . . . . . rr_1nct 1 . 1 . 472 . 1 1 46 VAL N N 8.740 -1.187 -1.228 . . . 1.0 . . . . . . . . . . . . A . 31 VAL N . . . . . . . . . rr_1nct 1 . 1 . 473 . 1 1 46 VAL O O 6.525 -2.586 -2.451 . . . 1.0 . . . . . . . . . . . . A . 31 VAL O . . . . . . . . . rr_1nct 1 . 1 . 474 . 1 1 47 THR C C 3.748 -4.266 -0.306 . . . 1.0 . . . . . . . . . . . . A . 32 THR C . . . . . . . . . rr_1nct 1 . 1 . 475 . 1 1 47 THR CA C 5.115 -4.312 -0.966 . . . 1.0 . . . . . . . . . . . . A . 32 THR CA . . . . . . . . . rr_1nct 1 . 1 . 476 . 1 1 47 THR CB C 5.847 -5.596 -0.592 . . . 1.0 . . . . . . . . . . . . A . 32 THR CB . . . . . . . . . rr_1nct 1 . 1 . 477 . 1 1 47 THR CG2 C 5.235 -6.769 -1.369 . . . 1.0 . . . . . . . . . . . . A . 32 THR CG2 . . . . . . . . . rr_1nct 1 . 1 . 478 . 1 1 47 THR H H 5.961 -3.024 0.535 . . . 1.0 . . . . . . . . . . . . A . 32 THR H . . . . . . . . . rr_1nct 1 . 1 . 479 . 1 1 47 THR HA H 5.021 -4.234 -2.039 . . . 1.0 . . . . . . . . . . . . A . 32 THR HA . . . . . . . . . rr_1nct 1 . 1 . 480 . 1 1 47 THR HB H 5.738 -5.772 0.464 . . . 1.0 . . . . . . . . . . . . A . 32 THR HB . . . . . . . . . rr_1nct 1 . 1 . 481 . 1 1 47 THR HG1 H 7.722 -5.442 -0.098 . . . 1.0 . . . . . . . . . . . . A . 32 THR HG1 . . . . . . . . . rr_1nct 1 . 1 . 482 . 1 1 47 THR HG21 H 4.237 -6.506 -1.691 . . . 1.0 . . . . . . . . . . . . A . 32 THR HG21 . . . . . . . . . rr_1nct 1 . 1 . 483 . 1 1 47 THR HG22 H 5.845 -6.988 -2.234 . . . 1.0 . . . . . . . . . . . . A . 32 THR HG22 . . . . . . . . . rr_1nct 1 . 1 . 484 . 1 1 47 THR HG23 H 5.188 -7.640 -0.732 . . . 1.0 . . . . . . . . . . . . A . 32 THR HG23 . . . . . . . . . rr_1nct 1 . 1 . 485 . 1 1 47 THR N N 5.931 -3.192 -0.432 . . . 1.0 . . . . . . . . . . . . A . 32 THR N . . . . . . . . . rr_1nct 1 . 1 . 486 . 1 1 47 THR O O 3.587 -4.619 0.835 . . . 1.0 . . . . . . . . . . . . A . 32 THR O . . . . . . . . . rr_1nct 1 . 1 . 487 . 1 1 47 THR OG1 O 7.225 -5.470 -0.918 . . . 1.0 . . . . . . . . . . . . A . 32 THR OG1 . . . . . . . . . rr_1nct 1 . 1 . 488 . 1 1 48 TRP C C 0.765 -5.107 -0.362 . . . 1.0 . . . . . . . . . . . . A . 33 TRP C . . . . . . . . . rr_1nct 1 . 1 . 489 . 1 1 48 TRP CA C 1.409 -3.720 -0.420 . . . 1.0 . . . . . . . . . . . . A . 33 TRP CA . . . . . . . . . rr_1nct 1 . 1 . 490 . 1 1 48 TRP CB C 0.637 -2.802 -1.363 . . . 1.0 . . . . . . . . . . . . A . 33 TRP CB . . . . . . . . . rr_1nct 1 . 1 . 491 . 1 1 48 TRP CD1 C 2.358 -1.230 -2.305 . . . 1.0 . . . . . . . . . . . . A . 33 TRP CD1 . . . . . . . . . rr_1nct 1 . 1 . 492 . 1 1 48 TRP CD2 C 1.098 -0.273 -0.727 . . . 1.0 . . . . . . . . . . . . A . 33 TRP CD2 . . . . . . . . . rr_1nct 1 . 1 . 493 . 1 1 48 TRP CE2 C 2.018 0.712 -1.152 . . . 1.0 . . . . . . . . . . . . A . 33 TRP CE2 . . . . . . . . . rr_1nct 1 . 1 . 494 . 1 1 48 TRP CE3 C 0.176 0.060 0.265 . . . 1.0 . . . . . . . . . . . . A . 33 TRP CE3 . . . . . . . . . rr_1nct 1 . 1 . 495 . 1 1 48 TRP CG C 1.341 -1.491 -1.467 . . . 1.0 . . . . . . . . . . . . A . 33 TRP CG . . . . . . . . . rr_1nct 1 . 1 . 496 . 1 1 48 TRP CH2 C 1.088 2.314 0.393 . . . 1.0 . . . . . . . . . . . . A . 33 TRP CH2 . . . . . . . . . rr_1nct 1 . 1 . 497 . 1 1 48 TRP CZ2 C 2.018 1.994 -0.601 . . . 1.0 . . . . . . . . . . . . A . 33 TRP CZ2 . . . . . . . . . rr_1nct 1 . 1 . 498 . 1 1 48 TRP CZ3 C 0.167 1.348 0.826 . . . 1.0 . . . . . . . . . . . . A . 33 TRP CZ3 . . . . . . . . . rr_1nct 1 . 1 . 499 . 1 1 48 TRP H H 2.935 -3.527 -1.928 . . . 1.0 . . . . . . . . . . . . A . 33 TRP H . . . . . . . . . rr_1nct 1 . 1 . 500 . 1 1 48 TRP HA H 1.453 -3.277 0.560 . . . 1.0 . . . . . . . . . . . . A . 33 TRP HA . . . . . . . . . rr_1nct 1 . 1 . 501 . 1 1 48 TRP HB2 H 0.583 -3.253 -2.326 . . . 1.0 . . . . . . . . . . . . A . 33 TRP HB2 . . . . . . . . . rr_1nct 1 . 1 . 502 . 1 1 48 TRP HB3 H -0.355 -2.651 -0.987 . . . 1.0 . . . . . . . . . . . . A . 33 TRP HB3 . . . . . . . . . rr_1nct 1 . 1 . 503 . 1 1 48 TRP HD1 H 2.778 -1.932 -2.996 . . . 1.0 . . . . . . . . . . . . A . 33 TRP HD1 . . . . . . . . . rr_1nct 1 . 1 . 504 . 1 1 48 TRP HE1 H 3.508 0.514 -2.606 . . . 1.0 . . . . . . . . . . . . A . 33 TRP HE1 . . . . . . . . . rr_1nct 1 . 1 . 505 . 1 1 48 TRP HE3 H -0.529 -0.685 0.596 . . . 1.0 . . . . . . . . . . . . A . 33 TRP HE3 . . . . . . . . . rr_1nct 1 . 1 . 506 . 1 1 48 TRP HH2 H 1.079 3.303 0.826 . . . 1.0 . . . . . . . . . . . . A . 33 TRP HH2 . . . . . . . . . rr_1nct 1 . 1 . 507 . 1 1 48 TRP HZ2 H 2.731 2.732 -0.936 . . . 1.0 . . . . . . . . . . . . A . 33 TRP HZ2 . . . . . . . . . rr_1nct 1 . 1 . 508 . 1 1 48 TRP HZ3 H -0.552 1.595 1.594 . . . 1.0 . . . . . . . . . . . . A . 33 TRP HZ3 . . . . . . . . . rr_1nct 1 . 1 . 509 . 1 1 48 TRP N N 2.772 -3.814 -1.011 . . . 1.0 . . . . . . . . . . . . A . 33 TRP N . . . . . . . . . rr_1nct 1 . 1 . 510 . 1 1 48 TRP NE1 N 2.773 0.077 -2.120 . . . 1.0 . . . . . . . . . . . . A . 33 TRP NE1 . . . . . . . . . rr_1nct 1 . 1 . 511 . 1 1 48 TRP O O 0.765 -5.835 -1.331 . . . 1.0 . . . . . . . . . . . . A . 33 TRP O . . . . . . . . . rr_1nct 1 . 1 . 512 . 1 1 49 LEU C C -1.129 -6.963 2.228 . . . 1.0 . . . . . . . . . . . . A . 34 LEU C . . . . . . . . . rr_1nct 1 . 1 . 513 . 1 1 49 LEU CA C -0.440 -6.812 0.875 . . . 1.0 . . . . . . . . . . . . A . 34 LEU CA . . . . . . . . . rr_1nct 1 . 1 . 514 . 1 1 49 LEU CB C 0.675 -7.849 0.705 . . . 1.0 . . . . . . . . . . . . A . 34 LEU CB . . . . . . . . . rr_1nct 1 . 1 . 515 . 1 1 49 LEU CD1 C 1.949 -9.202 2.374 . . . 1.0 . . . . . . . . . . . . A . 34 LEU CD1 . . . . . . . . . rr_1nct 1 . 1 . 516 . 1 1 49 LEU CD2 C 2.939 -7.119 1.429 . . . 1.0 . . . . . . . . . . . . A . 34 LEU CD2 . . . . . . . . . rr_1nct 1 . 1 . 517 . 1 1 49 LEU CG C 1.646 -7.785 1.884 . . . 1.0 . . . . . . . . . . . . A . 34 LEU CG . . . . . . . . . rr_1nct 1 . 1 . 518 . 1 1 49 LEU H H 0.225 -4.870 1.533 . . . 1.0 . . . . . . . . . . . . A . 34 LEU H . . . . . . . . . rr_1nct 1 . 1 . 519 . 1 1 49 LEU HA H -1.164 -6.932 0.093 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HA . . . . . . . . . rr_1nct 1 . 1 . 520 . 1 1 49 LEU HB2 H 0.239 -8.836 0.655 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HB2 . . . . . . . . . rr_1nct 1 . 1 . 521 . 1 1 49 LEU HB3 H 1.213 -7.650 -0.209 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HB3 . . . . . . . . . rr_1nct 1 . 1 . 522 . 1 1 49 LEU HD11 H 1.988 -9.874 1.529 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HD11 . . . . . . . . . rr_1nct 1 . 1 . 523 . 1 1 49 LEU HD12 H 2.901 -9.211 2.884 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HD12 . . . . . . . . . rr_1nct 1 . 1 . 524 . 1 1 49 LEU HD13 H 1.174 -9.523 3.053 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HD13 . . . . . . . . . rr_1nct 1 . 1 . 525 . 1 1 49 LEU HD21 H 2.802 -6.703 0.441 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HD21 . . . . . . . . . rr_1nct 1 . 1 . 526 . 1 1 49 LEU HD22 H 3.194 -6.331 2.119 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HD22 . . . . . . . . . rr_1nct 1 . 1 . 527 . 1 1 49 LEU HD23 H 3.732 -7.851 1.405 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HD23 . . . . . . . . . rr_1nct 1 . 1 . 528 . 1 1 49 LEU HG H 1.209 -7.213 2.688 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HG . . . . . . . . . rr_1nct 1 . 1 . 529 . 1 1 49 LEU N N 0.215 -5.475 0.764 . . . 1.0 . . . . . . . . . . . . A . 34 LEU N . . . . . . . . . rr_1nct 1 . 1 . 530 . 1 1 49 LEU O O -0.736 -6.374 3.216 . . . 1.0 . . . . . . . . . . . . A . 34 LEU O . . . . . . . . . rr_1nct 1 . 1 . 531 . 1 1 50 ARG C C -3.887 -9.103 3.368 . . . 1.0 . . . . . . . . . . . . A . 35 ARG C . . . . . . . . . rr_1nct 1 . 1 . 532 . 1 1 50 ARG CA C -2.897 -7.949 3.537 . . . 1.0 . . . . . . . . . . . . A . 35 ARG CA . . . . . . . . . rr_1nct 1 . 1 . 533 . 1 1 50 ARG CB C -3.622 -6.627 3.763 . . . 1.0 . . . . . . . . . . . . A . 35 ARG CB . . . . . . . . . rr_1nct 1 . 1 . 534 . 1 1 50 ARG CD C -3.940 -7.284 6.164 . . . 1.0 . . . . . . . . . . . . A . 35 ARG CD . . . . . . . . . rr_1nct 1 . 1 . 535 . 1 1 50 ARG CG C -4.637 -6.771 4.899 . . . 1.0 . . . . . . . . . . . . A . 35 ARG CG . . . . . . . . . rr_1nct 1 . 1 . 536 . 1 1 50 ARG CZ C -4.784 -8.285 8.201 . . . 1.0 . . . . . . . . . . . . A . 35 ARG CZ . . . . . . . . . rr_1nct 1 . 1 . 537 . 1 1 50 ARG H H -2.463 -8.203 1.459 . . . 1.0 . . . . . . . . . . . . A . 35 ARG H . . . . . . . . . rr_1nct 1 . 1 . 538 . 1 1 50 ARG HA H -2.215 -8.137 4.341 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HA . . . . . . . . . rr_1nct 1 . 1 . 539 . 1 1 50 ARG HB2 H -2.901 -5.865 4.018 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HB2 . . . . . . . . . rr_1nct 1 . 1 . 540 . 1 1 50 ARG HB3 H -4.135 -6.344 2.857 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HB3 . . . . . . . . . rr_1nct 1 . 1 . 541 . 1 1 50 ARG HD2 H -3.327 -8.144 5.931 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HD2 . . . . . . . . . rr_1nct 1 . 1 . 542 . 1 1 50 ARG HD3 H -3.344 -6.504 6.609 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HD3 . . . . . . . . . rr_1nct 1 . 1 . 543 . 1 1 50 ARG HE H -5.976 -7.456 6.846 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HE . . . . . . . . . rr_1nct 1 . 1 . 544 . 1 1 50 ARG HG2 H -5.080 -5.809 5.101 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HG2 . . . . . . . . . rr_1nct 1 . 1 . 545 . 1 1 50 ARG HG3 H -5.404 -7.470 4.604 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HG3 . . . . . . . . . rr_1nct 1 . 1 . 546 . 1 1 50 ARG HH11 H -3.613 -6.824 8.907 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HH11 . . . . . . . . . rr_1nct 1 . 1 . 547 . 1 1 50 ARG HH12 H -3.803 -8.197 9.945 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HH12 . . . . . . . . . rr_1nct 1 . 1 . 548 . 1 1 50 ARG HH21 H -5.894 -9.890 7.756 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HH21 . . . . . . . . . rr_1nct 1 . 1 . 549 . 1 1 50 ARG HH22 H -5.095 -9.934 9.292 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HH22 . . . . . . . . . rr_1nct 1 . 1 . 550 . 1 1 50 ARG N N -2.162 -7.748 2.269 . . . 1.0 . . . . . . . . . . . . A . 35 ARG N . . . . . . . . . rr_1nct 1 . 1 . 551 . 1 1 50 ARG NE N -5.048 -7.667 7.082 . . . 1.0 . . . . . . . . . . . . A . 35 ARG NE . . . . . . . . . rr_1nct 1 . 1 . 552 . 1 1 50 ARG NH1 N -4.006 -7.725 9.087 . . . 1.0 . . . . . . . . . . . . A . 35 ARG NH1 . . . . . . . . . rr_1nct 1 . 1 . 553 . 1 1 50 ARG NH2 N -5.298 -9.461 8.435 . . . 1.0 . . . . . . . . . . . . A . 35 ARG NH2 . . . . . . . . . rr_1nct 1 . 1 . 554 . 1 1 50 ARG O O -4.061 -9.929 4.242 . . . 1.0 . . . . . . . . . . . . A . 35 ARG O . . . . . . . . . rr_1nct 1 . 1 . 555 . 1 1 51 LYS C C -6.065 -10.100 0.546 . . . 1.0 . . . . . . . . . . . . A . 36 LYS C . . . . . . . . . rr_1nct 1 . 1 . 556 . 1 1 51 LYS CA C -5.516 -10.242 1.968 . . . 1.0 . . . . . . . . . . . . A . 36 LYS CA . . . . . . . . . rr_1nct 1 . 1 . 557 . 1 1 51 LYS CB C -6.629 -10.032 2.994 . . . 1.0 . . . . . . . . . . . . A . 36 LYS CB . . . . . . . . . rr_1nct 1 . 1 . 558 . 1 1 51 LYS CD C -8.151 -11.334 4.488 . . . 1.0 . . . . . . . . . . . . A . 36 LYS CD . . . . . . . . . rr_1nct 1 . 1 . 559 . 1 1 51 LYS CE C -8.616 -12.791 4.541 . . . 1.0 . . . . . . . . . . . . A . 36 LYS CE . . . . . . . . . rr_1nct 1 . 1 . 560 . 1 1 51 LYS CG C -6.745 -11.269 3.886 . . . 1.0 . . . . . . . . . . . . A . 36 LYS CG . . . . . . . . . rr_1nct 1 . 1 . 561 . 1 1 51 LYS H H -4.364 -8.473 1.556 . . . 1.0 . . . . . . . . . . . . A . 36 LYS H . . . . . . . . . rr_1nct 1 . 1 . 562 . 1 1 51 LYS HA H -5.061 -11.210 2.106 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HA . . . . . . . . . rr_1nct 1 . 1 . 563 . 1 1 51 LYS HB2 H -6.397 -9.169 3.600 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HB2 . . . . . . . . . rr_1nct 1 . 1 . 564 . 1 1 51 LYS HB3 H -7.565 -9.870 2.481 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HB3 . . . . . . . . . rr_1nct 1 . 1 . 565 . 1 1 51 LYS HD2 H -8.133 -10.925 5.488 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HD2 . . . . . . . . . rr_1nct 1 . 1 . 566 . 1 1 51 LYS HD3 H -8.832 -10.763 3.876 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HD3 . . . . . . . . . rr_1nct 1 . 1 . 567 . 1 1 51 LYS HE2 H -8.308 -13.316 3.647 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HE2 . . . . . . . . . rr_1nct 1 . 1 . 568 . 1 1 51 LYS HE3 H -8.225 -13.280 5.419 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HE3 . . . . . . . . . rr_1nct 1 . 1 . 569 . 1 1 51 LYS HG2 H -6.563 -12.156 3.296 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HG2 . . . . . . . . . rr_1nct 1 . 1 . 570 . 1 1 51 LYS HG3 H -6.017 -11.209 4.681 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HG3 . . . . . . . . . rr_1nct 1 . 1 . 571 . 1 1 51 LYS HZ1 H -10.453 -12.047 3.904 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HZ1 . . . . . . . . . rr_1nct 1 . 1 . 572 . 1 1 51 LYS HZ2 H -10.505 -13.660 4.435 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HZ2 . . . . . . . . . rr_1nct 1 . 1 . 573 . 1 1 51 LYS HZ3 H -10.386 -12.400 5.564 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HZ3 . . . . . . . . . rr_1nct 1 . 1 . 574 . 1 1 51 LYS N N -4.531 -9.156 2.236 . . . 1.0 . . . . . . . . . . . . A . 36 LYS N . . . . . . . . . rr_1nct 1 . 1 . 575 . 1 1 51 LYS NZ N -10.102 -12.719 4.617 . . . 1.0 . . . . . . . . . . . . A . 36 LYS NZ . . . . . . . . . rr_1nct 1 . 1 . 576 . 1 1 51 LYS O O -7.217 -10.386 0.283 . . . 1.0 . . . . . . . . . . . . A . 36 LYS O . . . . . . . . . rr_1nct 1 . 1 . 577 . 1 1 52 GLY C C -4.649 -9.941 -2.758 . . . 1.0 . . . . . . . . . . . . A . 37 GLY C . . . . . . . . . rr_1nct 1 . 1 . 578 . 1 1 52 GLY CA C -5.728 -9.481 -1.770 . . . 1.0 . . . . . . . . . . . . A . 37 GLY CA . . . . . . . . . rr_1nct 1 . 1 . 579 . 1 1 52 GLY H H -4.333 -9.422 -0.140 . . . 1.0 . . . . . . . . . . . . A . 37 GLY H . . . . . . . . . rr_1nct 1 . 1 . 580 . 1 1 52 GLY HA2 H -6.618 -10.069 -1.911 . . . 1.0 . . . . . . . . . . . . A . 37 GLY HA2 . . . . . . . . . rr_1nct 1 . 1 . 581 . 1 1 52 GLY HA3 H -5.952 -8.439 -1.947 . . . 1.0 . . . . . . . . . . . . A . 37 GLY HA3 . . . . . . . . . rr_1nct 1 . 1 . 582 . 1 1 52 GLY N N -5.251 -9.652 -0.372 . . . 1.0 . . . . . . . . . . . . A . 37 GLY N . . . . . . . . . rr_1nct 1 . 1 . 583 . 1 1 52 GLY O O -4.535 -9.419 -3.850 . . . 1.0 . . . . . . . . . . . . A . 37 GLY O . . . . . . . . . rr_1nct 1 . 1 . 584 . 1 1 53 GLN C C -1.936 -10.234 -3.799 . . . 1.0 . . . . . . . . . . . . A . 38 GLN C . . . . . . . . . rr_1nct 1 . 1 . 585 . 1 1 53 GLN CA C -2.796 -11.404 -3.319 . . . 1.0 . . . . . . . . . . . . A . 38 GLN CA . . . . . . . . . rr_1nct 1 . 1 . 586 . 1 1 53 GLN CB C -3.552 -12.028 -4.493 . . . 1.0 . . . . . . . . . . . . A . 38 GLN CB . . . . . . . . . rr_1nct 1 . 1 . 587 . 1 1 53 GLN CD C -2.492 -11.556 -6.716 . . . 1.0 . . . . . . . . . . . . A . 38 GLN CD . . . . . . . . . rr_1nct 1 . 1 . 588 . 1 1 53 GLN CG C -2.552 -12.533 -5.537 . . . 1.0 . . . . . . . . . . . . A . 38 GLN CG . . . . . . . . . rr_1nct 1 . 1 . 589 . 1 1 53 GLN H H -3.965 -11.326 -1.507 . . . 1.0 . . . . . . . . . . . . A . 38 GLN H . . . . . . . . . rr_1nct 1 . 1 . 590 . 1 1 53 GLN HA H -2.185 -12.150 -2.835 . . . 1.0 . . . . . . . . . . . . A . 38 GLN HA . . . . . . . . . rr_1nct 1 . 1 . 591 . 1 1 53 GLN HB2 H -4.150 -12.855 -4.137 . . . 1.0 . . . . . . . . . . . . A . 38 GLN HB2 . . . . . . . . . rr_1nct 1 . 1 . 592 . 1 1 53 GLN HB3 H -4.196 -11.286 -4.941 . . . 1.0 . . . . . . . . . . . . A . 38 GLN HB3 . . . . . . . . . rr_1nct 1 . 1 . 593 . 1 1 53 GLN HE21 H -0.980 -12.495 -7.595 . . . 1.0 . . . . . . . . . . . . A . 38 GLN HE21 . . . . . . . . . rr_1nct 1 . 1 . 594 . 1 1 53 GLN HE22 H -1.552 -11.120 -8.410 . . . 1.0 . . . . . . . . . . . . A . 38 GLN HE22 . . . . . . . . . rr_1nct 1 . 1 . 595 . 1 1 53 GLN HG2 H -1.574 -12.614 -5.087 . . . 1.0 . . . . . . . . . . . . A . 38 GLN HG2 . . . . . . . . . rr_1nct 1 . 1 . 596 . 1 1 53 GLN HG3 H -2.865 -13.503 -5.893 . . . 1.0 . . . . . . . . . . . . A . 38 GLN HG3 . . . . . . . . . rr_1nct 1 . 1 . 597 . 1 1 53 GLN N N -3.860 -10.916 -2.390 . . . 1.0 . . . . . . . . . . . . A . 38 GLN N . . . . . . . . . rr_1nct 1 . 1 . 598 . 1 1 53 GLN NE2 N -1.600 -11.739 -7.651 . . . 1.0 . . . . . . . . . . . . A . 38 GLN NE2 . . . . . . . . . rr_1nct 1 . 1 . 599 . 1 1 53 GLN O O -2.182 -9.669 -4.844 . . . 1.0 . . . . . . . . . . . . A . 38 GLN O . . . . . . . . . rr_1nct 1 . 1 . 600 . 1 1 53 GLN OE1 O -3.262 -10.618 -6.788 . . . 1.0 . . . . . . . . . . . . A . 38 GLN OE1 . . . . . . . . . rr_1nct 1 . 1 . 601 . 1 1 54 VAL C C -0.823 -7.577 -4.049 . . . 1.0 . . . . . . . . . . . . A . 39 VAL C . . . . . . . . . rr_1nct 1 . 1 . 602 . 1 1 54 VAL CA C -0.031 -8.726 -3.400 . . . 1.0 . . . . . . . . . . . . A . 39 VAL CA . . . . . . . . . rr_1nct 1 . 1 . 603 . 1 1 54 VAL CB C 1.036 -9.308 -4.340 . . . 1.0 . . . . . . . . . . . . A . 39 VAL CB . . . . . . . . . rr_1nct 1 . 1 . 604 . 1 1 54 VAL CG1 C 1.881 -10.317 -3.561 . . . 1.0 . . . . . . . . . . . . A . 39 VAL CG1 . . . . . . . . . rr_1nct 1 . 1 . 605 . 1 1 54 VAL CG2 C 0.390 -10.022 -5.535 . . . 1.0 . . . . . . . . . . . . A . 39 VAL CG2 . . . . . . . . . rr_1nct 1 . 1 . 606 . 1 1 54 VAL H H -0.774 -10.353 -2.193 . . . 1.0 . . . . . . . . . . . . A . 39 VAL H . . . . . . . . . rr_1nct 1 . 1 . 607 . 1 1 54 VAL HA H 0.452 -8.358 -2.508 . . . 1.0 . . . . . . . . . . . . A . 39 VAL HA . . . . . . . . . rr_1nct 1 . 1 . 608 . 1 1 54 VAL HB H 1.677 -8.508 -4.691 . . . 1.0 . . . . . . . . . . . . A . 39 VAL HB . . . . . . . . . rr_1nct 1 . 1 . 609 . 1 1 54 VAL HG11 H 2.221 -9.867 -2.640 . . . 1.0 . . . . . . . . . . . . A . 39 VAL HG11 . . . . . . . . . rr_1nct 1 . 1 . 610 . 1 1 54 VAL HG12 H 1.284 -11.188 -3.337 . . . 1.0 . . . . . . . . . . . . A . 39 VAL HG12 . . . . . . . . . rr_1nct 1 . 1 . 611 . 1 1 54 VAL HG13 H 2.734 -10.608 -4.156 . . . 1.0 . . . . . . . . . . . . A . 39 VAL HG13 . . . . . . . . . rr_1nct 1 . 1 . 612 . 1 1 54 VAL HG21 H -0.346 -9.382 -5.992 . . . 1.0 . . . . . . . . . . . . A . 39 VAL HG21 . . . . . . . . . rr_1nct 1 . 1 . 613 . 1 1 54 VAL HG22 H 1.152 -10.265 -6.260 . . . 1.0 . . . . . . . . . . . . A . 39 VAL HG22 . . . . . . . . . rr_1nct 1 . 1 . 614 . 1 1 54 VAL HG23 H -0.084 -10.931 -5.197 . . . 1.0 . . . . . . . . . . . . A . 39 VAL HG23 . . . . . . . . . rr_1nct 1 . 1 . 615 . 1 1 54 VAL N N -0.933 -9.870 -3.031 . . . 1.0 . . . . . . . . . . . . A . 39 VAL N . . . . . . . . . rr_1nct 1 . 1 . 616 . 1 1 54 VAL O O -1.109 -7.572 -5.228 . . . 1.0 . . . . . . . . . . . . A . 39 VAL O . . . . . . . . . rr_1nct 1 . 1 . 617 . 1 1 55 LEU C C -1.426 -4.954 -5.096 . . . 1.0 . . . . . . . . . . . . A . 40 LEU C . . . . . . . . . rr_1nct 1 . 1 . 618 . 1 1 55 LEU CA C -1.957 -5.424 -3.744 . . . 1.0 . . . . . . . . . . . . A . 40 LEU CA . . . . . . . . . rr_1nct 1 . 1 . 619 . 1 1 55 LEU CB C -1.725 -4.346 -2.682 . . . 1.0 . . . . . . . . . . . . A . 40 LEU CB . . . . . . . . . rr_1nct 1 . 1 . 620 . 1 1 55 LEU CD1 C -2.929 -5.534 -0.835 . . . 1.0 . . . . . . . . . . . . A . 40 LEU CD1 . . . . . . . . . rr_1nct 1 . 1 . 621 . 1 1 55 LEU CD2 C -2.749 -3.067 -0.805 . . . 1.0 . . . . . . . . . . . . A . 40 LEU CD2 . . . . . . . . . rr_1nct 1 . 1 . 622 . 1 1 55 LEU CG C -2.907 -4.285 -1.710 . . . 1.0 . . . . . . . . . . . . A . 40 LEU CG . . . . . . . . . rr_1nct 1 . 1 . 623 . 1 1 55 LEU H H -0.917 -6.652 -2.325 . . . 1.0 . . . . . . . . . . . . A . 40 LEU H . . . . . . . . . rr_1nct 1 . 1 . 624 . 1 1 55 LEU HA H -3.005 -5.662 -3.807 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HA . . . . . . . . . rr_1nct 1 . 1 . 625 . 1 1 55 LEU HB2 H -0.826 -4.577 -2.132 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HB2 . . . . . . . . . rr_1nct 1 . 1 . 626 . 1 1 55 LEU HB3 H -1.612 -3.387 -3.164 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HB3 . . . . . . . . . rr_1nct 1 . 1 . 627 . 1 1 55 LEU HD11 H -2.544 -6.371 -1.389 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD11 . . . . . . . . . rr_1nct 1 . 1 . 628 . 1 1 55 LEU HD12 H -2.319 -5.367 0.041 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD12 . . . . . . . . . rr_1nct 1 . 1 . 629 . 1 1 55 LEU HD13 H -3.942 -5.739 -0.531 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD13 . . . . . . . . . rr_1nct 1 . 1 . 630 . 1 1 55 LEU HD21 H -2.355 -2.242 -1.377 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD21 . . . . . . . . . rr_1nct 1 . 1 . 631 . 1 1 55 LEU HD22 H -3.710 -2.799 -0.393 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD22 . . . . . . . . . rr_1nct 1 . 1 . 632 . 1 1 55 LEU HD23 H -2.067 -3.307 -0.001 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD23 . . . . . . . . . rr_1nct 1 . 1 . 633 . 1 1 55 LEU HG H -3.831 -4.210 -2.264 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HG . . . . . . . . . rr_1nct 1 . 1 . 634 . 1 1 55 LEU N N -1.174 -6.605 -3.255 . . . 1.0 . . . . . . . . . . . . A . 40 LEU N . . . . . . . . . rr_1nct 1 . 1 . 635 . 1 1 55 LEU O O -2.158 -4.445 -5.919 . . . 1.0 . . . . . . . . . . . . A . 40 LEU O . . . . . . . . . rr_1nct 1 . 1 . 636 . 1 1 56 SER C C -0.404 -4.858 -7.799 . . . 1.0 . . . . . . . . . . . . A . 41 SER C . . . . . . . . . rr_1nct 1 . 1 . 637 . 1 1 56 SER CA C 0.519 -4.718 -6.583 . . . 1.0 . . . . . . . . . . . . A . 41 SER CA . . . . . . . . . rr_1nct 1 . 1 . 638 . 1 1 56 SER CB C 1.698 -5.671 -6.721 . . . 1.0 . . . . . . . . . . . . A . 41 SER CB . . . . . . . . . rr_1nct 1 . 1 . 639 . 1 1 56 SER H H 0.388 -5.541 -4.594 . . . 1.0 . . . . . . . . . . . . A . 41 SER H . . . . . . . . . rr_1nct 1 . 1 . 640 . 1 1 56 SER HA H 0.881 -3.709 -6.506 . . . 1.0 . . . . . . . . . . . . A . 41 SER HA . . . . . . . . . rr_1nct 1 . 1 . 641 . 1 1 56 SER HB2 H 2.160 -5.536 -7.684 . . . 1.0 . . . . . . . . . . . . A . 41 SER HB2 . . . . . . . . . rr_1nct 1 . 1 . 642 . 1 1 56 SER HB3 H 2.419 -5.463 -5.943 . . . 1.0 . . . . . . . . . . . . A . 41 SER HB3 . . . . . . . . . rr_1nct 1 . 1 . 643 . 1 1 56 SER HG H 1.980 -7.572 -6.409 . . . 1.0 . . . . . . . . . . . . A . 41 SER HG . . . . . . . . . rr_1nct 1 . 1 . 644 . 1 1 56 SER N N -0.149 -5.131 -5.303 . . . 1.0 . . . . . . . . . . . . A . 41 SER N . . . . . . . . . rr_1nct 1 . 1 . 645 . 1 1 56 SER O O -0.440 -5.890 -8.439 . . . 1.0 . . . . . . . . . . . . A . 41 SER O . . . . . . . . . rr_1nct 1 . 1 . 646 . 1 1 56 SER OG O 1.228 -7.009 -6.609 . . . 1.0 . . . . . . . . . . . . A . 41 SER OG . . . . . . . . . rr_1nct 1 . 1 . 647 . 1 1 57 THR C C -2.495 -5.151 -9.746 . . . 1.0 . . . . . . . . . . . . A . 42 THR C . . . . . . . . . rr_1nct 1 . 1 . 648 . 1 1 57 THR CA C -2.057 -3.758 -9.285 . . . 1.0 . . . . . . . . . . . . A . 42 THR CA . . . . . . . . . rr_1nct 1 . 1 . 649 . 1 1 57 THR CB C -1.270 -3.055 -10.388 . . . 1.0 . . . . . . . . . . . . A . 42 THR CB . . . . . . . . . rr_1nct 1 . 1 . 650 . 1 1 57 THR CG2 C -0.623 -1.772 -9.850 . . . 1.0 . . . . . . . . . . . . A . 42 THR CG2 . . . . . . . . . rr_1nct 1 . 1 . 651 . 1 1 57 THR H H -1.027 -2.998 -7.570 . . . 1.0 . . . . . . . . . . . . A . 42 THR H . . . . . . . . . rr_1nct 1 . 1 . 652 . 1 1 57 THR HA H -2.922 -3.167 -9.037 . . . 1.0 . . . . . . . . . . . . A . 42 THR HA . . . . . . . . . rr_1nct 1 . 1 . 653 . 1 1 57 THR HB H -1.945 -2.800 -11.180 . . . 1.0 . . . . . . . . . . . . A . 42 THR HB . . . . . . . . . rr_1nct 1 . 1 . 654 . 1 1 57 THR HG1 H 0.134 -4.379 -10.132 . . . 1.0 . . . . . . . . . . . . A . 42 THR HG1 . . . . . . . . . rr_1nct 1 . 1 . 655 . 1 1 57 THR HG21 H -0.080 -1.990 -8.942 . . . 1.0 . . . . . . . . . . . . A . 42 THR HG21 . . . . . . . . . rr_1nct 1 . 1 . 656 . 1 1 57 THR HG22 H 0.057 -1.376 -10.588 . . . 1.0 . . . . . . . . . . . . A . 42 THR HG22 . . . . . . . . . rr_1nct 1 . 1 . 657 . 1 1 57 THR HG23 H -1.391 -1.043 -9.642 . . . 1.0 . . . . . . . . . . . . A . 42 THR HG23 . . . . . . . . . rr_1nct 1 . 1 . 658 . 1 1 57 THR N N -1.120 -3.801 -8.112 . . . 1.0 . . . . . . . . . . . . A . 42 THR N . . . . . . . . . rr_1nct 1 . 1 . 659 . 1 1 57 THR O O -2.424 -5.484 -10.912 . . . 1.0 . . . . . . . . . . . . A . 42 THR O . . . . . . . . . rr_1nct 1 . 1 . 660 . 1 1 57 THR OG1 O -0.262 -3.927 -10.881 . . . 1.0 . . . . . . . . . . . . A . 42 THR OG1 . . . . . . . . . rr_1nct 1 . 1 . 661 . 1 1 58 SER C C -4.418 -7.267 -10.340 . . . 1.0 . . . . . . . . . . . . A . 43 SER C . . . . . . . . . rr_1nct 1 . 1 . 662 . 1 1 58 SER CA C -3.386 -7.333 -9.213 . . . 1.0 . . . . . . . . . . . . A . 43 SER CA . . . . . . . . . rr_1nct 1 . 1 . 663 . 1 1 58 SER CB C -4.006 -7.907 -7.954 . . . 1.0 . . . . . . . . . . . . A . 43 SER CB . . . . . . . . . rr_1nct 1 . 1 . 664 . 1 1 58 SER H H -2.989 -5.664 -7.905 . . . 1.0 . . . . . . . . . . . . A . 43 SER H . . . . . . . . . rr_1nct 1 . 1 . 665 . 1 1 58 SER HA H -2.554 -7.930 -9.504 . . . 1.0 . . . . . . . . . . . . A . 43 SER HA . . . . . . . . . rr_1nct 1 . 1 . 666 . 1 1 58 SER HB2 H -4.995 -7.529 -7.857 . . . 1.0 . . . . . . . . . . . . A . 43 SER HB2 . . . . . . . . . rr_1nct 1 . 1 . 667 . 1 1 58 SER HB3 H -4.041 -8.984 -8.028 . . . 1.0 . . . . . . . . . . . . A . 43 SER HB3 . . . . . . . . . rr_1nct 1 . 1 . 668 . 1 1 58 SER HG H -2.307 -7.614 -7.053 . . . 1.0 . . . . . . . . . . . . A . 43 SER HG . . . . . . . . . rr_1nct 1 . 1 . 669 . 1 1 58 SER N N -2.944 -5.960 -8.837 . . . 1.0 . . . . . . . . . . . . A . 43 SER N . . . . . . . . . rr_1nct 1 . 1 . 670 . 1 1 58 SER O O -4.301 -7.940 -11.345 . . . 1.0 . . . . . . . . . . . . A . 43 SER O . . . . . . . . . rr_1nct 1 . 1 . 671 . 1 1 58 SER OG O -3.235 -7.521 -6.824 . . . 1.0 . . . . . . . . . . . . A . 43 SER OG . . . . . . . . . rr_1nct 1 . 1 . 672 . 1 1 59 ALA C C -7.609 -5.424 -10.728 . . . 1.0 . . . . . . . . . . . . A . 44 ALA C . . . . . . . . . rr_1nct 1 . 1 . 673 . 1 1 59 ALA CA C -6.484 -6.327 -11.232 . . . 1.0 . . . . . . . . . . . . A . 44 ALA CA . . . . . . . . . rr_1nct 1 . 1 . 674 . 1 1 59 ALA CB C -7.014 -7.746 -11.470 . . . 1.0 . . . . . . . . . . . . A . 44 ALA CB . . . . . . . . . rr_1nct 1 . 1 . 675 . 1 1 59 ALA H H -5.493 -5.923 -9.358 . . . 1.0 . . . . . . . . . . . . A . 44 ALA H . . . . . . . . . rr_1nct 1 . 1 . 676 . 1 1 59 ALA HA H -6.063 -5.932 -12.140 . . . 1.0 . . . . . . . . . . . . A . 44 ALA HA . . . . . . . . . rr_1nct 1 . 1 . 677 . 1 1 59 ALA HB1 H -6.583 -8.417 -10.741 . . . 1.0 . . . . . . . . . . . . A . 44 ALA HB1 . . . . . . . . . rr_1nct 1 . 1 . 678 . 1 1 59 ALA HB2 H -8.089 -7.750 -11.372 . . . 1.0 . . . . . . . . . . . . A . 44 ALA HB2 . . . . . . . . . rr_1nct 1 . 1 . 679 . 1 1 59 ALA HB3 H -6.741 -8.070 -12.463 . . . 1.0 . . . . . . . . . . . . A . 44 ALA HB3 . . . . . . . . . rr_1nct 1 . 1 . 680 . 1 1 59 ALA N N -5.429 -6.456 -10.178 . . . 1.0 . . . . . . . . . . . . A . 44 ALA N . . . . . . . . . rr_1nct 1 . 1 . 681 . 1 1 59 ALA O O -8.240 -4.709 -11.483 . . . 1.0 . . . . . . . . . . . . A . 44 ALA O . . . . . . . . . rr_1nct 1 . 1 . 682 . 1 1 60 ARG C C -8.343 -3.403 -8.163 . . . 1.0 . . . . . . . . . . . . A . 45 ARG C . . . . . . . . . rr_1nct 1 . 1 . 683 . 1 1 60 ARG CA C -8.951 -4.612 -8.878 . . . 1.0 . . . . . . . . . . . . A . 45 ARG CA . . . . . . . . . rr_1nct 1 . 1 . 684 . 1 1 60 ARG CB C -9.690 -5.508 -7.873 . . . 1.0 . . . . . . . . . . . . A . 45 ARG CB . . . . . . . . . rr_1nct 1 . 1 . 685 . 1 1 60 ARG CD C -10.826 -7.721 -7.569 . . . 1.0 . . . . . . . . . . . . A . 45 ARG CD . . . . . . . . . rr_1nct 1 . 1 . 686 . 1 1 60 ARG CG C -9.870 -6.916 -8.451 . . . 1.0 . . . . . . . . . . . . A . 45 ARG CG . . . . . . . . . rr_1nct 1 . 1 . 687 . 1 1 60 ARG CZ C -10.577 -9.824 -6.395 . . . 1.0 . . . . . . . . . . . . A . 45 ARG CZ . . . . . . . . . rr_1nct 1 . 1 . 688 . 1 1 60 ARG H H -7.343 -6.046 -8.870 . . . 1.0 . . . . . . . . . . . . A . 45 ARG H . . . . . . . . . rr_1nct 1 . 1 . 689 . 1 1 60 ARG HA H -9.627 -4.291 -9.653 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HA . . . . . . . . . rr_1nct 1 . 1 . 690 . 1 1 60 ARG HB2 H -9.119 -5.567 -6.960 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HB2 . . . . . . . . . rr_1nct 1 . 1 . 691 . 1 1 60 ARG HB3 H -10.658 -5.083 -7.661 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HB3 . . . . . . . . . rr_1nct 1 . 1 . 692 . 1 1 60 ARG HD2 H -11.031 -7.185 -6.652 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HD2 . . . . . . . . . rr_1nct 1 . 1 . 693 . 1 1 60 ARG HD3 H -11.742 -7.929 -8.098 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HD3 . . . . . . . . . rr_1nct 1 . 1 . 694 . 1 1 60 ARG HE H -9.275 -9.203 -7.760 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HE . . . . . . . . . rr_1nct 1 . 1 . 695 . 1 1 60 ARG HG2 H -10.273 -6.843 -9.450 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HG2 . . . . . . . . . rr_1nct 1 . 1 . 696 . 1 1 60 ARG HG3 H -8.911 -7.412 -8.486 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HG3 . . . . . . . . . rr_1nct 1 . 1 . 697 . 1 1 60 ARG HH11 H -9.929 -8.762 -4.828 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HH11 . . . . . . . . . rr_1nct 1 . 1 . 698 . 1 1 60 ARG HH12 H -10.781 -10.219 -4.445 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HH12 . . . . . . . . . rr_1nct 1 . 1 . 699 . 1 1 60 ARG HH21 H -11.343 -11.081 -7.752 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HH21 . . . . . . . . . rr_1nct 1 . 1 . 700 . 1 1 60 ARG HH22 H -11.579 -11.529 -6.095 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HH22 . . . . . . . . . rr_1nct 1 . 1 . 701 . 1 1 60 ARG N N -7.864 -5.458 -9.453 . . . 1.0 . . . . . . . . . . . . A . 45 ARG N . . . . . . . . . rr_1nct 1 . 1 . 702 . 1 1 60 ARG NE N -10.104 -8.992 -7.282 . . . 1.0 . . . . . . . . . . . . A . 45 ARG NE . . . . . . . . . rr_1nct 1 . 1 . 703 . 1 1 60 ARG NH1 N -10.415 -9.583 -5.123 . . . 1.0 . . . . . . . . . . . . A . 45 ARG NH1 . . . . . . . . . rr_1nct 1 . 1 . 704 . 1 1 60 ARG NH2 N -11.215 -10.895 -6.777 . . . 1.0 . . . . . . . . . . . . A . 45 ARG NH2 . . . . . . . . . rr_1nct 1 . 1 . 705 . 1 1 60 ARG O O -8.997 -2.402 -7.947 . . . 1.0 . . . . . . . . . . . . A . 45 ARG O . . . . . . . . . rr_1nct 1 . 1 . 706 . 1 1 61 HIS C C -5.312 -1.788 -7.980 . . . 1.0 . . . . . . . . . . . . A . 46 HIS C . . . . . . . . . rr_1nct 1 . 1 . 707 . 1 1 61 HIS CA C -6.433 -2.348 -7.103 . . . 1.0 . . . . . . . . . . . . A . 46 HIS CA . . . . . . . . . rr_1nct 1 . 1 . 708 . 1 1 61 HIS CB C -5.855 -2.881 -5.768 . . . 1.0 . . . . . . . . . . . . A . 46 HIS CB . . . . . . . . . rr_1nct 1 . 1 . 709 . 1 1 61 HIS CD2 C -5.263 -5.380 -6.382 . . . 1.0 . . . . . . . . . . . . A . 46 HIS CD2 . . . . . . . . . rr_1nct 1 . 1 . 710 . 1 1 61 HIS CE1 C -6.406 -6.364 -4.830 . . . 1.0 . . . . . . . . . . . . A . 46 HIS CE1 . . . . . . . . . rr_1nct 1 . 1 . 711 . 1 1 61 HIS CG C -5.881 -4.392 -5.662 . . . 1.0 . . . . . . . . . . . . A . 46 HIS CG . . . . . . . . . rr_1nct 1 . 1 . 712 . 1 1 61 HIS H H -6.583 -4.299 -7.990 . . . 1.0 . . . . . . . . . . . . A . 46 HIS H . . . . . . . . . rr_1nct 1 . 1 . 713 . 1 1 61 HIS HA H -7.159 -1.575 -6.899 . . . 1.0 . . . . . . . . . . . . A . 46 HIS HA . . . . . . . . . rr_1nct 1 . 1 . 714 . 1 1 61 HIS HB2 H -4.835 -2.546 -5.668 . . . 1.0 . . . . . . . . . . . . A . 46 HIS HB2 . . . . . . . . . rr_1nct 1 . 1 . 715 . 1 1 61 HIS HB3 H -6.435 -2.470 -4.964 . . . 1.0 . . . . . . . . . . . . A . 46 HIS HB3 . . . . . . . . . rr_1nct 1 . 1 . 716 . 1 1 61 HIS HD1 H -7.160 -4.619 -3.994 . . . 1.0 . . . . . . . . . . . . A . 46 HIS HD1 . . . . . . . . . rr_1nct 1 . 1 . 717 . 1 1 61 HIS HD2 H -4.638 -5.216 -7.241 . . . 1.0 . . . . . . . . . . . . A . 46 HIS HD2 . . . . . . . . . rr_1nct 1 . 1 . 718 . 1 1 61 HIS HE1 H -6.848 -7.121 -4.200 . . . 1.0 . . . . . . . . . . . . A . 46 HIS HE1 . . . . . . . . . rr_1nct 1 . 1 . 719 . 1 1 61 HIS N N -7.092 -3.489 -7.801 . . . 1.0 . . . . . . . . . . . . A . 46 HIS N . . . . . . . . . rr_1nct 1 . 1 . 720 . 1 1 61 HIS ND1 N -6.606 -5.043 -4.678 . . . 1.0 . . . . . . . . . . . . A . 46 HIS ND1 . . . . . . . . . rr_1nct 1 . 1 . 721 . 1 1 61 HIS NE2 N -5.593 -6.625 -5.855 . . . 1.0 . . . . . . . . . . . . A . 46 HIS NE2 . . . . . . . . . rr_1nct 1 . 1 . 722 . 1 1 61 HIS O O -4.939 -2.379 -8.973 . . . 1.0 . . . . . . . . . . . . A . 46 HIS O . . . . . . . . . rr_1nct 1 . 1 . 723 . 1 1 62 GLN C C -2.661 0.639 -7.554 . . . 1.0 . . . . . . . . . . . . A . 47 GLN C . . . . . . . . . rr_1nct 1 . 1 . 724 . 1 1 62 GLN CA C -3.685 -0.058 -8.455 . . . 1.0 . . . . . . . . . . . . A . 47 GLN CA . . . . . . . . . rr_1nct 1 . 1 . 725 . 1 1 62 GLN CB C -4.390 0.955 -9.366 . . . 1.0 . . . . . . . . . . . . A . 47 GLN CB . . . . . . . . . rr_1nct 1 . 1 . 726 . 1 1 62 GLN CD C -2.423 0.923 -10.917 . . . 1.0 . . . . . . . . . . . . A . 47 GLN CD . . . . . . . . . rr_1nct 1 . 1 . 727 . 1 1 62 GLN CG C -3.354 1.818 -10.097 . . . 1.0 . . . . . . . . . . . . A . 47 GLN CG . . . . . . . . . rr_1nct 1 . 1 . 728 . 1 1 62 GLN H H -5.092 -0.178 -6.829 . . . 1.0 . . . . . . . . . . . . A . 47 GLN H . . . . . . . . . rr_1nct 1 . 1 . 729 . 1 1 62 GLN HA H -3.209 -0.819 -9.050 . . . 1.0 . . . . . . . . . . . . A . 47 GLN HA . . . . . . . . . rr_1nct 1 . 1 . 730 . 1 1 62 GLN HB2 H -4.991 0.426 -10.091 . . . 1.0 . . . . . . . . . . . . A . 47 GLN HB2 . . . . . . . . . rr_1nct 1 . 1 . 731 . 1 1 62 GLN HB3 H -5.026 1.591 -8.769 . . . 1.0 . . . . . . . . . . . . A . 47 GLN HB3 . . . . . . . . . rr_1nct 1 . 1 . 732 . 1 1 62 GLN HE21 H -0.766 1.797 -10.252 . . . 1.0 . . . . . . . . . . . . A . 47 GLN HE21 . . . . . . . . . rr_1nct 1 . 1 . 733 . 1 1 62 GLN HE22 H -0.527 0.532 -11.359 . . . 1.0 . . . . . . . . . . . . A . 47 GLN HE22 . . . . . . . . . rr_1nct 1 . 1 . 734 . 1 1 62 GLN HG2 H -3.862 2.508 -10.755 . . . 1.0 . . . . . . . . . . . . A . 47 GLN HG2 . . . . . . . . . rr_1nct 1 . 1 . 735 . 1 1 62 GLN HG3 H -2.773 2.372 -9.374 . . . 1.0 . . . . . . . . . . . . A . 47 GLN HG3 . . . . . . . . . rr_1nct 1 . 1 . 736 . 1 1 62 GLN N N -4.776 -0.648 -7.630 . . . 1.0 . . . . . . . . . . . . A . 47 GLN N . . . . . . . . . rr_1nct 1 . 1 . 737 . 1 1 62 GLN NE2 N -1.131 1.098 -10.835 . . . 1.0 . . . . . . . . . . . . A . 47 GLN NE2 . . . . . . . . . rr_1nct 1 . 1 . 738 . 1 1 62 GLN O O -2.888 1.730 -7.071 . . . 1.0 . . . . . . . . . . . . A . 47 GLN O . . . . . . . . . rr_1nct 1 . 1 . 739 . 1 1 62 GLN OE1 O -2.874 0.056 -11.638 . . . 1.0 . . . . . . . . . . . . A . 47 GLN OE1 . . . . . . . . . rr_1nct 1 . 1 . 740 . 1 1 63 VAL C C 0.614 1.253 -7.333 . . . 1.0 . . . . . . . . . . . . A . 48 VAL C . . . . . . . . . rr_1nct 1 . 1 . 741 . 1 1 63 VAL CA C -0.508 0.671 -6.462 . . . 1.0 . . . . . . . . . . . . A . 48 VAL CA . . . . . . . . . rr_1nct 1 . 1 . 742 . 1 1 63 VAL CB C -0.012 -0.448 -5.510 . . . 1.0 . . . . . . . . . . . . A . 48 VAL CB . . . . . . . . . rr_1nct 1 . 1 . 743 . 1 1 63 VAL CG1 C 1.437 -0.872 -5.813 . . . 1.0 . . . . . . . . . . . . A . 48 VAL CG1 . . . . . . . . . rr_1nct 1 . 1 . 744 . 1 1 63 VAL CG2 C -0.076 0.068 -4.077 . . . 1.0 . . . . . . . . . . . . A . 48 VAL CG2 . . . . . . . . . rr_1nct 1 . 1 . 745 . 1 1 63 VAL H H -1.361 -0.853 -7.722 . . . 1.0 . . . . . . . . . . . . A . 48 VAL H . . . . . . . . . rr_1nct 1 . 1 . 746 . 1 1 63 VAL HA H -0.965 1.459 -5.883 . . . 1.0 . . . . . . . . . . . . A . 48 VAL HA . . . . . . . . . rr_1nct 1 . 1 . 747 . 1 1 63 VAL HB H -0.661 -1.306 -5.603 . . . 1.0 . . . . . . . . . . . . A . 48 VAL HB . . . . . . . . . rr_1nct 1 . 1 . 748 . 1 1 63 VAL HG11 H 1.570 -0.968 -6.880 . . . 1.0 . . . . . . . . . . . . A . 48 VAL HG11 . . . . . . . . . rr_1nct 1 . 1 . 749 . 1 1 63 VAL HG12 H 2.118 -0.123 -5.431 . . . 1.0 . . . . . . . . . . . . A . 48 VAL HG12 . . . . . . . . . rr_1nct 1 . 1 . 750 . 1 1 63 VAL HG13 H 1.644 -1.818 -5.336 . . . 1.0 . . . . . . . . . . . . A . 48 VAL HG13 . . . . . . . . . rr_1nct 1 . 1 . 751 . 1 1 63 VAL HG21 H -0.844 0.819 -4.004 . . . 1.0 . . . . . . . . . . . . A . 48 VAL HG21 . . . . . . . . . rr_1nct 1 . 1 . 752 . 1 1 63 VAL HG22 H -0.304 -0.748 -3.410 . . . 1.0 . . . . . . . . . . . . A . 48 VAL HG22 . . . . . . . . . rr_1nct 1 . 1 . 753 . 1 1 63 VAL HG23 H 0.876 0.500 -3.808 . . . 1.0 . . . . . . . . . . . . A . 48 VAL HG23 . . . . . . . . . rr_1nct 1 . 1 . 754 . 1 1 63 VAL N N -1.533 0.025 -7.325 . . . 1.0 . . . . . . . . . . . . A . 48 VAL N . . . . . . . . . rr_1nct 1 . 1 . 755 . 1 1 63 VAL O O 0.569 1.202 -8.546 . . . 1.0 . . . . . . . . . . . . A . 48 VAL O . . . . . . . . . rr_1nct 1 . 1 . 756 . 1 1 64 THR C C 3.877 2.746 -6.516 . . . 1.0 . . . . . . . . . . . . A . 49 THR C . . . . . . . . . rr_1nct 1 . 1 . 757 . 1 1 64 THR CA C 2.751 2.381 -7.480 . . . 1.0 . . . . . . . . . . . . A . 49 THR CA . . . . . . . . . rr_1nct 1 . 1 . 758 . 1 1 64 THR CB C 2.183 3.633 -8.152 . . . 1.0 . . . . . . . . . . . . A . 49 THR CB . . . . . . . . . rr_1nct 1 . 1 . 759 . 1 1 64 THR CG2 C 1.514 4.521 -7.102 . . . 1.0 . . . . . . . . . . . . A . 49 THR CG2 . . . . . . . . . rr_1nct 1 . 1 . 760 . 1 1 64 THR H H 1.627 1.823 -5.733 . . . 1.0 . . . . . . . . . . . . A . 49 THR H . . . . . . . . . rr_1nct 1 . 1 . 761 . 1 1 64 THR HA H 3.101 1.684 -8.226 . . . 1.0 . . . . . . . . . . . . A . 49 THR HA . . . . . . . . . rr_1nct 1 . 1 . 762 . 1 1 64 THR HB H 1.452 3.345 -8.892 . . . 1.0 . . . . . . . . . . . . A . 49 THR HB . . . . . . . . . rr_1nct 1 . 1 . 763 . 1 1 64 THR HG1 H 3.699 4.853 -8.107 . . . 1.0 . . . . . . . . . . . . A . 49 THR HG1 . . . . . . . . . rr_1nct 1 . 1 . 764 . 1 1 64 THR HG21 H 1.825 4.206 -6.116 . . . 1.0 . . . . . . . . . . . . A . 49 THR HG21 . . . . . . . . . rr_1nct 1 . 1 . 765 . 1 1 64 THR HG22 H 1.805 5.548 -7.261 . . . 1.0 . . . . . . . . . . . . A . 49 THR HG22 . . . . . . . . . rr_1nct 1 . 1 . 766 . 1 1 64 THR HG23 H 0.441 4.432 -7.186 . . . 1.0 . . . . . . . . . . . . A . 49 THR HG23 . . . . . . . . . rr_1nct 1 . 1 . 767 . 1 1 64 THR N N 1.617 1.798 -6.712 . . . 1.0 . . . . . . . . . . . . A . 49 THR N . . . . . . . . . rr_1nct 1 . 1 . 768 . 1 1 64 THR O O 3.727 2.647 -5.318 . . . 1.0 . . . . . . . . . . . . A . 49 THR O . . . . . . . . . rr_1nct 1 . 1 . 769 . 1 1 64 THR OG1 O 3.238 4.349 -8.781 . . . 1.0 . . . . . . . . . . . . A . 49 THR OG1 . . . . . . . . . rr_1nct 1 . 1 . 770 . 1 1 65 THR C C 7.115 4.447 -6.829 . . . 1.0 . . . . . . . . . . . . A . 50 THR C . . . . . . . . . rr_1nct 1 . 1 . 771 . 1 1 65 THR CA C 6.124 3.528 -6.108 . . . 1.0 . . . . . . . . . . . . A . 50 THR CA . . . . . . . . . rr_1nct 1 . 1 . 772 . 1 1 65 THR CB C 6.792 2.200 -5.753 . . . 1.0 . . . . . . . . . . . . A . 50 THR CB . . . . . . . . . rr_1nct 1 . 1 . 773 . 1 1 65 THR CG2 C 7.690 2.397 -4.535 . . . 1.0 . . . . . . . . . . . . A . 50 THR CG2 . . . . . . . . . rr_1nct 1 . 1 . 774 . 1 1 65 THR H H 5.112 3.238 -7.990 . . . 1.0 . . . . . . . . . . . . A . 50 THR H . . . . . . . . . rr_1nct 1 . 1 . 775 . 1 1 65 THR HA H 5.744 3.998 -5.213 . . . 1.0 . . . . . . . . . . . . A . 50 THR HA . . . . . . . . . rr_1nct 1 . 1 . 776 . 1 1 65 THR HB H 7.390 1.862 -6.586 . . . 1.0 . . . . . . . . . . . . A . 50 THR HB . . . . . . . . . rr_1nct 1 . 1 . 777 . 1 1 65 THR HG1 H 6.220 0.499 -5.004 . . . 1.0 . . . . . . . . . . . . A . 50 THR HG1 . . . . . . . . . rr_1nct 1 . 1 . 778 . 1 1 65 THR HG21 H 7.131 2.891 -3.754 . . . 1.0 . . . . . . . . . . . . A . 50 THR HG21 . . . . . . . . . rr_1nct 1 . 1 . 779 . 1 1 65 THR HG22 H 8.027 1.434 -4.179 . . . 1.0 . . . . . . . . . . . . A . 50 THR HG22 . . . . . . . . . rr_1nct 1 . 1 . 780 . 1 1 65 THR HG23 H 8.541 3.000 -4.807 . . . 1.0 . . . . . . . . . . . . A . 50 THR HG23 . . . . . . . . . rr_1nct 1 . 1 . 781 . 1 1 65 THR N N 5.002 3.164 -7.019 . . . 1.0 . . . . . . . . . . . . A . 50 THR N . . . . . . . . . rr_1nct 1 . 1 . 782 . 1 1 65 THR O O 7.201 4.447 -8.040 . . . 1.0 . . . . . . . . . . . . A . 50 THR O . . . . . . . . . rr_1nct 1 . 1 . 783 . 1 1 65 THR OG1 O 5.796 1.232 -5.457 . . . 1.0 . . . . . . . . . . . . A . 50 THR OG1 . . . . . . . . . rr_1nct 1 . 1 . 784 . 1 1 66 THR C C 10.274 5.752 -6.327 . . . 1.0 . . . . . . . . . . . . A . 51 THR C . . . . . . . . . rr_1nct 1 . 1 . 785 . 1 1 66 THR CA C 8.856 6.128 -6.758 . . . 1.0 . . . . . . . . . . . . A . 51 THR CA . . . . . . . . . rr_1nct 1 . 1 . 786 . 1 1 66 THR CB C 8.481 7.537 -6.286 . . . 1.0 . . . . . . . . . . . . A . 51 THR CB . . . . . . . . . rr_1nct 1 . 1 . 787 . 1 1 66 THR CG2 C 9.537 8.539 -6.758 . . . 1.0 . . . . . . . . . . . . A . 51 THR CG2 . . . . . . . . . rr_1nct 1 . 1 . 788 . 1 1 66 THR H H 7.795 5.212 -5.119 . . . 1.0 . . . . . . . . . . . . A . 51 THR H . . . . . . . . . rr_1nct 1 . 1 . 789 . 1 1 66 THR HA H 8.766 6.065 -7.824 . . . 1.0 . . . . . . . . . . . . A . 51 THR HA . . . . . . . . . rr_1nct 1 . 1 . 790 . 1 1 66 THR HB H 8.428 7.555 -5.209 . . . 1.0 . . . . . . . . . . . . A . 51 THR HB . . . . . . . . . rr_1nct 1 . 1 . 791 . 1 1 66 THR HG1 H 6.537 7.478 -6.288 . . . 1.0 . . . . . . . . . . . . A . 51 THR HG1 . . . . . . . . . rr_1nct 1 . 1 . 792 . 1 1 66 THR HG21 H 10.518 8.186 -6.477 . . . 1.0 . . . . . . . . . . . . A . 51 THR HG21 . . . . . . . . . rr_1nct 1 . 1 . 793 . 1 1 66 THR HG22 H 9.483 8.638 -7.832 . . . 1.0 . . . . . . . . . . . . A . 51 THR HG22 . . . . . . . . . rr_1nct 1 . 1 . 794 . 1 1 66 THR HG23 H 9.353 9.498 -6.297 . . . 1.0 . . . . . . . . . . . . A . 51 THR HG23 . . . . . . . . . rr_1nct 1 . 1 . 795 . 1 1 66 THR N N 7.871 5.224 -6.099 . . . 1.0 . . . . . . . . . . . . A . 51 THR N . . . . . . . . . rr_1nct 1 . 1 . 796 . 1 1 66 THR O O 10.962 5.007 -6.996 . . . 1.0 . . . . . . . . . . . . A . 51 THR O . . . . . . . . . rr_1nct 1 . 1 . 797 . 1 1 66 THR OG1 O 7.216 7.891 -6.827 . . . 1.0 . . . . . . . . . . . . A . 51 THR OG1 . . . . . . . . . rr_1nct 1 . 1 . 798 . 1 1 67 LYS C C 12.034 5.664 -3.216 . . . 1.0 . . . . . . . . . . . . A . 52 LYS C . . . . . . . . . rr_1nct 1 . 1 . 799 . 1 1 67 LYS CA C 12.079 5.916 -4.724 . . . 1.0 . . . . . . . . . . . . A . 52 LYS CA . . . . . . . . . rr_1nct 1 . 1 . 800 . 1 1 67 LYS CB C 12.933 7.146 -5.040 . . . 1.0 . . . . . . . . . . . . A . 52 LYS CB . . . . . . . . . rr_1nct 1 . 1 . 801 . 1 1 67 LYS CD C 14.593 6.839 -6.887 . . . 1.0 . . . . . . . . . . . . A . 52 LYS CD . . . . . . . . . rr_1nct 1 . 1 . 802 . 1 1 67 LYS CE C 14.796 5.353 -6.577 . . . 1.0 . . . . . . . . . . . . A . 52 LYS CE . . . . . . . . . rr_1nct 1 . 1 . 803 . 1 1 67 LYS CG C 13.155 7.242 -6.552 . . . 1.0 . . . . . . . . . . . . A . 52 LYS CG . . . . . . . . . rr_1nct 1 . 1 . 804 . 1 1 67 LYS H H 10.136 6.839 -4.688 . . . 1.0 . . . . . . . . . . . . A . 52 LYS H . . . . . . . . . rr_1nct 1 . 1 . 805 . 1 1 67 LYS HA H 12.464 5.052 -5.241 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HA . . . . . . . . . rr_1nct 1 . 1 . 806 . 1 1 67 LYS HB2 H 12.425 8.034 -4.693 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HB2 . . . . . . . . . rr_1nct 1 . 1 . 807 . 1 1 67 LYS HB3 H 13.887 7.060 -4.543 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HB3 . . . . . . . . . rr_1nct 1 . 1 . 808 . 1 1 67 LYS HD2 H 14.781 7.017 -7.936 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HD2 . . . . . . . . . rr_1nct 1 . 1 . 809 . 1 1 67 LYS HD3 H 15.279 7.425 -6.294 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HD3 . . . . . . . . . rr_1nct 1 . 1 . 810 . 1 1 67 LYS HE2 H 15.850 5.109 -6.589 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HE2 . . . . . . . . . rr_1nct 1 . 1 . 811 . 1 1 67 LYS HE3 H 14.362 5.105 -5.621 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HE3 . . . . . . . . . rr_1nct 1 . 1 . 812 . 1 1 67 LYS HG2 H 12.467 6.582 -7.060 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HG2 . . . . . . . . . rr_1nct 1 . 1 . 813 . 1 1 67 LYS HG3 H 12.984 8.258 -6.876 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HG3 . . . . . . . . . rr_1nct 1 . 1 . 814 . 1 1 67 LYS HZ1 H 14.295 5.080 -8.579 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HZ1 . . . . . . . . . rr_1nct 1 . 1 . 815 . 1 1 67 LYS HZ2 H 14.393 3.638 -7.686 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HZ2 . . . . . . . . . rr_1nct 1 . 1 . 816 . 1 1 67 LYS HZ3 H 13.057 4.669 -7.495 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HZ3 . . . . . . . . . rr_1nct 1 . 1 . 817 . 1 1 67 LYS N N 10.711 6.251 -5.211 . . . 1.0 . . . . . . . . . . . . A . 52 LYS N . . . . . . . . . rr_1nct 1 . 1 . 818 . 1 1 67 LYS NZ N 14.081 4.631 -7.667 . . . 1.0 . . . . . . . . . . . . A . 52 LYS NZ . . . . . . . . . rr_1nct 1 . 1 . 819 . 1 1 67 LYS O O 12.214 4.554 -2.754 . . . 1.0 . . . . . . . . . . . . A . 52 LYS O . . . . . . . . . rr_1nct 1 . 1 . 820 . 1 1 68 TYR C C 10.296 6.826 -0.498 . . . 1.0 . . . . . . . . . . . . A . 53 TYR C . . . . . . . . . rr_1nct 1 . 1 . 821 . 1 1 68 TYR CA C 11.708 6.515 -0.969 . . . 1.0 . . . . . . . . . . . . A . 53 TYR CA . . . . . . . . . rr_1nct 1 . 1 . 822 . 1 1 68 TYR CB C 12.672 7.534 -0.390 . . . 1.0 . . . . . . . . . . . . A . 53 TYR CB . . . . . . . . . rr_1nct 1 . 1 . 823 . 1 1 68 TYR CD1 C 14.237 8.088 -2.281 . . . 1.0 . . . . . . . . . . . . A . 53 TYR CD1 . . . . . . . . . rr_1nct 1 . 1 . 824 . 1 1 68 TYR CD2 C 15.027 6.642 -0.503 . . . 1.0 . . . . . . . . . . . . A . 53 TYR CD2 . . . . . . . . . rr_1nct 1 . 1 . 825 . 1 1 68 TYR CE1 C 15.476 7.983 -2.921 . . . 1.0 . . . . . . . . . . . . A . 53 TYR CE1 . . . . . . . . . rr_1nct 1 . 1 . 826 . 1 1 68 TYR CE2 C 16.268 6.536 -1.142 . . . 1.0 . . . . . . . . . . . . A . 53 TYR CE2 . . . . . . . . . rr_1nct 1 . 1 . 827 . 1 1 68 TYR CG C 14.014 7.419 -1.073 . . . 1.0 . . . . . . . . . . . . A . 53 TYR CG . . . . . . . . . rr_1nct 1 . 1 . 828 . 1 1 68 TYR CZ C 16.493 7.208 -2.352 . . . 1.0 . . . . . . . . . . . . A . 53 TYR CZ . . . . . . . . . rr_1nct 1 . 1 . 829 . 1 1 68 TYR H H 11.632 7.569 -2.843 . . . 1.0 . . . . . . . . . . . . A . 53 TYR H . . . . . . . . . rr_1nct 1 . 1 . 830 . 1 1 68 TYR HA H 11.998 5.521 -0.683 . . . 1.0 . . . . . . . . . . . . A . 53 TYR HA . . . . . . . . . rr_1nct 1 . 1 . 831 . 1 1 68 TYR HB2 H 12.268 8.521 -0.540 . . . 1.0 . . . . . . . . . . . . A . 53 TYR HB2 . . . . . . . . . rr_1nct 1 . 1 . 832 . 1 1 68 TYR HB3 H 12.785 7.349 0.661 . . . 1.0 . . . . . . . . . . . . A . 53 TYR HB3 . . . . . . . . . rr_1nct 1 . 1 . 833 . 1 1 68 TYR HD1 H 13.451 8.684 -2.720 . . . 1.0 . . . . . . . . . . . . A . 53 TYR HD1 . . . . . . . . . rr_1nct 1 . 1 . 834 . 1 1 68 TYR HD2 H 14.853 6.123 0.429 . . . 1.0 . . . . . . . . . . . . A . 53 TYR HD2 . . . . . . . . . rr_1nct 1 . 1 . 835 . 1 1 68 TYR HE1 H 15.647 8.500 -3.853 . . . 1.0 . . . . . . . . . . . . A . 53 TYR HE1 . . . . . . . . . rr_1nct 1 . 1 . 836 . 1 1 68 TYR HE2 H 17.050 5.936 -0.703 . . . 1.0 . . . . . . . . . . . . A . 53 TYR HE2 . . . . . . . . . rr_1nct 1 . 1 . 837 . 1 1 68 TYR HH H 18.170 6.339 -2.627 . . . 1.0 . . . . . . . . . . . . A . 53 TYR HH . . . . . . . . . rr_1nct 1 . 1 . 838 . 1 1 68 TYR N N 11.782 6.686 -2.448 . . . 1.0 . . . . . . . . . . . . A . 53 TYR N . . . . . . . . . rr_1nct 1 . 1 . 839 . 1 1 68 TYR O O 10.081 7.293 0.601 . . . 1.0 . . . . . . . . . . . . A . 53 TYR O . . . . . . . . . rr_1nct 1 . 1 . 840 . 1 1 68 TYR OH O 17.717 7.105 -2.983 . . . 1.0 . . . . . . . . . . . . A . 53 TYR OH . . . . . . . . . rr_1nct 1 . 1 . 841 . 1 1 69 LYS C C 6.991 6.169 -1.947 . . . 1.0 . . . . . . . . . . . . A . 54 LYS C . . . . . . . . . rr_1nct 1 . 1 . 842 . 1 1 69 LYS CA C 7.929 6.884 -0.975 . . . 1.0 . . . . . . . . . . . . A . 54 LYS CA . . . . . . . . . rr_1nct 1 . 1 . 843 . 1 1 69 LYS CB C 7.778 8.410 -1.091 . . . 1.0 . . . . . . . . . . . . A . 54 LYS CB . . . . . . . . . rr_1nct 1 . 1 . 844 . 1 1 69 LYS CD C 7.655 10.061 -2.975 . . . 1.0 . . . . . . . . . . . . A . 54 LYS CD . . . . . . . . . rr_1nct 1 . 1 . 845 . 1 1 69 LYS CE C 6.257 9.552 -3.339 . . . 1.0 . . . . . . . . . . . . A . 54 LYS CE . . . . . . . . . rr_1nct 1 . 1 . 846 . 1 1 69 LYS CG C 8.474 8.923 -2.361 . . . 1.0 . . . . . . . . . . . . A . 54 LYS CG . . . . . . . . . rr_1nct 1 . 1 . 847 . 1 1 69 LYS H H 9.556 6.235 -2.224 . . . 1.0 . . . . . . . . . . . . A . 54 LYS H . . . . . . . . . rr_1nct 1 . 1 . 848 . 1 1 69 LYS HA H 7.730 6.570 0.038 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HA . . . . . . . . . rr_1nct 1 . 1 . 849 . 1 1 69 LYS HB2 H 6.729 8.662 -1.130 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HB2 . . . . . . . . . rr_1nct 1 . 1 . 850 . 1 1 69 LYS HB3 H 8.225 8.878 -0.227 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HB3 . . . . . . . . . rr_1nct 1 . 1 . 851 . 1 1 69 LYS HD2 H 7.570 10.868 -2.262 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HD2 . . . . . . . . . rr_1nct 1 . 1 . 852 . 1 1 69 LYS HD3 H 8.148 10.419 -3.867 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HD3 . . . . . . . . . rr_1nct 1 . 1 . 853 . 1 1 69 LYS HE2 H 6.227 8.473 -3.290 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HE2 . . . . . . . . . rr_1nct 1 . 1 . 854 . 1 1 69 LYS HE3 H 5.518 9.980 -2.678 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HE3 . . . . . . . . . rr_1nct 1 . 1 . 855 . 1 1 69 LYS HG2 H 9.462 9.285 -2.107 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HG2 . . . . . . . . . rr_1nct 1 . 1 . 856 . 1 1 69 LYS HG3 H 8.562 8.117 -3.074 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HG3 . . . . . . . . . rr_1nct 1 . 1 . 857 . 1 1 69 LYS HZ1 H 6.433 10.965 -4.862 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HZ1 . . . . . . . . . rr_1nct 1 . 1 . 858 . 1 1 69 LYS HZ2 H 6.469 9.358 -5.401 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HZ2 . . . . . . . . . rr_1nct 1 . 1 . 859 . 1 1 69 LYS HZ3 H 4.999 10.056 -4.919 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HZ3 . . . . . . . . . rr_1nct 1 . 1 . 860 . 1 1 69 LYS N N 9.342 6.592 -1.339 . . . 1.0 . . . . . . . . . . . . A . 54 LYS N . . . . . . . . . rr_1nct 1 . 1 . 861 . 1 1 69 LYS NZ N 6.022 10.018 -4.735 . . . 1.0 . . . . . . . . . . . . A . 54 LYS NZ . . . . . . . . . rr_1nct 1 . 1 . 862 . 1 1 69 LYS O O 6.991 6.432 -3.132 . . . 1.0 . . . . . . . . . . . . A . 54 LYS O . . . . . . . . . rr_1nct 1 . 1 . 863 . 1 1 70 SER C C 3.873 5.152 -2.289 . . . 1.0 . . . . . . . . . . . . A . 55 SER C . . . . . . . . . rr_1nct 1 . 1 . 864 . 1 1 70 SER CA C 5.267 4.534 -2.361 . . . 1.0 . . . . . . . . . . . . A . 55 SER CA . . . . . . . . . rr_1nct 1 . 1 . 865 . 1 1 70 SER CB C 5.235 3.095 -1.845 . . . 1.0 . . . . . . . . . . . . A . 55 SER CB . . . . . . . . . rr_1nct 1 . 1 . 866 . 1 1 70 SER H H 6.209 5.060 -0.503 . . . 1.0 . . . . . . . . . . . . A . 55 SER H . . . . . . . . . rr_1nct 1 . 1 . 867 . 1 1 70 SER HA H 5.632 4.556 -3.373 . . . 1.0 . . . . . . . . . . . . A . 55 SER HA . . . . . . . . . rr_1nct 1 . 1 . 868 . 1 1 70 SER HB2 H 6.210 2.794 -1.507 . . . 1.0 . . . . . . . . . . . . A . 55 SER HB2 . . . . . . . . . rr_1nct 1 . 1 . 869 . 1 1 70 SER HB3 H 4.545 3.028 -1.024 . . . 1.0 . . . . . . . . . . . . A . 55 SER HB3 . . . . . . . . . rr_1nct 1 . 1 . 870 . 1 1 70 SER HG H 3.877 2.335 -2.990 . . . 1.0 . . . . . . . . . . . . A . 55 SER HG . . . . . . . . . rr_1nct 1 . 1 . 871 . 1 1 70 SER N N 6.196 5.262 -1.459 . . . 1.0 . . . . . . . . . . . . A . 55 SER N . . . . . . . . . rr_1nct 1 . 1 . 872 . 1 1 70 SER O O 3.621 6.054 -1.518 . . . 1.0 . . . . . . . . . . . . A . 55 SER O . . . . . . . . . rr_1nct 1 . 1 . 873 . 1 1 70 SER OG O 4.820 2.244 -2.897 . . . 1.0 . . . . . . . . . . . . A . 55 SER OG . . . . . . . . . rr_1nct 1 . 1 . 874 . 1 1 71 THR C C 0.593 4.162 -3.521 . . . 1.0 . . . . . . . . . . . . A . 56 THR C . . . . . . . . . rr_1nct 1 . 1 . 875 . 1 1 71 THR CA C 1.591 5.225 -3.070 . . . 1.0 . . . . . . . . . . . . A . 56 THR CA . . . . . . . . . rr_1nct 1 . 1 . 876 . 1 1 71 THR CB C 1.631 6.399 -4.046 . . . 1.0 . . . . . . . . . . . . A . 56 THR CB . . . . . . . . . rr_1nct 1 . 1 . 877 . 1 1 71 THR CG2 C 2.205 7.623 -3.336 . . . 1.0 . . . . . . . . . . . . A . 56 THR CG2 . . . . . . . . . rr_1nct 1 . 1 . 878 . 1 1 71 THR H H 3.190 3.945 -3.701 . . . 1.0 . . . . . . . . . . . . A . 56 THR H . . . . . . . . . rr_1nct 1 . 1 . 879 . 1 1 71 THR HA H 1.342 5.571 -2.085 . . . 1.0 . . . . . . . . . . . . A . 56 THR HA . . . . . . . . . rr_1nct 1 . 1 . 880 . 1 1 71 THR HB H 0.633 6.620 -4.391 . . . 1.0 . . . . . . . . . . . . A . 56 THR HB . . . . . . . . . rr_1nct 1 . 1 . 881 . 1 1 71 THR HG1 H 2.699 6.878 -5.599 . . . 1.0 . . . . . . . . . . . . A . 56 THR HG1 . . . . . . . . . rr_1nct 1 . 1 . 882 . 1 1 71 THR HG21 H 2.121 7.490 -2.268 . . . 1.0 . . . . . . . . . . . . A . 56 THR HG21 . . . . . . . . . rr_1nct 1 . 1 . 883 . 1 1 71 THR HG22 H 3.245 7.738 -3.604 . . . 1.0 . . . . . . . . . . . . A . 56 THR HG22 . . . . . . . . . rr_1nct 1 . 1 . 884 . 1 1 71 THR HG23 H 1.656 8.503 -3.635 . . . 1.0 . . . . . . . . . . . . A . 56 THR HG23 . . . . . . . . . rr_1nct 1 . 1 . 885 . 1 1 71 THR N N 2.966 4.670 -3.089 . . . 1.0 . . . . . . . . . . . . A . 56 THR N . . . . . . . . . rr_1nct 1 . 1 . 886 . 1 1 71 THR O O 0.891 3.323 -4.349 . . . 1.0 . . . . . . . . . . . . A . 56 THR O . . . . . . . . . rr_1nct 1 . 1 . 887 . 1 1 71 THR OG1 O 2.457 6.064 -5.151 . . . 1.0 . . . . . . . . . . . . A . 56 THR OG1 . . . . . . . . . rr_1nct 1 . 1 . 888 . 1 1 72 PHE C C -2.966 3.828 -3.541 . . . 1.0 . . . . . . . . . . . . A . 57 PHE C . . . . . . . . . rr_1nct 1 . 1 . 889 . 1 1 72 PHE CA C -1.601 3.167 -3.350 . . . 1.0 . . . . . . . . . . . . A . 57 PHE CA . . . . . . . . . rr_1nct 1 . 1 . 890 . 1 1 72 PHE CB C -1.630 2.193 -2.165 . . . 1.0 . . . . . . . . . . . . A . 57 PHE CB . . . . . . . . . rr_1nct 1 . 1 . 891 . 1 1 72 PHE CD1 C -3.219 0.796 -3.562 . . . 1.0 . . . . . . . . . . . . A . 57 PHE CD1 . . . . . . . . . rr_1nct 1 . 1 . 892 . 1 1 72 PHE CD2 C -3.394 0.704 -1.145 . . . 1.0 . . . . . . . . . . . . A . 57 PHE CD2 . . . . . . . . . rr_1nct 1 . 1 . 893 . 1 1 72 PHE CE1 C -4.271 -0.120 -3.674 . . . 1.0 . . . . . . . . . . . . A . 57 PHE CE1 . . . . . . . . . rr_1nct 1 . 1 . 894 . 1 1 72 PHE CE2 C -4.444 -0.214 -1.258 . . . 1.0 . . . . . . . . . . . . A . 57 PHE CE2 . . . . . . . . . rr_1nct 1 . 1 . 895 . 1 1 72 PHE CG C -2.779 1.211 -2.297 . . . 1.0 . . . . . . . . . . . . A . 57 PHE CG . . . . . . . . . rr_1nct 1 . 1 . 896 . 1 1 72 PHE CZ C -4.882 -0.627 -2.522 . . . 1.0 . . . . . . . . . . . . A . 57 PHE CZ . . . . . . . . . rr_1nct 1 . 1 . 897 . 1 1 72 PHE H H -0.801 4.862 -2.295 . . . 1.0 . . . . . . . . . . . . A . 57 PHE H . . . . . . . . . rr_1nct 1 . 1 . 898 . 1 1 72 PHE HA H -1.298 2.654 -4.247 . . . 1.0 . . . . . . . . . . . . A . 57 PHE HA . . . . . . . . . rr_1nct 1 . 1 . 899 . 1 1 72 PHE HB2 H -0.699 1.646 -2.133 . . . 1.0 . . . . . . . . . . . . A . 57 PHE HB2 . . . . . . . . . rr_1nct 1 . 1 . 900 . 1 1 72 PHE HB3 H -1.744 2.752 -1.248 . . . 1.0 . . . . . . . . . . . . A . 57 PHE HB3 . . . . . . . . . rr_1nct 1 . 1 . 901 . 1 1 72 PHE HD1 H -2.751 1.189 -4.451 . . . 1.0 . . . . . . . . . . . . A . 57 PHE HD1 . . . . . . . . . rr_1nct 1 . 1 . 902 . 1 1 72 PHE HD2 H -3.060 1.024 -0.168 . . . 1.0 . . . . . . . . . . . . A . 57 PHE HD2 . . . . . . . . . rr_1nct 1 . 1 . 903 . 1 1 72 PHE HE1 H -4.607 -0.439 -4.650 . . . 1.0 . . . . . . . . . . . . A . 57 PHE HE1 . . . . . . . . . rr_1nct 1 . 1 . 904 . 1 1 72 PHE HE2 H -4.916 -0.605 -0.370 . . . 1.0 . . . . . . . . . . . . A . 57 PHE HE2 . . . . . . . . . rr_1nct 1 . 1 . 905 . 1 1 72 PHE HZ H -5.692 -1.336 -2.607 . . . 1.0 . . . . . . . . . . . . A . 57 PHE HZ . . . . . . . . . rr_1nct 1 . 1 . 906 . 1 1 72 PHE N N -0.586 4.184 -2.969 . . . 1.0 . . . . . . . . . . . . A . 57 PHE N . . . . . . . . . rr_1nct 1 . 1 . 907 . 1 1 72 PHE O O -3.449 4.530 -2.681 . . . 1.0 . . . . . . . . . . . . A . 57 PHE O . . . . . . . . . rr_1nct 1 . 1 . 908 . 1 1 73 GLU C C -5.917 3.112 -5.321 . . . 1.0 . . . . . . . . . . . . A . 58 GLU C . . . . . . . . . rr_1nct 1 . 1 . 909 . 1 1 73 GLU CA C -4.937 4.204 -4.883 . . . 1.0 . . . . . . . . . . . . A . 58 GLU CA . . . . . . . . . rr_1nct 1 . 1 . 910 . 1 1 73 GLU CB C -4.729 5.241 -5.994 . . . 1.0 . . . . . . . . . . . . A . 58 GLU CB . . . . . . . . . rr_1nct 1 . 1 . 911 . 1 1 73 GLU CD C -5.611 4.610 -8.247 . . . 1.0 . . . . . . . . . . . . A . 58 GLU CD . . . . . . . . . rr_1nct 1 . 1 . 912 . 1 1 73 GLU CG C -4.398 4.540 -7.315 . . . 1.0 . . . . . . . . . . . . A . 58 GLU CG . . . . . . . . . rr_1nct 1 . 1 . 913 . 1 1 73 GLU H H -3.200 3.013 -5.336 . . . 1.0 . . . . . . . . . . . . A . 58 GLU H . . . . . . . . . rr_1nct 1 . 1 . 914 . 1 1 73 GLU HA H -5.283 4.691 -3.982 . . . 1.0 . . . . . . . . . . . . A . 58 GLU HA . . . . . . . . . rr_1nct 1 . 1 . 915 . 1 1 73 GLU HB2 H -5.632 5.822 -6.113 . . . 1.0 . . . . . . . . . . . . A . 58 GLU HB2 . . . . . . . . . rr_1nct 1 . 1 . 916 . 1 1 73 GLU HB3 H -3.915 5.896 -5.724 . . . 1.0 . . . . . . . . . . . . A . 58 GLU HB3 . . . . . . . . . rr_1nct 1 . 1 . 917 . 1 1 73 GLU HG2 H -3.555 5.029 -7.781 . . . 1.0 . . . . . . . . . . . . A . 58 GLU HG2 . . . . . . . . . rr_1nct 1 . 1 . 918 . 1 1 73 GLU HG3 H -4.154 3.506 -7.123 . . . 1.0 . . . . . . . . . . . . A . 58 GLU HG3 . . . . . . . . . rr_1nct 1 . 1 . 919 . 1 1 73 GLU N N -3.598 3.596 -4.655 . . . 1.0 . . . . . . . . . . . . A . 58 GLU N . . . . . . . . . rr_1nct 1 . 1 . 920 . 1 1 73 GLU O O -5.562 2.213 -6.058 . . . 1.0 . . . . . . . . . . . . A . 58 GLU O . . . . . . . . . rr_1nct 1 . 1 . 921 . 1 1 73 GLU OE1 O -6.712 4.770 -7.744 . . . 1.0 . . . . . . . . . . . . A . 58 GLU OE1 . . . . . . . . . rr_1nct 1 . 1 . 922 . 1 1 73 GLU OE2 O -5.418 4.503 -9.447 . . . 1.0 . . . . . . . . . . . . A . 58 GLU OE2 . . . . . . . . . rr_1nct 1 . 1 . 923 . 1 1 74 ILE C C -9.290 2.720 -6.035 . . . 1.0 . . . . . . . . . . . . A . 59 ILE C . . . . . . . . . rr_1nct 1 . 1 . 924 . 1 1 74 ILE CA C -8.112 2.112 -5.282 . . . 1.0 . . . . . . . . . . . . A . 59 ILE CA . . . . . . . . . rr_1nct 1 . 1 . 925 . 1 1 74 ILE CB C -8.595 1.455 -3.992 . . . 1.0 . . . . . . . . . . . . A . 59 ILE CB . . . . . . . . . rr_1nct 1 . 1 . 926 . 1 1 74 ILE CD1 C -7.866 0.349 -1.859 . . . 1.0 . . . . . . . . . . . . A . 59 ILE CD1 . . . . . . . . . rr_1nct 1 . 1 . 927 . 1 1 74 ILE CG1 C -7.393 1.102 -3.106 . . . 1.0 . . . . . . . . . . . . A . 59 ILE CG1 . . . . . . . . . rr_1nct 1 . 1 . 928 . 1 1 74 ILE CG2 C -9.369 0.180 -4.338 . . . 1.0 . . . . . . . . . . . . A . 59 ILE CG2 . . . . . . . . . rr_1nct 1 . 1 . 929 . 1 1 74 ILE H H -7.415 3.894 -4.277 . . . 1.0 . . . . . . . . . . . . A . 59 ILE H . . . . . . . . . rr_1nct 1 . 1 . 930 . 1 1 74 ILE HA H -7.620 1.377 -5.900 . . . 1.0 . . . . . . . . . . . . A . 59 ILE HA . . . . . . . . . rr_1nct 1 . 1 . 931 . 1 1 74 ILE HB H -9.247 2.136 -3.475 . . . 1.0 . . . . . . . . . . . . A . 59 ILE HB . . . . . . . . . rr_1nct 1 . 1 . 932 . 1 1 74 ILE HD11 H -8.384 -0.551 -2.157 . . . 1.0 . . . . . . . . . . . . A . 59 ILE HD11 . . . . . . . . . rr_1nct 1 . 1 . 933 . 1 1 74 ILE HD12 H -7.012 0.088 -1.251 . . . 1.0 . . . . . . . . . . . . A . 59 ILE HD12 . . . . . . . . . rr_1nct 1 . 1 . 934 . 1 1 74 ILE HD13 H -8.534 0.978 -1.290 . . . 1.0 . . . . . . . . . . . . A . 59 ILE HD13 . . . . . . . . . rr_1nct 1 . 1 . 935 . 1 1 74 ILE HG12 H -6.710 0.480 -3.664 . . . 1.0 . . . . . . . . . . . . A . 59 ILE HG12 . . . . . . . . . rr_1nct 1 . 1 . 936 . 1 1 74 ILE HG13 H -6.890 2.009 -2.806 . . . 1.0 . . . . . . . . . . . . A . 59 ILE HG13 . . . . . . . . . rr_1nct 1 . 1 . 937 . 1 1 74 ILE HG21 H -10.160 0.416 -5.034 . . . 1.0 . . . . . . . . . . . . A . 59 ILE HG21 . . . . . . . . . rr_1nct 1 . 1 . 938 . 1 1 74 ILE HG22 H -8.697 -0.538 -4.787 . . . 1.0 . . . . . . . . . . . . A . 59 ILE HG22 . . . . . . . . . rr_1nct 1 . 1 . 939 . 1 1 74 ILE HG23 H -9.793 -0.239 -3.438 . . . 1.0 . . . . . . . . . . . . A . 59 ILE HG23 . . . . . . . . . rr_1nct 1 . 1 . 940 . 1 1 74 ILE N N -7.140 3.169 -4.875 . . . 1.0 . . . . . . . . . . . . A . 59 ILE N . . . . . . . . . rr_1nct 1 . 1 . 941 . 1 1 74 ILE O O -9.870 3.709 -5.629 . . . 1.0 . . . . . . . . . . . . A . 59 ILE O . . . . . . . . . rr_1nct 1 . 1 . 942 . 1 1 75 SER C C -11.264 1.548 -8.932 . . . 1.0 . . . . . . . . . . . . A . 60 SER C . . . . . . . . . rr_1nct 1 . 1 . 943 . 1 1 75 SER CA C -10.783 2.624 -7.947 . . . 1.0 . . . . . . . . . . . . A . 60 SER CA . . . . . . . . . rr_1nct 1 . 1 . 944 . 1 1 75 SER CB C -10.216 3.817 -8.707 . . . 1.0 . . . . . . . . . . . . A . 60 SER CB . . . . . . . . . rr_1nct 1 . 1 . 945 . 1 1 75 SER H H -9.146 1.330 -7.410 . . . 1.0 . . . . . . . . . . . . A . 60 SER H . . . . . . . . . rr_1nct 1 . 1 . 946 . 1 1 75 SER HA H -11.590 2.943 -7.310 . . . 1.0 . . . . . . . . . . . . A . 60 SER HA . . . . . . . . . rr_1nct 1 . 1 . 947 . 1 1 75 SER HB2 H -9.176 3.640 -8.920 . . . 1.0 . . . . . . . . . . . . A . 60 SER HB2 . . . . . . . . . rr_1nct 1 . 1 . 948 . 1 1 75 SER HB3 H -10.757 3.940 -9.636 . . . 1.0 . . . . . . . . . . . . A . 60 SER HB3 . . . . . . . . . rr_1nct 1 . 1 . 949 . 1 1 75 SER HG H -9.579 5.545 -8.077 . . . 1.0 . . . . . . . . . . . . A . 60 SER HG . . . . . . . . . rr_1nct 1 . 1 . 950 . 1 1 75 SER N N -9.640 2.119 -7.129 . . . 1.0 . . . . . . . . . . . . A . 60 SER N . . . . . . . . . rr_1nct 1 . 1 . 951 . 1 1 75 SER O O -11.964 1.834 -9.882 . . . 1.0 . . . . . . . . . . . . A . 60 SER O . . . . . . . . . rr_1nct 1 . 1 . 952 . 1 1 75 SER OG O -10.343 4.987 -7.909 . . . 1.0 . . . . . . . . . . . . A . 60 SER OG . . . . . . . . . rr_1nct 1 . 1 . 953 . 1 1 76 SER C C -11.866 -1.972 -8.855 . . . 1.0 . . . . . . . . . . . . A . 61 SER C . . . . . . . . . rr_1nct 1 . 1 . 954 . 1 1 76 SER CA C -11.311 -0.777 -9.641 . . . 1.0 . . . . . . . . . . . . A . 61 SER CA . . . . . . . . . rr_1nct 1 . 1 . 955 . 1 1 76 SER CB C -10.032 -1.175 -10.360 . . . 1.0 . . . . . . . . . . . . A . 61 SER CB . . . . . . . . . rr_1nct 1 . 1 . 956 . 1 1 76 SER H H -10.319 0.107 -7.955 . . . 1.0 . . . . . . . . . . . . A . 61 SER H . . . . . . . . . rr_1nct 1 . 1 . 957 . 1 1 76 SER HA H -12.031 -0.417 -10.350 . . . 1.0 . . . . . . . . . . . . A . 61 SER HA . . . . . . . . . rr_1nct 1 . 1 . 958 . 1 1 76 SER HB2 H -9.871 -0.527 -11.203 . . . 1.0 . . . . . . . . . . . . A . 61 SER HB2 . . . . . . . . . rr_1nct 1 . 1 . 959 . 1 1 76 SER HB3 H -9.209 -1.080 -9.673 . . . 1.0 . . . . . . . . . . . . A . 61 SER HB3 . . . . . . . . . rr_1nct 1 . 1 . 960 . 1 1 76 SER HG H -10.146 -2.508 -11.774 . . . 1.0 . . . . . . . . . . . . A . 61 SER HG . . . . . . . . . rr_1nct 1 . 1 . 961 . 1 1 76 SER N N -10.887 0.316 -8.718 . . . 1.0 . . . . . . . . . . . . A . 61 SER N . . . . . . . . . rr_1nct 1 . 1 . 962 . 1 1 76 SER O O -12.282 -2.956 -9.432 . . . 1.0 . . . . . . . . . . . . A . 61 SER O . . . . . . . . . rr_1nct 1 . 1 . 963 . 1 1 76 SER OG O -10.137 -2.519 -10.814 . . . 1.0 . . . . . . . . . . . . A . 61 SER OG . . . . . . . . . rr_1nct 1 . 1 . 964 . 1 1 77 VAL C C -13.634 -3.654 -7.301 . . . 1.0 . . . . . . . . . . . . A . 62 VAL C . . . . . . . . . rr_1nct 1 . 1 . 965 . 1 1 77 VAL CA C -12.366 -3.030 -6.705 . . . 1.0 . . . . . . . . . . . . A . 62 VAL CA . . . . . . . . . rr_1nct 1 . 1 . 966 . 1 1 77 VAL CB C -12.671 -2.402 -5.346 . . . 1.0 . . . . . . . . . . . . A . 62 VAL CB . . . . . . . . . rr_1nct 1 . 1 . 967 . 1 1 77 VAL CG1 C -13.763 -1.343 -5.499 . . . 1.0 . . . . . . . . . . . . A . 62 VAL CG1 . . . . . . . . . rr_1nct 1 . 1 . 968 . 1 1 77 VAL CG2 C -13.151 -3.488 -4.384 . . . 1.0 . . . . . . . . . . . . A . 62 VAL CG2 . . . . . . . . . rr_1nct 1 . 1 . 969 . 1 1 77 VAL H H -11.504 -1.101 -7.108 . . . 1.0 . . . . . . . . . . . . A . 62 VAL H . . . . . . . . . rr_1nct 1 . 1 . 970 . 1 1 77 VAL HA H -11.601 -3.780 -6.591 . . . 1.0 . . . . . . . . . . . . A . 62 VAL HA . . . . . . . . . rr_1nct 1 . 1 . 971 . 1 1 77 VAL HB H -11.776 -1.940 -4.955 . . . 1.0 . . . . . . . . . . . . A . 62 VAL HB . . . . . . . . . rr_1nct 1 . 1 . 972 . 1 1 77 VAL HG11 H -14.572 -1.742 -6.093 . . . 1.0 . . . . . . . . . . . . A . 62 VAL HG11 . . . . . . . . . rr_1nct 1 . 1 . 973 . 1 1 77 VAL HG12 H -14.134 -1.070 -4.523 . . . 1.0 . . . . . . . . . . . . A . 62 VAL HG12 . . . . . . . . . rr_1nct 1 . 1 . 974 . 1 1 77 VAL HG13 H -13.354 -0.470 -5.987 . . . 1.0 . . . . . . . . . . . . A . 62 VAL HG13 . . . . . . . . . rr_1nct 1 . 1 . 975 . 1 1 77 VAL HG21 H -12.905 -4.460 -4.787 . . . 1.0 . . . . . . . . . . . . A . 62 VAL HG21 . . . . . . . . . rr_1nct 1 . 1 . 976 . 1 1 77 VAL HG22 H -12.667 -3.362 -3.427 . . . 1.0 . . . . . . . . . . . . A . 62 VAL HG22 . . . . . . . . . rr_1nct 1 . 1 . 977 . 1 1 77 VAL HG23 H -14.221 -3.411 -4.261 . . . 1.0 . . . . . . . . . . . . A . 62 VAL HG23 . . . . . . . . . rr_1nct 1 . 1 . 978 . 1 1 77 VAL N N -11.858 -1.898 -7.545 . . . 1.0 . . . . . . . . . . . . A . 62 VAL N . . . . . . . . . rr_1nct 1 . 1 . 979 . 1 1 77 VAL O O -14.460 -2.979 -7.884 . . . 1.0 . . . . . . . . . . . . A . 62 VAL O . . . . . . . . . rr_1nct 1 . 1 . 980 . 1 1 78 GLN C C -15.897 -6.098 -6.591 . . . 1.0 . . . . . . . . . . . . A . 63 GLN C . . . . . . . . . rr_1nct 1 . 1 . 981 . 1 1 78 GLN CA C -14.984 -5.623 -7.725 . . . 1.0 . . . . . . . . . . . . A . 63 GLN CA . . . . . . . . . rr_1nct 1 . 1 . 982 . 1 1 78 GLN CB C -14.427 -6.815 -8.502 . . . 1.0 . . . . . . . . . . . . A . 63 GLN CB . . . . . . . . . rr_1nct 1 . 1 . 983 . 1 1 78 GLN CD C -12.975 -5.476 -10.043 . . . 1.0 . . . . . . . . . . . . A . 63 GLN CD . . . . . . . . . rr_1nct 1 . 1 . 984 . 1 1 78 GLN CG C -14.181 -6.413 -9.959 . . . 1.0 . . . . . . . . . . . . A . 63 GLN CG . . . . . . . . . rr_1nct 1 . 1 . 985 . 1 1 78 GLN H H -13.100 -5.467 -6.697 . . . 1.0 . . . . . . . . . . . . A . 63 GLN H . . . . . . . . . rr_1nct 1 . 1 . 986 . 1 1 78 GLN HA H -15.517 -4.963 -8.391 . . . 1.0 . . . . . . . . . . . . A . 63 GLN HA . . . . . . . . . rr_1nct 1 . 1 . 987 . 1 1 78 GLN HB2 H -13.498 -7.131 -8.054 . . . 1.0 . . . . . . . . . . . . A . 63 GLN HB2 . . . . . . . . . rr_1nct 1 . 1 . 988 . 1 1 78 GLN HB3 H -15.137 -7.627 -8.471 . . . 1.0 . . . . . . . . . . . . A . 63 GLN HB3 . . . . . . . . . rr_1nct 1 . 1 . 989 . 1 1 78 GLN HE21 H -13.372 -4.894 -11.900 . . . 1.0 . . . . . . . . . . . . A . 63 GLN HE21 . . . . . . . . . rr_1nct 1 . 1 . 990 . 1 1 78 GLN HE22 H -11.993 -4.196 -11.199 . . . 1.0 . . . . . . . . . . . . A . 63 GLN HE22 . . . . . . . . . rr_1nct 1 . 1 . 991 . 1 1 78 GLN HG2 H -13.987 -7.297 -10.547 . . . 1.0 . . . . . . . . . . . . A . 63 GLN HG2 . . . . . . . . . rr_1nct 1 . 1 . 992 . 1 1 78 GLN HG3 H -15.052 -5.907 -10.344 . . . 1.0 . . . . . . . . . . . . A . 63 GLN HG3 . . . . . . . . . rr_1nct 1 . 1 . 993 . 1 1 78 GLN N N -13.783 -4.943 -7.165 . . . 1.0 . . . . . . . . . . . . A . 63 GLN N . . . . . . . . . rr_1nct 1 . 1 . 994 . 1 1 78 GLN NE2 N -12.763 -4.799 -11.139 . . . 1.0 . . . . . . . . . . . . A . 63 GLN NE2 . . . . . . . . . rr_1nct 1 . 1 . 995 . 1 1 78 GLN O O -16.932 -5.517 -6.330 . . . 1.0 . . . . . . . . . . . . A . 63 GLN O . . . . . . . . . rr_1nct 1 . 1 . 996 . 1 1 78 GLN OE1 O -12.218 -5.359 -9.104 . . . 1.0 . . . . . . . . . . . . A . 63 GLN OE1 . . . . . . . . . rr_1nct 1 . 1 . 997 . 1 1 79 ALA C C -15.585 -8.648 -3.932 . . . 1.0 . . . . . . . . . . . . A . 64 ALA C . . . . . . . . . rr_1nct 1 . 1 . 998 . 1 1 79 ALA CA C -16.371 -7.657 -4.796 . . . 1.0 . . . . . . . . . . . . A . 64 ALA CA . . . . . . . . . rr_1nct 1 . 1 . 999 . 1 1 79 ALA CB C -17.547 -8.356 -5.478 . . . 1.0 . . . . . . . . . . . . A . 64 ALA CB . . . . . . . . . rr_1nct 1 . 1 . 1000 . 1 1 79 ALA H H -14.683 -7.604 -6.137 . . . 1.0 . . . . . . . . . . . . A . 64 ALA H . . . . . . . . . rr_1nct 1 . 1 . 1001 . 1 1 79 ALA HA H -16.730 -6.837 -4.195 . . . 1.0 . . . . . . . . . . . . A . 64 ALA HA . . . . . . . . . rr_1nct 1 . 1 . 1002 . 1 1 79 ALA HB1 H -17.305 -8.538 -6.514 . . . 1.0 . . . . . . . . . . . . A . 64 ALA HB1 . . . . . . . . . rr_1nct 1 . 1 . 1003 . 1 1 79 ALA HB2 H -17.743 -9.295 -4.983 . . . 1.0 . . . . . . . . . . . . A . 64 ALA HB2 . . . . . . . . . rr_1nct 1 . 1 . 1004 . 1 1 79 ALA HB3 H -18.423 -7.727 -5.418 . . . 1.0 . . . . . . . . . . . . A . 64 ALA HB3 . . . . . . . . . rr_1nct 1 . 1 . 1005 . 1 1 79 ALA N N -15.522 -7.149 -5.913 . . . 1.0 . . . . . . . . . . . . A . 64 ALA N . . . . . . . . . rr_1nct 1 . 1 . 1006 . 1 1 79 ALA O O -16.149 -9.526 -3.311 . . . 1.0 . . . . . . . . . . . . A . 64 ALA O . . . . . . . . . rr_1nct 1 . 1 . 1007 . 1 1 80 SER C C -12.201 -8.766 -2.555 . . . 1.0 . . . . . . . . . . . . A . 65 SER C . . . . . . . . . rr_1nct 1 . 1 . 1008 . 1 1 80 SER CA C -13.475 -9.456 -3.058 . . . 1.0 . . . . . . . . . . . . A . 65 SER CA . . . . . . . . . rr_1nct 1 . 1 . 1009 . 1 1 80 SER CB C -13.129 -10.611 -3.996 . . . 1.0 . . . . . . . . . . . . A . 65 SER CB . . . . . . . . . rr_1nct 1 . 1 . 1010 . 1 1 80 SER H H -13.848 -7.803 -4.394 . . . 1.0 . . . . . . . . . . . . A . 65 SER H . . . . . . . . . rr_1nct 1 . 1 . 1011 . 1 1 80 SER HA H -14.057 -9.821 -2.227 . . . 1.0 . . . . . . . . . . . . A . 65 SER HA . . . . . . . . . rr_1nct 1 . 1 . 1012 . 1 1 80 SER HB2 H -14.026 -11.149 -4.254 . . . 1.0 . . . . . . . . . . . . A . 65 SER HB2 . . . . . . . . . rr_1nct 1 . 1 . 1013 . 1 1 80 SER HB3 H -12.676 -10.219 -4.897 . . . 1.0 . . . . . . . . . . . . A . 65 SER HB3 . . . . . . . . . rr_1nct 1 . 1 . 1014 . 1 1 80 SER HG H -12.740 -12.188 -2.922 . . . 1.0 . . . . . . . . . . . . A . 65 SER HG . . . . . . . . . rr_1nct 1 . 1 . 1015 . 1 1 80 SER N N -14.287 -8.517 -3.886 . . . 1.0 . . . . . . . . . . . . A . 65 SER N . . . . . . . . . rr_1nct 1 . 1 . 1016 . 1 1 80 SER O O -11.262 -9.411 -2.130 . . . 1.0 . . . . . . . . . . . . A . 65 SER O . . . . . . . . . rr_1nct 1 . 1 . 1017 . 1 1 80 SER OG O -12.226 -11.494 -3.342 . . . 1.0 . . . . . . . . . . . . A . 65 SER OG . . . . . . . . . rr_1nct 1 . 1 . 1018 . 1 1 81 ASP C C -11.058 -6.471 -0.604 . . . 1.0 . . . . . . . . . . . . A . 66 ASP C . . . . . . . . . rr_1nct 1 . 1 . 1019 . 1 1 81 ASP CA C -10.949 -6.744 -2.108 . . . 1.0 . . . . . . . . . . . . A . 66 ASP CA . . . . . . . . . rr_1nct 1 . 1 . 1020 . 1 1 81 ASP CB C -10.938 -5.440 -2.891 . . . 1.0 . . . . . . . . . . . . A . 66 ASP CB . . . . . . . . . rr_1nct 1 . 1 . 1021 . 1 1 81 ASP CG C -9.942 -5.538 -4.047 . . . 1.0 . . . . . . . . . . . . A . 66 ASP CG . . . . . . . . . rr_1nct 1 . 1 . 1022 . 1 1 81 ASP H H -12.924 -6.953 -2.929 . . . 1.0 . . . . . . . . . . . . A . 66 ASP H . . . . . . . . . rr_1nct 1 . 1 . 1023 . 1 1 81 ASP HA H -10.065 -7.307 -2.330 . . . 1.0 . . . . . . . . . . . . A . 66 ASP HA . . . . . . . . . rr_1nct 1 . 1 . 1024 . 1 1 81 ASP HB2 H -11.918 -5.262 -3.279 . . . 1.0 . . . . . . . . . . . . A . 66 ASP HB2 . . . . . . . . . rr_1nct 1 . 1 . 1025 . 1 1 81 ASP HB3 H -10.656 -4.631 -2.239 . . . 1.0 . . . . . . . . . . . . A . 66 ASP HB3 . . . . . . . . . rr_1nct 1 . 1 . 1026 . 1 1 81 ASP N N -12.160 -7.462 -2.591 . . . 1.0 . . . . . . . . . . . . A . 66 ASP N . . . . . . . . . rr_1nct 1 . 1 . 1027 . 1 1 81 ASP O O -10.089 -6.130 0.046 . . . 1.0 . . . . . . . . . . . . A . 66 ASP O . . . . . . . . . rr_1nct 1 . 1 . 1028 . 1 1 81 ASP OD1 O -9.625 -6.649 -4.437 . . . 1.0 . . . . . . . . . . . . A . 66 ASP OD1 . . . . . . . . . rr_1nct 1 . 1 . 1029 . 1 1 81 ASP OD2 O -9.512 -4.500 -4.523 . . . 1.0 . . . . . . . . . . . . A . 66 ASP OD2 . . . . . . . . . rr_1nct 1 . 1 . 1030 . 1 1 82 GLU C C -11.849 -5.004 1.797 . . . 1.0 . . . . . . . . . . . . A . 67 GLU C . . . . . . . . . rr_1nct 1 . 1 . 1031 . 1 1 82 GLU CA C -12.401 -6.370 1.414 . . . 1.0 . . . . . . . . . . . . A . 67 GLU CA . . . . . . . . . rr_1nct 1 . 1 . 1032 . 1 1 82 GLU CB C -11.595 -7.463 2.103 . . . 1.0 . . . . . . . . . . . . A . 67 GLU CB . . . . . . . . . rr_1nct 1 . 1 . 1033 . 1 1 82 GLU CD C -12.124 -9.894 1.887 . . . 1.0 . . . . . . . . . . . . A . 67 GLU CD . . . . . . . . . rr_1nct 1 . 1 . 1034 . 1 1 82 GLU CG C -12.535 -8.579 2.554 . . . 1.0 . . . . . . . . . . . . A . 67 GLU CG . . . . . . . . . rr_1nct 1 . 1 . 1035 . 1 1 82 GLU H H -13.000 -6.896 -0.580 . . . 1.0 . . . . . . . . . . . . A . 67 GLU H . . . . . . . . . rr_1nct 1 . 1 . 1036 . 1 1 82 GLU HA H -13.440 -6.446 1.695 . . . 1.0 . . . . . . . . . . . . A . 67 GLU HA . . . . . . . . . rr_1nct 1 . 1 . 1037 . 1 1 82 GLU HB2 H -10.865 -7.857 1.413 . . . 1.0 . . . . . . . . . . . . A . 67 GLU HB2 . . . . . . . . . rr_1nct 1 . 1 . 1038 . 1 1 82 GLU HB3 H -11.093 -7.047 2.963 . . . 1.0 . . . . . . . . . . . . A . 67 GLU HB3 . . . . . . . . . rr_1nct 1 . 1 . 1039 . 1 1 82 GLU HG2 H -12.476 -8.682 3.625 . . . 1.0 . . . . . . . . . . . . A . 67 GLU HG2 . . . . . . . . . rr_1nct 1 . 1 . 1040 . 1 1 82 GLU HG3 H -13.546 -8.333 2.271 . . . 1.0 . . . . . . . . . . . . A . 67 GLU HG3 . . . . . . . . . rr_1nct 1 . 1 . 1041 . 1 1 82 GLU N N -12.231 -6.619 -0.044 . . . 1.0 . . . . . . . . . . . . A . 67 GLU N . . . . . . . . . rr_1nct 1 . 1 . 1042 . 1 1 82 GLU O O -11.569 -4.172 0.957 . . . 1.0 . . . . . . . . . . . . A . 67 GLU O . . . . . . . . . rr_1nct 1 . 1 . 1043 . 1 1 82 GLU OE1 O -12.465 -10.082 0.730 . . . 1.0 . . . . . . . . . . . . A . 67 GLU OE1 . . . . . . . . . rr_1nct 1 . 1 . 1044 . 1 1 82 GLU OE2 O -11.476 -10.690 2.545 . . . 1.0 . . . . . . . . . . . . A . 67 GLU OE2 . . . . . . . . . rr_1nct 1 . 1 . 1045 . 1 1 83 GLY C C -9.725 -3.565 3.970 . . . 1.0 . . . . . . . . . . . . A . 68 GLY C . . . . . . . . . rr_1nct 1 . 1 . 1046 . 1 1 83 GLY CA C -11.179 -3.455 3.515 . . . 1.0 . . . . . . . . . . . . A . 68 GLY CA . . . . . . . . . rr_1nct 1 . 1 . 1047 . 1 1 83 GLY H H -11.945 -5.454 3.721 . . . 1.0 . . . . . . . . . . . . A . 68 GLY H . . . . . . . . . rr_1nct 1 . 1 . 1048 . 1 1 83 GLY HA2 H -11.235 -2.767 2.700 . . . 1.0 . . . . . . . . . . . . A . 68 GLY HA2 . . . . . . . . . rr_1nct 1 . 1 . 1049 . 1 1 83 GLY HA3 H -11.780 -3.091 4.334 . . . 1.0 . . . . . . . . . . . . A . 68 GLY HA3 . . . . . . . . . rr_1nct 1 . 1 . 1050 . 1 1 83 GLY N N -11.700 -4.769 3.066 . . . 1.0 . . . . . . . . . . . . A . 68 GLY N . . . . . . . . . rr_1nct 1 . 1 . 1051 . 1 1 83 GLY O O -8.813 -3.255 3.231 . . . 1.0 . . . . . . . . . . . . A . 68 GLY O . . . . . . . . . rr_1nct 1 . 1 . 1052 . 1 1 84 ASN C C -7.060 -4.413 4.743 . . . 1.0 . . . . . . . . . . . . A . 69 ASN C . . . . . . . . . rr_1nct 1 . 1 . 1053 . 1 1 84 ASN CA C -8.146 -4.092 5.780 . . . 1.0 . . . . . . . . . . . . A . 69 ASN CA . . . . . . . . . rr_1nct 1 . 1 . 1054 . 1 1 84 ASN CB C -8.259 -5.220 6.782 . . . 1.0 . . . . . . . . . . . . A . 69 ASN CB . . . . . . . . . rr_1nct 1 . 1 . 1055 . 1 1 84 ASN CG C -8.810 -4.683 8.104 . . . 1.0 . . . . . . . . . . . . A . 69 ASN CG . . . . . . . . . rr_1nct 1 . 1 . 1056 . 1 1 84 ASN H H -10.297 -4.187 5.754 . . . 1.0 . . . . . . . . . . . . A . 69 ASN H . . . . . . . . . rr_1nct 1 . 1 . 1057 . 1 1 84 ASN HA H -7.894 -3.191 6.304 . . . 1.0 . . . . . . . . . . . . A . 69 ASN HA . . . . . . . . . rr_1nct 1 . 1 . 1058 . 1 1 84 ASN HB2 H -8.923 -5.955 6.387 . . . 1.0 . . . . . . . . . . . . A . 69 ASN HB2 . . . . . . . . . rr_1nct 1 . 1 . 1059 . 1 1 84 ASN HB3 H -7.288 -5.657 6.947 . . . 1.0 . . . . . . . . . . . . A . 69 ASN HB3 . . . . . . . . . rr_1nct 1 . 1 . 1060 . 1 1 84 ASN HD21 H -7.935 -6.087 9.202 . . . 1.0 . . . . . . . . . . . . A . 69 ASN HD21 . . . . . . . . . rr_1nct 1 . 1 . 1061 . 1 1 84 ASN HD22 H -8.857 -4.956 10.070 . . . 1.0 . . . . . . . . . . . . A . 69 ASN HD22 . . . . . . . . . rr_1nct 1 . 1 . 1062 . 1 1 84 ASN N N -9.523 -3.974 5.194 . . . 1.0 . . . . . . . . . . . . A . 69 ASN N . . . . . . . . . rr_1nct 1 . 1 . 1063 . 1 1 84 ASN ND2 N -8.509 -5.293 9.218 . . . 1.0 . . . . . . . . . . . . A . 69 ASN ND2 . . . . . . . . . rr_1nct 1 . 1 . 1064 . 1 1 84 ASN O O -7.002 -5.488 4.179 . . . 1.0 . . . . . . . . . . . . A . 69 ASN O . . . . . . . . . rr_1nct 1 . 1 . 1065 . 1 1 84 ASN OD1 O -9.522 -3.699 8.124 . . . 1.0 . . . . . . . . . . . . A . 69 ASN OD1 . . . . . . . . . rr_1nct 1 . 1 . 1066 . 1 1 85 TYR C C -3.786 -3.081 4.232 . . . 1.0 . . . . . . . . . . . . A . 70 TYR C . . . . . . . . . rr_1nct 1 . 1 . 1067 . 1 1 85 TYR CA C -5.057 -3.634 3.572 . . . 1.0 . . . . . . . . . . . . A . 70 TYR CA . . . . . . . . . rr_1nct 1 . 1 . 1068 . 1 1 85 TYR CB C -5.430 -2.787 2.356 . . . 1.0 . . . . . . . . . . . . A . 70 TYR CB . . . . . . . . . rr_1nct 1 . 1 . 1069 . 1 1 85 TYR CD1 C -5.626 -4.878 0.969 . . . 1.0 . . . . . . . . . . . . A . 70 TYR CD1 . . . . . . . . . rr_1nct 1 . 1 . 1070 . 1 1 85 TYR CD2 C -7.355 -3.191 0.789 . . . 1.0 . . . . . . . . . . . . A . 70 TYR CD2 . . . . . . . . . rr_1nct 1 . 1 . 1071 . 1 1 85 TYR CE1 C -6.300 -5.670 0.032 . . . 1.0 . . . . . . . . . . . . A . 70 TYR CE1 . . . . . . . . . rr_1nct 1 . 1 . 1072 . 1 1 85 TYR CE2 C -8.030 -3.981 -0.148 . . . 1.0 . . . . . . . . . . . . A . 70 TYR CE2 . . . . . . . . . rr_1nct 1 . 1 . 1073 . 1 1 85 TYR CG C -6.155 -3.640 1.347 . . . 1.0 . . . . . . . . . . . . A . 70 TYR CG . . . . . . . . . rr_1nct 1 . 1 . 1074 . 1 1 85 TYR CZ C -7.501 -5.221 -0.526 . . . 1.0 . . . . . . . . . . . . A . 70 TYR CZ . . . . . . . . . rr_1nct 1 . 1 . 1075 . 1 1 85 TYR H H -6.284 -2.634 5.016 . . . 1.0 . . . . . . . . . . . . A . 70 TYR H . . . . . . . . . rr_1nct 1 . 1 . 1076 . 1 1 85 TYR HA H -4.935 -4.664 3.294 . . . 1.0 . . . . . . . . . . . . A . 70 TYR HA . . . . . . . . . rr_1nct 1 . 1 . 1077 . 1 1 85 TYR HB2 H -6.072 -1.975 2.667 . . . 1.0 . . . . . . . . . . . . A . 70 TYR HB2 . . . . . . . . . rr_1nct 1 . 1 . 1078 . 1 1 85 TYR HB3 H -4.533 -2.385 1.908 . . . 1.0 . . . . . . . . . . . . A . 70 TYR HB3 . . . . . . . . . rr_1nct 1 . 1 . 1079 . 1 1 85 TYR HD1 H -4.696 -5.223 1.400 . . . 1.0 . . . . . . . . . . . . A . 70 TYR HD1 . . . . . . . . . rr_1nct 1 . 1 . 1080 . 1 1 85 TYR HD2 H -7.759 -2.235 1.083 . . . 1.0 . . . . . . . . . . . . A . 70 TYR HD2 . . . . . . . . . rr_1nct 1 . 1 . 1081 . 1 1 85 TYR HE1 H -5.893 -6.626 -0.262 . . . 1.0 . . . . . . . . . . . . A . 70 TYR HE1 . . . . . . . . . rr_1nct 1 . 1 . 1082 . 1 1 85 TYR HE2 H -8.958 -3.635 -0.582 . . . 1.0 . . . . . . . . . . . . A . 70 TYR HE2 . . . . . . . . . rr_1nct 1 . 1 . 1083 . 1 1 85 TYR HH H -8.693 -5.420 -1.995 . . . 1.0 . . . . . . . . . . . . A . 70 TYR HH . . . . . . . . . rr_1nct 1 . 1 . 1084 . 1 1 85 TYR N N -6.193 -3.468 4.527 . . . 1.0 . . . . . . . . . . . . A . 70 TYR N . . . . . . . . . rr_1nct 1 . 1 . 1085 . 1 1 85 TYR O O -3.871 -2.238 5.101 . . . 1.0 . . . . . . . . . . . . A . 70 TYR O . . . . . . . . . rr_1nct 1 . 1 . 1086 . 1 1 85 TYR OH O -8.164 -6.001 -1.448 . . . 1.0 . . . . . . . . . . . . A . 70 TYR OH . . . . . . . . . rr_1nct 1 . 1 . 1087 . 1 1 86 SER C C -0.205 -2.858 3.557 . . . 1.0 . . . . . . . . . . . . A . 71 SER C . . . . . . . . . rr_1nct 1 . 1 . 1088 . 1 1 86 SER CA C -1.388 -2.977 4.526 . . . 1.0 . . . . . . . . . . . . A . 71 SER CA . . . . . . . . . rr_1nct 1 . 1 . 1089 . 1 1 86 SER CB C -1.045 -3.942 5.660 . . . 1.0 . . . . . . . . . . . . A . 71 SER CB . . . . . . . . . rr_1nct 1 . 1 . 1090 . 1 1 86 SER H H -2.534 -4.223 3.163 . . . 1.0 . . . . . . . . . . . . A . 71 SER H . . . . . . . . . rr_1nct 1 . 1 . 1091 . 1 1 86 SER HA H -1.614 -2.015 4.940 . . . 1.0 . . . . . . . . . . . . A . 71 SER HA . . . . . . . . . rr_1nct 1 . 1 . 1092 . 1 1 86 SER HB2 H -0.119 -4.431 5.437 . . . 1.0 . . . . . . . . . . . . A . 71 SER HB2 . . . . . . . . . rr_1nct 1 . 1 . 1093 . 1 1 86 SER HB3 H -0.936 -3.384 6.580 . . . 1.0 . . . . . . . . . . . . A . 71 SER HB3 . . . . . . . . . rr_1nct 1 . 1 . 1094 . 1 1 86 SER HG H -1.651 -5.779 5.887 . . . 1.0 . . . . . . . . . . . . A . 71 SER HG . . . . . . . . . rr_1nct 1 . 1 . 1095 . 1 1 86 SER N N -2.611 -3.532 3.858 . . . 1.0 . . . . . . . . . . . . A . 71 SER N . . . . . . . . . rr_1nct 1 . 1 . 1096 . 1 1 86 SER O O -0.354 -2.973 2.359 . . . 1.0 . . . . . . . . . . . . A . 71 SER O . . . . . . . . . rr_1nct 1 . 1 . 1097 . 1 1 86 SER OG O -2.070 -4.919 5.803 . . . 1.0 . . . . . . . . . . . . A . 71 SER OG . . . . . . . . . rr_1nct 1 . 1 . 1098 . 1 1 87 VAL C C 3.469 -2.823 3.967 . . . 1.0 . . . . . . . . . . . . A . 72 VAL C . . . . . . . . . rr_1nct 1 . 1 . 1099 . 1 1 87 VAL CA C 2.185 -2.464 3.205 . . . 1.0 . . . . . . . . . . . . A . 72 VAL CA . . . . . . . . . rr_1nct 1 . 1 . 1100 . 1 1 87 VAL CB C 2.212 -0.984 2.803 . . . 1.0 . . . . . . . . . . . . A . 72 VAL CB . . . . . . . . . rr_1nct 1 . 1 . 1101 . 1 1 87 VAL CG1 C 2.186 -0.116 4.055 . . . 1.0 . . . . . . . . . . . . A . 72 VAL CG1 . . . . . . . . . rr_1nct 1 . 1 . 1102 . 1 1 87 VAL CG2 C 3.492 -0.668 2.014 . . . 1.0 . . . . . . . . . . . . A . 72 VAL CG2 . . . . . . . . . rr_1nct 1 . 1 . 1103 . 1 1 87 VAL H H 1.053 -2.508 5.058 . . . 1.0 . . . . . . . . . . . . A . 72 VAL H . . . . . . . . . rr_1nct 1 . 1 . 1104 . 1 1 87 VAL HA H 2.088 -3.079 2.329 . . . 1.0 . . . . . . . . . . . . A . 72 VAL HA . . . . . . . . . rr_1nct 1 . 1 . 1105 . 1 1 87 VAL HB H 1.349 -0.763 2.196 . . . 1.0 . . . . . . . . . . . . A . 72 VAL HB . . . . . . . . . rr_1nct 1 . 1 . 1106 . 1 1 87 VAL HG11 H 1.498 -0.536 4.772 . . . 1.0 . . . . . . . . . . . . A . 72 VAL HG11 . . . . . . . . . rr_1nct 1 . 1 . 1107 . 1 1 87 VAL HG12 H 3.176 -0.080 4.483 . . . 1.0 . . . . . . . . . . . . A . 72 VAL HG12 . . . . . . . . . rr_1nct 1 . 1 . 1108 . 1 1 87 VAL HG13 H 1.869 0.880 3.791 . . . 1.0 . . . . . . . . . . . . A . 72 VAL HG13 . . . . . . . . . rr_1nct 1 . 1 . 1109 . 1 1 87 VAL HG21 H 4.035 -1.581 1.820 . . . 1.0 . . . . . . . . . . . . A . 72 VAL HG21 . . . . . . . . . rr_1nct 1 . 1 . 1110 . 1 1 87 VAL HG22 H 3.234 -0.197 1.076 . . . 1.0 . . . . . . . . . . . . A . 72 VAL HG22 . . . . . . . . . rr_1nct 1 . 1 . 1111 . 1 1 87 VAL HG23 H 4.116 0.004 2.589 . . . 1.0 . . . . . . . . . . . . A . 72 VAL HG23 . . . . . . . . . rr_1nct 1 . 1 . 1112 . 1 1 87 VAL N N 0.972 -2.610 4.083 . . . 1.0 . . . . . . . . . . . . A . 72 VAL N . . . . . . . . . rr_1nct 1 . 1 . 1113 . 1 1 87 VAL O O 3.910 -2.100 4.832 . . . 1.0 . . . . . . . . . . . . A . 72 VAL O . . . . . . . . . rr_1nct 1 . 1 . 1114 . 1 1 88 VAL C C 6.548 -3.661 3.618 . . . 1.0 . . . . . . . . . . . . A . 73 VAL C . . . . . . . . . rr_1nct 1 . 1 . 1115 . 1 1 88 VAL CA C 5.351 -4.303 4.324 . . . 1.0 . . . . . . . . . . . . A . 73 VAL CA . . . . . . . . . rr_1nct 1 . 1 . 1116 . 1 1 88 VAL CB C 5.428 -5.832 4.250 . . . 1.0 . . . . . . . . . . . . A . 73 VAL CB . . . . . . . . . rr_1nct 1 . 1 . 1117 . 1 1 88 VAL CG1 C 4.192 -6.439 4.914 . . . 1.0 . . . . . . . . . . . . A . 73 VAL CG1 . . . . . . . . . rr_1nct 1 . 1 . 1118 . 1 1 88 VAL CG2 C 5.499 -6.295 2.797 . . . 1.0 . . . . . . . . . . . . A . 73 VAL CG2 . . . . . . . . . rr_1nct 1 . 1 . 1119 . 1 1 88 VAL H H 3.731 -4.476 2.917 . . . 1.0 . . . . . . . . . . . . A . 73 VAL H . . . . . . . . . rr_1nct 1 . 1 . 1120 . 1 1 88 VAL HA H 5.316 -3.988 5.356 . . . 1.0 . . . . . . . . . . . . A . 73 VAL HA . . . . . . . . . rr_1nct 1 . 1 . 1121 . 1 1 88 VAL HB H 6.312 -6.165 4.765 . . . 1.0 . . . . . . . . . . . . A . 73 VAL HB . . . . . . . . . rr_1nct 1 . 1 . 1122 . 1 1 88 VAL HG11 H 3.345 -5.787 4.760 . . . 1.0 . . . . . . . . . . . . A . 73 VAL HG11 . . . . . . . . . rr_1nct 1 . 1 . 1123 . 1 1 88 VAL HG12 H 3.987 -7.405 4.479 . . . 1.0 . . . . . . . . . . . . A . 73 VAL HG12 . . . . . . . . . rr_1nct 1 . 1 . 1124 . 1 1 88 VAL HG13 H 4.371 -6.551 5.973 . . . 1.0 . . . . . . . . . . . . A . 73 VAL HG13 . . . . . . . . . rr_1nct 1 . 1 . 1125 . 1 1 88 VAL HG21 H 4.993 -5.586 2.169 . . . 1.0 . . . . . . . . . . . . A . 73 VAL HG21 . . . . . . . . . rr_1nct 1 . 1 . 1126 . 1 1 88 VAL HG22 H 6.533 -6.370 2.494 . . . 1.0 . . . . . . . . . . . . A . 73 VAL HG22 . . . . . . . . . rr_1nct 1 . 1 . 1127 . 1 1 88 VAL HG23 H 5.027 -7.261 2.705 . . . 1.0 . . . . . . . . . . . . A . 73 VAL HG23 . . . . . . . . . rr_1nct 1 . 1 . 1128 . 1 1 88 VAL N N 4.086 -3.920 3.631 . . . 1.0 . . . . . . . . . . . . A . 73 VAL N . . . . . . . . . rr_1nct 1 . 1 . 1129 . 1 1 88 VAL O O 7.205 -4.269 2.798 . . . 1.0 . . . . . . . . . . . . A . 73 VAL O . . . . . . . . . rr_1nct 1 . 1 . 1130 . 1 1 89 VAL C C 9.289 -2.143 3.981 . . . 1.0 . . . . . . . . . . . . A . 74 VAL C . . . . . . . . . rr_1nct 1 . 1 . 1131 . 1 1 89 VAL CA C 7.983 -1.742 3.284 . . . 1.0 . . . . . . . . . . . . A . 74 VAL CA . . . . . . . . . rr_1nct 1 . 1 . 1132 . 1 1 89 VAL CB C 7.681 -0.248 3.457 . . . 1.0 . . . . . . . . . . . . A . 74 VAL CB . . . . . . . . . rr_1nct 1 . 1 . 1133 . 1 1 89 VAL CG1 C 8.952 0.592 3.260 . . . 1.0 . . . . . . . . . . . . A . 74 VAL CG1 . . . . . . . . . rr_1nct 1 . 1 . 1134 . 1 1 89 VAL CG2 C 6.641 0.172 2.422 . . . 1.0 . . . . . . . . . . . . A . 74 VAL CG2 . . . . . . . . . rr_1nct 1 . 1 . 1135 . 1 1 89 VAL H H 6.289 -1.955 4.595 . . . 1.0 . . . . . . . . . . . . A . 74 VAL H . . . . . . . . . rr_1nct 1 . 1 . 1136 . 1 1 89 VAL HA H 8.024 -1.988 2.237 . . . 1.0 . . . . . . . . . . . . A . 74 VAL HA . . . . . . . . . rr_1nct 1 . 1 . 1137 . 1 1 89 VAL HB H 7.282 -0.080 4.442 . . . 1.0 . . . . . . . . . . . . A . 74 VAL HB . . . . . . . . . rr_1nct 1 . 1 . 1138 . 1 1 89 VAL HG11 H 9.752 -0.037 2.900 . . . 1.0 . . . . . . . . . . . . A . 74 VAL HG11 . . . . . . . . . rr_1nct 1 . 1 . 1139 . 1 1 89 VAL HG12 H 8.760 1.372 2.540 . . . 1.0 . . . . . . . . . . . . A . 74 VAL HG12 . . . . . . . . . rr_1nct 1 . 1 . 1140 . 1 1 89 VAL HG13 H 9.240 1.036 4.203 . . . 1.0 . . . . . . . . . . . . A . 74 VAL HG13 . . . . . . . . . rr_1nct 1 . 1 . 1141 . 1 1 89 VAL HG21 H 6.088 -0.696 2.095 . . . 1.0 . . . . . . . . . . . . A . 74 VAL HG21 . . . . . . . . . rr_1nct 1 . 1 . 1142 . 1 1 89 VAL HG22 H 5.961 0.886 2.865 . . . 1.0 . . . . . . . . . . . . A . 74 VAL HG22 . . . . . . . . . rr_1nct 1 . 1 . 1143 . 1 1 89 VAL HG23 H 7.136 0.624 1.576 . . . 1.0 . . . . . . . . . . . . A . 74 VAL HG23 . . . . . . . . . rr_1nct 1 . 1 . 1144 . 1 1 89 VAL N N 6.833 -2.429 3.932 . . . 1.0 . . . . . . . . . . . . A . 74 VAL N . . . . . . . . . rr_1nct 1 . 1 . 1145 . 1 1 89 VAL O O 9.444 -1.983 5.173 . . . 1.0 . . . . . . . . . . . . A . 74 VAL O . . . . . . . . . rr_1nct 1 . 1 . 1146 . 1 1 90 GLU C C 12.663 -2.749 2.867 . . . 1.0 . . . . . . . . . . . . A . 75 GLU C . . . . . . . . . rr_1nct 1 . 1 . 1147 . 1 1 90 GLU CA C 11.530 -3.055 3.846 . . . 1.0 . . . . . . . . . . . . A . 75 GLU CA . . . . . . . . . rr_1nct 1 . 1 . 1148 . 1 1 90 GLU CB C 11.408 -4.560 4.090 . . . 1.0 . . . . . . . . . . . . A . 75 GLU CB . . . . . . . . . rr_1nct 1 . 1 . 1149 . 1 1 90 GLU CD C 9.551 -5.563 2.756 . . . 1.0 . . . . . . . . . . . . A . 75 GLU CD . . . . . . . . . rr_1nct 1 . 1 . 1150 . 1 1 90 GLU CG C 11.051 -5.267 2.784 . . . 1.0 . . . . . . . . . . . . A . 75 GLU CG . . . . . . . . . rr_1nct 1 . 1 . 1151 . 1 1 90 GLU H H 10.088 -2.762 2.274 . . . 1.0 . . . . . . . . . . . . A . 75 GLU H . . . . . . . . . rr_1nct 1 . 1 . 1152 . 1 1 90 GLU HA H 11.687 -2.539 4.780 . . . 1.0 . . . . . . . . . . . . A . 75 GLU HA . . . . . . . . . rr_1nct 1 . 1 . 1153 . 1 1 90 GLU HB2 H 12.347 -4.942 4.460 . . . 1.0 . . . . . . . . . . . . A . 75 GLU HB2 . . . . . . . . . rr_1nct 1 . 1 . 1154 . 1 1 90 GLU HB3 H 10.632 -4.744 4.819 . . . 1.0 . . . . . . . . . . . . A . 75 GLU HB3 . . . . . . . . . rr_1nct 1 . 1 . 1155 . 1 1 90 GLU HG2 H 11.311 -4.631 1.951 . . . 1.0 . . . . . . . . . . . . A . 75 GLU HG2 . . . . . . . . . rr_1nct 1 . 1 . 1156 . 1 1 90 GLU HG3 H 11.600 -6.194 2.718 . . . 1.0 . . . . . . . . . . . . A . 75 GLU HG3 . . . . . . . . . rr_1nct 1 . 1 . 1157 . 1 1 90 GLU N N 10.231 -2.652 3.238 . . . 1.0 . . . . . . . . . . . . A . 75 GLU N . . . . . . . . . rr_1nct 1 . 1 . 1158 . 1 1 90 GLU O O 12.493 -1.983 1.941 . . . 1.0 . . . . . . . . . . . . A . 75 GLU O . . . . . . . . . rr_1nct 1 . 1 . 1159 . 1 1 90 GLU OE1 O 9.004 -5.850 3.809 . . . 1.0 . . . . . . . . . . . . A . 75 GLU OE1 . . . . . . . . . rr_1nct 1 . 1 . 1160 . 1 1 90 GLU OE2 O 8.974 -5.499 1.683 . . . 1.0 . . . . . . . . . . . . A . 75 GLU OE2 . . . . . . . . . rr_1nct 1 . 1 . 1161 . 1 1 91 ASN C C 16.107 -3.994 2.348 . . . 1.0 . . . . . . . . . . . . A . 76 ASN C . . . . . . . . . rr_1nct 1 . 1 . 1162 . 1 1 91 ASN CA C 14.936 -3.040 2.110 . . . 1.0 . . . . . . . . . . . . A . 76 ASN CA . . . . . . . . . rr_1nct 1 . 1 . 1163 . 1 1 91 ASN CB C 15.280 -1.551 2.376 . . . 1.0 . . . . . . . . . . . . A . 76 ASN CB . . . . . . . . . rr_1nct 1 . 1 . 1164 . 1 1 91 ASN CG C 16.747 -1.301 2.762 . . . 1.0 . . . . . . . . . . . . A . 76 ASN CG . . . . . . . . . rr_1nct 1 . 1 . 1165 . 1 1 91 ASN H H 13.948 -3.944 3.805 . . . 1.0 . . . . . . . . . . . . A . 76 ASN H . . . . . . . . . rr_1nct 1 . 1 . 1166 . 1 1 91 ASN HA H 14.586 -3.147 1.095 . . . 1.0 . . . . . . . . . . . . A . 76 ASN HA . . . . . . . . . rr_1nct 1 . 1 . 1167 . 1 1 91 ASN HB2 H 15.059 -0.984 1.492 . . . 1.0 . . . . . . . . . . . . A . 76 ASN HB2 . . . . . . . . . rr_1nct 1 . 1 . 1168 . 1 1 91 ASN HB3 H 14.664 -1.207 3.169 . . . 1.0 . . . . . . . . . . . . A . 76 ASN HB3 . . . . . . . . . rr_1nct 1 . 1 . 1169 . 1 1 91 ASN HD21 H 17.233 -0.553 0.989 . . . 1.0 . . . . . . . . . . . . A . 76 ASN HD21 . . . . . . . . . rr_1nct 1 . 1 . 1170 . 1 1 91 ASN HD22 H 18.493 -0.618 2.123 . . . 1.0 . . . . . . . . . . . . A . 76 ASN HD22 . . . . . . . . . rr_1nct 1 . 1 . 1171 . 1 1 91 ASN N N 13.818 -3.329 3.053 . . . 1.0 . . . . . . . . . . . . A . 76 ASN N . . . . . . . . . rr_1nct 1 . 1 . 1172 . 1 1 91 ASN ND2 N 17.559 -0.781 1.885 . . . 1.0 . . . . . . . . . . . . A . 76 ASN ND2 . . . . . . . . . rr_1nct 1 . 1 . 1173 . 1 1 91 ASN O O 16.005 -4.959 3.079 . . . 1.0 . . . . . . . . . . . . A . 76 ASN O . . . . . . . . . rr_1nct 1 . 1 . 1174 . 1 1 91 ASN OD1 O 17.150 -1.583 3.867 . . . 1.0 . . . . . . . . . . . . A . 76 ASN OD1 . . . . . . . . . rr_1nct 1 . 1 . 1175 . 1 1 92 SER C C 18.619 -5.135 3.235 . . . 1.0 . . . . . . . . . . . . A . 77 SER C . . . . . . . . . rr_1nct 1 . 1 . 1176 . 1 1 92 SER CA C 18.440 -4.552 1.828 . . . 1.0 . . . . . . . . . . . . A . 77 SER CA . . . . . . . . . rr_1nct 1 . 1 . 1177 . 1 1 92 SER CB C 19.588 -3.596 1.506 . . . 1.0 . . . . . . . . . . . . A . 77 SER CB . . . . . . . . . rr_1nct 1 . 1 . 1178 . 1 1 92 SER H H 17.208 -2.913 1.130 . . . 1.0 . . . . . . . . . . . . A . 77 SER H . . . . . . . . . rr_1nct 1 . 1 . 1179 . 1 1 92 SER HA H 18.417 -5.342 1.106 . . . 1.0 . . . . . . . . . . . . A . 77 SER HA . . . . . . . . . rr_1nct 1 . 1 . 1180 . 1 1 92 SER HB2 H 20.528 -4.112 1.606 . . . 1.0 . . . . . . . . . . . . A . 77 SER HB2 . . . . . . . . . rr_1nct 1 . 1 . 1181 . 1 1 92 SER HB3 H 19.482 -3.238 0.491 . . . 1.0 . . . . . . . . . . . . A . 77 SER HB3 . . . . . . . . . rr_1nct 1 . 1 . 1182 . 1 1 92 SER HG H 20.453 -2.183 2.528 . . . 1.0 . . . . . . . . . . . . A . 77 SER HG . . . . . . . . . rr_1nct 1 . 1 . 1183 . 1 1 92 SER N N 17.203 -3.709 1.709 . . . 1.0 . . . . . . . . . . . . A . 77 SER N . . . . . . . . . rr_1nct 1 . 1 . 1184 . 1 1 92 SER O O 19.169 -6.203 3.407 . . . 1.0 . . . . . . . . . . . . A . 77 SER O . . . . . . . . . rr_1nct 1 . 1 . 1185 . 1 1 92 SER OG O 19.555 -2.502 2.416 . . . 1.0 . . . . . . . . . . . . A . 77 SER OG . . . . . . . . . rr_1nct 1 . 1 . 1186 . 1 1 93 GLU C C 17.203 -4.489 6.565 . . . 1.0 . . . . . . . . . . . . A . 78 GLU C . . . . . . . . . rr_1nct 1 . 1 . 1187 . 1 1 93 GLU CA C 18.328 -4.966 5.630 . . . 1.0 . . . . . . . . . . . . A . 78 GLU CA . . . . . . . . . rr_1nct 1 . 1 . 1188 . 1 1 93 GLU CB C 19.679 -4.431 6.109 . . . 1.0 . . . . . . . . . . . . A . 78 GLU CB . . . . . . . . . rr_1nct 1 . 1 . 1189 . 1 1 93 GLU CD C 21.081 -2.518 5.335 . . . 1.0 . . . . . . . . . . . . A . 78 GLU CD . . . . . . . . . rr_1nct 1 . 1 . 1190 . 1 1 93 GLU CG C 19.733 -2.911 5.943 . . . 1.0 . . . . . . . . . . . . A . 78 GLU CG . . . . . . . . . rr_1nct 1 . 1 . 1191 . 1 1 93 GLU H H 17.740 -3.586 4.071 . . . 1.0 . . . . . . . . . . . . A . 78 GLU H . . . . . . . . . rr_1nct 1 . 1 . 1192 . 1 1 93 GLU HA H 18.357 -6.043 5.615 . . . 1.0 . . . . . . . . . . . . A . 78 GLU HA . . . . . . . . . rr_1nct 1 . 1 . 1193 . 1 1 93 GLU HB2 H 19.814 -4.682 7.151 . . . 1.0 . . . . . . . . . . . . A . 78 GLU HB2 . . . . . . . . . rr_1nct 1 . 1 . 1194 . 1 1 93 GLU HB3 H 20.469 -4.882 5.528 . . . 1.0 . . . . . . . . . . . . A . 78 GLU HB3 . . . . . . . . . rr_1nct 1 . 1 . 1195 . 1 1 93 GLU HG2 H 18.934 -2.588 5.292 . . . 1.0 . . . . . . . . . . . . A . 78 GLU HG2 . . . . . . . . . rr_1nct 1 . 1 . 1196 . 1 1 93 GLU HG3 H 19.626 -2.439 6.908 . . . 1.0 . . . . . . . . . . . . A . 78 GLU HG3 . . . . . . . . . rr_1nct 1 . 1 . 1197 . 1 1 93 GLU N N 18.170 -4.442 4.236 . . . 1.0 . . . . . . . . . . . . A . 78 GLU N . . . . . . . . . rr_1nct 1 . 1 . 1198 . 1 1 93 GLU O O 17.063 -4.986 7.665 . . . 1.0 . . . . . . . . . . . . A . 78 GLU O . . . . . . . . . rr_1nct 1 . 1 . 1199 . 1 1 93 GLU OE1 O 21.415 -3.052 4.290 . . . 1.0 . . . . . . . . . . . . A . 78 GLU OE1 . . . . . . . . . rr_1nct 1 . 1 . 1200 . 1 1 93 GLU OE2 O 21.757 -1.692 5.925 . . . 1.0 . . . . . . . . . . . . A . 78 GLU OE2 . . . . . . . . . rr_1nct 1 . 1 . 1201 . 1 1 94 GLY C C 14.066 -3.925 6.828 . . . 1.0 . . . . . . . . . . . . A . 79 GLY C . . . . . . . . . rr_1nct 1 . 1 . 1202 . 1 1 94 GLY CA C 15.310 -3.065 7.051 . . . 1.0 . . . . . . . . . . . . A . 79 GLY CA . . . . . . . . . rr_1nct 1 . 1 . 1203 . 1 1 94 GLY H H 16.514 -3.141 5.278 . . . 1.0 . . . . . . . . . . . . A . 79 GLY H . . . . . . . . . rr_1nct 1 . 1 . 1204 . 1 1 94 GLY HA2 H 15.627 -3.146 8.081 . . . 1.0 . . . . . . . . . . . . A . 79 GLY HA2 . . . . . . . . . rr_1nct 1 . 1 . 1205 . 1 1 94 GLY HA3 H 15.079 -2.036 6.825 . . . 1.0 . . . . . . . . . . . . A . 79 GLY HA3 . . . . . . . . . rr_1nct 1 . 1 . 1206 . 1 1 94 GLY N N 16.402 -3.540 6.158 . . . 1.0 . . . . . . . . . . . . A . 79 GLY N . . . . . . . . . rr_1nct 1 . 1 . 1207 . 1 1 94 GLY O O 13.978 -4.667 5.871 . . . 1.0 . . . . . . . . . . . . A . 79 GLY O . . . . . . . . . rr_1nct 1 . 1 . 1208 . 1 1 95 LYS C C 10.705 -4.012 8.318 . . . 1.0 . . . . . . . . . . . . A . 80 LYS C . . . . . . . . . rr_1nct 1 . 1 . 1209 . 1 1 95 LYS CA C 11.864 -4.646 7.541 . . . 1.0 . . . . . . . . . . . . A . 80 LYS CA . . . . . . . . . rr_1nct 1 . 1 . 1210 . 1 1 95 LYS CB C 12.214 -6.015 8.125 . . . 1.0 . . . . . . . . . . . . A . 80 LYS CB . . . . . . . . . rr_1nct 1 . 1 . 1211 . 1 1 95 LYS CD C 10.051 -7.118 7.531 . . . 1.0 . . . . . . . . . . . . A . 80 LYS CD . . . . . . . . . rr_1nct 1 . 1 . 1212 . 1 1 95 LYS CE C 9.658 -8.400 8.268 . . . 1.0 . . . . . . . . . . . . A . 80 LYS CE . . . . . . . . . rr_1nct 1 . 1 . 1213 . 1 1 95 LYS CG C 11.561 -7.112 7.282 . . . 1.0 . . . . . . . . . . . . A . 80 LYS CG . . . . . . . . . rr_1nct 1 . 1 . 1214 . 1 1 95 LYS H H 13.198 -3.226 8.466 . . . 1.0 . . . . . . . . . . . . A . 80 LYS H . . . . . . . . . rr_1nct 1 . 1 . 1215 . 1 1 95 LYS HA H 11.611 -4.745 6.496 . . . 1.0 . . . . . . . . . . . . A . 80 LYS HA . . . . . . . . . rr_1nct 1 . 1 . 1216 . 1 1 95 LYS HB2 H 13.286 -6.146 8.119 . . . 1.0 . . . . . . . . . . . . A . 80 LYS HB2 . . . . . . . . . rr_1nct 1 . 1 . 1217 . 1 1 95 LYS HB3 H 11.848 -6.078 9.139 . . . 1.0 . . . . . . . . . . . . A . 80 LYS HB3 . . . . . . . . . rr_1nct 1 . 1 . 1218 . 1 1 95 LYS HD2 H 9.782 -6.260 8.130 . . . 1.0 . . . . . . . . . . . . A . 80 LYS HD2 . . . . . . . . . rr_1nct 1 . 1 . 1219 . 1 1 95 LYS HD3 H 9.530 -7.074 6.586 . . . 1.0 . . . . . . . . . . . . A . 80 LYS HD3 . . . . . . . . . rr_1nct 1 . 1 . 1220 . 1 1 95 LYS HE2 H 9.972 -9.268 7.703 . . . 1.0 . . . . . . . . . . . . A . 80 LYS HE2 . . . . . . . . . rr_1nct 1 . 1 . 1221 . 1 1 95 LYS HE3 H 10.092 -8.415 9.256 . . . 1.0 . . . . . . . . . . . . A . 80 LYS HE3 . . . . . . . . . rr_1nct 1 . 1 . 1222 . 1 1 95 LYS HG2 H 11.753 -6.924 6.236 . . . 1.0 . . . . . . . . . . . . A . 80 LYS HG2 . . . . . . . . . rr_1nct 1 . 1 . 1223 . 1 1 95 LYS HG3 H 11.972 -8.072 7.558 . . . 1.0 . . . . . . . . . . . . A . 80 LYS HG3 . . . . . . . . . rr_1nct 1 . 1 . 1224 . 1 1 95 LYS HZ1 H 7.781 -7.998 7.464 . . . 1.0 . . . . . . . . . . . . A . 80 LYS HZ1 . . . . . . . . . rr_1nct 1 . 1 . 1225 . 1 1 95 LYS HZ2 H 7.804 -9.301 8.555 . . . 1.0 . . . . . . . . . . . . A . 80 LYS HZ2 . . . . . . . . . rr_1nct 1 . 1 . 1226 . 1 1 95 LYS HZ3 H 7.896 -7.710 9.135 . . . 1.0 . . . . . . . . . . . . A . 80 LYS HZ3 . . . . . . . . . rr_1nct 1 . 1 . 1227 . 1 1 95 LYS N N 13.104 -3.831 7.703 . . . 1.0 . . . . . . . . . . . . A . 80 LYS N . . . . . . . . . rr_1nct 1 . 1 . 1228 . 1 1 95 LYS NZ N 8.173 -8.348 8.363 . . . 1.0 . . . . . . . . . . . . A . 80 LYS NZ . . . . . . . . . rr_1nct 1 . 1 . 1229 . 1 1 95 LYS O O 10.309 -4.491 9.362 . . . 1.0 . . . . . . . . . . . . A . 80 LYS O . . . . . . . . . rr_1nct 1 . 1 . 1230 . 1 1 96 GLN C C 7.738 -2.402 7.694 . . . 1.0 . . . . . . . . . . . . A . 81 GLN C . . . . . . . . . rr_1nct 1 . 1 . 1231 . 1 1 96 GLN CA C 9.024 -2.272 8.520 . . . 1.0 . . . . . . . . . . . . A . 81 GLN CA . . . . . . . . . rr_1nct 1 . 1 . 1232 . 1 1 96 GLN CB C 9.445 -0.805 8.636 . . . 1.0 . . . . . . . . . . . . A . 81 GLN CB . . . . . . . . . rr_1nct 1 . 1 . 1233 . 1 1 96 GLN CD C 9.234 1.180 10.138 . . . 1.0 . . . . . . . . . . . . A . 81 GLN CD . . . . . . . . . rr_1nct 1 . 1 . 1234 . 1 1 96 GLN CG C 8.539 -0.086 9.637 . . . 1.0 . . . . . . . . . . . . A . 81 GLN CG . . . . . . . . . rr_1nct 1 . 1 . 1235 . 1 1 96 GLN H H 10.492 -2.571 6.972 . . . 1.0 . . . . . . . . . . . . A . 81 GLN H . . . . . . . . . rr_1nct 1 . 1 . 1236 . 1 1 96 GLN HA H 8.887 -2.696 9.502 . . . 1.0 . . . . . . . . . . . . A . 81 GLN HA . . . . . . . . . rr_1nct 1 . 1 . 1237 . 1 1 96 GLN HB2 H 10.470 -0.751 8.973 . . . 1.0 . . . . . . . . . . . . A . 81 GLN HB2 . . . . . . . . . rr_1nct 1 . 1 . 1238 . 1 1 96 GLN HB3 H 9.359 -0.329 7.670 . . . 1.0 . . . . . . . . . . . . A . 81 GLN HB3 . . . . . . . . . rr_1nct 1 . 1 . 1239 . 1 1 96 GLN HE21 H 7.549 2.219 10.259 . . . 1.0 . . . . . . . . . . . . A . 81 GLN HE21 . . . . . . . . . rr_1nct 1 . 1 . 1240 . 1 1 96 GLN HE22 H 8.952 3.060 10.711 . . . 1.0 . . . . . . . . . . . . A . 81 GLN HE22 . . . . . . . . . rr_1nct 1 . 1 . 1241 . 1 1 96 GLN HG2 H 7.610 0.181 9.155 . . . 1.0 . . . . . . . . . . . . A . 81 GLN HG2 . . . . . . . . . rr_1nct 1 . 1 . 1242 . 1 1 96 GLN HG3 H 8.337 -0.737 10.474 . . . 1.0 . . . . . . . . . . . . A . 81 GLN HG3 . . . . . . . . . rr_1nct 1 . 1 . 1243 . 1 1 96 GLN N N 10.158 -2.939 7.815 . . . 1.0 . . . . . . . . . . . . A . 81 GLN N . . . . . . . . . rr_1nct 1 . 1 . 1244 . 1 1 96 GLN NE2 N 8.519 2.241 10.391 . . . 1.0 . . . . . . . . . . . . A . 81 GLN NE2 . . . . . . . . . rr_1nct 1 . 1 . 1245 . 1 1 96 GLN O O 7.744 -2.933 6.602 . . . 1.0 . . . . . . . . . . . . A . 81 GLN O . . . . . . . . . rr_1nct 1 . 1 . 1246 . 1 1 96 GLN OE1 O 10.438 1.204 10.301 . . . 1.0 . . . . . . . . . . . . A . 81 GLN OE1 . . . . . . . . . rr_1nct 1 . 1 . 1247 . 1 1 97 GLU C C 4.348 -0.993 7.954 . . . 1.0 . . . . . . . . . . . . A . 82 GLU C . . . . . . . . . rr_1nct 1 . 1 . 1248 . 1 1 97 GLU CA C 5.356 -2.023 7.443 . . . 1.0 . . . . . . . . . . . . A . 82 GLU CA . . . . . . . . . rr_1nct 1 . 1 . 1249 . 1 1 97 GLU CB C 4.853 -3.446 7.694 . . . 1.0 . . . . . . . . . . . . A . 82 GLU CB . . . . . . . . . rr_1nct 1 . 1 . 1250 . 1 1 97 GLU CD C 3.010 -3.668 9.372 . . . 1.0 . . . . . . . . . . . . A . 82 GLU CD . . . . . . . . . rr_1nct 1 . 1 . 1251 . 1 1 97 GLU CG C 4.528 -3.626 9.180 . . . 1.0 . . . . . . . . . . . . A . 82 GLU CG . . . . . . . . . rr_1nct 1 . 1 . 1252 . 1 1 97 GLU H H 6.648 -1.501 9.089 . . . 1.0 . . . . . . . . . . . . A . 82 GLU H . . . . . . . . . rr_1nct 1 . 1 . 1253 . 1 1 97 GLU HA H 5.529 -1.875 6.386 . . . 1.0 . . . . . . . . . . . . A . 82 GLU HA . . . . . . . . . rr_1nct 1 . 1 . 1254 . 1 1 97 GLU HB2 H 3.963 -3.621 7.107 . . . 1.0 . . . . . . . . . . . . A . 82 GLU HB2 . . . . . . . . . rr_1nct 1 . 1 . 1255 . 1 1 97 GLU HB3 H 5.617 -4.153 7.407 . . . 1.0 . . . . . . . . . . . . A . 82 GLU HB3 . . . . . . . . . rr_1nct 1 . 1 . 1256 . 1 1 97 GLU HG2 H 4.962 -4.550 9.533 . . . 1.0 . . . . . . . . . . . . A . 82 GLU HG2 . . . . . . . . . rr_1nct 1 . 1 . 1257 . 1 1 97 GLU HG3 H 4.937 -2.799 9.740 . . . 1.0 . . . . . . . . . . . . A . 82 GLU HG3 . . . . . . . . . rr_1nct 1 . 1 . 1258 . 1 1 97 GLU N N 6.636 -1.923 8.205 . . . 1.0 . . . . . . . . . . . . A . 82 GLU N . . . . . . . . . rr_1nct 1 . 1 . 1259 . 1 1 97 GLU O O 4.623 -0.220 8.850 . . . 1.0 . . . . . . . . . . . . A . 82 GLU O . . . . . . . . . rr_1nct 1 . 1 . 1260 . 1 1 97 GLU OE1 O 2.306 -3.229 8.476 . . . 1.0 . . . . . . . . . . . . A . 82 GLU OE1 . . . . . . . . . rr_1nct 1 . 1 . 1261 . 1 1 97 GLU OE2 O 2.577 -4.138 10.411 . . . 1.0 . . . . . . . . . . . . A . 82 GLU OE2 . . . . . . . . . rr_1nct 1 . 1 . 1262 . 1 1 98 ALA C C 0.769 -0.686 7.629 . . . 1.0 . . . . . . . . . . . . A . 83 ALA C . . . . . . . . . rr_1nct 1 . 1 . 1263 . 1 1 98 ALA CA C 2.132 -0.026 7.802 . . . 1.0 . . . . . . . . . . . . A . 83 ALA CA . . . . . . . . . rr_1nct 1 . 1 . 1264 . 1 1 98 ALA CB C 2.282 1.159 6.846 . . . 1.0 . . . . . . . . . . . . A . 83 ALA CB . . . . . . . . . rr_1nct 1 . 1 . 1265 . 1 1 98 ALA H H 2.990 -1.626 6.668 . . . 1.0 . . . . . . . . . . . . A . 83 ALA H . . . . . . . . . rr_1nct 1 . 1 . 1266 . 1 1 98 ALA HA H 2.283 0.290 8.822 . . . 1.0 . . . . . . . . . . . . A . 83 ALA HA . . . . . . . . . rr_1nct 1 . 1 . 1267 . 1 1 98 ALA HB1 H 3.071 0.951 6.137 . . . 1.0 . . . . . . . . . . . . A . 83 ALA HB1 . . . . . . . . . rr_1nct 1 . 1 . 1268 . 1 1 98 ALA HB2 H 1.354 1.314 6.315 . . . 1.0 . . . . . . . . . . . . A . 83 ALA HB2 . . . . . . . . . rr_1nct 1 . 1 . 1269 . 1 1 98 ALA HB3 H 2.528 2.047 7.407 . . . 1.0 . . . . . . . . . . . . A . 83 ALA HB3 . . . . . . . . . rr_1nct 1 . 1 . 1270 . 1 1 98 ALA N N 3.181 -0.987 7.382 . . . 1.0 . . . . . . . . . . . . A . 83 ALA N . . . . . . . . . rr_1nct 1 . 1 . 1271 . 1 1 98 ALA O O 0.666 -1.758 7.065 . . . 1.0 . . . . . . . . . . . . A . 83 ALA O . . . . . . . . . rr_1nct 1 . 1 . 1272 . 1 1 99 GLU C C -2.701 0.357 7.727 . . . 1.0 . . . . . . . . . . . . A . 84 GLU C . . . . . . . . . rr_1nct 1 . 1 . 1273 . 1 1 99 GLU CA C -1.614 -0.705 7.934 . . . 1.0 . . . . . . . . . . . . A . 84 GLU CA . . . . . . . . . rr_1nct 1 . 1 . 1274 . 1 1 99 GLU CB C -1.854 -1.470 9.236 . . . 1.0 . . . . . . . . . . . . A . 84 GLU CB . . . . . . . . . rr_1nct 1 . 1 . 1275 . 1 1 99 GLU CD C -2.657 -3.634 8.271 . . . 1.0 . . . . . . . . . . . . A . 84 GLU CD . . . . . . . . . rr_1nct 1 . 1 . 1276 . 1 1 99 GLU CG C -1.519 -2.950 9.032 . . . 1.0 . . . . . . . . . . . . A . 84 GLU CG . . . . . . . . . rr_1nct 1 . 1 . 1277 . 1 1 99 GLU H H -0.189 0.792 8.549 . . . 1.0 . . . . . . . . . . . . A . 84 GLU H . . . . . . . . . rr_1nct 1 . 1 . 1278 . 1 1 99 GLU HA H -1.592 -1.397 7.100 . . . 1.0 . . . . . . . . . . . . A . 84 GLU HA . . . . . . . . . rr_1nct 1 . 1 . 1279 . 1 1 99 GLU HB2 H -1.225 -1.062 10.014 . . . 1.0 . . . . . . . . . . . . A . 84 GLU HB2 . . . . . . . . . rr_1nct 1 . 1 . 1280 . 1 1 99 GLU HB3 H -2.890 -1.375 9.524 . . . 1.0 . . . . . . . . . . . . A . 84 GLU HB3 . . . . . . . . . rr_1nct 1 . 1 . 1281 . 1 1 99 GLU HG2 H -0.603 -3.035 8.465 . . . 1.0 . . . . . . . . . . . . A . 84 GLU HG2 . . . . . . . . . rr_1nct 1 . 1 . 1282 . 1 1 99 GLU HG3 H -1.394 -3.426 9.992 . . . 1.0 . . . . . . . . . . . . A . 84 GLU HG3 . . . . . . . . . rr_1nct 1 . 1 . 1283 . 1 1 99 GLU N N -0.279 -0.073 8.097 . . . 1.0 . . . . . . . . . . . . A . 84 GLU N . . . . . . . . . rr_1nct 1 . 1 . 1284 . 1 1 99 GLU O O -2.553 1.505 8.094 . . . 1.0 . . . . . . . . . . . . A . 84 GLU O . . . . . . . . . rr_1nct 1 . 1 . 1285 . 1 1 99 GLU OE1 O -3.267 -2.978 7.442 . . . 1.0 . . . . . . . . . . . . A . 84 GLU OE1 . . . . . . . . . rr_1nct 1 . 1 . 1286 . 1 1 99 GLU OE2 O -2.899 -4.801 8.528 . . . 1.0 . . . . . . . . . . . . A . 84 GLU OE2 . . . . . . . . . rr_1nct 1 . 1 . 1287 . 1 1 100 PHE C C -6.054 0.129 6.226 . . . 1.0 . . . . . . . . . . . . A . 85 PHE C . . . . . . . . . rr_1nct 1 . 1 . 1288 . 1 1 100 PHE CA C -4.919 0.907 6.879 . . . 1.0 . . . . . . . . . . . . A . 85 PHE CA . . . . . . . . . rr_1nct 1 . 1 . 1289 . 1 1 100 PHE CB C -4.371 1.959 5.918 . . . 1.0 . . . . . . . . . . . . A . 85 PHE CB . . . . . . . . . rr_1nct 1 . 1 . 1290 . 1 1 100 PHE CD1 C -4.474 0.958 3.604 . . . 1.0 . . . . . . . . . . . . A . 85 PHE CD1 . . . . . . . . . rr_1nct 1 . 1 . 1291 . 1 1 100 PHE CD2 C -2.356 0.958 4.779 . . . 1.0 . . . . . . . . . . . . A . 85 PHE CD2 . . . . . . . . . rr_1nct 1 . 1 . 1292 . 1 1 100 PHE CE1 C -3.869 0.319 2.515 . . . 1.0 . . . . . . . . . . . . A . 85 PHE CE1 . . . . . . . . . rr_1nct 1 . 1 . 1293 . 1 1 100 PHE CE2 C -1.754 0.317 3.691 . . . 1.0 . . . . . . . . . . . . A . 85 PHE CE2 . . . . . . . . . rr_1nct 1 . 1 . 1294 . 1 1 100 PHE CG C -3.717 1.278 4.736 . . . 1.0 . . . . . . . . . . . . A . 85 PHE CG . . . . . . . . . rr_1nct 1 . 1 . 1295 . 1 1 100 PHE CZ C -2.512 -0.002 2.560 . . . 1.0 . . . . . . . . . . . . A . 85 PHE CZ . . . . . . . . . rr_1nct 1 . 1 . 1296 . 1 1 100 PHE H H -3.871 -0.969 6.854 . . . 1.0 . . . . . . . . . . . . A . 85 PHE H . . . . . . . . . rr_1nct 1 . 1 . 1297 . 1 1 100 PHE HA H -5.248 1.368 7.797 . . . 1.0 . . . . . . . . . . . . A . 85 PHE HA . . . . . . . . . rr_1nct 1 . 1 . 1298 . 1 1 100 PHE HB2 H -5.182 2.580 5.572 . . . 1.0 . . . . . . . . . . . . A . 85 PHE HB2 . . . . . . . . . rr_1nct 1 . 1 . 1299 . 1 1 100 PHE HB3 H -3.647 2.567 6.432 . . . 1.0 . . . . . . . . . . . . A . 85 PHE HB3 . . . . . . . . . rr_1nct 1 . 1 . 1300 . 1 1 100 PHE HD1 H -5.523 1.206 3.568 . . . 1.0 . . . . . . . . . . . . A . 85 PHE HD1 . . . . . . . . . rr_1nct 1 . 1 . 1301 . 1 1 100 PHE HD2 H -1.769 1.205 5.652 . . . 1.0 . . . . . . . . . . . . A . 85 PHE HD2 . . . . . . . . . rr_1nct 1 . 1 . 1302 . 1 1 100 PHE HE1 H -4.450 0.071 1.641 . . . 1.0 . . . . . . . . . . . . A . 85 PHE HE1 . . . . . . . . . rr_1nct 1 . 1 . 1303 . 1 1 100 PHE HE2 H -0.707 0.070 3.724 . . . 1.0 . . . . . . . . . . . . A . 85 PHE HE2 . . . . . . . . . rr_1nct 1 . 1 . 1304 . 1 1 100 PHE HZ H -2.048 -0.497 1.723 . . . 1.0 . . . . . . . . . . . . A . 85 PHE HZ . . . . . . . . . rr_1nct 1 . 1 . 1305 . 1 1 100 PHE N N -3.791 -0.037 7.136 . . . 1.0 . . . . . . . . . . . . A . 85 PHE N . . . . . . . . . rr_1nct 1 . 1 . 1306 . 1 1 100 PHE O O -5.836 -0.619 5.301 . . . 1.0 . . . . . . . . . . . . A . 85 PHE O . . . . . . . . . rr_1nct 1 . 1 . 1307 . 1 1 101 THR C C -9.092 0.289 5.007 . . . 1.0 . . . . . . . . . . . . A . 86 THR C . . . . . . . . . rr_1nct 1 . 1 . 1308 . 1 1 101 THR CA C -8.381 -0.509 6.101 . . . 1.0 . . . . . . . . . . . . A . 86 THR CA . . . . . . . . . rr_1nct 1 . 1 . 1309 . 1 1 101 THR CB C -9.348 -0.846 7.247 . . . 1.0 . . . . . . . . . . . . A . 86 THR CB . . . . . . . . . rr_1nct 1 . 1 . 1310 . 1 1 101 THR CG2 C -8.574 -1.222 8.517 . . . 1.0 . . . . . . . . . . . . A . 86 THR CG2 . . . . . . . . . rr_1nct 1 . 1 . 1311 . 1 1 101 THR H H -7.410 0.874 7.462 . . . 1.0 . . . . . . . . . . . . A . 86 THR H . . . . . . . . . rr_1nct 1 . 1 . 1312 . 1 1 101 THR HA H -7.996 -1.421 5.681 . . . 1.0 . . . . . . . . . . . . A . 86 THR HA . . . . . . . . . rr_1nct 1 . 1 . 1313 . 1 1 101 THR HB H -9.963 -1.687 6.953 . . . 1.0 . . . . . . . . . . . . A . 86 THR HB . . . . . . . . . rr_1nct 1 . 1 . 1314 . 1 1 101 THR HG1 H -10.926 0.241 6.912 . . . 1.0 . . . . . . . . . . . . A . 86 THR HG1 . . . . . . . . . rr_1nct 1 . 1 . 1315 . 1 1 101 THR HG21 H -7.807 -1.942 8.270 . . . 1.0 . . . . . . . . . . . . A . 86 THR HG21 . . . . . . . . . rr_1nct 1 . 1 . 1316 . 1 1 101 THR HG22 H -8.116 -0.338 8.935 . . . 1.0 . . . . . . . . . . . . A . 86 THR HG22 . . . . . . . . . rr_1nct 1 . 1 . 1317 . 1 1 101 THR HG23 H -9.252 -1.652 9.239 . . . 1.0 . . . . . . . . . . . . A . 86 THR HG23 . . . . . . . . . rr_1nct 1 . 1 . 1318 . 1 1 101 THR N N -7.254 0.274 6.704 . . . 1.0 . . . . . . . . . . . . A . 86 THR N . . . . . . . . . rr_1nct 1 . 1 . 1319 . 1 1 101 THR O O -9.568 1.386 5.219 . . . 1.0 . . . . . . . . . . . . A . 86 THR O . . . . . . . . . rr_1nct 1 . 1 . 1320 . 1 1 101 THR OG1 O -10.177 0.277 7.511 . . . 1.0 . . . . . . . . . . . . A . 86 THR OG1 . . . . . . . . . rr_1nct 1 . 1 . 1321 . 1 1 102 LEU C C -10.987 -0.451 2.219 . . . 1.0 . . . . . . . . . . . . A . 87 LEU C . . . . . . . . . rr_1nct 1 . 1 . 1322 . 1 1 102 LEU CA C -9.814 0.393 2.674 . . . 1.0 . . . . . . . . . . . . A . 87 LEU CA . . . . . . . . . rr_1nct 1 . 1 . 1323 . 1 1 102 LEU CB C -8.729 0.433 1.607 . . . 1.0 . . . . . . . . . . . . A . 87 LEU CB . . . . . . . . . rr_1nct 1 . 1 . 1324 . 1 1 102 LEU CD1 C -7.811 2.230 3.165 . . . 1.0 . . . . . . . . . . . . A . 87 LEU CD1 . . . . . . . . . rr_1nct 1 . 1 . 1325 . 1 1 102 LEU CD2 C -6.471 1.362 1.257 . . . 1.0 . . . . . . . . . . . . A . 87 LEU CD2 . . . . . . . . . rr_1nct 1 . 1 . 1326 . 1 1 102 LEU CG C -7.880 1.707 1.720 . . . 1.0 . . . . . . . . . . . . A . 87 LEU CG . . . . . . . . . rr_1nct 1 . 1 . 1327 . 1 1 102 LEU H H -8.749 -1.158 3.706 . . . 1.0 . . . . . . . . . . . . A . 87 LEU H . . . . . . . . . rr_1nct 1 . 1 . 1328 . 1 1 102 LEU HA H -10.137 1.387 2.928 . . . 1.0 . . . . . . . . . . . . A . 87 LEU HA . . . . . . . . . rr_1nct 1 . 1 . 1329 . 1 1 102 LEU HB2 H -8.085 -0.427 1.726 . . . 1.0 . . . . . . . . . . . . A . 87 LEU HB2 . . . . . . . . . rr_1nct 1 . 1 . 1330 . 1 1 102 LEU HB3 H -9.187 0.400 0.631 . . . 1.0 . . . . . . . . . . . . A . 87 LEU HB3 . . . . . . . . . rr_1nct 1 . 1 . 1331 . 1 1 102 LEU HD11 H -7.410 1.461 3.805 . . . 1.0 . . . . . . . . . . . . A . 87 LEU HD11 . . . . . . . . . rr_1nct 1 . 1 . 1332 . 1 1 102 LEU HD12 H -7.174 3.098 3.203 . . . 1.0 . . . . . . . . . . . . A . 87 LEU HD12 . . . . . . . . . rr_1nct 1 . 1 . 1333 . 1 1 102 LEU HD13 H -8.800 2.498 3.500 . . . 1.0 . . . . . . . . . . . . A . 87 LEU HD13 . . . . . . . . . rr_1nct 1 . 1 . 1334 . 1 1 102 LEU HD21 H -6.279 0.322 1.477 . . . 1.0 . . . . . . . . . . . . A . 87 LEU HD21 . . . . . . . . . rr_1nct 1 . 1 . 1335 . 1 1 102 LEU HD22 H -6.387 1.524 0.195 . . . 1.0 . . . . . . . . . . . . A . 87 LEU HD22 . . . . . . . . . rr_1nct 1 . 1 . 1336 . 1 1 102 LEU HD23 H -5.755 1.978 1.780 . . . 1.0 . . . . . . . . . . . . A . 87 LEU HD23 . . . . . . . . . rr_1nct 1 . 1 . 1337 . 1 1 102 LEU HG H -8.300 2.467 1.085 . . . 1.0 . . . . . . . . . . . . A . 87 LEU HG . . . . . . . . . rr_1nct 1 . 1 . 1338 . 1 1 102 LEU N N -9.151 -0.276 3.832 . . . 1.0 . . . . . . . . . . . . A . 87 LEU N . . . . . . . . . rr_1nct 1 . 1 . 1339 . 1 1 102 LEU O O -10.895 -1.230 1.291 . . . 1.0 . . . . . . . . . . . . A . 87 LEU O . . . . . . . . . rr_1nct 1 . 1 . 1340 . 1 1 103 THR C C -13.973 -0.654 1.285 . . . 1.0 . . . . . . . . . . . . A . 88 THR C . . . . . . . . . rr_1nct 1 . 1 . 1341 . 1 1 103 THR CA C -13.284 -1.140 2.562 . . . 1.0 . . . . . . . . . . . . A . 88 THR CA . . . . . . . . . rr_1nct 1 . 1 . 1342 . 1 1 103 THR CB C -14.228 -1.027 3.764 . . . 1.0 . . . . . . . . . . . . A . 88 THR CB . . . . . . . . . rr_1nct 1 . 1 . 1343 . 1 1 103 THR CG2 C -14.919 -2.377 3.975 . . . 1.0 . . . . . . . . . . . . A . 88 THR CG2 . . . . . . . . . rr_1nct 1 . 1 . 1344 . 1 1 103 THR H H -12.089 0.319 3.646 . . . 1.0 . . . . . . . . . . . . A . 88 THR H . . . . . . . . . rr_1nct 1 . 1 . 1345 . 1 1 103 THR HA H -12.995 -2.175 2.440 . . . 1.0 . . . . . . . . . . . . A . 88 THR HA . . . . . . . . . rr_1nct 1 . 1 . 1346 . 1 1 103 THR HB H -14.974 -0.273 3.570 . . . 1.0 . . . . . . . . . . . . A . 88 THR HB . . . . . . . . . rr_1nct 1 . 1 . 1347 . 1 1 103 THR HG1 H -13.480 0.270 5.007 . . . 1.0 . . . . . . . . . . . . A . 88 THR HG1 . . . . . . . . . rr_1nct 1 . 1 . 1348 . 1 1 103 THR HG21 H -14.772 -2.997 3.101 . . . 1.0 . . . . . . . . . . . . A . 88 THR HG21 . . . . . . . . . rr_1nct 1 . 1 . 1349 . 1 1 103 THR HG22 H -14.492 -2.869 4.838 . . . 1.0 . . . . . . . . . . . . A . 88 THR HG22 . . . . . . . . . rr_1nct 1 . 1 . 1350 . 1 1 103 THR HG23 H -15.975 -2.223 4.133 . . . 1.0 . . . . . . . . . . . . A . 88 THR HG23 . . . . . . . . . rr_1nct 1 . 1 . 1351 . 1 1 103 THR N N -12.077 -0.316 2.898 . . . 1.0 . . . . . . . . . . . . A . 88 THR N . . . . . . . . . rr_1nct 1 . 1 . 1352 . 1 1 103 THR O O -13.742 0.439 0.803 . . . 1.0 . . . . . . . . . . . . A . 88 THR O . . . . . . . . . rr_1nct 1 . 1 . 1353 . 1 1 103 THR OG1 O -13.492 -0.686 4.932 . . . 1.0 . . . . . . . . . . . . A . 88 THR OG1 . . . . . . . . . rr_1nct 1 . 1 . 1354 . 1 1 104 ILE C C -16.993 -1.656 -0.435 . . . 1.0 . . . . . . . . . . . . A . 89 ILE C . . . . . . . . . rr_1nct 1 . 1 . 1355 . 1 1 104 ILE CA C -15.557 -1.134 -0.504 . . . 1.0 . . . . . . . . . . . . A . 89 ILE CA . . . . . . . . . rr_1nct 1 . 1 . 1356 . 1 1 104 ILE CB C -14.793 -1.815 -1.646 . . . 1.0 . . . . . . . . . . . . A . 89 ILE CB . . . . . . . . . rr_1nct 1 . 1 . 1357 . 1 1 104 ILE CD1 C -13.885 -3.786 -0.320 . . . 1.0 . . . . . . . . . . . . A . 89 ILE CD1 . . . . . . . . . rr_1nct 1 . 1 . 1358 . 1 1 104 ILE CG1 C -14.806 -3.350 -1.464 . . . 1.0 . . . . . . . . . . . . A . 89 ILE CG1 . . . . . . . . . rr_1nct 1 . 1 . 1359 . 1 1 104 ILE CG2 C -13.356 -1.289 -1.687 . . . 1.0 . . . . . . . . . . . . A . 89 ILE CG2 . . . . . . . . . rr_1nct 1 . 1 . 1360 . 1 1 104 ILE H H -14.992 -2.348 1.175 . . . 1.0 . . . . . . . . . . . . A . 89 ILE H . . . . . . . . . rr_1nct 1 . 1 . 1361 . 1 1 104 ILE HA H -15.550 -0.071 -0.648 . . . 1.0 . . . . . . . . . . . . A . 89 ILE HA . . . . . . . . . rr_1nct 1 . 1 . 1362 . 1 1 104 ILE HB H -15.277 -1.568 -2.581 . . . 1.0 . . . . . . . . . . . . A . 89 ILE HB . . . . . . . . . rr_1nct 1 . 1 . 1363 . 1 1 104 ILE HD11 H -13.272 -2.955 -0.007 . . . 1.0 . . . . . . . . . . . . A . 89 ILE HD11 . . . . . . . . . rr_1nct 1 . 1 . 1364 . 1 1 104 ILE HD12 H -14.488 -4.115 0.513 . . . 1.0 . . . . . . . . . . . . A . 89 ILE HD12 . . . . . . . . . rr_1nct 1 . 1 . 1365 . 1 1 104 ILE HD13 H -13.257 -4.593 -0.654 . . . 1.0 . . . . . . . . . . . . A . 89 ILE HD13 . . . . . . . . . rr_1nct 1 . 1 . 1366 . 1 1 104 ILE HG12 H -15.811 -3.673 -1.244 . . . 1.0 . . . . . . . . . . . . A . 89 ILE HG12 . . . . . . . . . rr_1nct 1 . 1 . 1367 . 1 1 104 ILE HG13 H -14.477 -3.818 -2.378 . . . 1.0 . . . . . . . . . . . . A . 89 ILE HG13 . . . . . . . . . rr_1nct 1 . 1 . 1368 . 1 1 104 ILE HG21 H -13.368 -0.209 -1.653 . . . 1.0 . . . . . . . . . . . . A . 89 ILE HG21 . . . . . . . . . rr_1nct 1 . 1 . 1369 . 1 1 104 ILE HG22 H -12.809 -1.669 -0.838 . . . 1.0 . . . . . . . . . . . . A . 89 ILE HG22 . . . . . . . . . rr_1nct 1 . 1 . 1370 . 1 1 104 ILE HG23 H -12.879 -1.615 -2.599 . . . 1.0 . . . . . . . . . . . . A . 89 ILE HG23 . . . . . . . . . rr_1nct 1 . 1 . 1371 . 1 1 104 ILE N N -14.827 -1.484 0.746 . . . 1.0 . . . . . . . . . . . . A . 89 ILE N . . . . . . . . . rr_1nct 1 . 1 . 1372 . 1 1 104 ILE O O -17.480 -2.297 -1.345 . . . 1.0 . . . . . . . . . . . . A . 89 ILE O . . . . . . . . . rr_1nct 1 . 1 . 1373 . 1 1 105 GLN C C -19.883 -1.766 -0.433 . . . 1.0 . . . . . . . . . . . . A . 90 GLN C . . . . . . . . . rr_1nct 1 . 1 . 1374 . 1 1 105 GLN CA C -19.068 -1.842 0.859 . . . 1.0 . . . . . . . . . . . . A . 90 GLN CA . . . . . . . . . rr_1nct 1 . 1 . 1375 . 1 1 105 GLN CB C -19.643 -0.866 1.889 . . . 1.0 . . . . . . . . . . . . A . 90 GLN CB . . . . . . . . . rr_1nct 1 . 1 . 1376 . 1 1 105 GLN CD C -21.778 -2.191 1.806 . . . 1.0 . . . . . . . . . . . . A . 90 GLN CD . . . . . . . . . rr_1nct 1 . 1 . 1377 . 1 1 105 GLN CG C -20.728 -1.557 2.724 . . . 1.0 . . . . . . . . . . . . A . 90 GLN CG . . . . . . . . . rr_1nct 1 . 1 . 1378 . 1 1 105 GLN H H -17.217 -0.883 1.358 . . . 1.0 . . . . . . . . . . . . A . 90 GLN H . . . . . . . . . rr_1nct 1 . 1 . 1379 . 1 1 105 GLN HA H -19.087 -2.843 1.258 . . . 1.0 . . . . . . . . . . . . A . 90 GLN HA . . . . . . . . . rr_1nct 1 . 1 . 1380 . 1 1 105 GLN HB2 H -18.852 -0.527 2.541 . . . 1.0 . . . . . . . . . . . . A . 90 GLN HB2 . . . . . . . . . rr_1nct 1 . 1 . 1381 . 1 1 105 GLN HB3 H -20.074 -0.019 1.377 . . . 1.0 . . . . . . . . . . . . A . 90 GLN HB3 . . . . . . . . . rr_1nct 1 . 1 . 1382 . 1 1 105 GLN HE21 H -20.742 -3.865 1.546 . . . 1.0 . . . . . . . . . . . . A . 90 GLN HE21 . . . . . . . . . rr_1nct 1 . 1 . 1383 . 1 1 105 GLN HE22 H -22.231 -3.800 0.735 . . . 1.0 . . . . . . . . . . . . A . 90 GLN HE22 . . . . . . . . . rr_1nct 1 . 1 . 1384 . 1 1 105 GLN HG2 H -20.276 -2.323 3.334 . . . 1.0 . . . . . . . . . . . . A . 90 GLN HG2 . . . . . . . . . rr_1nct 1 . 1 . 1385 . 1 1 105 GLN HG3 H -21.206 -0.827 3.360 . . . 1.0 . . . . . . . . . . . . A . 90 GLN HG3 . . . . . . . . . rr_1nct 1 . 1 . 1386 . 1 1 105 GLN N N -17.657 -1.386 0.656 . . . 1.0 . . . . . . . . . . . . A . 90 GLN N . . . . . . . . . rr_1nct 1 . 1 . 1387 . 1 1 105 GLN NE2 N -21.566 -3.384 1.322 . . . 1.0 . . . . . . . . . . . . A . 90 GLN NE2 . . . . . . . . . rr_1nct 1 . 1 . 1388 . 1 1 105 GLN O O -20.134 -0.716 -0.964 . . . 1.0 . . . . . . . . . . . . A . 90 GLN O . . . . . . . . . rr_1nct 1 . 1 . 1389 . 1 1 105 GLN OE1 O -22.801 -1.597 1.529 . . . 1.0 . . . . . . . . . . . . A . 90 GLN OE1 . . . . . . . . . rr_1nct 1 . 1 . 1390 . 1 1 106 LYS C C -20.469 -2.022 -3.269 . . . 1.0 . . . . . . . . . . . . A . 91 LYS C . . . . . . . . . rr_1nct 1 . 1 . 1391 . 1 1 106 LYS CA C -21.119 -2.884 -2.182 . . . 1.0 . . . . . . . . . . . . A . 91 LYS CA . . . . . . . . . rr_1nct 1 . 1 . 1392 . 1 1 106 LYS CB C -22.467 -2.313 -1.769 . . . 1.0 . . . . . . . . . . . . A . 91 LYS CB . . . . . . . . . rr_1nct 1 . 1 . 1393 . 1 1 106 LYS CD C -24.554 -3.547 -2.374 . . . 1.0 . . . . . . . . . . . . A . 91 LYS CD . . . . . . . . . rr_1nct 1 . 1 . 1394 . 1 1 106 LYS CE C -25.849 -3.901 -1.639 . . . 1.0 . . . . . . . . . . . . A . 91 LYS CE . . . . . . . . . rr_1nct 1 . 1 . 1395 . 1 1 106 LYS CG C -23.405 -3.454 -1.369 . . . 1.0 . . . . . . . . . . . . A . 91 LYS CG . . . . . . . . . rr_1nct 1 . 1 . 1396 . 1 1 106 LYS H H -20.092 -3.714 -0.479 . . . 1.0 . . . . . . . . . . . . A . 91 LYS H . . . . . . . . . rr_1nct 1 . 1 . 1397 . 1 1 106 LYS HA H -21.252 -3.877 -2.534 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HA . . . . . . . . . rr_1nct 1 . 1 . 1398 . 1 1 106 LYS HB2 H -22.328 -1.651 -0.930 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HB2 . . . . . . . . . rr_1nct 1 . 1 . 1399 . 1 1 106 LYS HB3 H -22.896 -1.772 -2.596 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HB3 . . . . . . . . . rr_1nct 1 . 1 . 1400 . 1 1 106 LYS HD2 H -24.672 -2.597 -2.875 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HD2 . . . . . . . . . rr_1nct 1 . 1 . 1401 . 1 1 106 LYS HD3 H -24.335 -4.314 -3.102 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HD3 . . . . . . . . . rr_1nct 1 . 1 . 1402 . 1 1 106 LYS HE2 H -26.410 -4.635 -2.201 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HE2 . . . . . . . . . rr_1nct 1 . 1 . 1403 . 1 1 106 LYS HE3 H -25.631 -4.270 -0.649 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HE3 . . . . . . . . . rr_1nct 1 . 1 . 1404 . 1 1 106 LYS HG2 H -22.855 -4.385 -1.362 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HG2 . . . . . . . . . rr_1nct 1 . 1 . 1405 . 1 1 106 LYS HG3 H -23.805 -3.264 -0.385 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HG3 . . . . . . . . . rr_1nct 1 . 1 . 1406 . 1 1 106 LYS HZ1 H -25.996 -1.886 -1.140 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HZ1 . . . . . . . . . rr_1nct 1 . 1 . 1407 . 1 1 106 LYS HZ2 H -26.904 -2.330 -2.505 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HZ2 . . . . . . . . . rr_1nct 1 . 1 . 1408 . 1 1 106 LYS HZ3 H -27.441 -2.751 -0.950 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HZ3 . . . . . . . . . rr_1nct 1 . 1 . 1409 . 1 1 106 LYS N N -20.304 -2.880 -0.931 . . . 1.0 . . . . . . . . . . . . A . 91 LYS N . . . . . . . . . rr_1nct 1 . 1 . 1410 . 1 1 106 LYS NZ N -26.604 -2.620 -1.552 . . . 1.0 . . . . . . . . . . . . A . 91 LYS NZ . . . . . . . . . rr_1nct 1 . 1 . 1411 . 1 1 106 LYS O O -21.052 -1.012 -3.626 . . . 1.0 . . . . . . . . . . . . A . 91 LYS O . . . . . . . . . rr_1nct 1 . 1 . 1412 . 1 1 106 LYS OXT O -19.400 -2.390 -3.727 . . . 1.0 . . . . . . . . . . . . A . 91 LYS OXT . . . . . . . . . rr_1nct 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_1nct _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 1nct.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1nct 1 1 1nct.mr . . n/a 2 comment 'Not applicable' 'Not applicable' 0 rr_1nct 1 1 1nct.mr . . XPLOR/CNS 3 'dihedral angle' 'Not applicable' 'Not applicable' 47 rr_1nct 1 1 1nct.mr . . XPLOR/CNS 4 distance NOE simple 1059 rr_1nct 1 1 1nct.mr . . XPLOR/CNS 5 distance 'hydrogen bond' simple 48 rr_1nct 1 1 1nct.mr . . 'MR format' 6 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1nct 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID rr_1nct _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 4 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1nct 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 10 10 LYS H H . . . 1 1 9 9 SER HA H . . . . . 3.2 0.7 3.35 . . . . . . . . . . . . . . . . . . . . 2 . HN . . . . . 1 . HA . . rr_1nct 1 2 1 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 SER HB2 H . . . . . 4.1 1.6 4.25 . . . . . . . . . . . . . . . . . . . . 2 . HN . . . . . 1 . HB# . . rr_1nct 1 2 2 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 SER HB3 H . . . . . 4.1 1.6 4.25 . . . . . . . . . . . . . . . . . . . . 2 . HN . . . . . 1 . HB# . . rr_1nct 1 3 1 . . 1 1 11 11 THR H H . . . 1 1 10 10 LYS HA H . . . . . 3.5 1.0 3.65 . . . . . . . . . . . . . . . . . . . . 3 . HN . . . . . 2 . HA . . rr_1nct 1 4 1 OR . 1 1 11 11 THR H H . . . 1 1 10 10 LYS HD2 H . . . . . 4.1 1.6 4.25 . . . . . . . . . . . . . . . . . . . . 3 . HN . . . . . 2 . HD# . . rr_1nct 1 4 2 OR . 1 1 11 11 THR H H . . . 1 1 10 10 LYS HD3 H . . . . . 4.1 1.6 4.25 . . . . . . . . . . . . . . . . . . . . 3 . HN . . . . . 2 . HD# . . rr_1nct 1 5 1 . . 1 1 13 13 LEU H H . . . 1 1 12 12 THR MG H . . . . . 4.2 1.7 4.35 . . . . . . . . . . . . . . . . . . . . 5 . HN . . . . . 4 . HG2# . . rr_1nct 1 6 1 . . 1 1 14 14 ALA H H . . . 1 1 13 13 LEU HA H . . . . . 3.2 0.7 3.35 . . . . . . . . . . . . . . . . . . . . 6 . HN . . . . . 5 . HA . . rr_1nct 1 7 1 . . 1 1 14 14 ALA H H . . . 1 1 13 13 LEU MD1 H . . . . . 3.9 1.4 4.05 . . . . . . . . . . . . . . . . . . . . 6 . HN . . . . . 5 . HD1# . . rr_1nct 1 8 1 . . 1 1 14 14 ALA H H . . . 1 1 13 13 LEU MD2 H . . . . . 4.1 1.6 4.25 . . . . . . . . . . . . . . . . . . . . 6 . HN . . . . . 5 . HD2# . . rr_1nct 1 9 1 . . 1 1 15 15 ALA H H . . . 1 1 14 14 ALA HA H . . . . . 3.2 0.7 3.35 . . . . . . . . . . . . . . . . . . . . 7 . HN . . . . . 6 . HA . . rr_1nct 1 10 1 . . 1 1 15 15 ALA H H . . . 1 1 14 14 ALA MB H . . . . . 4.3 1.8 4.45 . . . . . . . . . . . . . . . . . . . . 7 . HN . . . . . 6 . HB# . . rr_1nct 1 11 1 . . 1 1 16 16 ARG H H . . . 1 1 15 15 ALA MB H . . . . . 4.4 1.9 4.55 . . . . . A . 1 ARG H . . . . . . . . . . 8 . HN . . . . . 7 . HB# . . rr_1nct 1 12 1 . . 1 1 17 17 ILE H H . . . 1 1 16 16 ARG HA H . . . . . 2.7 0.2 2.85 . . . . . A . 2 ILE H . . A . 1 ARG HA . . . 9 . HN . . . . . 8 . HA . . rr_1nct 1 13 1 . . 1 1 18 18 LEU H H . . . 1 1 17 17 ILE HA H . . . . . 3.0 0.5 3.15 . . . . . A . 3 LEU H . . A . 2 ILE HA . . . 10 . HN . . . . . 9 . HA . . rr_1nct 1 14 1 . . 1 1 19 19 THR H H . . . 1 1 18 18 LEU HA H . . . . . 3.3 0.8 3.45 . . . . . A . 4 THR H . . A . 3 LEU HA . . . 11 . HN . . . . . 10 . HA . . rr_1nct 1 15 1 . . 1 1 19 19 THR H H . . . 1 1 18 18 LEU HB3 H . . . . . 3.6 1.1 3.75 . . . . . A . 4 THR H . . A . 3 LEU HB3 . . . 11 . HN . . . . . 10 . HB1 . . rr_1nct 1 16 1 . . 1 1 19 19 THR H H . . . 1 1 18 18 LEU HB2 H . . . . . 3.8 1.3 3.95 . . . . . A . 4 THR H . . A . 3 LEU HB2 . . . 11 . HN . . . . . 10 . HB2 . . rr_1nct 1 17 1 . . 1 1 20 20 LYS H H . . . 1 1 19 19 THR HA H . . . . . 2.9 0.4 3.05 . . . . . A . 5 LYS H . . A . 4 THR HA . . . 12 . HN . . . . . 11 . HA . . rr_1nct 1 18 1 . . 1 1 20 20 LYS H H . . . 1 1 19 19 THR HB H . . . . . 4.2 1.7 4.35 . . . . . A . 5 LYS H . . A . 4 THR HB . . . 12 . HN . . . . . 11 . HB . . rr_1nct 1 19 1 OR . 1 1 20 20 LYS H H . . . 1 1 21 21 PRO HD2 H . . . . . 4.5 2.0 4.65 . . . . . A . 5 LYS H . . A . 6 PRO HD2 . . . 12 . HN . . . . . 13 . HD# . . rr_1nct 1 19 2 OR . 1 1 20 20 LYS H H . . . 1 1 21 21 PRO HD3 H . . . . . 4.5 2.0 4.65 . . . . . A . 5 LYS H . . A . 6 PRO HD3 . . . 12 . HN . . . . . 13 . HD# . . rr_1nct 1 20 1 OR . 1 1 22 22 ARG H H . . . 1 1 21 21 PRO HB3 H . . . . . 4.2 1.7 4.35 . . . . . A . 7 ARG H . . A . 6 PRO HB3 . . . 14 . HN . . . . . 13 . HB# . . rr_1nct 1 20 2 OR . 1 1 22 22 ARG H H . . . 1 1 21 21 PRO HB2 H . . . . . 4.2 1.7 4.35 . . . . . A . 7 ARG H . . A . 6 PRO HB2 . . . 14 . HN . . . . . 13 . HB# . . rr_1nct 1 21 1 . . 1 1 22 22 ARG H H . . . 1 1 21 21 PRO HA H . . . . . 2.7 0.2 2.85 . . . . . A . 7 ARG H . . A . 6 PRO HA . . . 14 . HN . . . . . 13 . HA . . rr_1nct 1 22 1 . . 1 1 23 23 SER H H . . . 1 1 22 22 ARG HA H . . . . . 3.0 0.5 3.15 . . . . . A . 8 SER H . . A . 7 ARG HA . . . 15 . HN . . . . . 14 . HA . . rr_1nct 1 23 1 OR . 1 1 23 23 SER H H . . . 1 1 22 22 ARG HB2 H . . . . . 4.2 1.7 4.35 . . . . . A . 8 SER H . . A . 7 ARG HB2 . . . 15 . HN . . . . . 14 . HB# . . rr_1nct 1 23 2 OR . 1 1 23 23 SER H H . . . 1 1 22 22 ARG HB3 H . . . . . 4.2 1.7 4.35 . . . . . A . 8 SER H . . A . 7 ARG HB3 . . . 15 . HN . . . . . 14 . HB# . . rr_1nct 1 24 1 OR . 1 1 23 23 SER H H . . . 1 1 22 22 ARG HG2 H . . . . . 4.3 1.8 4.45 . . . . . A . 8 SER H . . A . 7 ARG HG2 . . . 15 . HN . . . . . 14 . HG# . . rr_1nct 1 24 2 OR . 1 1 23 23 SER H H . . . 1 1 22 22 ARG HG3 H . . . . . 4.3 1.8 4.45 . . . . . A . 8 SER H . . A . 7 ARG HG3 . . . 15 . HN . . . . . 14 . HG# . . rr_1nct 1 25 1 OR . 1 1 23 23 SER H H . . . 1 1 22 22 ARG HD2 H . . . . . 5.0 2.5 5.15 . . . . . A . 8 SER H . . A . 7 ARG HD2 . . . 15 . HN . . . . . 14 . HD# . . rr_1nct 1 25 2 OR . 1 1 23 23 SER H H . . . 1 1 22 22 ARG HD3 H . . . . . 5.0 2.5 5.15 . . . . . A . 8 SER H . . A . 7 ARG HD3 . . . 15 . HN . . . . . 14 . HD# . . rr_1nct 1 26 1 . . 1 1 24 24 MET H H . . . 1 1 23 23 SER HA H . . . . . 3.2 0.7 3.35 . . . . . A . 9 MET H . . A . 8 SER HA . . . 16 . HN . . . . . 15 . HA . . rr_1nct 1 27 1 . . 1 1 24 24 MET H H . . . 1 1 23 23 SER HB3 H . . . . . 3.0 0.5 3.15 . . . . . A . 9 MET H . . A . 8 SER HB3 . . . 16 . HN . . . . . 15 . HB1 . . rr_1nct 1 28 1 . . 1 1 24 24 MET H H . . . 1 1 23 23 SER HB2 H . . . . . 2.7 0.2 2.85 . . . . . A . 9 MET H . . A . 8 SER HB2 . . . 16 . HN . . . . . 15 . HB2 . . rr_1nct 1 29 1 . . 1 1 25 25 THR H H . . . 1 1 24 24 MET HA H . . . . . 2.6 0.1 2.75 . . . . . A . 10 THR H . . A . 9 MET HA . . . 17 . HN . . . . . 16 . HA . . rr_1nct 1 30 1 . . 1 1 25 25 THR H H . . . 1 1 24 24 MET HB3 H . . . . . 2.9 0.4 3.05 . . . . . A . 10 THR H . . A . 9 MET HB3 . . . 17 . HN . . . . . 16 . HB1 . . rr_1nct 1 31 1 . . 1 1 25 25 THR H H . . . 1 1 24 24 MET HB2 H . . . . . 3.6 1.1 3.75 . . . . . A . 10 THR H . . A . 9 MET HB2 . . . 17 . HN . . . . . 16 . HB2 . . rr_1nct 1 32 1 . . 1 1 25 25 THR HA H . . . 1 1 26 26 VAL MG1 H . . . . . 4.4 1.9 4.55 . . . . . A . 10 THR HA . . A . 11 VAL MG1 . . . 17 . HA . . . . . 18 . HG1# . . rr_1nct 1 33 1 . . 1 1 25 25 THR HA H . . . 1 1 26 26 VAL MG2 H . . . . . 5.2 2.7 5.35 . . . . . A . 10 THR HA . . A . 11 VAL MG2 . . . 17 . HA . . . . . 18 . HG2# . . rr_1nct 1 34 1 . . 1 1 25 25 THR HA H . . . 1 1 26 26 VAL H H . . . . . 2.9 0.4 3.05 . . . . . A . 10 THR HA . . A . 11 VAL H . . . 17 . HA . . . . . 18 . HN . . rr_1nct 1 35 1 . . 1 1 26 26 VAL H H . . . 1 1 25 25 THR HB H . . . . . 4.1 1.6 4.25 . . . . . A . 11 VAL H . . A . 10 THR HB . . . 18 . HN . . . . . 17 . HB . . rr_1nct 1 36 1 . . 1 1 27 27 TYR H H . . . 1 1 26 26 VAL HB H . . . . . 3.4 0.9 3.55 . . . . . A . 12 TYR H . . A . 11 VAL HB . . . 19 . HN . . . . . 18 . HB . . rr_1nct 1 37 1 . . 1 1 26 26 VAL MG1 H . . . 1 1 27 27 TYR H H . . . . . 4.4 1.9 4.55 . . . . . A . 11 VAL MG1 . . A . 12 TYR H . . . 18 . HG1# . . . . . 19 . HN . . rr_1nct 1 38 1 . . 1 1 26 26 VAL MG2 H . . . 1 1 27 27 TYR H H . . . . . 4.6 2.1 4.75 . . . . . A . 11 VAL MG2 . . A . 12 TYR H . . . 18 . HG2# . . . . . 19 . HN . . rr_1nct 1 39 1 . . 1 1 28 28 GLU H H . . . 1 1 27 27 TYR HB2 H . . . . . 3.3 0.8 3.45 . . . . . A . 13 GLU H . . A . 12 TYR HB2 . . . 20 . HN . . . . . 19 . HB2 . . rr_1nct 1 40 1 . . 1 1 28 28 GLU H H . . . 1 1 27 27 TYR HB3 H . . . . . 3.5 1.0 3.65 . . . . . A . 13 GLU H . . A . 12 TYR HB3 . . . 20 . HN . . . . . 19 . HB1 . . rr_1nct 1 41 1 . . 1 1 28 28 GLU H H . . . 1 1 27 27 TYR HA H . . . . . 3.5 1.0 3.65 . . . . . A . 13 GLU H . . A . 12 TYR HA . . . 20 . HN . . . . . 19 . HA . . rr_1nct 1 42 1 OR . 1 1 29 29 GLY H H . . . 1 1 28 28 GLU HB2 H . . . . . 3.9 1.4 4.05 . . . . . A . 14 GLY H . . A . 13 GLU HB2 . . . 21 . HN . . . . . 20 . HB# . . rr_1nct 1 42 2 OR . 1 1 29 29 GLY H H . . . 1 1 28 28 GLU HB3 H . . . . . 3.9 1.4 4.05 . . . . . A . 14 GLY H . . A . 13 GLU HB3 . . . 21 . HN . . . . . 20 . HB# . . rr_1nct 1 43 1 . . 1 1 29 29 GLY H H . . . 1 1 28 28 GLU HG3 H . . . . . 3.3 0.8 3.45 . . . . . A . 14 GLY H . . A . 13 GLU HG3 . . . 21 . HN . . . . . 20 . HG1 . . rr_1nct 1 44 1 . . 1 1 29 29 GLY H H . . . 1 1 28 28 GLU HG2 H . . . . . 3.2 0.7 3.35 . . . . . A . 14 GLY H . . A . 13 GLU HG2 . . . 21 . HN . . . . . 20 . HG2 . . rr_1nct 1 45 1 . . 1 1 30 30 GLU H H . . . 1 1 29 29 GLY HA2 H . . . . . 3.2 0.7 3.35 . . . . . A . 15 GLU H . . A . 14 GLY HA2 . . . 22 . HN . . . . . 21 . HA2 . . rr_1nct 1 46 1 . . 1 1 30 30 GLU H H . . . 1 1 29 29 GLY HA3 H . . . . . 3.4 0.9 3.55 . . . . . A . 15 GLU H . . A . 14 GLY HA3 . . . 22 . HN . . . . . 21 . HA1 . . rr_1nct 1 47 1 . . 1 1 31 31 SER H H . . . 1 1 30 30 GLU HA H . . . . . 3.3 0.8 3.45 . . . . . A . 16 SER H . . A . 15 GLU HA . . . 23 . HN . . . . . 22 . HA . . rr_1nct 1 48 1 OR . 1 1 31 31 SER H H . . . 1 1 30 30 GLU HB2 H . . . . . 4.1 1.6 4.25 . . . . . A . 16 SER H . . A . 15 GLU HB2 . . . 23 . HN . . . . . 22 . HB# . . rr_1nct 1 48 2 OR . 1 1 31 31 SER H H . . . 1 1 30 30 GLU HB3 H . . . . . 4.1 1.6 4.25 . . . . . A . 16 SER H . . A . 15 GLU HB3 . . . 23 . HN . . . . . 22 . HB# . . rr_1nct 1 49 1 OR . 1 1 32 32 ALA H H . . . 1 1 31 31 SER HB3 H . . . . . 4.3 1.8 4.45 . . . . . A . 17 ALA H . . A . 16 SER HB3 . . . 24 . HN . . . . . 23 . HB# . . rr_1nct 1 49 2 OR . 1 1 32 32 ALA H H . . . 1 1 31 31 SER HB2 H . . . . . 4.3 1.8 4.45 . . . . . A . 17 ALA H . . A . 16 SER HB2 . . . 24 . HN . . . . . 23 . HB# . . rr_1nct 1 50 1 . . 1 1 32 32 ALA H H . . . 1 1 31 31 SER HA H . . . . . 3.2 0.7 3.35 . . . . . A . 17 ALA H . . A . 16 SER HA . . . 24 . HN . . . . . 23 . HA . . rr_1nct 1 51 1 . . 1 1 33 33 ARG H H . . . 1 1 32 32 ALA HA H . . . . . 3.0 0.5 3.15 . . . . . A . 18 ARG H . . A . 17 ALA HA . . . 25 . HN . . . . . 24 . HA . . rr_1nct 1 52 1 . . 1 1 33 33 ARG H H . . . 1 1 32 32 ALA MB H . . . . . 4.2 1.7 4.35 . . . . . A . 18 ARG H . . A . 17 ALA MB . . . 25 . HN . . . . . 24 . HB# . . rr_1nct 1 53 1 . . 1 1 34 34 PHE H H . . . 1 1 33 33 ARG HA H . . . . . 2.9 0.4 3.05 . . . . . A . 19 PHE H . . A . 18 ARG HA . . . 26 . HN . . . . . 25 . HA . . rr_1nct 1 54 1 OR . 1 1 35 35 SER H H . . . 1 1 34 34 PHE HB2 H . . . . . 3.8 1.3 3.95 . . . . . A . 20 SER H . . A . 19 PHE HB2 . . . 27 . HN . . . . . 26 . HB# . . rr_1nct 1 54 2 OR . 1 1 35 35 SER H H . . . 1 1 34 34 PHE HB3 H . . . . . 3.8 1.3 3.95 . . . . . A . 20 SER H . . A . 19 PHE HB3 . . . 27 . HN . . . . . 26 . HB# . . rr_1nct 1 55 1 . . 1 1 35 35 SER H H . . . 1 1 34 34 PHE HA H . . . . . 3.1 0.6 3.25 . . . . . A . 20 SER H . . A . 19 PHE HA . . . 27 . HN . . . . . 26 . HA . . rr_1nct 1 56 1 OR . 1 1 36 36 CYS H H . . . 1 1 35 35 SER HB2 H . . . . . 3.8 1.3 3.95 . . . . . A . 21 CYS H . . A . 20 SER HB2 . . . 28 . HN . . . . . 27 . HB# . . rr_1nct 1 56 2 OR . 1 1 36 36 CYS H H . . . 1 1 35 35 SER HB3 H . . . . . 3.8 1.3 3.95 . . . . . A . 21 CYS H . . A . 20 SER HB3 . . . 28 . HN . . . . . 27 . HB# . . rr_1nct 1 57 1 . . 1 1 36 36 CYS H H . . . 1 1 35 35 SER HA H . . . . . 3.0 0.5 3.15 . . . . . A . 21 CYS H . . A . 20 SER HA . . . 28 . HN . . . . . 27 . HA . . rr_1nct 1 58 1 . . 1 1 37 37 ASP H H . . . 1 1 36 36 CYS HA H . . . . . 2.7 0.2 2.85 . . . . . A . 22 ASP H . . A . 21 CYS HA . . . 29 . HN . . . . . 28 . HA . . rr_1nct 1 59 1 . . 1 1 37 37 ASP H H . . . 1 1 36 36 CYS HB2 H . . . . . 3.4 0.9 3.55 . . . . . A . 22 ASP H . . A . 21 CYS HB2 . . . 29 . HN . . . . . 28 . HB2 . . rr_1nct 1 60 1 . . 1 1 37 37 ASP HA H . . . 1 1 38 38 THR MG H . . . . . 4.3 1.8 4.45 . . . . . A . 22 ASP HA . . A . 23 THR MG . . . 29 . HA . . . . . 30 . HG2# . . rr_1nct 1 61 1 . . 1 1 37 37 ASP HA H . . . 1 1 38 38 THR H H . . . . . 3.0 0.5 3.15 . . . . . A . 22 ASP HA . . A . 23 THR H . . . 29 . HA . . . . . 30 . HN . . rr_1nct 1 62 1 . . 1 1 38 38 THR H H . . . 1 1 37 37 ASP HB2 H . . . . . 4.1 1.6 4.25 . . . . . A . 23 THR H . . A . 22 ASP HB2 . . . 30 . HN . . . . . 29 . HB2 . . rr_1nct 1 63 1 . . 1 1 38 38 THR MG H . . . 1 1 39 39 ASP H H . . . . . 4.8 2.3 4.95 . . . . . A . 23 THR MG . . A . 24 ASP H . . . 30 . HG2# . . . . . 31 . HN . . rr_1nct 1 64 1 . . 1 1 39 39 ASP H H . . . 1 1 38 38 THR HB H . . . . . 3.1 0.6 3.25 . . . . . A . 24 ASP H . . A . 23 THR HB . . . 31 . HN . . . . . 30 . HB . . rr_1nct 1 65 1 . . 1 1 39 39 ASP H H . . . 1 1 38 38 THR HA H . . . . . 2.8 0.3 2.95 . . . . . A . 24 ASP H . . A . 23 THR HA . . . 31 . HN . . . . . 30 . HA . . rr_1nct 1 66 1 . . 1 1 40 40 GLY H H . . . 1 1 39 39 ASP HB3 H . . . . . 3.4 0.9 3.55 . . . . . A . 25 GLY H . . A . 24 ASP HB3 . . . 32 . HN . . . . . 31 . HB1 . . rr_1nct 1 67 1 . . 1 1 40 40 GLY H H . . . 1 1 39 39 ASP HB2 H . . . . . 3.8 1.3 3.95 . . . . . A . 25 GLY H . . A . 24 ASP HB2 . . . 32 . HN . . . . . 31 . HB2 . . rr_1nct 1 68 1 . . 1 1 40 40 GLY H H . . . 1 1 39 39 ASP HA H . . . . . 3.1 0.6 3.25 . . . . . A . 25 GLY H . . A . 24 ASP HA . . . 32 . HN . . . . . 31 . HA . . rr_1nct 1 69 1 . . 1 1 41 41 GLU H H . . . 1 1 40 40 GLY HA3 H . . . . . 3.3 0.8 3.45 . . . . . A . 26 GLU H . . A . 25 GLY HA3 . . . 33 . HN . . . . . 32 . HA1 . . rr_1nct 1 70 1 . . 1 1 41 41 GLU H H . . . 1 1 40 40 GLY HA2 H . . . . . 3.1 0.6 3.25 . . . . . A . 26 GLU H . . A . 25 GLY HA2 . . . 33 . HN . . . . . 32 . HA2 . . rr_1nct 1 71 1 OR . 1 1 43 43 VAL H H . . . 1 1 42 42 PRO HB2 H . . . . . 4.3 1.8 4.45 . . . . . A . 28 VAL H . . A . 27 PRO HB2 . . . 35 . HN . . . . . 34 . HB# . . rr_1nct 1 71 2 OR . 1 1 43 43 VAL H H . . . 1 1 42 42 PRO HB3 H . . . . . 4.3 1.8 4.45 . . . . . A . 28 VAL H . . A . 27 PRO HB3 . . . 35 . HN . . . . . 34 . HB# . . rr_1nct 1 72 1 OR . 1 1 43 43 VAL H H . . . 1 1 42 42 PRO HG2 H . . . . . 5.1 2.6 5.25 . . . . . A . 28 VAL H . . A . 27 PRO HG2 . . . 35 . HN . . . . . 34 . HG# . . rr_1nct 1 72 2 OR . 1 1 43 43 VAL H H . . . 1 1 42 42 PRO HG3 H . . . . . 5.1 2.6 5.25 . . . . . A . 28 VAL H . . A . 27 PRO HG3 . . . 35 . HN . . . . . 34 . HG# . . rr_1nct 1 73 1 . . 1 1 43 43 VAL H H . . . 1 1 42 42 PRO HA H . . . . . 3.2 0.7 3.35 . . . . . A . 28 VAL H . . A . 27 PRO HA . . . 35 . HN . . . . . 34 . HA . . rr_1nct 1 74 1 OR . 1 1 43 43 VAL MG1 H . . . 1 1 44 44 PRO HD3 H . . . . . 5.5 3.0 5.65 . . . . . A . 28 VAL MG1 . . A . 29 PRO HD3 . . . 35 . HG1# . . . . . 36 . HD# . . rr_1nct 1 74 2 OR . 1 1 44 44 PRO HD2 H . . . 1 1 43 43 VAL MG1 H . . . . . 5.5 3.0 5.65 . . . . . A . 29 PRO HD2 . . A . 28 VAL MG1 . . . 36 . HD# . . . . . 35 . HG1# . . rr_1nct 1 75 1 OR . 1 1 43 43 VAL MG2 H . . . 1 1 44 44 PRO HD3 H . . . . . 4.7 2.2 4.85 . . . . . A . 28 VAL MG2 . . A . 29 PRO HD3 . . . 35 . HG2# . . . . . 36 . HD# . . rr_1nct 1 75 2 OR . 1 1 44 44 PRO HD2 H . . . 1 1 43 43 VAL MG2 H . . . . . 4.7 2.2 4.85 . . . . . A . 29 PRO HD2 . . A . 28 VAL MG2 . . . 36 . HD# . . . . . 35 . HG2# . . rr_1nct 1 76 1 . . 1 1 45 45 THR H H . . . 1 1 44 44 PRO HB2 H . . . . . 3.0 0.5 3.15 . . . . . A . 30 THR H . . A . 29 PRO HB2 . . . 37 . HN . . . . . 36 . HB2 . . rr_1nct 1 77 1 . . 1 1 45 45 THR H H . . . 1 1 44 44 PRO HB3 H . . . . . 3.3 0.8 3.45 . . . . . A . 30 THR H . . A . 29 PRO HB3 . . . 37 . HN . . . . . 36 . HB1 . . rr_1nct 1 78 1 . . 1 1 45 45 THR H H . . . 1 1 44 44 PRO HA H . . . . . 2.7 0.2 2.85 . . . . . A . 30 THR H . . A . 29 PRO HA . . . 37 . HN . . . . . 36 . HA . . rr_1nct 1 79 1 . . 1 1 46 46 VAL H H . . . 1 1 45 45 THR HB H . . . . . 3.6 1.1 3.75 . . . . . A . 31 VAL H . . A . 30 THR HB . . . 38 . HN . . . . . 37 . HB . . rr_1nct 1 80 1 . . 1 1 46 46 VAL H H . . . 1 1 45 45 THR HA H . . . . . 3.2 0.7 3.35 . . . . . A . 31 VAL H . . A . 30 THR HA . . . 38 . HN . . . . . 37 . HA . . rr_1nct 1 81 1 . . 1 1 46 46 VAL H H . . . 1 1 45 45 THR MG H . . . . . 4.3 1.8 4.45 . . . . . A . 31 VAL H . . A . 30 THR MG . . . 38 . HN . . . . . 37 . HG2# . . rr_1nct 1 82 1 . . 1 1 47 47 THR H H . . . 1 1 46 46 VAL MG1 H . . . . . 4.4 1.9 4.55 . . . . . A . 32 THR H . . A . 31 VAL MG1 . . . 39 . HN . . . . . 38 . HG1# . . rr_1nct 1 83 1 . . 1 1 47 47 THR H H . . . 1 1 46 46 VAL MG2 H . . . . . 4.6 2.1 4.75 . . . . . A . 32 THR H . . A . 31 VAL MG2 . . . 39 . HN . . . . . 38 . HG2# . . rr_1nct 1 84 1 . . 1 1 48 48 TRP H H . . . 1 1 47 47 THR HA H . . . . . 3.1 0.6 3.25 . . . . . A . 33 TRP H . . A . 32 THR HA . . . 40 . HN . . . . . 39 . HA . . rr_1nct 1 85 1 . . 1 1 48 48 TRP H H . . . 1 1 47 47 THR HB H . . . . . 4.0 1.5 4.15 . . . . . A . 33 TRP H . . A . 32 THR HB . . . 40 . HN . . . . . 39 . HB . . rr_1nct 1 86 1 . . 1 1 48 48 TRP HA H . . . 1 1 49 49 LEU MD2 H . . . . . 4.0 1.5 4.15 . . . . . A . 33 TRP HA . . A . 34 LEU MD2 . . . 40 . HA . . . . . 41 . HD2# . . rr_1nct 1 87 1 . . 1 1 49 49 LEU H H . . . 1 1 48 48 TRP HB2 H . . . . . 4.7 2.2 4.85 . . . . . A . 34 LEU H . . A . 33 TRP HB2 . . . 41 . HN . . . . . 40 . HB2 . . rr_1nct 1 88 1 . . 1 1 49 49 LEU H H . . . 1 1 48 48 TRP HB3 H . . . . . 4.2 1.7 4.35 . . . . . A . 34 LEU H . . A . 33 TRP HB3 . . . 41 . HN . . . . . 40 . HB1 . . rr_1nct 1 89 1 . . 1 1 48 48 TRP HA H . . . 1 1 49 49 LEU H H . . . . . 3.2 0.7 3.35 . . . . . A . 33 TRP HA . . A . 34 LEU H . . . 40 . HA . . . . . 41 . HN . . rr_1nct 1 90 1 . . 1 1 50 50 ARG H H . . . 1 1 49 49 LEU HA H . . . . . 3.2 0.7 3.35 . . . . . A . 35 ARG H . . A . 34 LEU HA . . . 42 . HN . . . . . 41 . HA . . rr_1nct 1 91 1 OR . 1 1 50 50 ARG H H . . . 1 1 49 49 LEU MD1 H . . . . . 5.5 3.0 5.65 . . . . . A . 35 ARG H . . A . 34 LEU MD1 . . . 42 . HN . . . . . 41 . HD# . . rr_1nct 1 91 2 OR . 1 1 50 50 ARG H H . . . 1 1 49 49 LEU MD2 H . . . . . 5.5 3.0 5.65 . . . . . A . 35 ARG H . . A . 34 LEU MD2 . . . 42 . HN . . . . . 41 . HD# . . rr_1nct 1 92 1 . . 1 1 51 51 LYS H H . . . 1 1 50 50 ARG HA H . . . . . 3.3 0.8 3.45 . . . . . A . 36 LYS H . . A . 35 ARG HA . . . 43 . HN . . . . . 42 . HA . . rr_1nct 1 93 1 . . 1 1 52 52 GLY H H . . . 1 1 51 51 LYS HA H . . . . . 3.4 0.9 3.55 . . . . . A . 37 GLY H . . A . 36 LYS HA . . . 44 . HN . . . . . 43 . HA . . rr_1nct 1 94 1 . . 1 1 52 52 GLY H H . . . 1 1 51 51 LYS HB2 H . . . . . 4.1 1.6 4.25 . . . . . A . 37 GLY H . . A . 36 LYS HB2 . . . 44 . HN . . . . . 43 . HB2 . . rr_1nct 1 95 1 . . 1 1 52 52 GLY H H . . . 1 1 51 51 LYS HB3 H . . . . . 4.5 2.0 4.65 . . . . . A . 37 GLY H . . A . 36 LYS HB3 . . . 44 . HN . . . . . 43 . HB1 . . rr_1nct 1 96 1 . . 1 1 53 53 GLN H H . . . 1 1 52 52 GLY HA3 H . . . . . 3.6 1.1 3.75 . . . . . A . 38 GLN H . . A . 37 GLY HA3 . . . 45 . HN . . . . . 44 . HA1 . . rr_1nct 1 97 1 . . 1 1 53 53 GLN H H . . . 1 1 52 52 GLY HA2 H . . . . . 3.3 0.8 3.45 . . . . . A . 38 GLN H . . A . 37 GLY HA2 . . . 45 . HN . . . . . 44 . HA2 . . rr_1nct 1 98 1 . . 1 1 53 53 GLN H H . . . 1 1 54 54 VAL MG1 H . . . . . 6.2 3.7 6.35 . . . . . A . 38 GLN H . . A . 39 VAL MG1 . . . 45 . HN . . . . . 46 . HG1# . . rr_1nct 1 99 1 . . 1 1 54 54 VAL H H . . . 1 1 53 53 GLN HA H . . . . . 3.2 0.7 3.35 . . . . . A . 39 VAL H . . A . 38 GLN HA . . . 46 . HN . . . . . 45 . HA . . rr_1nct 1 100 1 OR . 1 1 54 54 VAL H H . . . 1 1 53 53 GLN HG2 H . . . . . 4.6 2.1 4.75 . . . . . A . 39 VAL H . . A . 38 GLN HG2 . . . 46 . HN . . . . . 45 . HG# . . rr_1nct 1 100 2 OR . 1 1 54 54 VAL H H . . . 1 1 53 53 GLN HG3 H . . . . . 4.6 2.1 4.75 . . . . . A . 39 VAL H . . A . 38 GLN HG3 . . . 46 . HN . . . . . 45 . HG# . . rr_1nct 1 101 1 . . 1 1 54 54 VAL HA H . . . 1 1 55 55 LEU MD1 H . . . . . 4.5 2.0 4.65 . . . . . A . 39 VAL HA . . A . 40 LEU MD1 . . . 46 . HA . . . . . 47 . HD1# . . rr_1nct 1 102 1 . . 1 1 54 54 VAL HA H . . . 1 1 55 55 LEU H H . . . . . 3.0 0.5 3.15 . . . . . A . 39 VAL HA . . A . 40 LEU H . . . 46 . HA . . . . . 47 . HN . . rr_1nct 1 103 1 . . 1 1 55 55 LEU H H . . . 1 1 54 54 VAL HB H . . . . . 4.2 1.7 4.35 . . . . . A . 40 LEU H . . A . 39 VAL HB . . . 47 . HN . . . . . 46 . HB . . rr_1nct 1 104 1 . . 1 1 56 56 SER H H . . . 1 1 55 55 LEU HG H . . . . . 5.2 2.7 5.35 . . . . . A . 41 SER H . . A . 40 LEU HG . . . 48 . HN . . . . . 47 . HG . . rr_1nct 1 105 1 . . 1 1 55 55 LEU MD1 H . . . 1 1 56 56 SER H H . . . . . 5.3 2.8 5.45 . . . . . A . 40 LEU MD1 . . A . 41 SER H . . . 47 . HD1# . . . . . 48 . HN . . rr_1nct 1 106 1 OR . 1 1 56 56 SER H H . . . 1 1 55 55 LEU HB2 H . . . . . 4.4 1.9 4.55 . . . . . A . 41 SER H . . A . 40 LEU HB2 . . . 48 . HN . . . . . 47 . HB# . . rr_1nct 1 106 2 OR . 1 1 56 56 SER H H . . . 1 1 55 55 LEU HB3 H . . . . . 4.4 1.9 4.55 . . . . . A . 41 SER H . . A . 40 LEU HB3 . . . 48 . HN . . . . . 47 . HB# . . rr_1nct 1 107 1 . . 1 1 56 56 SER H H . . . 1 1 55 55 LEU HA H . . . . . 3.3 0.8 3.45 . . . . . A . 41 SER H . . A . 40 LEU HA . . . 48 . HN . . . . . 47 . HA . . rr_1nct 1 108 1 . . 1 1 56 56 SER H H . . . 1 1 55 55 LEU MD2 H . . . . . 5.5 3.0 5.65 . . . . . A . 41 SER H . . A . 40 LEU MD2 . . . 48 . HN . . . . . 47 . HD2# . . rr_1nct 1 109 1 . . 1 1 57 57 THR H H . . . 1 1 56 56 SER HA H . . . . . 3.1 0.6 3.25 . . . . . A . 42 THR H . . A . 41 SER HA . . . 49 . HN . . . . . 48 . HA . . rr_1nct 1 110 1 OR . 1 1 57 57 THR H H . . . 1 1 56 56 SER HB2 H . . . . . 4.0 1.5 4.15 . . . . . A . 42 THR H . . A . 41 SER HB2 . . . 49 . HN . . . . . 48 . HB# . . rr_1nct 1 110 2 OR . 1 1 57 57 THR H H . . . 1 1 56 56 SER HB3 H . . . . . 4.0 1.5 4.15 . . . . . A . 42 THR H . . A . 41 SER HB3 . . . 49 . HN . . . . . 48 . HB# . . rr_1nct 1 111 1 . . 1 1 58 58 SER H H . . . 1 1 57 57 THR HA H . . . . . 3.4 0.9 3.55 . . . . . A . 43 SER H . . A . 42 THR HA . . . 50 . HN . . . . . 49 . HA . . rr_1nct 1 112 1 . . 1 1 58 58 SER H H . . . 1 1 57 57 THR MG H . . . . . 5.0 2.5 5.15 . . . . . A . 43 SER H . . A . 42 THR MG . . . 50 . HN . . . . . 49 . HG2# . . rr_1nct 1 113 1 . . 1 1 59 59 ALA H H . . . 1 1 58 58 SER HA H . . . . . 3.4 0.9 3.55 . . . . . A . 44 ALA H . . A . 43 SER HA . . . 51 . HN . . . . . 50 . HA . . rr_1nct 1 114 1 OR . 1 1 60 60 ARG H H . . . 1 1 61 61 HIS HB3 H . . . . . 5.3 2.8 5.45 . . . . . A . 45 ARG H . . A . 46 HIS HB3 . . . 52 . HN . . . . . 53 . HB# . . rr_1nct 1 114 2 OR . 1 1 60 60 ARG H H . . . 1 1 61 61 HIS HB2 H . . . . . 5.3 2.8 5.45 . . . . . A . 45 ARG H . . A . 46 HIS HB2 . . . 52 . HN . . . . . 53 . HB# . . rr_1nct 1 115 1 . . 1 1 60 60 ARG H H . . . 1 1 59 59 ALA HA H . . . . . 3.3 0.8 3.45 . . . . . A . 45 ARG H . . A . 44 ALA HA . . . 52 . HN . . . . . 51 . HA . . rr_1nct 1 116 1 . . 1 1 60 60 ARG H H . . . 1 1 61 61 HIS HA H . . . . . 5.0 2.5 5.15 . . . . . A . 45 ARG H . . A . 46 HIS HA . . . 52 . HN . . . . . 53 . HA . . rr_1nct 1 117 1 . . 1 1 61 61 HIS H H . . . 1 1 60 60 ARG HA H . . . . . 3.3 0.8 3.45 . . . . . A . 46 HIS H . . A . 45 ARG HA . . . 53 . HN . . . . . 52 . HA . . rr_1nct 1 118 1 OR . 1 1 61 61 HIS H H . . . 1 1 60 60 ARG HB2 H . . . . . 4.2 1.7 4.35 . . . . . A . 46 HIS H . . A . 45 ARG HB2 . . . 53 . HN . . . . . 52 . HB# . . rr_1nct 1 118 2 OR . 1 1 61 61 HIS H H . . . 1 1 60 60 ARG HB3 H . . . . . 4.2 1.7 4.35 . . . . . A . 46 HIS H . . A . 45 ARG HB3 . . . 53 . HN . . . . . 52 . HB# . . rr_1nct 1 119 1 OR . 1 1 61 61 HIS H H . . . 1 1 60 60 ARG HG2 H . . . . . 4.0 1.5 4.15 . . . . . A . 46 HIS H . . A . 45 ARG HG2 . . . 53 . HN . . . . . 52 . HG# . . rr_1nct 1 119 2 OR . 1 1 61 61 HIS H H . . . 1 1 60 60 ARG HG3 H . . . . . 4.0 1.5 4.15 . . . . . A . 46 HIS H . . A . 45 ARG HG3 . . . 53 . HN . . . . . 52 . HG# . . rr_1nct 1 120 1 . . 1 1 61 61 HIS HA H . . . 1 1 62 62 GLN H H . . . . . 2.8 0.3 2.95 . . . . . A . 46 HIS HA . . A . 47 GLN H . . . 53 . HA . . . . . 54 . HN . . rr_1nct 1 121 1 . . 1 1 62 62 GLN H H . . . 1 1 61 61 HIS HB3 H . . . . . 3.6 1.1 3.75 . . . . . A . 47 GLN H . . A . 46 HIS HB3 . . . 54 . HN . . . . . 53 . HB1 . . rr_1nct 1 122 1 . . 1 1 61 61 HIS HB2 H . . . 1 1 62 62 GLN H H . . . . . 3.3 0.8 3.45 . . . . . A . 46 HIS HB2 . . A . 47 GLN H . . . 53 . HB2 . . . . . 54 . HN . . rr_1nct 1 123 1 OR . 1 1 63 63 VAL H H . . . 1 1 62 62 GLN HG2 H . . . . . 4.8 2.3 4.95 . . . . . A . 48 VAL H . . A . 47 GLN HG2 . . . 55 . HN . . . . . 54 . HG# . . rr_1nct 1 123 2 OR . 1 1 63 63 VAL H H . . . 1 1 62 62 GLN HG3 H . . . . . 4.8 2.3 4.95 . . . . . A . 48 VAL H . . A . 47 GLN HG3 . . . 55 . HN . . . . . 54 . HG# . . rr_1nct 1 124 1 . . 1 1 64 64 THR H H . . . 1 1 63 63 VAL MG2 H . . . . . 4.7 2.2 4.85 . . . . . A . 49 THR H . . A . 48 VAL MG2 . . . 56 . HN . . . . . 55 . HG2# . . rr_1nct 1 125 1 . . 1 1 64 64 THR H H . . . 1 1 63 63 VAL HB H . . . . . 3.9 1.4 4.05 . . . . . A . 49 THR H . . A . 48 VAL HB . . . 56 . HN . . . . . 55 . HB . . rr_1nct 1 126 1 . . 1 1 64 64 THR H H . . . 1 1 63 63 VAL MG1 H . . . . . 4.4 1.9 4.55 . . . . . A . 49 THR H . . A . 48 VAL MG1 . . . 56 . HN . . . . . 55 . HG1# . . rr_1nct 1 127 1 . . 1 1 64 64 THR H H . . . 1 1 63 63 VAL HA H . . . . . 3.1 0.6 3.25 . . . . . A . 49 THR H . . A . 48 VAL HA . . . 56 . HN . . . . . 55 . HA . . rr_1nct 1 128 1 . . 1 1 65 65 THR H H . . . 1 1 64 64 THR HA H . . . . . 2.6 0.1 2.75 . . . . . A . 50 THR H . . A . 49 THR HA . . . 57 . HN . . . . . 56 . HA . . rr_1nct 1 129 1 . . 1 1 66 66 THR H H . . . 1 1 65 65 THR HA H . . . . . 2.8 0.3 2.95 . . . . . A . 51 THR H . . A . 50 THR HA . . . 58 . HN . . . . . 57 . HA . . rr_1nct 1 130 1 . . 1 1 66 66 THR H H . . . 1 1 65 65 THR HB H . . . . . 3.9 1.4 4.05 . . . . . A . 51 THR H . . A . 50 THR HB . . . 58 . HN . . . . . 57 . HB . . rr_1nct 1 131 1 . . 1 1 67 67 LYS H H . . . 1 1 66 66 THR HB H . . . . . 3.9 1.4 4.05 . . . . . A . 52 LYS H . . A . 51 THR HB . . . 59 . HN . . . . . 58 . HB . . rr_1nct 1 132 1 . . 1 1 67 67 LYS H H . . . 1 1 66 66 THR HA H . . . . . 3.2 0.7 3.35 . . . . . A . 52 LYS H . . A . 51 THR HA . . . 59 . HN . . . . . 58 . HA . . rr_1nct 1 133 1 . . 1 1 68 68 TYR H H . . . 1 1 67 67 LYS HB2 H . . . . . 2.6 0.1 2.75 . . . . . A . 53 TYR H . . A . 52 LYS HB2 . . . 60 . HN . . . . . 59 . HB2 . . rr_1nct 1 134 1 . . 1 1 68 68 TYR H H . . . 1 1 67 67 LYS HB3 H . . . . . 2.9 0.4 3.05 . . . . . A . 53 TYR H . . A . 52 LYS HB3 . . . 60 . HN . . . . . 59 . HB1 . . rr_1nct 1 135 1 OR . 1 1 68 68 TYR H H . . . 1 1 67 67 LYS HG2 H . . . . . 4.2 1.7 4.35 . . . . . A . 53 TYR H . . A . 52 LYS HG2 . . . 60 . HN . . . . . 59 . HG# . . rr_1nct 1 135 2 OR . 1 1 68 68 TYR H H . . . 1 1 67 67 LYS HG3 H . . . . . 4.2 1.7 4.35 . . . . . A . 53 TYR H . . A . 52 LYS HG3 . . . 60 . HN . . . . . 59 . HG# . . rr_1nct 1 136 1 . . 1 1 68 68 TYR H H . . . 1 1 67 67 LYS HA H . . . . . 3.5 1.0 3.65 . . . . . A . 53 TYR H . . A . 52 LYS HA . . . 60 . HN . . . . . 59 . HA . . rr_1nct 1 137 1 . . 1 1 69 69 LYS H H . . . 1 1 68 68 TYR HA H . . . . . 3.0 0.5 3.15 . . . . . A . 54 LYS H . . A . 53 TYR HA . . . 61 . HN . . . . . 60 . HA . . rr_1nct 1 138 1 . . 1 1 69 69 LYS H H . . . 1 1 68 68 TYR HB2 H . . . . . 3.7 1.2 3.85 . . . . . A . 54 LYS H . . A . 53 TYR HB2 . . . 61 . HN . . . . . 60 . HB2 . . rr_1nct 1 139 1 . . 1 1 69 69 LYS H H . . . 1 1 68 68 TYR HB3 H . . . . . 4.2 1.7 4.35 . . . . . A . 54 LYS H . . A . 53 TYR HB3 . . . 61 . HN . . . . . 60 . HB1 . . rr_1nct 1 140 1 OR . 1 1 70 70 SER H H . . . 1 1 69 69 LYS HB2 H . . . . . 4.3 1.8 4.45 . . . . . A . 55 SER H . . A . 54 LYS HB2 . . . 62 . HN . . . . . 61 . HB# . . rr_1nct 1 140 2 OR . 1 1 70 70 SER H H . . . 1 1 69 69 LYS HB3 H . . . . . 4.3 1.8 4.45 . . . . . A . 55 SER H . . A . 54 LYS HB3 . . . 62 . HN . . . . . 61 . HB# . . rr_1nct 1 141 1 . . 1 1 70 70 SER H H . . . 1 1 69 69 LYS HA H . . . . . 3.0 0.5 3.15 . . . . . A . 55 SER H . . A . 54 LYS HA . . . 62 . HN . . . . . 61 . HA . . rr_1nct 1 142 1 . . 1 1 70 70 SER HA H . . . 1 1 71 71 THR MG H . . . . . 4.5 2.0 4.65 . . . . . A . 55 SER HA . . A . 56 THR MG . . . 62 . HA . . . . . 63 . HG2# . . rr_1nct 1 143 1 . . 1 1 70 70 SER HA H . . . 1 1 71 71 THR H H . . . . . 2.9 0.4 3.05 . . . . . A . 55 SER HA . . A . 56 THR H . . . 62 . HA . . . . . 63 . HN . . rr_1nct 1 144 1 . . 1 1 71 71 THR H H . . . 1 1 70 70 SER HG H . . . . . 3.8 1.3 3.95 . . . . . A . 56 THR H . . A . 55 SER HG . . . 63 . HN . . . . . 62 . HG . . rr_1nct 1 145 1 . . 1 1 71 71 THR H H . . . 1 1 70 70 SER HB3 H . . . . . 5.0 2.5 5.15 . . . . . A . 56 THR H . . A . 55 SER HB3 . . . 63 . HN . . . . . 62 . HB1 . . rr_1nct 1 146 1 . . 1 1 71 71 THR MG H . . . 1 1 72 72 PHE H H . . . . . 4.8 2.3 4.95 . . . . . A . 56 THR MG . . A . 57 PHE H . . . 63 . HG2# . . . . . 64 . HN . . rr_1nct 1 147 1 . . 1 1 72 72 PHE H H . . . 1 1 71 71 THR HA H . . . . . 2.8 0.3 2.95 . . . . . A . 57 PHE H . . A . 56 THR HA . . . 64 . HN . . . . . 63 . HA . . rr_1nct 1 148 1 . . 1 1 72 72 PHE H H . . . 1 1 71 71 THR HB H . . . . . 3.3 0.8 3.45 . . . . . A . 57 PHE H . . A . 56 THR HB . . . 64 . HN . . . . . 63 . HB . . rr_1nct 1 149 1 . . 1 1 71 71 THR MG H . . . 1 1 72 72 PHE HA H . . . . . 6.3 3.8 6.45 . . . . . A . 56 THR MG . . A . 57 PHE HA . . . 63 . HG2# . . . . . 64 . HA . . rr_1nct 1 150 1 . . 1 1 72 72 PHE HA H . . . 1 1 73 73 GLU H H . . . . . 2.8 0.3 2.95 . . . . . A . 57 PHE HA . . A . 58 GLU H . . . 64 . HA . . . . . 65 . HN . . rr_1nct 1 151 1 . . 1 1 74 74 ILE H H . . . 1 1 73 73 GLU HA H . . . . . 2.8 0.3 2.95 . . . . . A . 59 ILE H . . A . 58 GLU HA . . . 66 . HN . . . . . 65 . HA . . rr_1nct 1 152 1 . . 1 1 75 75 SER H H . . . 1 1 74 74 ILE HB H . . . . . 3.7 1.2 3.85 . . . . . A . 60 SER H . . A . 59 ILE HB . . . 67 . HN . . . . . 66 . HB . . rr_1nct 1 153 1 . . 1 1 76 76 SER H H . . . 1 1 75 75 SER HB2 H . . . . . 3.6 1.1 3.75 . . . . . A . 61 SER H . . A . 60 SER HB2 . . . 68 . HN . . . . . 67 . HB2 . . rr_1nct 1 154 1 . . 1 1 77 77 VAL H H . . . 1 1 76 76 SER HB3 H . . . . . 3.2 0.7 3.35 . . . . . A . 62 VAL H . . A . 61 SER HB3 . . . 69 . HN . . . . . 68 . HB1 . . rr_1nct 1 155 1 . . 1 1 77 77 VAL HA H . . . 1 1 74 74 ILE MG H . . . . . 5.5 3.0 5.65 . . . . . A . 62 VAL HA . . A . 59 ILE MG . . . 69 . HA . . . . . 66 . HG2# . . rr_1nct 1 156 1 . . 1 1 77 77 VAL HA H . . . 1 1 78 78 GLN H H . . . . . 2.9 0.4 3.05 . . . . . A . 62 VAL HA . . A . 63 GLN H . . . 69 . HA . . . . . 70 . HN . . rr_1nct 1 157 1 . . 1 1 79 79 ALA H H . . . 1 1 78 78 GLN HB3 H . . . . . 3.9 1.4 4.05 . . . . . A . 64 ALA H . . A . 63 GLN HB3 . . . 71 . HN . . . . . 70 . HB1 . . rr_1nct 1 158 1 . . 1 1 79 79 ALA H H . . . 1 1 78 78 GLN HB2 H . . . . . 3.0 0.5 3.15 . . . . . A . 64 ALA H . . A . 63 GLN HB2 . . . 71 . HN . . . . . 70 . HB2 . . rr_1nct 1 159 1 . . 1 1 80 80 SER H H . . . 1 1 79 79 ALA MB H . . . . . 4.1 1.6 4.25 . . . . . A . 65 SER H . . A . 64 ALA MB . . . 72 . HN . . . . . 71 . HB# . . rr_1nct 1 160 1 . . 1 1 80 80 SER H H . . . 1 1 79 79 ALA HA H . . . . . 3.1 0.6 3.25 . . . . . A . 65 SER H . . A . 64 ALA HA . . . 72 . HN . . . . . 71 . HA . . rr_1nct 1 161 1 OR . 1 1 81 81 ASP H H . . . 1 1 80 80 SER HB2 H . . . . . 4.2 1.7 4.35 . . . . . A . 66 ASP H . . A . 65 SER HB2 . . . 73 . HN . . . . . 72 . HB# . . rr_1nct 1 161 2 OR . 1 1 81 81 ASP H H . . . 1 1 80 80 SER HB3 H . . . . . 4.2 1.7 4.35 . . . . . A . 66 ASP H . . A . 65 SER HB3 . . . 73 . HN . . . . . 72 . HB# . . rr_1nct 1 162 1 . . 1 1 81 81 ASP H H . . . 1 1 80 80 SER HA H . . . . . 3.2 0.7 3.35 . . . . . A . 66 ASP H . . A . 65 SER HA . . . 73 . HN . . . . . 72 . HA . . rr_1nct 1 163 1 OR . 1 1 81 81 ASP H H . . . 1 1 82 82 GLU HG2 H . . . . . 6.0 3.5 6.15 . . . . . A . 66 ASP H . . A . 67 GLU HG2 . . . 73 . HN . . . . . 74 . HG# . . rr_1nct 1 163 2 OR . 1 1 81 81 ASP H H . . . 1 1 82 82 GLU HG3 H . . . . . 6.0 3.5 6.15 . . . . . A . 66 ASP H . . A . 67 GLU HG3 . . . 73 . HN . . . . . 74 . HG# . . rr_1nct 1 164 1 . . 1 1 81 81 ASP H H . . . 1 1 82 82 GLU HA H . . . . . 5.0 2.5 5.15 . . . . . A . 66 ASP H . . A . 67 GLU HA . . . 73 . HN . . . . . 74 . HA . . rr_1nct 1 165 1 . . 1 1 82 82 GLU H H . . . 1 1 81 81 ASP HA H . . . . . 3.3 0.8 3.45 . . . . . A . 67 GLU H . . A . 66 ASP HA . . . 74 . HN . . . . . 73 . HA . . rr_1nct 1 166 1 . . 1 1 82 82 GLU H H . . . 1 1 81 81 ASP HB3 H . . . . . 3.8 1.3 3.95 . . . . . A . 67 GLU H . . A . 66 ASP HB3 . . . 74 . HN . . . . . 73 . HB1 . . rr_1nct 1 167 1 . . 1 1 82 82 GLU HA H . . . 1 1 104 104 ILE MD H . . . . . 4.3 1.8 4.45 . . . . . A . 67 GLU HA . . A . 89 ILE MD . . . 74 . HA . . . . . 96 . HD1# . . rr_1nct 1 168 1 . . 1 1 83 83 GLY H H . . . 1 1 82 82 GLU HG2 H . . . . . 3.1 0.6 3.25 . . . . . A . 68 GLY H . . A . 67 GLU HG2 . . . 75 . HN . . . . . 74 . HG2 . . rr_1nct 1 169 1 . . 1 1 82 82 GLU HG3 H . . . 1 1 83 83 GLY H H . . . . . 3.4 0.9 3.55 . . . . . A . 67 GLU HG3 . . A . 68 GLY H . . . 74 . HG1 . . . . . 75 . HN . . rr_1nct 1 170 1 . . 1 1 82 82 GLU HA H . . . 1 1 83 83 GLY H H . . . . . 3.4 0.9 3.55 . . . . . A . 67 GLU HA . . A . 68 GLY H . . . 74 . HA . . . . . 75 . HN . . rr_1nct 1 171 1 OR . 1 1 83 83 GLY H H . . . 1 1 82 82 GLU HB2 H . . . . . 4.1 1.6 4.25 . . . . . A . 68 GLY H . . A . 67 GLU HB2 . . . 75 . HN . . . . . 74 . HB# . . rr_1nct 1 171 2 OR . 1 1 83 83 GLY H H . . . 1 1 82 82 GLU HB3 H . . . . . 4.1 1.6 4.25 . . . . . A . 68 GLY H . . A . 67 GLU HB3 . . . 75 . HN . . . . . 74 . HB# . . rr_1nct 1 172 1 . . 1 1 84 84 ASN H H . . . 1 1 83 83 GLY HA3 H . . . . . 3.0 0.5 3.15 . . . . . A . 69 ASN H . . A . 68 GLY HA3 . . . 76 . HN . . . . . 75 . HA1 . . rr_1nct 1 173 1 . . 1 1 84 84 ASN H H . . . 1 1 83 83 GLY HA2 H . . . . . 3.3 0.8 3.45 . . . . . A . 69 ASN H . . A . 68 GLY HA2 . . . 76 . HN . . . . . 75 . HA2 . . rr_1nct 1 174 1 . . 1 1 85 85 TYR H H . . . 1 1 84 84 ASN HA H . . . . . 3.0 0.5 3.15 . . . . . A . 70 TYR H . . A . 69 ASN HA . . . 77 . HN . . . . . 76 . HA . . rr_1nct 1 175 1 . . 1 1 85 85 TYR H H . . . 1 1 84 84 ASN HB2 H . . . . . 4.1 1.6 4.25 . . . . . A . 70 TYR H . . A . 69 ASN HB2 . . . 77 . HN . . . . . 76 . HB2 . . rr_1nct 1 176 1 . . 1 1 85 85 TYR H H . . . 1 1 84 84 ASN HB3 H . . . . . 4.4 1.9 4.55 . . . . . A . 70 TYR H . . A . 69 ASN HB3 . . . 77 . HN . . . . . 76 . HB1 . . rr_1nct 1 177 1 . . 1 1 86 86 SER H H . . . 1 1 85 85 TYR HA H . . . . . 2.8 0.3 2.95 . . . . . A . 71 SER H . . A . 70 TYR HA . . . 78 . HN . . . . . 77 . HA . . rr_1nct 1 178 1 OR . 1 1 86 86 SER H H . . . 1 1 85 85 TYR HB2 H . . . . . 4.2 1.7 4.35 . . . . . A . 71 SER H . . A . 70 TYR HB2 . . . 78 . HN . . . . . 77 . HB# . . rr_1nct 1 178 2 OR . 1 1 86 86 SER H H . . . 1 1 85 85 TYR HB3 H . . . . . 4.2 1.7 4.35 . . . . . A . 71 SER H . . A . 70 TYR HB3 . . . 78 . HN . . . . . 77 . HB# . . rr_1nct 1 179 1 . . 1 1 87 87 VAL H H . . . 1 1 86 86 SER HA H . . . . . 2.8 0.3 2.95 . . . . . A . 72 VAL H . . A . 71 SER HA . . . 79 . HN . . . . . 78 . HA . . rr_1nct 1 180 1 . . 1 1 87 87 VAL H H . . . 1 1 88 88 VAL MG1 H . . . . . 4.8 2.3 4.95 . . . . . A . 72 VAL H . . A . 73 VAL MG1 . . . 79 . HN . . . . . 80 . HG1# . . rr_1nct 1 181 1 . . 1 1 87 87 VAL H H . . . 1 1 86 86 SER HB2 H . . . . . 3.1 0.6 3.25 . . . . . A . 72 VAL H . . A . 71 SER HB2 . . . 79 . HN . . . . . 78 . HB2 . . rr_1nct 1 182 1 . . 1 1 87 87 VAL H H . . . 1 1 86 86 SER HB2 H . . . . . 3.4 0.9 3.55 . . . . . A . 72 VAL H . . A . 71 SER HB2 . . . 79 . HN . . . . . 78 . HB2 . . rr_1nct 1 183 1 . . 1 1 88 88 VAL H H . . . 1 1 87 87 VAL HA H . . . . . 3.0 0.5 3.15 . . . . . A . 73 VAL H . . A . 72 VAL HA . . . 80 . HN . . . . . 79 . HA . . rr_1nct 1 184 1 . . 1 1 88 88 VAL H H . . . 1 1 87 87 VAL MG1 H . . . . . 4.9 2.4 5.05 . . . . . A . 73 VAL H . . A . 72 VAL MG1 . . . 80 . HN . . . . . 79 . HG1# . . rr_1nct 1 185 1 . . 1 1 88 88 VAL H H . . . 1 1 87 87 VAL MG2 H . . . . . 4.5 2.0 4.65 . . . . . A . 73 VAL H . . A . 72 VAL MG2 . . . 80 . HN . . . . . 79 . HG2# . . rr_1nct 1 186 1 . . 1 1 89 89 VAL H H . . . 1 1 88 88 VAL HA H . . . . . 2.7 0.2 2.85 . . . . . A . 74 VAL H . . A . 73 VAL HA . . . 81 . HN . . . . . 80 . HA . . rr_1nct 1 187 1 OR . 1 1 91 91 ASN H H . . . 1 1 90 90 GLU HB2 H . . . . . 3.8 1.3 3.95 . . . . . A . 76 ASN H . . A . 75 GLU HB2 . . . 83 . HN . . . . . 82 . HB# . . rr_1nct 1 187 2 OR . 1 1 91 91 ASN H H . . . 1 1 90 90 GLU HB3 H . . . . . 3.8 1.3 3.95 . . . . . A . 76 ASN H . . A . 75 GLU HB3 . . . 83 . HN . . . . . 82 . HB# . . rr_1nct 1 188 1 OR . 1 1 91 91 ASN H H . . . 1 1 90 90 GLU HG2 H . . . . . 4.3 1.8 4.45 . . . . . A . 76 ASN H . . A . 75 GLU HG2 . . . 83 . HN . . . . . 82 . HG# . . rr_1nct 1 188 2 OR . 1 1 91 91 ASN H H . . . 1 1 90 90 GLU HG3 H . . . . . 4.3 1.8 4.45 . . . . . A . 76 ASN H . . A . 75 GLU HG3 . . . 83 . HN . . . . . 82 . HG# . . rr_1nct 1 189 1 . . 1 1 91 91 ASN H H . . . 1 1 90 90 GLU HA H . . . . . 2.7 0.2 2.85 . . . . . A . 76 ASN H . . A . 75 GLU HA . . . 83 . HN . . . . . 82 . HA . . rr_1nct 1 190 1 . . 1 1 92 92 SER H H . . . 1 1 91 91 ASN HA H . . . . . 3.0 0.5 3.15 . . . . . A . 77 SER H . . A . 76 ASN HA . . . 84 . HN . . . . . 83 . HA . . rr_1nct 1 191 1 . . 1 1 92 92 SER H H . . . 1 1 91 91 ASN HB2 H . . . . . 3.5 1.0 3.65 . . . . . A . 77 SER H . . A . 76 ASN HB2 . . . 84 . HN . . . . . 83 . HB2 . . rr_1nct 1 192 1 . . 1 1 92 92 SER H H . . . 1 1 91 91 ASN HB3 H . . . . . 3.2 0.7 3.35 . . . . . A . 77 SER H . . A . 76 ASN HB3 . . . 84 . HN . . . . . 83 . HB1 . . rr_1nct 1 193 1 . . 1 1 93 93 GLU H H . . . 1 1 92 92 SER HA H . . . . . 3.2 0.7 3.35 . . . . . A . 78 GLU H . . A . 77 SER HA . . . 85 . HN . . . . . 84 . HA . . rr_1nct 1 194 1 OR . 1 1 93 93 GLU H H . . . 1 1 92 92 SER HB2 H . . . . . 4.2 1.7 4.35 . . . . . A . 78 GLU H . . A . 77 SER HB2 . . . 85 . HN . . . . . 84 . HB# . . rr_1nct 1 194 2 OR . 1 1 93 93 GLU H H . . . 1 1 92 92 SER HB3 H . . . . . 4.2 1.7 4.35 . . . . . A . 78 GLU H . . A . 77 SER HB3 . . . 85 . HN . . . . . 84 . HB# . . rr_1nct 1 195 1 . . 1 1 94 94 GLY H H . . . 1 1 93 93 GLU HA H . . . . . 3.3 0.8 3.45 . . . . . A . 79 GLY H . . A . 78 GLU HA . . . 86 . HN . . . . . 85 . HA . . rr_1nct 1 196 1 OR . 1 1 94 94 GLY H H . . . 1 1 93 93 GLU HB2 H . . . . . 4.2 1.7 4.35 . . . . . A . 79 GLY H . . A . 78 GLU HB2 . . . 86 . HN . . . . . 85 . HB# . . rr_1nct 1 196 2 OR . 1 1 94 94 GLY H H . . . 1 1 93 93 GLU HB3 H . . . . . 4.2 1.7 4.35 . . . . . A . 79 GLY H . . A . 78 GLU HB3 . . . 86 . HN . . . . . 85 . HB# . . rr_1nct 1 197 1 OR . 1 1 94 94 GLY H H . . . 1 1 93 93 GLU HG2 H . . . . . 3.9 1.4 4.05 . . . . . A . 79 GLY H . . A . 78 GLU HG2 . . . 86 . HN . . . . . 85 . HG# . . rr_1nct 1 197 2 OR . 1 1 94 94 GLY H H . . . 1 1 93 93 GLU HG3 H . . . . . 3.9 1.4 4.05 . . . . . A . 79 GLY H . . A . 78 GLU HG3 . . . 86 . HN . . . . . 85 . HG# . . rr_1nct 1 198 1 OR . 1 1 96 96 GLN H H . . . 1 1 95 95 LYS HD2 H . . . . . 4.6 2.1 4.75 . . . . . A . 81 GLN H . . A . 80 LYS HD2 . . . 88 . HN . . . . . 87 . HD# . . rr_1nct 1 198 2 OR . 1 1 96 96 GLN H H . . . 1 1 95 95 LYS HD3 H . . . . . 4.6 2.1 4.75 . . . . . A . 81 GLN H . . A . 80 LYS HD3 . . . 88 . HN . . . . . 87 . HD# . . rr_1nct 1 199 1 . . 1 1 97 97 GLU H H . . . 1 1 96 96 GLN HG2 H . . . . . 3.1 0.6 3.25 . . . . . A . 82 GLU H . . A . 81 GLN HG2 . . . 89 . HN . . . . . 88 . HG2 . . rr_1nct 1 200 1 . . 1 1 97 97 GLU H H . . . 1 1 96 96 GLN HG3 H . . . . . 3.2 0.7 3.35 . . . . . A . 82 GLU H . . A . 81 GLN HG3 . . . 89 . HN . . . . . 88 . HG1 . . rr_1nct 1 201 1 . . 1 1 97 97 GLU H H . . . 1 1 96 96 GLN HA H . . . . . 2.9 0.4 3.05 . . . . . A . 82 GLU H . . A . 81 GLN HA . . . 89 . HN . . . . . 88 . HA . . rr_1nct 1 202 1 . . 1 1 97 97 GLU HA H . . . 1 1 98 98 ALA MB H . . . . . 5.0 2.5 5.15 . . . . . A . 82 GLU HA . . A . 83 ALA MB . . . 89 . HA . . . . . 90 . HB# . . rr_1nct 1 203 1 . . 1 1 97 97 GLU HA H . . . 1 1 98 98 ALA H H . . . . . 2.9 0.4 3.05 . . . . . A . 82 GLU HA . . A . 83 ALA H . . . 89 . HA . . . . . 90 . HN . . rr_1nct 1 204 1 OR . 1 1 98 98 ALA H H . . . 1 1 97 97 GLU HB2 H . . . . . 4.2 1.7 4.35 . . . . . A . 83 ALA H . . A . 82 GLU HB2 . . . 90 . HN . . . . . 89 . HB# . . rr_1nct 1 204 2 OR . 1 1 98 98 ALA H H . . . 1 1 97 97 GLU HB3 H . . . . . 4.2 1.7 4.35 . . . . . A . 83 ALA H . . A . 82 GLU HB3 . . . 90 . HN . . . . . 89 . HB# . . rr_1nct 1 205 1 OR . 1 1 98 98 ALA H H . . . 1 1 97 97 GLU HG2 H . . . . . 4.1 1.6 4.25 . . . . . A . 83 ALA H . . A . 82 GLU HG2 . . . 90 . HN . . . . . 89 . HG# . . rr_1nct 1 205 2 OR . 1 1 98 98 ALA H H . . . 1 1 97 97 GLU HG3 H . . . . . 4.1 1.6 4.25 . . . . . A . 83 ALA H . . A . 82 GLU HG3 . . . 90 . HN . . . . . 89 . HG# . . rr_1nct 1 206 1 . . 1 1 99 99 GLU H H . . . 1 1 98 98 ALA HA H . . . . . 2.8 0.3 2.95 . . . . . A . 84 GLU H . . A . 83 ALA HA . . . 91 . HN . . . . . 90 . HA . . rr_1nct 1 207 1 . . 1 1 98 98 ALA MB H . . . 1 1 99 99 GLU H H . . . . . 4.3 1.8 4.45 . . . . . A . 83 ALA MB . . A . 84 GLU H . . . 90 . HB# . . . . . 91 . HN . . rr_1nct 1 208 1 OR . 1 1 100 100 PHE H H . . . 1 1 99 99 GLU HG2 H . . . . . 4.7 2.2 4.85 . . . . . A . 85 PHE H . . A . 84 GLU HG2 . . . 92 . HN . . . . . 91 . HG# . . rr_1nct 1 208 2 OR . 1 1 100 100 PHE H H . . . 1 1 99 99 GLU HG3 H . . . . . 4.7 2.2 4.85 . . . . . A . 85 PHE H . . A . 84 GLU HG3 . . . 92 . HN . . . . . 91 . HG# . . rr_1nct 1 209 1 OR . 1 1 100 100 PHE H H . . . 1 1 99 99 GLU HB2 H . . . . . 4.2 1.7 4.35 . . . . . A . 85 PHE H . . A . 84 GLU HB2 . . . 92 . HN . . . . . 91 . HB# . . rr_1nct 1 209 2 OR . 1 1 100 100 PHE H H . . . 1 1 99 99 GLU HB3 H . . . . . 4.2 1.7 4.35 . . . . . A . 85 PHE H . . A . 84 GLU HB3 . . . 92 . HN . . . . . 91 . HB# . . rr_1nct 1 210 1 . . 1 1 100 100 PHE H H . . . 1 1 99 99 GLU HA H . . . . . 3.0 0.5 3.15 . . . . . A . 85 PHE H . . A . 84 GLU HA . . . 92 . HN . . . . . 91 . HA . . rr_1nct 1 211 1 . . 1 1 101 101 THR H H . . . 1 1 100 100 PHE HB2 H . . . . . 3.2 0.7 3.35 . . . . . A . 86 THR H . . A . 85 PHE HB2 . . . 93 . HN . . . . . 92 . HB2 . . rr_1nct 1 212 1 . . 1 1 101 101 THR H H . . . 1 1 100 100 PHE HB3 H . . . . . 4.0 1.5 4.15 . . . . . A . 86 THR H . . A . 85 PHE HB3 . . . 93 . HN . . . . . 92 . HB1 . . rr_1nct 1 213 1 . . 1 1 101 101 THR H H . . . 1 1 100 100 PHE HA H . . . . . 3.0 0.5 3.15 . . . . . A . 86 THR H . . A . 85 PHE HA . . . 93 . HN . . . . . 92 . HA . . rr_1nct 1 214 1 . . 1 1 102 102 LEU H H . . . 1 1 101 101 THR HA H . . . . . 3.0 0.5 3.15 . . . . . A . 87 LEU H . . A . 86 THR HA . . . 94 . HN . . . . . 93 . HA . . rr_1nct 1 215 1 . . 1 1 102 102 LEU H H . . . 1 1 101 101 THR HB H . . . . . 3.8 1.3 3.95 . . . . . A . 87 LEU H . . A . 86 THR HB . . . 94 . HN . . . . . 93 . HB . . rr_1nct 1 216 1 OR . 1 1 103 103 THR H H . . . 1 1 102 102 LEU HB2 H . . . . . 4.4 1.9 4.55 . . . . . A . 88 THR H . . A . 87 LEU HB2 . . . 95 . HN . . . . . 94 . HB# . . rr_1nct 1 216 2 OR . 1 1 103 103 THR H H . . . 1 1 102 102 LEU HB3 H . . . . . 4.4 1.9 4.55 . . . . . A . 88 THR H . . A . 87 LEU HB3 . . . 95 . HN . . . . . 94 . HB# . . rr_1nct 1 217 1 . . 1 1 103 103 THR H H . . . 1 1 102 102 LEU MD1 H . . . . . 4.4 1.9 4.55 . . . . . A . 88 THR H . . A . 87 LEU MD1 . . . 95 . HN . . . . . 94 . HD1# . . rr_1nct 1 218 1 . . 1 1 103 103 THR H H . . . 1 1 102 102 LEU HG H . . . . . 4.7 2.2 4.85 . . . . . A . 88 THR H . . A . 87 LEU HG . . . 95 . HN . . . . . 94 . HG . . rr_1nct 1 219 1 . . 1 1 103 103 THR HA H . . . 1 1 104 104 ILE MG H . . . . . 4.3 1.8 4.45 . . . . . A . 88 THR HA . . A . 89 ILE MG . . . 95 . HA . . . . . 96 . HG2# . . rr_1nct 1 220 1 . . 1 1 104 104 ILE H H . . . 1 1 103 103 THR HB H . . . . . 3.6 1.1 3.75 . . . . . A . 89 ILE H . . A . 88 THR HB . . . 96 . HN . . . . . 95 . HB . . rr_1nct 1 221 1 . . 1 1 103 103 THR HA H . . . 1 1 104 104 ILE H H . . . . . 3.0 0.5 3.15 . . . . . A . 88 THR HA . . A . 89 ILE H . . . 95 . HA . . . . . 96 . HN . . rr_1nct 1 222 1 . . 1 1 104 104 ILE MG H . . . 1 1 105 105 GLN H H . . . . . 5.0 2.5 5.15 . . . . . A . 89 ILE MG . . A . 90 GLN H . . . 96 . HG2# . . . . . 97 . HN . . rr_1nct 1 223 1 . . 1 1 104 104 ILE MD H . . . 1 1 105 105 GLN H H . . . . . 4.6 2.1 4.75 . . . . . A . 89 ILE MD . . A . 90 GLN H . . . 96 . HD1# . . . . . 97 . HN . . rr_1nct 1 224 1 . . 1 1 105 105 GLN H H . . . 1 1 104 104 ILE HA H . . . . . 3.2 0.7 3.35 . . . . . A . 90 GLN H . . A . 89 ILE HA . . . 97 . HN . . . . . 96 . HA . . rr_1nct 1 225 1 . . 1 1 106 106 LYS H H . . . 1 1 105 105 GLN HA H . . . . . 2.5 0.0 2.65 . . . . . A . 91 LYS H . . A . 90 GLN HA . . . 98 . HN . . . . . 97 . HA . . rr_1nct 1 226 1 . . 1 1 9 9 SER HA H . . . 1 1 9 9 SER H H . . . . . 2.5 0.0 2.65 . . . . . . . . . . . . . . . . . . . . 1 . HA . . . . . 1 . HN . . rr_1nct 1 227 1 OR . 1 1 9 9 SER H H . . . 1 1 9 9 SER HB2 H . . . . . 3.6 1.1 3.75 . . . . . . . . . . . . . . . . . . . . 1 . HN . . . . . 1 . HB# . . rr_1nct 1 227 2 OR . 1 1 9 9 SER HB3 H . . . 1 1 9 9 SER H H . . . . . 3.6 1.1 3.75 . . . . . . . . . . . . . . . . . . . . 1 . HB# . . . . . 1 . HN . . rr_1nct 1 228 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HD2 H . . . . . 3.9 1.4 4.05 . . . . . . . . . . . . . . . . . . . . 2 . HN . . . . . 2 . HD# . . rr_1nct 1 228 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HD3 H . . . . . 3.9 1.4 4.05 . . . . . . . . . . . . . . . . . . . . 2 . HN . . . . . 2 . HD# . . rr_1nct 1 229 1 . . 1 1 11 11 THR HA H . . . 1 1 11 11 THR MG H . . . . . 3.6 1.1 3.75 . . . . . . . . . . . . . . . . . . . . 3 . HA . . . . . 3 . HG2# . . rr_1nct 1 230 1 . . 1 1 12 12 THR MG H . . . 1 1 12 12 THR H H . . . . . 4.4 1.9 4.55 . . . . . . . . . . . . . . . . . . . . 4 . HG2# . . . . . 4 . HN . . rr_1nct 1 231 1 . . 1 1 12 12 THR MG H . . . 1 1 12 12 THR HA H . . . . . 4.5 2.0 4.65 . . . . . . . . . . . . . . . . . . . . 4 . HG2# . . . . . 4 . HA . . rr_1nct 1 232 1 . . 1 1 13 13 LEU H H . . . 1 1 13 13 LEU MD1 H . . . . . 5.0 2.5 5.15 . . . . . . . . . . . . . . . . . . . . 5 . HN . . . . . 5 . HD1# . . rr_1nct 1 233 1 . . 1 1 13 13 LEU H H . . . 1 1 13 13 LEU MD2 H . . . . . 4.7 2.2 4.85 . . . . . . . . . . . . . . . . . . . . 5 . HN . . . . . 5 . HD2# . . rr_1nct 1 234 1 . . 1 1 17 17 ILE H H . . . 1 1 17 17 ILE HA H . . . . . 3.4 0.9 3.55 . . . . . A . 2 ILE H . . A . 2 ILE HA . . . 9 . HN . . . . . 9 . HA . . rr_1nct 1 235 1 OR . 1 1 17 17 ILE HA H . . . 1 1 17 17 ILE HG12 H . . . . . 3.6 1.1 3.75 . . . . . A . 2 ILE HA . . A . 2 ILE HG12 . . . 9 . HA . . . . . 9 . HG1# . . rr_1nct 1 235 2 OR . 1 1 17 17 ILE HA H . . . 1 1 17 17 ILE HG13 H . . . . . 3.6 1.1 3.75 . . . . . A . 2 ILE HA . . A . 2 ILE HG13 . . . 9 . HA . . . . . 9 . HG1# . . rr_1nct 1 236 1 . . 1 1 17 17 ILE HA H . . . 1 1 17 17 ILE MG H . . . . . 3.5 1.0 3.65 . . . . . A . 2 ILE HA . . A . 2 ILE MG . . . 9 . HA . . . . . 9 . HG2# . . rr_1nct 1 237 1 . . 1 1 18 18 LEU H H . . . 1 1 18 18 LEU HB3 H . . . . . 3.6 1.1 3.75 . . . . . A . 3 LEU H . . A . 3 LEU HB3 . . . 10 . HN . . . . . 10 . HB1 . . rr_1nct 1 238 1 . . 1 1 18 18 LEU H H . . . 1 1 18 18 LEU HB2 H . . . . . 3.3 0.8 3.45 . . . . . A . 3 LEU H . . A . 3 LEU HB2 . . . 10 . HN . . . . . 10 . HB2 . . rr_1nct 1 239 1 . . 1 1 19 19 THR H H . . . 1 1 19 19 THR HB H . . . . . 3.8 1.3 3.95 . . . . . A . 4 THR H . . A . 4 THR HB . . . 11 . HN . . . . . 11 . HB . . rr_1nct 1 240 1 . . 1 1 19 19 THR HA H . . . 1 1 19 19 THR MG H . . . . . 3.3 0.8 3.45 . . . . . A . 4 THR HA . . A . 4 THR MG . . . 11 . HA . . . . . 11 . HG2# . . rr_1nct 1 241 1 . . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HA H . . . . . 3.1 0.6 3.25 . . . . . A . 7 ARG H . . A . 7 ARG HA . . . 14 . HN . . . . . 14 . HA . . rr_1nct 1 242 1 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HB2 H . . . . . 3.7 1.2 3.85 . . . . . A . 7 ARG H . . A . 7 ARG HB2 . . . 14 . HN . . . . . 14 . HB# . . rr_1nct 1 242 2 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HB3 H . . . . . 3.7 1.2 3.85 . . . . . A . 7 ARG H . . A . 7 ARG HB3 . . . 14 . HN . . . . . 14 . HB# . . rr_1nct 1 243 1 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HG2 H . . . . . 3.9 1.4 4.05 . . . . . A . 7 ARG H . . A . 7 ARG HG2 . . . 14 . HN . . . . . 14 . HG# . . rr_1nct 1 243 2 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HG3 H . . . . . 3.9 1.4 4.05 . . . . . A . 7 ARG H . . A . 7 ARG HG3 . . . 14 . HN . . . . . 14 . HG# . . rr_1nct 1 244 1 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HD2 H . . . . . 4.5 2.0 4.65 . . . . . A . 7 ARG H . . A . 7 ARG HD2 . . . 14 . HN . . . . . 14 . HD# . . rr_1nct 1 244 2 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HD3 H . . . . . 4.5 2.0 4.65 . . . . . A . 7 ARG H . . A . 7 ARG HD3 . . . 14 . HN . . . . . 14 . HD# . . rr_1nct 1 245 1 OR . 1 1 22 22 ARG HA H . . . 1 1 22 22 ARG HG2 H . . . . . 4.4 1.9 4.55 . . . . . A . 7 ARG HA . . A . 7 ARG HG2 . . . 14 . HA . . . . . 14 . HG# . . rr_1nct 1 245 2 OR . 1 1 22 22 ARG HA H . . . 1 1 22 22 ARG HG3 H . . . . . 4.4 1.9 4.55 . . . . . A . 7 ARG HA . . A . 7 ARG HG3 . . . 14 . HA . . . . . 14 . HG# . . rr_1nct 1 246 1 . . 1 1 23 23 SER H H . . . 1 1 23 23 SER HB3 H . . . . . 3.4 0.9 3.55 . . . . . A . 8 SER H . . A . 8 SER HB3 . . . 15 . HN . . . . . 15 . HB1 . . rr_1nct 1 247 1 . . 1 1 23 23 SER H H . . . 1 1 23 23 SER HB2 H . . . . . 3.7 1.2 3.85 . . . . . A . 8 SER H . . A . 8 SER HB2 . . . 15 . HN . . . . . 15 . HB2 . . rr_1nct 1 248 1 . . 1 1 23 23 SER HA H . . . 1 1 23 23 SER HB3 H . . . . . 2.4 -0.1 2.55 . . . . . A . 8 SER HA . . A . 8 SER HB3 . . . 15 . HA . . . . . 15 . HB1 . . rr_1nct 1 249 1 . . 1 1 23 23 SER HA H . . . 1 1 23 23 SER HB2 H . . . . . 3.6 1.1 3.75 . . . . . A . 8 SER HA . . A . 8 SER HB2 . . . 15 . HA . . . . . 15 . HB2 . . rr_1nct 1 250 1 . . 1 1 24 24 MET H H . . . 1 1 24 24 MET HB3 H . . . . . 3.1 0.6 3.25 . . . . . A . 9 MET H . . A . 9 MET HB3 . . . 16 . HN . . . . . 16 . HB1 . . rr_1nct 1 251 1 . . 1 1 24 24 MET H H . . . 1 1 24 24 MET HB2 H . . . . . 3.2 0.7 3.35 . . . . . A . 9 MET H . . A . 9 MET HB2 . . . 16 . HN . . . . . 16 . HB2 . . rr_1nct 1 252 1 . . 1 1 24 24 MET H H . . . 1 1 24 24 MET ME H . . . . . 5.7 3.2 5.85 . . . . . A . 9 MET H . . A . 9 MET ME . . . 16 . HN . . . . . 16 . HE# . . rr_1nct 1 253 1 . . 1 1 24 24 MET HA H . . . 1 1 24 24 MET HG2 H . . . . . 3.3 0.8 3.45 . . . . . A . 9 MET HA . . A . 9 MET HG2 . . . 16 . HA . . . . . 16 . HG2 . . rr_1nct 1 254 1 . . 1 1 24 24 MET HA H . . . 1 1 24 24 MET HG3 H . . . . . 3.5 1.0 3.65 . . . . . A . 9 MET HA . . A . 9 MET HG3 . . . 16 . HA . . . . . 16 . HG1 . . rr_1nct 1 255 1 . . 1 1 25 25 THR H H . . . 1 1 25 25 THR HA H . . . . . 3.2 0.7 3.35 . . . . . A . 10 THR H . . A . 10 THR HA . . . 17 . HN . . . . . 17 . HA . . rr_1nct 1 256 1 . . 1 1 25 25 THR H H . . . 1 1 25 25 THR HB H . . . . . 3.0 0.5 3.15 . . . . . A . 10 THR H . . A . 10 THR HB . . . 17 . HN . . . . . 17 . HB . . rr_1nct 1 257 1 . . 1 1 25 25 THR H H . . . 1 1 25 25 THR MG H . . . . . 4.5 2.0 4.65 . . . . . A . 10 THR H . . A . 10 THR MG . . . 17 . HN . . . . . 17 . HG2# . . rr_1nct 1 258 1 . . 1 1 25 25 THR HA H . . . 1 1 25 25 THR MG H . . . . . 3.6 1.1 3.75 . . . . . A . 10 THR HA . . A . 10 THR MG . . . 17 . HA . . . . . 17 . HG2# . . rr_1nct 1 259 1 . . 1 1 26 26 VAL H H . . . 1 1 26 26 VAL HB H . . . . . 3.5 1.0 3.65 . . . . . A . 11 VAL H . . A . 11 VAL HB . . . 18 . HN . . . . . 18 . HB . . rr_1nct 1 260 1 . . 1 1 26 26 VAL MG1 H . . . 1 1 26 26 VAL H H . . . . . 4.4 1.9 4.55 . . . . . A . 11 VAL MG1 . . A . 11 VAL H . . . 18 . HG1# . . . . . 18 . HN . . rr_1nct 1 261 1 . . 1 1 26 26 VAL MG2 H . . . 1 1 26 26 VAL H H . . . . . 4.3 1.8 4.45 . . . . . A . 11 VAL MG2 . . A . 11 VAL H . . . 18 . HG2# . . . . . 18 . HN . . rr_1nct 1 262 1 . . 1 1 26 26 VAL HB H . . . 1 1 26 26 VAL HA H . . . . . 2.6 0.1 2.75 . . . . . A . 11 VAL HB . . A . 11 VAL HA . . . 18 . HB . . . . . 18 . HA . . rr_1nct 1 263 1 . . 1 1 26 26 VAL MG1 H . . . 1 1 26 26 VAL HA H . . . . . 3.5 1.0 3.65 . . . . . A . 11 VAL MG1 . . A . 11 VAL HA . . . 18 . HG1# . . . . . 18 . HA . . rr_1nct 1 264 1 . . 1 1 26 26 VAL MG2 H . . . 1 1 26 26 VAL HA H . . . . . 3.5 1.0 3.65 . . . . . A . 11 VAL MG2 . . A . 11 VAL HA . . . 18 . HG2# . . . . . 18 . HA . . rr_1nct 1 265 1 . . 1 1 27 27 TYR H H . . . 1 1 27 27 TYR HB2 H . . . . . 3.5 1.0 3.65 . . . . . A . 12 TYR H . . A . 12 TYR HB2 . . . 19 . HN . . . . . 19 . HB2 . . rr_1nct 1 266 1 . . 1 1 27 27 TYR H H . . . 1 1 27 27 TYR HB3 H . . . . . 3.3 0.8 3.45 . . . . . A . 12 TYR H . . A . 12 TYR HB3 . . . 19 . HN . . . . . 19 . HB1 . . rr_1nct 1 267 1 . . 1 1 27 27 TYR HB2 H . . . 1 1 27 27 TYR HA H . . . . . 2.7 0.2 2.85 . . . . . A . 12 TYR HB2 . . A . 12 TYR HA . . . 19 . HB2 . . . . . 19 . HA . . rr_1nct 1 268 1 . . 1 1 27 27 TYR HB3 H . . . 1 1 27 27 TYR HA H . . . . . 2.9 0.4 3.05 . . . . . A . 12 TYR HB3 . . A . 12 TYR HA . . . 19 . HB1 . . . . . 19 . HA . . rr_1nct 1 269 1 . . 1 1 28 28 GLU H H . . . 1 1 28 28 GLU HG3 H . . . . . 3.0 0.5 3.15 . . . . . A . 13 GLU H . . A . 13 GLU HG3 . . . 20 . HN . . . . . 20 . HG1 . . rr_1nct 1 270 1 . . 1 1 28 28 GLU H H . . . 1 1 28 28 GLU HG2 H . . . . . 3.1 0.6 3.25 . . . . . A . 13 GLU H . . A . 13 GLU HG2 . . . 20 . HN . . . . . 20 . HG2 . . rr_1nct 1 271 1 OR . 1 1 28 28 GLU H H . . . 1 1 28 28 GLU HB2 H . . . . . 3.6 1.1 3.75 . . . . . A . 13 GLU H . . A . 13 GLU HB2 . . . 20 . HN . . . . . 20 . HB# . . rr_1nct 1 271 2 OR . 1 1 28 28 GLU H H . . . 1 1 28 28 GLU HB3 H . . . . . 3.6 1.1 3.75 . . . . . A . 13 GLU H . . A . 13 GLU HB3 . . . 20 . HN . . . . . 20 . HB# . . rr_1nct 1 272 1 . . 1 1 28 28 GLU HA H . . . 1 1 28 28 GLU HB2 H . . . . . 2.8 0.3 2.95 . . . . . A . 13 GLU HA . . A . 13 GLU HB2 . . . 20 . HA . . . . . 20 . HB2 . . rr_1nct 1 273 1 . . 1 1 28 28 GLU HB3 H . . . 1 1 28 28 GLU HA H . . . . . 2.4 -0.1 2.55 . . . . . A . 13 GLU HB3 . . A . 13 GLU HA . . . 20 . HB1 . . . . . 20 . HA . . rr_1nct 1 274 1 . . 1 1 30 30 GLU HA H . . . 1 1 30 30 GLU HG2 H . . . . . 2.9 0.4 3.05 . . . . . A . 15 GLU HA . . A . 15 GLU HG2 . . . 22 . HA . . . . . 22 . HG2 . . rr_1nct 1 275 1 . . 1 1 30 30 GLU HA H . . . 1 1 30 30 GLU HG3 H . . . . . 4.0 1.5 4.15 . . . . . A . 15 GLU HA . . A . 15 GLU HG3 . . . 22 . HA . . . . . 22 . HG1 . . rr_1nct 1 276 1 OR . 1 1 31 31 SER H H . . . 1 1 31 31 SER HB3 H . . . . . 3.8 1.3 3.95 . . . . . A . 16 SER H . . A . 16 SER HB3 . . . 23 . HN . . . . . 23 . HB# . . rr_1nct 1 276 2 OR . 1 1 31 31 SER H H . . . 1 1 31 31 SER HB2 H . . . . . 3.8 1.3 3.95 . . . . . A . 16 SER H . . A . 16 SER HB2 . . . 23 . HN . . . . . 23 . HB# . . rr_1nct 1 277 1 . . 1 1 31 31 SER H H . . . 1 1 31 31 SER HA H . . . . . 3.0 0.5 3.15 . . . . . A . 16 SER H . . A . 16 SER HA . . . 23 . HN . . . . . 23 . HA . . rr_1nct 1 278 1 . . 1 1 31 31 SER HB2 H . . . 1 1 31 31 SER HA H . . . . . 2.6 0.1 2.75 . . . . . A . 16 SER HB2 . . A . 16 SER HA . . . 23 . HB2 . . . . . 23 . HA . . rr_1nct 1 279 1 . . 1 1 31 31 SER HA H . . . 1 1 31 31 SER HB3 H . . . . . 2.8 0.3 2.95 . . . . . A . 16 SER HA . . A . 16 SER HB3 . . . 23 . HA . . . . . 23 . HB1 . . rr_1nct 1 280 1 OR . 1 1 34 34 PHE H H . . . 1 1 34 34 PHE HB2 H . . . . . 4.2 1.7 4.35 . . . . . A . 19 PHE H . . A . 19 PHE HB2 . . . 26 . HN . . . . . 26 . HB# . . rr_1nct 1 280 2 OR . 1 1 34 34 PHE H H . . . 1 1 34 34 PHE HB3 H . . . . . 4.2 1.7 4.35 . . . . . A . 19 PHE H . . A . 19 PHE HB3 . . . 26 . HN . . . . . 26 . HB# . . rr_1nct 1 281 1 OR . 1 1 35 35 SER H H . . . 1 1 35 35 SER HB2 H . . . . . 3.8 1.3 3.95 . . . . . A . 20 SER H . . A . 20 SER HB2 . . . 27 . HN . . . . . 27 . HB# . . rr_1nct 1 281 2 OR . 1 1 35 35 SER H H . . . 1 1 35 35 SER HB3 H . . . . . 3.8 1.3 3.95 . . . . . A . 20 SER H . . A . 20 SER HB3 . . . 27 . HN . . . . . 27 . HB# . . rr_1nct 1 282 1 . . 1 1 36 36 CYS H H . . . 1 1 36 36 CYS HG H . . . . . 3.8 1.3 3.95 . . . . . A . 21 CYS H . . A . 21 CYS HG . . . 28 . HN . . . . . 28 . HG . . rr_1nct 1 283 1 . . 1 1 36 36 CYS H H . . . 1 1 36 36 CYS HB2 H . . . . . 3.5 1.0 3.65 . . . . . A . 21 CYS H . . A . 21 CYS HB2 . . . 28 . HN . . . . . 28 . HB2 . . rr_1nct 1 284 1 . . 1 1 36 36 CYS H H . . . 1 1 36 36 CYS HB3 H . . . . . 3.6 1.1 3.75 . . . . . A . 21 CYS H . . A . 21 CYS HB3 . . . 28 . HN . . . . . 28 . HB1 . . rr_1nct 1 285 1 . . 1 1 36 36 CYS HA H . . . 1 1 36 36 CYS HB2 H . . . . . 2.6 0.1 2.75 . . . . . A . 21 CYS HA . . A . 21 CYS HB2 . . . 28 . HA . . . . . 28 . HB2 . . rr_1nct 1 286 1 . . 1 1 36 36 CYS HA H . . . 1 1 36 36 CYS HB3 H . . . . . 3.0 0.5 3.15 . . . . . A . 21 CYS HA . . A . 21 CYS HB3 . . . 28 . HA . . . . . 28 . HB1 . . rr_1nct 1 287 1 . . 1 1 37 37 ASP H H . . . 1 1 37 37 ASP HB2 H . . . . . 3.2 0.7 3.35 . . . . . A . 22 ASP H . . A . 22 ASP HB2 . . . 29 . HN . . . . . 29 . HB2 . . rr_1nct 1 288 1 . . 1 1 37 37 ASP H H . . . 1 1 37 37 ASP HB3 H . . . . . 3.4 0.9 3.55 . . . . . A . 22 ASP H . . A . 22 ASP HB3 . . . 29 . HN . . . . . 29 . HB1 . . rr_1nct 1 289 1 . . 1 1 37 37 ASP HA H . . . 1 1 37 37 ASP HB2 H . . . . . 2.8 0.3 2.95 . . . . . A . 22 ASP HA . . A . 22 ASP HB2 . . . 29 . HA . . . . . 29 . HB2 . . rr_1nct 1 290 1 . . 1 1 37 37 ASP HA H . . . 1 1 37 37 ASP HB3 H . . . . . 3.1 0.6 3.25 . . . . . A . 22 ASP HA . . A . 22 ASP HB3 . . . 29 . HA . . . . . 29 . HB1 . . rr_1nct 1 291 1 . . 1 1 38 38 THR MG H . . . 1 1 38 38 THR H H . . . . . 4.8 2.3 4.95 . . . . . A . 23 THR MG . . A . 23 THR H . . . 30 . HG2# . . . . . 30 . HN . . rr_1nct 1 292 1 . . 1 1 39 39 ASP H H . . . 1 1 39 39 ASP HB3 H . . . . . 3.4 0.9 3.55 . . . . . A . 24 ASP H . . A . 24 ASP HB3 . . . 31 . HN . . . . . 31 . HB1 . . rr_1nct 1 293 1 . . 1 1 39 39 ASP HB2 H . . . 1 1 39 39 ASP HA H . . . . . 2.8 0.3 2.95 . . . . . A . 24 ASP HB2 . . A . 24 ASP HA . . . 31 . HB2 . . . . . 31 . HA . . rr_1nct 1 294 1 . . 1 1 39 39 ASP HB3 H . . . 1 1 39 39 ASP HA H . . . . . 2.9 0.4 3.05 . . . . . A . 24 ASP HB3 . . A . 24 ASP HA . . . 31 . HB1 . . . . . 31 . HA . . rr_1nct 1 295 1 . . 1 1 40 40 GLY H H . . . 1 1 40 40 GLY HA2 H . . . . . 3.0 0.5 3.15 . . . . . A . 25 GLY H . . A . 25 GLY HA2 . . . 32 . HN . . . . . 32 . HA2 . . rr_1nct 1 296 1 . . 1 1 40 40 GLY H H . . . 1 1 40 40 GLY HA3 H . . . . . 3.1 0.6 3.25 . . . . . A . 25 GLY H . . A . 25 GLY HA3 . . . 32 . HN . . . . . 32 . HA1 . . rr_1nct 1 297 1 OR . 1 1 41 41 GLU H H . . . 1 1 41 41 GLU HB2 H . . . . . 3.9 1.4 4.05 . . . . . A . 26 GLU H . . A . 26 GLU HB2 . . . 33 . HN . . . . . 33 . HB# . . rr_1nct 1 297 2 OR . 1 1 41 41 GLU H H . . . 1 1 41 41 GLU HB3 H . . . . . 3.9 1.4 4.05 . . . . . A . 26 GLU H . . A . 26 GLU HB3 . . . 33 . HN . . . . . 33 . HB# . . rr_1nct 1 298 1 OR . 1 1 41 41 GLU H H . . . 1 1 41 41 GLU HG2 H . . . . . 4.6 2.1 4.75 . . . . . A . 26 GLU H . . A . 26 GLU HG2 . . . 33 . HN . . . . . 33 . HG# . . rr_1nct 1 298 2 OR . 1 1 41 41 GLU H H . . . 1 1 41 41 GLU HG3 H . . . . . 4.6 2.1 4.75 . . . . . A . 26 GLU H . . A . 26 GLU HG3 . . . 33 . HN . . . . . 33 . HG# . . rr_1nct 1 299 1 . . 1 1 43 43 VAL H H . . . 1 1 43 43 VAL MG1 H . . . . . 4.2 1.7 4.35 . . . . . A . 28 VAL H . . A . 28 VAL MG1 . . . 35 . HN . . . . . 35 . HG1# . . rr_1nct 1 300 1 . . 1 1 43 43 VAL H H . . . 1 1 43 43 VAL MG2 H . . . . . 4.5 2.0 4.65 . . . . . A . 28 VAL H . . A . 28 VAL MG2 . . . 35 . HN . . . . . 35 . HG2# . . rr_1nct 1 301 1 . . 1 1 43 43 VAL H H . . . 1 1 43 43 VAL HB H . . . . . 2.9 0.4 3.05 . . . . . A . 28 VAL H . . A . 28 VAL HB . . . 35 . HN . . . . . 35 . HB . . rr_1nct 1 302 1 . . 1 1 43 43 VAL HB H . . . 1 1 43 43 VAL HA H . . . . . 2.9 0.4 3.05 . . . . . A . 28 VAL HB . . A . 28 VAL HA . . . 35 . HB . . . . . 35 . HA . . rr_1nct 1 303 1 . . 1 1 45 45 THR H H . . . 1 1 45 45 THR MG H . . . . . 4.6 2.1 4.75 . . . . . A . 30 THR H . . A . 30 THR MG . . . 37 . HN . . . . . 37 . HG2# . . rr_1nct 1 304 1 . . 1 1 45 45 THR H H . . . 1 1 45 45 THR HB H . . . . . 3.2 0.7 3.35 . . . . . A . 30 THR H . . A . 30 THR HB . . . 37 . HN . . . . . 37 . HB . . rr_1nct 1 305 1 . . 1 1 46 46 VAL H H . . . 1 1 46 46 VAL MG2 H . . . . . 4.7 2.2 4.85 . . . . . A . 31 VAL H . . A . 31 VAL MG2 . . . 38 . HN . . . . . 38 . HG2# . . rr_1nct 1 306 1 . . 1 1 46 46 VAL H H . . . 1 1 46 46 VAL MG1 H . . . . . 4.3 1.8 4.45 . . . . . A . 31 VAL H . . A . 31 VAL MG1 . . . 38 . HN . . . . . 38 . HG1# . . rr_1nct 1 307 1 . . 1 1 46 46 VAL H H . . . 1 1 46 46 VAL HB H . . . . . 3.2 0.7 3.35 . . . . . A . 31 VAL H . . A . 31 VAL HB . . . 38 . HN . . . . . 38 . HB . . rr_1nct 1 308 1 . . 1 1 46 46 VAL HB H . . . 1 1 46 46 VAL HA H . . . . . 2.9 0.4 3.05 . . . . . A . 31 VAL HB . . A . 31 VAL HA . . . 38 . HB . . . . . 38 . HA . . rr_1nct 1 309 1 . . 1 1 46 46 VAL MG1 H . . . 1 1 46 46 VAL HA H . . . . . 3.5 1.0 3.65 . . . . . A . 31 VAL MG1 . . A . 31 VAL HA . . . 38 . HG1# . . . . . 38 . HA . . rr_1nct 1 310 1 . . 1 1 46 46 VAL MG2 H . . . 1 1 46 46 VAL HA H . . . . . 3.6 1.1 3.75 . . . . . A . 31 VAL MG2 . . A . 31 VAL HA . . . 38 . HG2# . . . . . 38 . HA . . rr_1nct 1 311 1 . . 1 1 47 47 THR H H . . . 1 1 47 47 THR MG H . . . . . 4.6 2.1 4.75 . . . . . A . 32 THR H . . A . 32 THR MG . . . 39 . HN . . . . . 39 . HG2# . . rr_1nct 1 312 1 . . 1 1 47 47 THR H H . . . 1 1 47 47 THR HB H . . . . . 3.2 0.7 3.35 . . . . . A . 32 THR H . . A . 32 THR HB . . . 39 . HN . . . . . 39 . HB . . rr_1nct 1 313 1 . . 1 1 48 48 TRP HA H . . . 1 1 48 48 TRP HB2 H . . . . . 2.7 0.2 2.85 . . . . . A . 33 TRP HA . . A . 33 TRP HB2 . . . 40 . HA . . . . . 40 . HB2 . . rr_1nct 1 314 1 . . 1 1 48 48 TRP HA H . . . 1 1 48 48 TRP HB3 H . . . . . 3.1 0.6 3.25 . . . . . A . 33 TRP HA . . A . 33 TRP HB3 . . . 40 . HA . . . . . 40 . HB1 . . rr_1nct 1 315 1 OR . 1 1 49 49 LEU H H . . . 1 1 49 49 LEU HB2 H . . . . . 3.8 1.3 3.95 . . . . . A . 34 LEU H . . A . 34 LEU HB2 . . . 41 . HN . . . . . 41 . HB# . . rr_1nct 1 315 2 OR . 1 1 49 49 LEU H H . . . 1 1 49 49 LEU HB3 H . . . . . 3.8 1.3 3.95 . . . . . A . 34 LEU H . . A . 34 LEU HB3 . . . 41 . HN . . . . . 41 . HB# . . rr_1nct 1 316 1 . . 1 1 49 49 LEU H H . . . 1 1 49 49 LEU HG H . . . . . 4.1 1.6 4.25 . . . . . A . 34 LEU H . . A . 34 LEU HG . . . 41 . HN . . . . . 41 . HG . . rr_1nct 1 317 1 . . 1 1 49 49 LEU HA H . . . 1 1 49 49 LEU MD1 H . . . . . 4.7 2.2 4.85 . . . . . A . 34 LEU HA . . A . 34 LEU MD1 . . . 41 . HA . . . . . 41 . HD1# . . rr_1nct 1 318 1 . . 1 1 49 49 LEU HA H . . . 1 1 49 49 LEU MD2 H . . . . . 4.4 1.9 4.55 . . . . . A . 34 LEU HA . . A . 34 LEU MD2 . . . 41 . HA . . . . . 41 . HD2# . . rr_1nct 1 319 1 . . 1 1 50 50 ARG H H . . . 1 1 50 50 ARG HB2 H . . . . . 3.4 0.9 3.55 . . . . . A . 35 ARG H . . A . 35 ARG HB2 . . . 42 . HN . . . . . 42 . HB2 . . rr_1nct 1 320 1 . . 1 1 50 50 ARG H H . . . 1 1 50 50 ARG HB3 H . . . . . 2.8 0.3 2.95 . . . . . A . 35 ARG H . . A . 35 ARG HB3 . . . 42 . HN . . . . . 42 . HB1 . . rr_1nct 1 321 1 . . 1 1 50 50 ARG HA H . . . 1 1 50 50 ARG HB2 H . . . . . 2.5 0.0 2.65 . . . . . A . 35 ARG HA . . A . 35 ARG HB2 . . . 42 . HA . . . . . 42 . HB2 . . rr_1nct 1 322 1 . . 1 1 50 50 ARG HA H . . . 1 1 50 50 ARG HB3 H . . . . . 3.0 0.5 3.15 . . . . . A . 35 ARG HA . . A . 35 ARG HB3 . . . 42 . HA . . . . . 42 . HB1 . . rr_1nct 1 323 1 OR . 1 1 50 50 ARG H H . . . 1 1 50 50 ARG HG2 H . . . . . 4.4 1.9 4.55 . . . . . A . 35 ARG H . . A . 35 ARG HG2 . . . 42 . HN . . . . . 42 . HG# . . rr_1nct 1 323 2 OR . 1 1 50 50 ARG H H . . . 1 1 50 50 ARG HG3 H . . . . . 4.4 1.9 4.55 . . . . . A . 35 ARG H . . A . 35 ARG HG3 . . . 42 . HN . . . . . 42 . HG# . . rr_1nct 1 324 1 . . 1 1 51 51 LYS H H . . . 1 1 51 51 LYS HA H . . . . . 2.8 0.3 2.95 . . . . . A . 36 LYS H . . A . 36 LYS HA . . . 43 . HN . . . . . 43 . HA . . rr_1nct 1 325 1 . . 1 1 51 51 LYS H H . . . 1 1 51 51 LYS HB2 H . . . . . 3.1 0.6 3.25 . . . . . A . 36 LYS H . . A . 36 LYS HB2 . . . 43 . HN . . . . . 43 . HB2 . . rr_1nct 1 326 1 . . 1 1 51 51 LYS H H . . . 1 1 51 51 LYS HB3 H . . . . . 3.6 1.1 3.75 . . . . . A . 36 LYS H . . A . 36 LYS HB3 . . . 43 . HN . . . . . 43 . HB1 . . rr_1nct 1 327 1 . . 1 1 52 52 GLY H H . . . 1 1 52 52 GLY HA3 H . . . . . 2.7 0.2 2.85 . . . . . A . 37 GLY H . . A . 37 GLY HA3 . . . 44 . HN . . . . . 44 . HA1 . . rr_1nct 1 328 1 . . 1 1 52 52 GLY H H . . . 1 1 52 52 GLY HA2 H . . . . . 2.7 0.2 2.85 . . . . . A . 37 GLY H . . A . 37 GLY HA2 . . . 44 . HN . . . . . 44 . HA2 . . rr_1nct 1 329 1 . . 1 1 54 54 VAL H H . . . 1 1 54 54 VAL MG2 H . . . . . 4.6 2.1 4.75 . . . . . A . 39 VAL H . . A . 39 VAL MG2 . . . 46 . HN . . . . . 46 . HG2# . . rr_1nct 1 330 1 . . 1 1 54 54 VAL MG1 H . . . 1 1 54 54 VAL H H . . . . . 4.9 2.4 5.05 . . . . . A . 39 VAL MG1 . . A . 39 VAL H . . . 46 . HG1# . . . . . 46 . HN . . rr_1nct 1 331 1 . . 1 1 55 55 LEU H H . . . 1 1 55 55 LEU MD2 H . . . . . 5.3 2.8 5.45 . . . . . A . 40 LEU H . . A . 40 LEU MD2 . . . 47 . HN . . . . . 47 . HD2# . . rr_1nct 1 332 1 . . 1 1 55 55 LEU MD1 H . . . 1 1 55 55 LEU H H . . . . . 5.4 2.9 5.55 . . . . . A . 40 LEU MD1 . . A . 40 LEU H . . . 47 . HD1# . . . . . 47 . HN . . rr_1nct 1 333 1 . . 1 1 55 55 LEU MD1 H . . . 1 1 55 55 LEU HA H . . . . . 4.1 1.6 4.25 . . . . . A . 40 LEU MD1 . . A . 40 LEU HA . . . 47 . HD1# . . . . . 47 . HA . . rr_1nct 1 334 1 . . 1 1 55 55 LEU HA H . . . 1 1 55 55 LEU MD2 H . . . . . 4.6 2.1 4.75 . . . . . A . 40 LEU HA . . A . 40 LEU MD2 . . . 47 . HA . . . . . 47 . HD2# . . rr_1nct 1 335 1 . . 1 1 56 56 SER H H . . . 1 1 56 56 SER HA H . . . . . 2.7 0.2 2.85 . . . . . A . 41 SER H . . A . 41 SER HA . . . 48 . HN . . . . . 48 . HA . . rr_1nct 1 336 1 OR . 1 1 56 56 SER H H . . . 1 1 56 56 SER HB2 H . . . . . 3.9 1.4 4.05 . . . . . A . 41 SER H . . A . 41 SER HB2 . . . 48 . HN . . . . . 48 . HB# . . rr_1nct 1 336 2 OR . 1 1 56 56 SER H H . . . 1 1 56 56 SER HB3 H . . . . . 3.9 1.4 4.05 . . . . . A . 41 SER H . . A . 41 SER HB3 . . . 48 . HN . . . . . 48 . HB# . . rr_1nct 1 337 1 . . 1 1 57 57 THR H H . . . 1 1 57 57 THR HB H . . . . . 3.4 0.9 3.55 . . . . . A . 42 THR H . . A . 42 THR HB . . . 49 . HN . . . . . 49 . HB . . rr_1nct 1 338 1 . . 1 1 57 57 THR H H . . . 1 1 57 57 THR HA H . . . . . 2.9 0.4 3.05 . . . . . A . 42 THR H . . A . 42 THR HA . . . 49 . HN . . . . . 49 . HA . . rr_1nct 1 339 1 . . 1 1 57 57 THR H H . . . 1 1 57 57 THR MG H . . . . . 4.4 1.9 4.55 . . . . . A . 42 THR H . . A . 42 THR MG . . . 49 . HN . . . . . 49 . HG2# . . rr_1nct 1 340 1 . . 1 1 58 58 SER HA H . . . 1 1 58 58 SER HB2 H . . . . . 2.5 0.0 2.65 . . . . . A . 43 SER HA . . A . 43 SER HB2 . . . 50 . HA . . . . . 50 . HB2 . . rr_1nct 1 341 1 . . 1 1 58 58 SER HA H . . . 1 1 58 58 SER HB3 H . . . . . 2.9 0.4 3.05 . . . . . A . 43 SER HA . . A . 43 SER HB3 . . . 50 . HA . . . . . 50 . HB1 . . rr_1nct 1 342 1 . . 1 1 61 61 HIS H H . . . 1 1 61 61 HIS HB3 H . . . . . 3.2 0.7 3.35 . . . . . A . 46 HIS H . . A . 46 HIS HB3 . . . 53 . HN . . . . . 53 . HB1 . . rr_1nct 1 343 1 . . 1 1 61 61 HIS HB2 H . . . 1 1 61 61 HIS H H . . . . . 3.6 1.1 3.75 . . . . . A . 46 HIS HB2 . . A . 46 HIS H . . . 53 . HB2 . . . . . 53 . HN . . rr_1nct 1 344 1 . . 1 1 61 61 HIS HA H . . . 1 1 61 61 HIS HB3 H . . . . . 2.8 0.3 2.95 . . . . . A . 46 HIS HA . . A . 46 HIS HB3 . . . 53 . HA . . . . . 53 . HB1 . . rr_1nct 1 345 1 . . 1 1 61 61 HIS HB2 H . . . 1 1 61 61 HIS HA H . . . . . 3.0 0.5 3.15 . . . . . A . 46 HIS HB2 . . A . 46 HIS HA . . . 53 . HB2 . . . . . 53 . HA . . rr_1nct 1 346 1 OR . 1 1 62 62 GLN H H . . . 1 1 62 62 GLN HB2 H . . . . . 3.9 1.4 4.05 . . . . . A . 47 GLN H . . A . 47 GLN HB2 . . . 54 . HN . . . . . 54 . HB# . . rr_1nct 1 346 2 OR . 1 1 62 62 GLN H H . . . 1 1 62 62 GLN HB3 H . . . . . 3.9 1.4 4.05 . . . . . A . 47 GLN H . . A . 47 GLN HB3 . . . 54 . HN . . . . . 54 . HB# . . rr_1nct 1 347 1 . . 1 1 63 63 VAL H H . . . 1 1 63 63 VAL HB H . . . . . 3.0 0.5 3.15 . . . . . A . 48 VAL H . . A . 48 VAL HB . . . 55 . HN . . . . . 55 . HB . . rr_1nct 1 348 1 . . 1 1 63 63 VAL H H . . . 1 1 63 63 VAL MG2 H . . . . . 4.3 1.8 4.45 . . . . . A . 48 VAL H . . A . 48 VAL MG2 . . . 55 . HN . . . . . 55 . HG2# . . rr_1nct 1 349 1 . . 1 1 63 63 VAL H H . . . 1 1 63 63 VAL MG1 H . . . . . 4.5 2.0 4.65 . . . . . A . 48 VAL H . . A . 48 VAL MG1 . . . 55 . HN . . . . . 55 . HG1# . . rr_1nct 1 350 1 . . 1 1 63 63 VAL MG1 H . . . 1 1 63 63 VAL HA H . . . . . 4.5 2.0 4.65 . . . . . A . 48 VAL MG1 . . A . 48 VAL HA . . . 55 . HG1# . . . . . 55 . HA . . rr_1nct 1 351 1 . . 1 1 63 63 VAL MG2 H . . . 1 1 63 63 VAL HA H . . . . . 5.0 2.5 5.15 . . . . . A . 48 VAL MG2 . . A . 48 VAL HA . . . 55 . HG2# . . . . . 55 . HA . . rr_1nct 1 352 1 . . 1 1 64 64 THR HA H . . . 1 1 64 64 THR MG H . . . . . 3.8 1.3 3.95 . . . . . A . 49 THR HA . . A . 49 THR MG . . . 56 . HA . . . . . 56 . HG2# . . rr_1nct 1 353 1 . . 1 1 65 65 THR HA H . . . 1 1 65 65 THR MG H . . . . . 3.8 1.3 3.95 . . . . . A . 50 THR HA . . A . 50 THR MG . . . 57 . HA . . . . . 57 . HG2# . . rr_1nct 1 354 1 . . 1 1 67 67 LYS H H . . . 1 1 67 67 LYS HB2 H . . . . . 3.0 0.5 3.15 . . . . . A . 52 LYS H . . A . 52 LYS HB2 . . . 59 . HN . . . . . 59 . HB2 . . rr_1nct 1 355 1 . . 1 1 67 67 LYS HB2 H . . . 1 1 67 67 LYS HA H . . . . . 3.0 0.5 3.15 . . . . . A . 52 LYS HB2 . . A . 52 LYS HA . . . 59 . HB2 . . . . . 59 . HA . . rr_1nct 1 356 1 . . 1 1 67 67 LYS HB3 H . . . 1 1 67 67 LYS HA H . . . . . 2.6 0.1 2.75 . . . . . A . 52 LYS HB3 . . A . 52 LYS HA . . . 59 . HB1 . . . . . 59 . HA . . rr_1nct 1 357 1 . . 1 1 68 68 TYR H H . . . 1 1 68 68 TYR HB2 H . . . . . 3.1 0.6 3.25 . . . . . A . 53 TYR H . . A . 53 TYR HB2 . . . 60 . HN . . . . . 60 . HB2 . . rr_1nct 1 358 1 . . 1 1 68 68 TYR H H . . . 1 1 68 68 TYR HB3 H . . . . . 3.5 1.0 3.65 . . . . . A . 53 TYR H . . A . 53 TYR HB3 . . . 60 . HN . . . . . 60 . HB1 . . rr_1nct 1 359 1 . . 1 1 68 68 TYR HA H . . . 1 1 68 68 TYR HB2 H . . . . . 2.8 0.3 2.95 . . . . . A . 53 TYR HA . . A . 53 TYR HB2 . . . 60 . HA . . . . . 60 . HB2 . . rr_1nct 1 360 1 . . 1 1 68 68 TYR HA H . . . 1 1 68 68 TYR HB3 H . . . . . 3.0 0.5 3.15 . . . . . A . 53 TYR HA . . A . 53 TYR HB3 . . . 60 . HA . . . . . 60 . HB1 . . rr_1nct 1 361 1 . . 1 1 69 69 LYS HA H . . . 1 1 69 69 LYS HB2 H . . . . . 2.6 0.1 2.75 . . . . . A . 54 LYS HA . . A . 54 LYS HB2 . . . 61 . HA . . . . . 61 . HB2 . . rr_1nct 1 362 1 . . 1 1 69 69 LYS HB3 H . . . 1 1 69 69 LYS HA H . . . . . 3.0 0.5 3.15 . . . . . A . 54 LYS HB3 . . A . 54 LYS HA . . . 61 . HB1 . . . . . 61 . HA . . rr_1nct 1 363 1 OR . 1 1 69 69 LYS HA H . . . 1 1 69 69 LYS HE2 H . . . . . 5.5 3.0 5.65 . . . . . A . 54 LYS HA . . A . 54 LYS HE2 . . . 61 . HA . . . . . 61 . HE# . . rr_1nct 1 363 2 OR . 1 1 69 69 LYS HA H . . . 1 1 69 69 LYS HE3 H . . . . . 5.5 3.0 5.65 . . . . . A . 54 LYS HA . . A . 54 LYS HE3 . . . 61 . HA . . . . . 61 . HE# . . rr_1nct 1 364 1 . . 1 1 70 70 SER HA H . . . 1 1 70 70 SER HB2 H . . . . . 2.6 0.1 2.75 . . . . . A . 55 SER HA . . A . 55 SER HB2 . . . 62 . HA . . . . . 62 . HB2 . . rr_1nct 1 365 1 . . 1 1 70 70 SER HA H . . . 1 1 70 70 SER HB3 H . . . . . 3.0 0.5 3.15 . . . . . A . 55 SER HA . . A . 55 SER HB3 . . . 62 . HA . . . . . 62 . HB1 . . rr_1nct 1 366 1 . . 1 1 70 70 SER H H . . . 1 1 70 70 SER HB2 H . . . . . 2.6 0.1 2.75 . . . . . A . 55 SER H . . A . 55 SER HB2 . . . 62 . HN . . . . . 62 . HB2 . . rr_1nct 1 367 1 . . 1 1 70 70 SER H H . . . 1 1 70 70 SER HB3 H . . . . . 2.9 0.4 3.05 . . . . . A . 55 SER H . . A . 55 SER HB3 . . . 62 . HN . . . . . 62 . HB1 . . rr_1nct 1 368 1 . . 1 1 70 70 SER HA H . . . 1 1 70 70 SER HG H . . . . . 2.7 0.2 2.85 . . . . . A . 55 SER HA . . A . 55 SER HG . . . 62 . HA . . . . . 62 . HG . . rr_1nct 1 369 1 . . 1 1 70 70 SER HG H . . . 1 1 70 70 SER HB2 H . . . . . 2.6 0.1 2.75 . . . . . A . 55 SER HG . . A . 55 SER HB2 . . . 62 . HG . . . . . 62 . HB2 . . rr_1nct 1 370 1 . . 1 1 70 70 SER HG H . . . 1 1 70 70 SER HB3 H . . . . . 2.8 0.3 2.95 . . . . . A . 55 SER HG . . A . 55 SER HB3 . . . 62 . HG . . . . . 62 . HB1 . . rr_1nct 1 371 1 . . 1 1 71 71 THR MG H . . . 1 1 71 71 THR HA H . . . . . 3.8 1.3 3.95 . . . . . A . 56 THR MG . . A . 56 THR HA . . . 63 . HG2# . . . . . 63 . HA . . rr_1nct 1 372 1 OR . 1 1 73 73 GLU H H . . . 1 1 73 73 GLU HG2 H . . . . . 4.3 1.8 4.45 . . . . . A . 58 GLU H . . A . 58 GLU HG2 . . . 65 . HN . . . . . 65 . HG# . . rr_1nct 1 372 2 OR . 1 1 73 73 GLU H H . . . 1 1 73 73 GLU HG3 H . . . . . 4.3 1.8 4.45 . . . . . A . 58 GLU H . . A . 58 GLU HG3 . . . 65 . HN . . . . . 65 . HG# . . rr_1nct 1 373 1 OR . 1 1 73 73 GLU H H . . . 1 1 73 73 GLU HB2 H . . . . . 3.8 1.3 3.95 . . . . . A . 58 GLU H . . A . 58 GLU HB2 . . . 65 . HN . . . . . 65 . HB# . . rr_1nct 1 373 2 OR . 1 1 73 73 GLU H H . . . 1 1 73 73 GLU HB3 H . . . . . 3.8 1.3 3.95 . . . . . A . 58 GLU H . . A . 58 GLU HB3 . . . 65 . HN . . . . . 65 . HB# . . rr_1nct 1 374 1 OR . 1 1 73 73 GLU HA H . . . 1 1 73 73 GLU HG2 H . . . . . 3.9 1.4 4.05 . . . . . A . 58 GLU HA . . A . 58 GLU HG2 . . . 65 . HA . . . . . 65 . HG# . . rr_1nct 1 374 2 OR . 1 1 73 73 GLU HA H . . . 1 1 73 73 GLU HG3 H . . . . . 3.9 1.4 4.05 . . . . . A . 58 GLU HA . . A . 58 GLU HG3 . . . 65 . HA . . . . . 65 . HG# . . rr_1nct 1 375 1 . . 1 1 74 74 ILE H H . . . 1 1 74 74 ILE HB H . . . . . 3.2 0.7 3.35 . . . . . A . 59 ILE H . . A . 59 ILE HB . . . 66 . HN . . . . . 66 . HB . . rr_1nct 1 376 1 . . 1 1 75 75 SER HB2 H . . . 1 1 75 75 SER HA H . . . . . 3.0 0.5 3.15 . . . . . A . 60 SER HB2 . . A . 60 SER HA . . . 67 . HB2 . . . . . 67 . HA . . rr_1nct 1 377 1 . . 1 1 75 75 SER HA H . . . 1 1 75 75 SER HB3 H . . . . . 2.6 0.1 2.75 . . . . . A . 60 SER HA . . A . 60 SER HB3 . . . 67 . HA . . . . . 67 . HB1 . . rr_1nct 1 378 1 . . 1 1 76 76 SER HA H . . . 1 1 76 76 SER HB2 H . . . . . 3.1 0.6 3.25 . . . . . A . 61 SER HA . . A . 61 SER HB2 . . . 68 . HA . . . . . 68 . HB2 . . rr_1nct 1 379 1 . . 1 1 76 76 SER HB3 H . . . 1 1 76 76 SER HA H . . . . . 2.7 0.2 2.85 . . . . . A . 61 SER HB3 . . A . 61 SER HA . . . 68 . HB1 . . . . . 68 . HA . . rr_1nct 1 380 1 . . 1 1 77 77 VAL H H . . . 1 1 77 77 VAL MG1 H . . . . . 4.2 1.7 4.35 . . . . . A . 62 VAL H . . A . 62 VAL MG1 . . . 69 . HN . . . . . 69 . HG1# . . rr_1nct 1 381 1 . . 1 1 77 77 VAL H H . . . 1 1 77 77 VAL MG1 H . . . . . 4.0 1.5 4.15 . . . . . A . 62 VAL H . . A . 62 VAL MG1 . . . 69 . HN . . . . . 69 . HG1# . . rr_1nct 1 382 1 . . 1 1 77 77 VAL H H . . . 1 1 77 77 VAL HB H . . . . . 2.9 0.4 3.05 . . . . . A . 62 VAL H . . A . 62 VAL HB . . . 69 . HN . . . . . 69 . HB . . rr_1nct 1 383 1 . . 1 1 78 78 GLN H H . . . 1 1 78 78 GLN HB3 H . . . . . 3.3 0.8 3.45 . . . . . A . 63 GLN H . . A . 63 GLN HB3 . . . 70 . HN . . . . . 70 . HB1 . . rr_1nct 1 384 1 . . 1 1 78 78 GLN H H . . . 1 1 78 78 GLN HB2 H . . . . . 3.5 1.0 3.65 . . . . . A . 63 GLN H . . A . 63 GLN HB2 . . . 70 . HN . . . . . 70 . HB2 . . rr_1nct 1 385 1 OR . 1 1 78 78 GLN H H . . . 1 1 78 78 GLN HG2 H . . . . . 4.4 1.9 4.55 . . . . . A . 63 GLN H . . A . 63 GLN HG2 . . . 70 . HN . . . . . 70 . HG# . . rr_1nct 1 385 2 OR . 1 1 78 78 GLN H H . . . 1 1 78 78 GLN HG3 H . . . . . 4.4 1.9 4.55 . . . . . A . 63 GLN H . . A . 63 GLN HG3 . . . 70 . HN . . . . . 70 . HG# . . rr_1nct 1 386 1 . . 1 1 78 78 GLN HG3 H . . . 1 1 78 78 GLN HE21 H . . . . . 2.9 0.4 3.05 . . . . . A . 63 GLN HG3 . . A . 63 GLN HE21 . . . 70 . HG1 . . . . . 70 . HE21 . . rr_1nct 1 387 1 . . 1 1 78 78 GLN HE21 H . . . 1 1 78 78 GLN HG2 H . . . . . 2.7 0.2 2.85 . . . . . A . 63 GLN HE21 . . A . 63 GLN HG2 . . . 70 . HE21 . . . . . 70 . HG2 . . rr_1nct 1 388 1 . . 1 1 78 78 GLN HE22 H . . . 1 1 78 78 GLN HG2 H . . . . . 3.6 1.1 3.75 . . . . . A . 63 GLN HE22 . . A . 63 GLN HG2 . . . 70 . HE22 . . . . . 70 . HG2 . . rr_1nct 1 389 1 . . 1 1 78 78 GLN HG3 H . . . 1 1 78 78 GLN HE22 H . . . . . 3.9 1.4 4.05 . . . . . A . 63 GLN HG3 . . A . 63 GLN HE22 . . . 70 . HG1 . . . . . 70 . HE22 . . rr_1nct 1 390 1 . . 1 1 81 81 ASP H H . . . 1 1 81 81 ASP HA H . . . . . 2.9 0.4 3.05 . . . . . A . 66 ASP H . . A . 66 ASP HA . . . 73 . HN . . . . . 73 . HA . . rr_1nct 1 391 1 . . 1 1 81 81 ASP H H . . . 1 1 81 81 ASP HB2 H . . . . . 3.2 0.7 3.35 . . . . . A . 66 ASP H . . A . 66 ASP HB2 . . . 73 . HN . . . . . 73 . HB2 . . rr_1nct 1 392 1 . . 1 1 81 81 ASP H H . . . 1 1 81 81 ASP HB3 H . . . . . 3.1 0.6 3.25 . . . . . A . 66 ASP H . . A . 66 ASP HB3 . . . 73 . HN . . . . . 73 . HB1 . . rr_1nct 1 393 1 . . 1 1 81 81 ASP HA H . . . 1 1 81 81 ASP HB2 H . . . . . 2.6 0.1 2.75 . . . . . A . 66 ASP HA . . A . 66 ASP HB2 . . . 73 . HA . . . . . 73 . HB2 . . rr_1nct 1 394 1 . . 1 1 81 81 ASP HA H . . . 1 1 81 81 ASP HB3 H . . . . . 2.9 0.4 3.05 . . . . . A . 66 ASP HA . . A . 66 ASP HB3 . . . 73 . HA . . . . . 73 . HB1 . . rr_1nct 1 395 1 . . 1 1 82 82 GLU HG3 H . . . 1 1 82 82 GLU H H . . . . . 4.1 1.6 4.25 . . . . . A . 67 GLU HG3 . . A . 67 GLU H . . . 74 . HG1 . . . . . 74 . HN . . rr_1nct 1 396 1 . . 1 1 82 82 GLU H H . . . 1 1 82 82 GLU HG2 H . . . . . 4.4 1.9 4.55 . . . . . A . 67 GLU H . . A . 67 GLU HG2 . . . 74 . HN . . . . . 74 . HG2 . . rr_1nct 1 397 1 OR . 1 1 82 82 GLU H H . . . 1 1 82 82 GLU HB2 H . . . . . 3.6 1.1 3.75 . . . . . A . 67 GLU H . . A . 67 GLU HB2 . . . 74 . HN . . . . . 74 . HB# . . rr_1nct 1 397 2 OR . 1 1 82 82 GLU H H . . . 1 1 82 82 GLU HB3 H . . . . . 3.6 1.1 3.75 . . . . . A . 67 GLU H . . A . 67 GLU HB3 . . . 74 . HN . . . . . 74 . HB# . . rr_1nct 1 398 1 . . 1 1 82 82 GLU HA H . . . 1 1 82 82 GLU HB2 H . . . . . 3.1 0.6 3.25 . . . . . A . 67 GLU HA . . A . 67 GLU HB2 . . . 74 . HA . . . . . 74 . HB2 . . rr_1nct 1 399 1 . . 1 1 82 82 GLU HA H . . . 1 1 82 82 GLU HB3 H . . . . . 2.6 0.1 2.75 . . . . . A . 67 GLU HA . . A . 67 GLU HB3 . . . 74 . HA . . . . . 74 . HB1 . . rr_1nct 1 400 1 . . 1 1 83 83 GLY H H . . . 1 1 83 83 GLY HA3 H . . . . . 2.9 0.4 3.05 . . . . . A . 68 GLY H . . A . 68 GLY HA3 . . . 75 . HN . . . . . 75 . HA1 . . rr_1nct 1 401 1 . . 1 1 83 83 GLY H H . . . 1 1 83 83 GLY HA2 H . . . . . 2.9 0.4 3.05 . . . . . A . 68 GLY H . . A . 68 GLY HA2 . . . 75 . HN . . . . . 75 . HA2 . . rr_1nct 1 402 1 . . 1 1 84 84 ASN H H . . . 1 1 84 84 ASN HB2 H . . . . . 3.4 0.9 3.55 . . . . . A . 69 ASN H . . A . 69 ASN HB2 . . . 76 . HN . . . . . 76 . HB2 . . rr_1nct 1 403 1 . . 1 1 84 84 ASN H H . . . 1 1 84 84 ASN HB3 H . . . . . 3.4 0.9 3.55 . . . . . A . 69 ASN H . . A . 69 ASN HB3 . . . 76 . HN . . . . . 76 . HB1 . . rr_1nct 1 404 1 . . 1 1 84 84 ASN HA H . . . 1 1 84 84 ASN HB2 H . . . . . 2.9 0.4 3.05 . . . . . A . 69 ASN HA . . A . 69 ASN HB2 . . . 76 . HA . . . . . 76 . HB2 . . rr_1nct 1 405 1 . . 1 1 84 84 ASN HA H . . . 1 1 84 84 ASN HB3 H . . . . . 3.1 0.6 3.25 . . . . . A . 69 ASN HA . . A . 69 ASN HB3 . . . 76 . HA . . . . . 76 . HB1 . . rr_1nct 1 406 1 . . 1 1 84 84 ASN HB2 H . . . 1 1 84 84 ASN HD21 H . . . . . 3.0 0.5 3.15 . . . . . A . 69 ASN HB2 . . A . 69 ASN HD21 . . . 76 . HB2 . . . . . 76 . HD21 . . rr_1nct 1 407 1 . . 1 1 84 84 ASN HB3 H . . . 1 1 84 84 ASN HD21 H . . . . . 3.1 0.6 3.25 . . . . . A . 69 ASN HB3 . . A . 69 ASN HD21 . . . 76 . HB1 . . . . . 76 . HD21 . . rr_1nct 1 408 1 . . 1 1 84 84 ASN HB3 H . . . 1 1 84 84 ASN HD22 H . . . . . 3.9 1.4 4.05 . . . . . A . 69 ASN HB3 . . A . 69 ASN HD22 . . . 76 . HB1 . . . . . 76 . HD22 . . rr_1nct 1 409 1 . . 1 1 84 84 ASN HB2 H . . . 1 1 84 84 ASN HD22 H . . . . . 3.7 1.2 3.85 . . . . . A . 69 ASN HB2 . . A . 69 ASN HD22 . . . 76 . HB2 . . . . . 76 . HD22 . . rr_1nct 1 410 1 . . 1 1 84 84 ASN HA H . . . 1 1 84 84 ASN HB2 H . . . . . 2.7 0.2 2.85 . . . . . A . 69 ASN HA . . A . 69 ASN HB2 . . . 76 . HA . . . . . 76 . HB2 . . rr_1nct 1 411 1 . . 1 1 84 84 ASN HA H . . . 1 1 84 84 ASN HB3 H . . . . . 3.1 0.6 3.25 . . . . . A . 69 ASN HA . . A . 69 ASN HB3 . . . 76 . HA . . . . . 76 . HB1 . . rr_1nct 1 412 1 . . 1 1 85 85 TYR H H . . . 1 1 85 85 TYR HA H . . . . . 3.0 0.5 3.15 . . . . . A . 70 TYR H . . A . 70 TYR HA . . . 77 . HN . . . . . 77 . HA . . rr_1nct 1 413 1 . . 1 1 86 86 SER HA H . . . 1 1 86 86 SER HB2 H . . . . . 2.6 0.1 2.75 . . . . . A . 71 SER HA . . A . 71 SER HB2 . . . 78 . HA . . . . . 78 . HB2 . . rr_1nct 1 414 1 . . 1 1 86 86 SER HA H . . . 1 1 86 86 SER HB3 H . . . . . 2.9 0.4 3.05 . . . . . A . 71 SER HA . . A . 71 SER HB3 . . . 78 . HA . . . . . 78 . HB1 . . rr_1nct 1 415 1 . . 1 1 87 87 VAL H H . . . 1 1 87 87 VAL HB H . . . . . 3.3 0.8 3.45 . . . . . A . 72 VAL H . . A . 72 VAL HB . . . 79 . HN . . . . . 79 . HB . . rr_1nct 1 416 1 . . 1 1 87 87 VAL H H . . . 1 1 87 87 VAL MG1 H . . . . . 4.3 1.8 4.45 . . . . . A . 72 VAL H . . A . 72 VAL MG1 . . . 79 . HN . . . . . 79 . HG1# . . rr_1nct 1 417 1 . . 1 1 87 87 VAL H H . . . 1 1 87 87 VAL MG2 H . . . . . 4.8 2.3 4.95 . . . . . A . 72 VAL H . . A . 72 VAL MG2 . . . 79 . HN . . . . . 79 . HG2# . . rr_1nct 1 418 1 . . 1 1 87 87 VAL HA H . . . 1 1 87 87 VAL HB H . . . . . 2.7 0.2 2.85 . . . . . A . 72 VAL HA . . A . 72 VAL HB . . . 79 . HA . . . . . 79 . HB . . rr_1nct 1 419 1 . . 1 1 87 87 VAL HA H . . . 1 1 87 87 VAL MG1 H . . . . . 3.9 1.4 4.05 . . . . . A . 72 VAL HA . . A . 72 VAL MG1 . . . 79 . HA . . . . . 79 . HG1# . . rr_1nct 1 420 1 . . 1 1 87 87 VAL HA H . . . 1 1 87 87 VAL MG2 H . . . . . 3.6 1.1 3.75 . . . . . A . 72 VAL HA . . A . 72 VAL MG2 . . . 79 . HA . . . . . 79 . HG2# . . rr_1nct 1 421 1 . . 1 1 89 89 VAL H H . . . 1 1 89 89 VAL HB H . . . . . 2.9 0.4 3.05 . . . . . A . 74 VAL H . . A . 74 VAL HB . . . 81 . HN . . . . . 81 . HB . . rr_1nct 1 422 1 . . 1 1 89 89 VAL HB H . . . 1 1 89 89 VAL HA H . . . . . 2.8 0.3 2.95 . . . . . A . 74 VAL HB . . A . 74 VAL HA . . . 81 . HB . . . . . 81 . HA . . rr_1nct 1 423 1 . . 1 1 91 91 ASN HA H . . . 1 1 91 91 ASN HB2 H . . . . . 2.6 0.1 2.75 . . . . . A . 76 ASN HA . . A . 76 ASN HB2 . . . 83 . HA . . . . . 83 . HB2 . . rr_1nct 1 424 1 . . 1 1 91 91 ASN HA H . . . 1 1 91 91 ASN HB3 H . . . . . 2.9 0.4 3.05 . . . . . A . 76 ASN HA . . A . 76 ASN HB3 . . . 83 . HA . . . . . 83 . HB1 . . rr_1nct 1 425 1 . . 1 1 92 92 SER H H . . . 1 1 92 92 SER HA H . . . . . 2.9 0.4 3.05 . . . . . A . 77 SER H . . A . 77 SER HA . . . 84 . HN . . . . . 84 . HA . . rr_1nct 1 426 1 . . 1 1 95 95 LYS H H . . . 1 1 95 95 LYS HA H . . . . . 3.1 0.6 3.25 . . . . . A . 80 LYS H . . A . 80 LYS HA . . . 87 . HN . . . . . 87 . HA . . rr_1nct 1 427 1 . . 1 1 96 96 GLN HE21 H . . . 1 1 96 96 GLN HG3 H . . . . . 2.9 0.4 3.05 . . . . . A . 81 GLN HE21 . . A . 81 GLN HG3 . . . 88 . HE21 . . . . . 88 . HG1 . . rr_1nct 1 428 1 . . 1 1 96 96 GLN HE21 H . . . 1 1 96 96 GLN HG2 H . . . . . 2.7 0.2 2.85 . . . . . A . 81 GLN HE21 . . A . 81 GLN HG2 . . . 88 . HE21 . . . . . 88 . HG2 . . rr_1nct 1 429 1 OR . 1 1 96 96 GLN HE21 H . . . 1 1 96 96 GLN HB2 H . . . . . 4.2 1.7 4.35 . . . . . A . 81 GLN HE21 . . A . 81 GLN HB2 . . . 88 . HE21 . . . . . 88 . HB# . . rr_1nct 1 429 2 OR . 1 1 96 96 GLN HE21 H . . . 1 1 96 96 GLN HB3 H . . . . . 4.2 1.7 4.35 . . . . . A . 81 GLN HE21 . . A . 81 GLN HB3 . . . 88 . HE21 . . . . . 88 . HB# . . rr_1nct 1 430 1 . . 1 1 96 96 GLN HE22 H . . . 1 1 96 96 GLN HG3 H . . . . . 3.8 1.3 3.95 . . . . . A . 81 GLN HE22 . . A . 81 GLN HG3 . . . 88 . HE22 . . . . . 88 . HG1 . . rr_1nct 1 431 1 . . 1 1 96 96 GLN HE22 H . . . 1 1 96 96 GLN HG2 H . . . . . 3.6 1.1 3.75 . . . . . A . 81 GLN HE22 . . A . 81 GLN HG2 . . . 88 . HE22 . . . . . 88 . HG2 . . rr_1nct 1 432 1 OR . 1 1 96 96 GLN HE22 H . . . 1 1 96 96 GLN HB2 H . . . . . 4.6 2.1 4.75 . . . . . A . 81 GLN HE22 . . A . 81 GLN HB2 . . . 88 . HE22 . . . . . 88 . HB# . . rr_1nct 1 432 2 OR . 1 1 96 96 GLN HB3 H . . . 1 1 96 96 GLN HE22 H . . . . . 4.6 2.1 4.75 . . . . . A . 81 GLN HB3 . . A . 81 GLN HE22 . . . 88 . HB# . . . . . 88 . HE22 . . rr_1nct 1 433 1 . . 1 1 97 97 GLU HA H . . . 1 1 97 97 GLU HB2 H . . . . . 2.9 0.4 3.05 . . . . . A . 82 GLU HA . . A . 82 GLU HB2 . . . 89 . HA . . . . . 89 . HB2 . . rr_1nct 1 434 1 . . 1 1 97 97 GLU HA H . . . 1 1 97 97 GLU HB3 H . . . . . 2.6 0.1 2.75 . . . . . A . 82 GLU HA . . A . 82 GLU HB3 . . . 89 . HA . . . . . 89 . HB1 . . rr_1nct 1 435 1 . . 1 1 100 100 PHE HB2 H . . . 1 1 100 100 PHE HA H . . . . . 2.6 0.1 2.75 . . . . . A . 85 PHE HB2 . . A . 85 PHE HA . . . 92 . HB2 . . . . . 92 . HA . . rr_1nct 1 436 1 . . 1 1 100 100 PHE HB3 H . . . 1 1 100 100 PHE HA H . . . . . 3.0 0.5 3.15 . . . . . A . 85 PHE HB3 . . A . 85 PHE HA . . . 92 . HB1 . . . . . 92 . HA . . rr_1nct 1 437 1 . . 1 1 101 101 THR H H . . . 1 1 101 101 THR MG H . . . . . 4.8 2.3 4.95 . . . . . A . 86 THR H . . A . 86 THR MG . . . 93 . HN . . . . . 93 . HG2# . . rr_1nct 1 438 1 . . 1 1 101 101 THR H H . . . 1 1 101 101 THR HB H . . . . . 3.6 1.1 3.75 . . . . . A . 86 THR H . . A . 86 THR HB . . . 93 . HN . . . . . 93 . HB . . rr_1nct 1 439 1 . . 1 1 101 101 THR HA H . . . 1 1 101 101 THR MG H . . . . . 3.7 1.2 3.85 . . . . . A . 86 THR HA . . A . 86 THR MG . . . 93 . HA . . . . . 93 . HG2# . . rr_1nct 1 440 1 OR . 1 1 102 102 LEU H H . . . 1 1 102 102 LEU HB2 H . . . . . 4.0 1.5 4.15 . . . . . A . 87 LEU H . . A . 87 LEU HB2 . . . 94 . HN . . . . . 94 . HB# . . rr_1nct 1 440 2 OR . 1 1 102 102 LEU H H . . . 1 1 102 102 LEU HB3 H . . . . . 4.0 1.5 4.15 . . . . . A . 87 LEU H . . A . 87 LEU HB3 . . . 94 . HN . . . . . 94 . HB# . . rr_1nct 1 441 1 . . 1 1 102 102 LEU H H . . . 1 1 102 102 LEU HG H . . . . . 4.4 1.9 4.55 . . . . . A . 87 LEU H . . A . 87 LEU HG . . . 94 . HN . . . . . 94 . HG . . rr_1nct 1 442 1 . . 1 1 102 102 LEU MD1 H . . . 1 1 102 102 LEU HA H . . . . . 3.9 1.4 4.05 . . . . . A . 87 LEU MD1 . . A . 87 LEU HA . . . 94 . HD1# . . . . . 94 . HA . . rr_1nct 1 443 1 . . 1 1 102 102 LEU HA H . . . 1 1 102 102 LEU MD2 H . . . . . 4.4 1.9 4.55 . . . . . A . 87 LEU HA . . A . 87 LEU MD2 . . . 94 . HA . . . . . 94 . HD2# . . rr_1nct 1 444 1 . . 1 1 103 103 THR HA H . . . 1 1 103 103 THR MG H . . . . . 3.6 1.1 3.75 . . . . . A . 88 THR HA . . A . 88 THR MG . . . 95 . HA . . . . . 95 . HG2# . . rr_1nct 1 445 1 . . 1 1 104 104 ILE HA H . . . 1 1 104 104 ILE HB H . . . . . 2.8 0.3 2.95 . . . . . A . 89 ILE HA . . A . 89 ILE HB . . . 96 . HA . . . . . 96 . HB . . rr_1nct 1 446 1 . . 1 1 104 104 ILE MG H . . . 1 1 104 104 ILE HA H . . . . . 3.5 1.0 3.65 . . . . . A . 89 ILE MG . . A . 89 ILE HA . . . 96 . HG2# . . . . . 96 . HA . . rr_1nct 1 447 1 . . 1 1 104 104 ILE MD H . . . 1 1 104 104 ILE HA H . . . . . 4.0 1.5 4.15 . . . . . A . 89 ILE MD . . A . 89 ILE HA . . . 96 . HD1# . . . . . 96 . HA . . rr_1nct 1 448 1 . . 1 1 105 105 GLN HA H . . . 1 1 105 105 GLN HE21 H . . . . . 3.3 0.8 3.45 . . . . . A . 90 GLN HA . . A . 90 GLN HE21 . . . 97 . HA . . . . . 97 . HE21 . . rr_1nct 1 449 1 . . 1 1 105 105 GLN HA H . . . 1 1 105 105 GLN HE22 H . . . . . 3.8 1.3 3.95 . . . . . A . 90 GLN HA . . A . 90 GLN HE22 . . . 97 . HA . . . . . 97 . HE22 . . rr_1nct 1 450 1 . . 1 1 11 11 THR H H . . . 1 1 12 12 THR H H . . . . . 3.4 0.9 3.55 . . . . . . . . . . . . . . . . . . . . 3 . HN . . . . . 4 . HN . . rr_1nct 1 451 1 . . 1 1 13 13 LEU H H . . . 1 1 12 12 THR H H . . . . . 3.6 1.1 3.75 . . . . . . . . . . . . . . . . . . . . 5 . HN . . . . . 4 . HN . . rr_1nct 1 452 1 . . 1 1 13 13 LEU H H . . . 1 1 14 14 ALA H H . . . . . 4.1 1.6 4.25 . . . . . . . . . . . . . . . . . . . . 5 . HN . . . . . 6 . HN . . rr_1nct 1 453 1 . . 1 1 13 13 LEU H H . . . 1 1 41 41 GLU H H . . . . . 4.5 2.0 4.65 . . . . . . . . . . . . A . 26 GLU H . . . 5 . HN . . . . . 33 . HN . . rr_1nct 1 454 1 . . 1 1 14 14 ALA H H . . . 1 1 15 15 ALA H H . . . . . 4.0 1.5 4.15 . . . . . . . . . . . . . . . . . . . . 6 . HN . . . . . 7 . HN . . rr_1nct 1 455 1 . . 1 1 15 15 ALA H H . . . 1 1 94 94 GLY H H . . . . . 3.6 1.1 3.75 . . . . . . . . . . . . A . 79 GLY H . . . 7 . HN . . . . . 86 . HN . . rr_1nct 1 456 1 . . 1 1 15 15 ALA H H . . . 1 1 16 16 ARG H H . . . . . 4.6 2.1 4.75 . . . . . . . . . . . . A . 1 ARG H . . . 7 . HN . . . . . 8 . HN . . rr_1nct 1 457 1 . . 1 1 16 16 ARG H H . . . 1 1 39 39 ASP H H . . . . . 3.5 1.0 3.65 . . . . . A . 1 ARG H . . A . 24 ASP H . . . 8 . HN . . . . . 31 . HN . . rr_1nct 1 458 1 . . 1 1 18 18 LEU H H . . . 1 1 19 19 THR H H . . . . . 3.1 0.6 3.25 . . . . . A . 3 LEU H . . A . 4 THR H . . . 10 . HN . . . . . 11 . HN . . rr_1nct 1 459 1 . . 1 1 18 18 LEU H H . . . 1 1 39 39 ASP H H . . . . . 3.9 1.4 4.05 . . . . . A . 3 LEU H . . A . 24 ASP H . . . 10 . HN . . . . . 31 . HN . . rr_1nct 1 460 1 . . 1 1 19 19 THR H H . . . 1 1 37 37 ASP H H . . . . . 3.2 0.7 3.35 . . . . . A . 4 THR H . . A . 22 ASP H . . . 11 . HN . . . . . 29 . HN . . rr_1nct 1 461 1 . . 1 1 19 19 THR H H . . . 1 1 20 20 LYS H H . . . . . 4.8 2.3 4.95 . . . . . A . 4 THR H . . A . 5 LYS H . . . 11 . HN . . . . . 12 . HN . . rr_1nct 1 462 1 . . 1 1 24 24 MET H H . . . 1 1 101 101 THR H H . . . . . 4.4 1.9 4.55 . . . . . A . 9 MET H . . A . 86 THR H . . . 16 . HN . . . . . 93 . HN . . rr_1nct 1 463 1 . . 1 1 24 24 MET H H . . . 1 1 103 103 THR H H . . . . . 5.8 3.3 5.95 . . . . . A . 9 MET H . . A . 88 THR H . . . 16 . HN . . . . . 95 . HN . . rr_1nct 1 464 1 . . 1 1 26 26 VAL H H . . . 1 1 103 103 THR H H . . . . . 4.2 1.7 4.35 . . . . . A . 11 VAL H . . A . 88 THR H . . . 18 . HN . . . . . 95 . HN . . rr_1nct 1 465 1 . . 1 1 26 26 VAL H H . . . 1 1 105 105 GLN H H . . . . . 5.5 3.0 5.65 . . . . . A . 11 VAL H . . A . 90 GLN H . . . 18 . HN . . . . . 97 . HN . . rr_1nct 1 466 1 . . 1 1 27 27 TYR H H . . . 1 1 28 28 GLU H H . . . . . 3.1 0.6 3.25 . . . . . A . 12 TYR H . . A . 13 GLU H . . . 19 . HN . . . . . 20 . HN . . rr_1nct 1 467 1 . . 1 1 29 29 GLY H H . . . 1 1 77 77 VAL H H . . . . . 4.5 2.0 4.65 . . . . . A . 14 GLY H . . A . 62 VAL H . . . 21 . HN . . . . . 69 . HN . . rr_1nct 1 468 1 . . 1 1 29 29 GLY H H . . . 1 1 30 30 GLU H H . . . . . 3.3 0.8 3.45 . . . . . A . 14 GLY H . . A . 15 GLU H . . . 21 . HN . . . . . 22 . HN . . rr_1nct 1 469 1 . . 1 1 30 30 GLU H H . . . 1 1 31 31 SER H H . . . . . 3.3 0.8 3.45 . . . . . A . 15 GLU H . . A . 16 SER H . . . 22 . HN . . . . . 23 . HN . . rr_1nct 1 470 1 . . 1 1 28 28 GLU H H . . . 1 1 30 30 GLU H H . . . . . 3.4 0.9 3.55 . . . . . A . 13 GLU H . . A . 15 GLU H . . . 20 . HN . . . . . 22 . HN . . rr_1nct 1 471 1 . . 1 1 32 32 ALA H H . . . 1 1 33 33 ARG H H . . . . . 4.5 2.0 4.65 . . . . . A . 17 ALA H . . A . 18 ARG H . . . 24 . HN . . . . . 25 . HN . . rr_1nct 1 472 1 . . 1 1 34 34 PHE H H . . . 1 1 74 74 ILE H H . . . . . 5.3 2.8 5.45 . . . . . A . 19 PHE H . . A . 59 ILE H . . . 26 . HN . . . . . 66 . HN . . rr_1nct 1 473 1 . . 1 1 34 34 PHE H H . . . 1 1 72 72 PHE H H . . . . . 3.1 0.6 3.25 . . . . . A . 19 PHE H . . A . 57 PHE H . . . 26 . HN . . . . . 64 . HN . . rr_1nct 1 474 1 . . 1 1 22 22 ARG H H . . . 1 1 35 35 SER H H . . . . . 4.5 2.0 4.65 . . . . . A . 7 ARG H . . A . 20 SER H . . . 14 . HN . . . . . 27 . HN . . rr_1nct 1 475 1 . . 1 1 36 36 CYS H H . . . 1 1 70 70 SER H H . . . . . 3.2 0.7 3.35 . . . . . A . 21 CYS H . . A . 55 SER H . . . 28 . HN . . . . . 62 . HN . . rr_1nct 1 476 1 . . 1 1 45 45 THR H H . . . 1 1 90 90 GLU H H . . . . . 3.3 0.8 3.45 . . . . . A . 30 THR H . . A . 75 GLU H . . . 37 . HN . . . . . 82 . HN . . rr_1nct 1 477 1 . . 1 1 45 45 THR H H . . . 1 1 46 46 VAL H H . . . . . 4.8 2.3 4.95 . . . . . A . 30 THR H . . A . 31 VAL H . . . 37 . HN . . . . . 38 . HN . . rr_1nct 1 478 1 . . 1 1 47 47 THR H H . . . 1 1 88 88 VAL H H . . . . . 3.3 0.8 3.45 . . . . . A . 32 THR H . . A . 73 VAL H . . . 39 . HN . . . . . 80 . HN . . rr_1nct 1 479 1 . . 1 1 49 49 LEU H H . . . 1 1 86 86 SER H H . . . . . 3.1 0.6 3.25 . . . . . A . 34 LEU H . . A . 71 SER H . . . 41 . HN . . . . . 78 . HN . . rr_1nct 1 480 1 . . 1 1 50 50 ARG H H . . . 1 1 53 53 GLN H H . . . . . 4.4 1.9 4.55 . . . . . A . 35 ARG H . . A . 38 GLN H . . . 42 . HN . . . . . 45 . HN . . rr_1nct 1 481 1 . . 1 1 51 51 LYS H H . . . 1 1 52 52 GLY H H . . . . . 2.8 0.3 2.95 . . . . . A . 36 LYS H . . A . 37 GLY H . . . 43 . HN . . . . . 44 . HN . . rr_1nct 1 482 1 . . 1 1 52 52 GLY H H . . . 1 1 53 53 GLN H H . . . . . 3.5 1.0 3.65 . . . . . A . 37 GLY H . . A . 38 GLN H . . . 44 . HN . . . . . 45 . HN . . rr_1nct 1 483 1 . . 1 1 53 53 GLN H H . . . 1 1 54 54 VAL H H . . . . . 3.6 1.1 3.75 . . . . . A . 38 GLN H . . A . 39 VAL H . . . 45 . HN . . . . . 46 . HN . . rr_1nct 1 484 1 . . 1 1 55 55 LEU H H . . . 1 1 56 56 SER H H . . . . . 4.2 1.7 4.35 . . . . . A . 40 LEU H . . A . 41 SER H . . . 47 . HN . . . . . 48 . HN . . rr_1nct 1 485 1 . . 1 1 57 57 THR H H . . . 1 1 58 58 SER H H . . . . . 3.3 0.8 3.45 . . . . . A . 42 THR H . . A . 43 SER H . . . 49 . HN . . . . . 50 . HN . . rr_1nct 1 486 1 . . 1 1 58 58 SER H H . . . 1 1 61 61 HIS H H . . . . . 3.6 1.1 3.75 . . . . . A . 43 SER H . . A . 46 HIS H . . . 50 . HN . . . . . 53 . HN . . rr_1nct 1 487 1 . . 1 1 59 59 ALA H H . . . 1 1 60 60 ARG H H . . . . . 3.3 0.8 3.45 . . . . . A . 44 ALA H . . A . 45 ARG H . . . 51 . HN . . . . . 52 . HN . . rr_1nct 1 488 1 . . 1 1 60 60 ARG H H . . . 1 1 61 61 HIS H H . . . . . 2.9 0.4 3.05 . . . . . A . 45 ARG H . . A . 46 HIS H . . . 52 . HN . . . . . 53 . HN . . rr_1nct 1 489 1 . . 1 1 62 62 GLN H H . . . 1 1 73 73 GLU H H . . . . . 3.8 1.3 3.95 . . . . . A . 47 GLN H . . A . 58 GLU H . . . 54 . HN . . . . . 65 . HN . . rr_1nct 1 490 1 . . 1 1 57 57 THR H H . . . 1 1 63 63 VAL H H . . . . . 4.2 1.7 4.35 . . . . . A . 42 THR H . . A . 48 VAL H . . . 49 . HN . . . . . 55 . HN . . rr_1nct 1 491 1 . . 1 1 64 64 THR H H . . . 1 1 71 71 THR H H . . . . . 3.3 0.8 3.45 . . . . . A . 49 THR H . . A . 56 THR H . . . 56 . HN . . . . . 63 . HN . . rr_1nct 1 492 1 . . 1 1 66 66 THR H H . . . 1 1 69 69 LYS H H . . . . . 3.3 0.8 3.45 . . . . . A . 51 THR H . . A . 54 LYS H . . . 58 . HN . . . . . 61 . HN . . rr_1nct 1 493 1 . . 1 1 67 67 LYS H H . . . 1 1 69 69 LYS H H . . . . . 3.7 1.2 3.85 . . . . . A . 52 LYS H . . A . 54 LYS H . . . 59 . HN . . . . . 61 . HN . . rr_1nct 1 494 1 . . 1 1 68 68 TYR H H . . . 1 1 69 69 LYS H H . . . . . 2.6 0.1 2.75 . . . . . A . 53 TYR H . . A . 54 LYS H . . . 60 . HN . . . . . 61 . HN . . rr_1nct 1 495 1 . . 1 1 32 32 ALA H H . . . 1 1 74 74 ILE H H . . . . . 4.6 2.1 4.75 . . . . . A . 17 ALA H . . A . 59 ILE H . . . 24 . HN . . . . . 66 . HN . . rr_1nct 1 496 1 . . 1 1 76 76 SER H H . . . 1 1 77 77 VAL H H . . . . . 3.9 1.4 4.05 . . . . . A . 61 SER H . . A . 62 VAL H . . . 68 . HN . . . . . 69 . HN . . rr_1nct 1 497 1 . . 1 1 79 79 ALA H H . . . 1 1 80 80 SER H H . . . . . 4.2 1.7 4.35 . . . . . A . 64 ALA H . . A . 65 SER H . . . 71 . HN . . . . . 72 . HN . . rr_1nct 1 498 1 . . 1 1 81 81 ASP H H . . . 1 1 82 82 GLU H H . . . . . 2.5 0.0 2.65 . . . . . A . 66 ASP H . . A . 67 GLU H . . . 73 . HN . . . . . 74 . HN . . rr_1nct 1 499 1 . . 1 1 82 82 GLU H H . . . 1 1 83 83 GLY H H . . . . . 5.1 2.6 5.25 . . . . . A . 67 GLU H . . A . 68 GLY H . . . 74 . HN . . . . . 75 . HN . . rr_1nct 1 500 1 . . 1 1 83 83 GLY H H . . . 1 1 84 84 ASN H H . . . . . 3.5 1.0 3.65 . . . . . A . 68 GLY H . . A . 69 ASN H . . . 75 . HN . . . . . 76 . HN . . rr_1nct 1 501 1 . . 1 1 83 83 GLY H H . . . 1 1 102 102 LEU H H . . . . . 5.2 2.7 5.35 . . . . . A . 68 GLY H . . A . 87 LEU H . . . 75 . HN . . . . . 94 . HN . . rr_1nct 1 502 1 . . 1 1 85 85 TYR H H . . . 1 1 100 100 PHE H H . . . . . 3.9 1.4 4.05 . . . . . A . 70 TYR H . . A . 85 PHE H . . . 77 . HN . . . . . 92 . HN . . rr_1nct 1 503 1 . . 1 1 87 87 VAL H H . . . 1 1 98 98 ALA H H . . . . . 3.2 0.7 3.35 . . . . . A . 72 VAL H . . A . 83 ALA H . . . 79 . HN . . . . . 90 . HN . . rr_1nct 1 504 1 . . 1 1 91 91 ASN H H . . . 1 1 94 94 GLY H H . . . . . 3.1 0.6 3.25 . . . . . A . 76 ASN H . . A . 79 GLY H . . . 83 . HN . . . . . 86 . HN . . rr_1nct 1 505 1 . . 1 1 92 92 SER H H . . . 1 1 93 93 GLU H H . . . . . 3.3 0.8 3.45 . . . . . A . 77 SER H . . A . 78 GLU H . . . 84 . HN . . . . . 85 . HN . . rr_1nct 1 506 1 . . 1 1 41 41 GLU H H . . . 1 1 92 92 SER H H . . . . . 6.2 3.7 6.35 . . . . . A . 26 GLU H . . A . 77 SER H . . . 33 . HN . . . . . 84 . HN . . rr_1nct 1 507 1 . . 1 1 93 93 GLU H H . . . 1 1 94 94 GLY H H . . . . . 2.9 0.4 3.05 . . . . . A . 78 GLU H . . A . 79 GLY H . . . 85 . HN . . . . . 86 . HN . . rr_1nct 1 508 1 . . 1 1 91 91 ASN H H . . . 1 1 93 93 GLU H H . . . . . 3.7 1.2 3.85 . . . . . A . 76 ASN H . . A . 78 GLU H . . . 83 . HN . . . . . 85 . HN . . rr_1nct 1 509 1 . . 1 1 94 94 GLY H H . . . 1 1 95 95 LYS H H . . . . . 4.4 1.9 4.55 . . . . . A . 79 GLY H . . A . 80 LYS H . . . 86 . HN . . . . . 87 . HN . . rr_1nct 1 510 1 . . 1 1 104 104 ILE H H . . . 1 1 105 105 GLN H H . . . . . 4.1 1.6 4.25 . . . . . A . 89 ILE H . . A . 90 GLN H . . . 96 . HN . . . . . 97 . HN . . rr_1nct 1 511 1 . . 1 1 105 105 GLN H H . . . 1 1 106 106 LYS H H . . . . . 4.1 1.6 4.25 . . . . . A . 90 GLN H . . A . 91 LYS H . . . 97 . HN . . . . . 98 . HN . . rr_1nct 1 512 1 . . 1 1 12 12 THR H H . . . 1 1 41 41 GLU HA H . . . . . 6.2 3.7 6.35 . . . . . . . . . . . . A . 26 GLU HA . . . 4 . HN . . . . . 33 . HA . . rr_1nct 1 513 1 OR . 1 1 14 14 ALA H H . . . 1 1 94 94 GLY HA2 H . . . . . 5.6 3.1 5.75 . . . . . . . . . . . . A . 79 GLY HA2 . . . 6 . HN . . . . . 86 . HA# . . rr_1nct 1 513 2 OR . 1 1 14 14 ALA H H . . . 1 1 94 94 GLY HA3 H . . . . . 5.6 3.1 5.75 . . . . . . . . . . . . A . 79 GLY HA3 . . . 6 . HN . . . . . 86 . HA# . . rr_1nct 1 514 1 OR . 1 1 15 15 ALA H H . . . 1 1 94 94 GLY HA2 H . . . . . 3.8 1.3 3.95 . . . . . . . . . . . . A . 79 GLY HA2 . . . 7 . HN . . . . . 86 . HA# . . rr_1nct 1 514 2 OR . 1 1 15 15 ALA H H . . . 1 1 94 94 GLY HA3 H . . . . . 3.8 1.3 3.95 . . . . . . . . . . . . A . 79 GLY HA3 . . . 7 . HN . . . . . 86 . HA# . . rr_1nct 1 515 1 OR . 1 1 16 16 ARG H H . . . 1 1 94 94 GLY HA2 H . . . . . 6.6 4.1 6.75 . . . . . A . 1 ARG H . . A . 79 GLY HA2 . . . 8 . HN . . . . . 86 . HA# . . rr_1nct 1 515 2 OR . 1 1 16 16 ARG H H . . . 1 1 94 94 GLY HA3 H . . . . . 6.6 4.1 6.75 . . . . . A . 1 ARG H . . A . 79 GLY HA3 . . . 8 . HN . . . . . 86 . HA# . . rr_1nct 1 516 1 . . 1 1 18 18 LEU H H . . . 1 1 38 38 THR HA H . . . . . 3.2 0.7 3.35 . . . . . A . 3 LEU H . . A . 23 THR HA . . . 10 . HN . . . . . 30 . HA . . rr_1nct 1 517 1 . . 1 1 19 19 THR H H . . . 1 1 38 38 THR HA H . . . . . 4.5 2.0 4.65 . . . . . A . 4 THR H . . A . 23 THR HA . . . 11 . HN . . . . . 30 . HA . . rr_1nct 1 518 1 . . 1 1 24 24 MET H H . . . 1 1 102 102 LEU HA H . . . . . 3.3 0.8 3.45 . . . . . A . 9 MET H . . A . 87 LEU HA . . . 16 . HN . . . . . 94 . HA . . rr_1nct 1 519 1 . . 1 1 26 26 VAL H H . . . 1 1 104 104 ILE HA H . . . . . 3.0 0.5 3.15 . . . . . A . 11 VAL H . . A . 89 ILE HA . . . 18 . HN . . . . . 96 . HA . . rr_1nct 1 520 1 . . 1 1 34 34 PHE H H . . . 1 1 73 73 GLU HA H . . . . . 3.0 0.5 3.15 . . . . . A . 19 PHE H . . A . 58 GLU HA . . . 26 . HN . . . . . 65 . HA . . rr_1nct 1 521 1 . . 1 1 21 21 PRO HA H . . . 1 1 35 35 SER H H . . . . . 3.6 1.1 3.75 . . . . . A . 6 PRO HA . . A . 20 SER H . . . 13 . HA . . . . . 27 . HN . . rr_1nct 1 522 1 . . 1 1 36 36 CYS H H . . . 1 1 71 71 THR HA H . . . . . 3.2 0.7 3.35 . . . . . A . 21 CYS H . . A . 56 THR HA . . . 28 . HN . . . . . 63 . HA . . rr_1nct 1 523 1 . . 1 1 37 37 ASP H H . . . 1 1 20 20 LYS HA H . . . . . 3.8 1.3 3.95 . . . . . A . 22 ASP H . . A . 5 LYS HA . . . 29 . HN . . . . . 12 . HA . . rr_1nct 1 524 1 . . 1 1 17 17 ILE HA H . . . 1 1 39 39 ASP H H . . . . . 4.2 1.7 4.35 . . . . . A . 2 ILE HA . . A . 24 ASP H . . . 9 . HA . . . . . 31 . HN . . rr_1nct 1 525 1 . . 1 1 41 41 GLU H H . . . 1 1 15 15 ALA HA H . . . . . 5.4 2.9 5.55 . . . . . A . 26 GLU H . . . . . . . . . . 33 . HN . . . . . 7 . HA . . rr_1nct 1 526 1 . . 1 1 43 43 VAL H H . . . 1 1 41 41 GLU HA H . . . . . 3.5 1.0 3.65 . . . . . A . 28 VAL H . . A . 26 GLU HA . . . 35 . HN . . . . . 33 . HA . . rr_1nct 1 527 1 . . 1 1 45 45 THR H H . . . 1 1 89 89 VAL HA H . . . . . 4.9 2.4 5.05 . . . . . A . 30 THR H . . A . 74 VAL HA . . . 37 . HN . . . . . 81 . HA . . rr_1nct 1 528 1 . . 1 1 45 45 THR H H . . . 1 1 91 91 ASN HA H . . . . . 4.0 1.5 4.15 . . . . . A . 30 THR H . . A . 76 ASN HA . . . 37 . HN . . . . . 83 . HA . . rr_1nct 1 529 1 . . 1 1 47 47 THR H H . . . 1 1 89 89 VAL HA H . . . . . 3.6 1.1 3.75 . . . . . A . 32 THR H . . A . 74 VAL HA . . . 39 . HN . . . . . 81 . HA . . rr_1nct 1 530 1 . . 1 1 49 49 LEU H H . . . 1 1 87 87 VAL HA H . . . . . 3.2 0.7 3.35 . . . . . A . 34 LEU H . . A . 72 VAL HA . . . 41 . HN . . . . . 79 . HA . . rr_1nct 1 531 1 . . 1 1 49 49 LEU HA H . . . 1 1 54 54 VAL H H . . . . . 5.2 2.7 5.35 . . . . . A . 34 LEU HA . . A . 39 VAL H . . . 41 . HA . . . . . 46 . HN . . rr_1nct 1 532 1 . . 1 1 49 49 LEU HA H . . . 1 1 55 55 LEU H H . . . . . 5.1 2.6 5.25 . . . . . A . 34 LEU HA . . A . 40 LEU H . . . 41 . HA . . . . . 47 . HN . . rr_1nct 1 533 1 . . 1 1 59 59 ALA HA H . . . 1 1 61 61 HIS H H . . . . . 4.6 2.1 4.75 . . . . . A . 44 ALA HA . . A . 46 HIS H . . . 51 . HA . . . . . 53 . HN . . rr_1nct 1 534 1 . . 1 1 57 57 THR HA H . . . 1 1 61 61 HIS H H . . . . . 4.8 2.3 4.95 . . . . . A . 42 THR HA . . A . 46 HIS H . . . 49 . HA . . . . . 53 . HN . . rr_1nct 1 535 1 . . 1 1 62 62 GLN H H . . . 1 1 74 74 ILE HA H . . . . . 3.3 0.8 3.45 . . . . . A . 47 GLN H . . A . 59 ILE HA . . . 54 . HN . . . . . 66 . HA . . rr_1nct 1 536 1 . . 1 1 57 57 THR HA H . . . 1 1 63 63 VAL H H . . . . . 5.0 2.5 5.15 . . . . . A . 42 THR HA . . A . 48 VAL H . . . 49 . HA . . . . . 55 . HN . . rr_1nct 1 537 1 . . 1 1 64 64 THR H H . . . 1 1 72 72 PHE HA H . . . . . 3.2 0.7 3.35 . . . . . A . 49 THR H . . A . 57 PHE HA . . . 56 . HN . . . . . 64 . HA . . rr_1nct 1 538 1 . . 1 1 66 66 THR H H . . . 1 1 70 70 SER HA H . . . . . 3.1 0.6 3.25 . . . . . A . 51 THR H . . A . 55 SER HA . . . 58 . HN . . . . . 62 . HA . . rr_1nct 1 539 1 . . 1 1 65 65 THR HA H . . . 1 1 69 69 LYS H H . . . . . 5.3 2.8 5.45 . . . . . A . 50 THR HA . . A . 54 LYS H . . . 57 . HA . . . . . 61 . HN . . rr_1nct 1 540 1 . . 1 1 67 67 LYS HA H . . . 1 1 69 69 LYS H H . . . . . 4.5 2.0 4.65 . . . . . A . 52 LYS HA . . A . 54 LYS H . . . 59 . HA . . . . . 61 . HN . . rr_1nct 1 541 1 . . 1 1 37 37 ASP HA H . . . 1 1 70 70 SER H H . . . . . 3.4 0.9 3.55 . . . . . A . 22 ASP HA . . A . 55 SER H . . . 29 . HA . . . . . 62 . HN . . rr_1nct 1 542 1 . . 1 1 65 65 THR HA H . . . 1 1 71 71 THR H H . . . . . 3.1 0.6 3.25 . . . . . A . 50 THR HA . . A . 56 THR H . . . 57 . HA . . . . . 63 . HN . . rr_1nct 1 543 1 . . 1 1 35 35 SER HA H . . . 1 1 72 72 PHE H H . . . . . 3.2 0.7 3.35 . . . . . A . 20 SER HA . . A . 57 PHE H . . . 27 . HA . . . . . 64 . HN . . rr_1nct 1 544 1 . . 1 1 63 63 VAL HA H . . . 1 1 73 73 GLU H H . . . . . 3.2 0.7 3.35 . . . . . A . 48 VAL HA . . A . 58 GLU H . . . 55 . HA . . . . . 65 . HN . . rr_1nct 1 545 1 . . 1 1 33 33 ARG HA H . . . 1 1 74 74 ILE H H . . . . . 3.7 1.2 3.85 . . . . . A . 18 ARG HA . . A . 59 ILE H . . . 25 . HA . . . . . 66 . HN . . rr_1nct 1 546 1 . . 1 1 29 29 GLY HA3 H . . . 1 1 77 77 VAL H H . . . . . 3.8 1.3 3.95 . . . . . A . 14 GLY HA3 . . A . 62 VAL H . . . 21 . HA1 . . . . . 69 . HN . . rr_1nct 1 547 1 . . 1 1 85 85 TYR H H . . . 1 1 101 101 THR HA H . . . . . 3.1 0.6 3.25 . . . . . A . 70 TYR H . . A . 86 THR HA . . . 77 . HN . . . . . 93 . HA . . rr_1nct 1 548 1 . . 1 1 50 50 ARG HA H . . . 1 1 86 86 SER H H . . . . . 3.8 1.3 3.95 . . . . . A . 35 ARG HA . . A . 71 SER H . . . 42 . HA . . . . . 78 . HN . . rr_1nct 1 549 1 . . 1 1 87 87 VAL H H . . . 1 1 99 99 GLU HA H . . . . . 3.2 0.7 3.35 . . . . . A . 72 VAL H . . A . 84 GLU HA . . . 79 . HN . . . . . 91 . HA . . rr_1nct 1 550 1 . . 1 1 87 87 VAL H H . . . 1 1 97 97 GLU HA H . . . . . 5.0 2.5 5.15 . . . . . A . 72 VAL H . . A . 82 GLU HA . . . 79 . HN . . . . . 89 . HA . . rr_1nct 1 551 1 . . 1 1 89 89 VAL H H . . . 1 1 97 97 GLU HA H . . . . . 3.2 0.7 3.35 . . . . . A . 74 VAL H . . A . 82 GLU HA . . . 81 . HN . . . . . 89 . HA . . rr_1nct 1 552 1 . . 1 1 46 46 VAL HA H . . . 1 1 90 90 GLU H H . . . . . 4.0 1.5 4.15 . . . . . A . 31 VAL HA . . A . 75 GLU H . . . 38 . HA . . . . . 82 . HN . . rr_1nct 1 553 1 . . 1 1 91 91 ASN H H . . . 1 1 95 95 LYS HA H . . . . . 3.5 1.0 3.65 . . . . . A . 76 ASN H . . A . 80 LYS HA . . . 83 . HN . . . . . 87 . HA . . rr_1nct 1 554 1 . . 1 1 44 44 PRO HA H . . . 1 1 92 92 SER H H . . . . . 4.2 1.7 4.35 . . . . . A . 29 PRO HA . . A . 77 SER H . . . 36 . HA . . . . . 84 . HN . . rr_1nct 1 555 1 . . 1 1 90 90 GLU HA H . . . 1 1 94 94 GLY H H . . . . . 5.0 2.5 5.15 . . . . . A . 75 GLU HA . . A . 79 GLY H . . . 82 . HA . . . . . 86 . HN . . rr_1nct 1 556 1 . . 1 1 14 14 ALA HA H . . . 1 1 94 94 GLY H H . . . . . 3.8 1.3 3.95 . . . . . . . . . . . . A . 79 GLY H . . . 6 . HA . . . . . 86 . HN . . rr_1nct 1 557 1 . . 1 1 90 90 GLU HA H . . . 1 1 96 96 GLN H H . . . . . 3.1 0.6 3.25 . . . . . A . 75 GLU HA . . A . 81 GLN H . . . 82 . HA . . . . . 88 . HN . . rr_1nct 1 558 1 . . 1 1 88 88 VAL HA H . . . 1 1 98 98 ALA H H . . . . . 3.4 0.9 3.55 . . . . . A . 73 VAL HA . . A . 83 ALA H . . . 80 . HA . . . . . 90 . HN . . rr_1nct 1 559 1 . . 1 1 86 86 SER HA H . . . 1 1 100 100 PHE H H . . . . . 3.3 0.8 3.45 . . . . . A . 71 SER HA . . A . 85 PHE H . . . 78 . HA . . . . . 92 . HN . . rr_1nct 1 560 1 . . 1 1 84 84 ASN HA H . . . 1 1 102 102 LEU H H . . . . . 3.8 1.3 3.95 . . . . . A . 69 ASN HA . . A . 87 LEU H . . . 76 . HA . . . . . 94 . HN . . rr_1nct 1 561 1 . . 1 1 25 25 THR HA H . . . 1 1 103 103 THR H H . . . . . 3.2 0.7 3.35 . . . . . A . 10 THR HA . . A . 88 THR H . . . 17 . HA . . . . . 95 . HN . . rr_1nct 1 562 1 . . 1 1 27 27 TYR HA H . . . 1 1 105 105 GLN H H . . . . . 3.1 0.6 3.25 . . . . . A . 12 TYR HA . . A . 90 GLN H . . . 19 . HA . . . . . 97 . HN . . rr_1nct 1 563 1 . . 1 1 40 40 GLY HA2 H . . . 1 1 15 15 ALA HA H . . . . . 3.6 1.1 3.75 . . . . . A . 25 GLY HA2 . . . . . . . . . . 32 . HA2 . . . . . 7 . HA . . rr_1nct 1 564 1 . . 1 1 40 40 GLY HA3 H . . . 1 1 15 15 ALA HA H . . . . . 3.4 0.9 3.55 . . . . . A . 25 GLY HA3 . . . . . . . . . . 32 . HA1 . . . . . 7 . HA . . rr_1nct 1 565 1 . . 1 1 36 36 CYS HA H . . . 1 1 20 20 LYS HA H . . . . . 4.0 1.5 4.15 . . . . . A . 21 CYS HA . . A . 5 LYS HA . . . 28 . HA . . . . . 12 . HA . . rr_1nct 1 566 1 . . 1 1 23 23 SER HA H . . . 1 1 102 102 LEU HA H . . . . . 4.9 2.4 5.05 . . . . . A . 8 SER HA . . A . 87 LEU HA . . . 15 . HA . . . . . 94 . HA . . rr_1nct 1 567 1 . . 1 1 25 25 THR HA H . . . 1 1 104 104 ILE HA H . . . . . 4.8 2.3 4.95 . . . . . A . 10 THR HA . . A . 89 ILE HA . . . 17 . HA . . . . . 96 . HA . . rr_1nct 1 568 1 . . 1 1 33 33 ARG HA H . . . 1 1 73 73 GLU HA H . . . . . 2.9 0.4 3.05 . . . . . A . 18 ARG HA . . A . 58 GLU HA . . . 25 . HA . . . . . 65 . HA . . rr_1nct 1 569 1 . . 1 1 35 35 SER HA H . . . 1 1 71 71 THR HA H . . . . . 2.9 0.4 3.05 . . . . . A . 20 SER HA . . A . 56 THR HA . . . 27 . HA . . . . . 63 . HA . . rr_1nct 1 570 1 . . 1 1 37 37 ASP HA H . . . 1 1 69 69 LYS HA H . . . . . 2.9 0.4 3.05 . . . . . A . 22 ASP HA . . A . 54 LYS HA . . . 29 . HA . . . . . 61 . HA . . rr_1nct 1 571 1 . . 1 1 44 44 PRO HA H . . . 1 1 91 91 ASN HA H . . . . . 4.0 1.5 4.15 . . . . . A . 29 PRO HA . . A . 76 ASN HA . . . 36 . HA . . . . . 83 . HA . . rr_1nct 1 572 1 . . 1 1 46 46 VAL HA H . . . 1 1 89 89 VAL HA H . . . . . 2.9 0.4 3.05 . . . . . A . 31 VAL HA . . A . 74 VAL HA . . . 38 . HA . . . . . 81 . HA . . rr_1nct 1 573 1 . . 1 1 48 48 TRP HA H . . . 1 1 87 87 VAL HA H . . . . . 2.9 0.4 3.05 . . . . . A . 33 TRP HA . . A . 72 VAL HA . . . 40 . HA . . . . . 79 . HA . . rr_1nct 1 574 1 . . 1 1 61 61 HIS HA H . . . 1 1 74 74 ILE HA H . . . . . 3.1 0.6 3.25 . . . . . A . 46 HIS HA . . A . 59 ILE HA . . . 53 . HA . . . . . 66 . HA . . rr_1nct 1 575 1 . . 1 1 63 63 VAL HA H . . . 1 1 72 72 PHE HA H . . . . . 2.9 0.4 3.05 . . . . . A . 48 VAL HA . . A . 57 PHE HA . . . 55 . HA . . . . . 64 . HA . . rr_1nct 1 576 1 . . 1 1 65 65 THR HA H . . . 1 1 70 70 SER HA H . . . . . 2.9 0.4 3.05 . . . . . A . 50 THR HA . . A . 55 SER HA . . . 57 . HA . . . . . 62 . HA . . rr_1nct 1 577 1 . . 1 1 84 84 ASN HA H . . . 1 1 101 101 THR HA H . . . . . 2.6 0.1 2.75 . . . . . A . 69 ASN HA . . A . 86 THR HA . . . 76 . HA . . . . . 93 . HA . . rr_1nct 1 578 1 . . 1 1 86 86 SER HA H . . . 1 1 99 99 GLU HA H . . . . . 3.1 0.6 3.25 . . . . . A . 71 SER HA . . A . 84 GLU HA . . . 78 . HA . . . . . 91 . HA . . rr_1nct 1 579 1 . . 1 1 88 88 VAL HA H . . . 1 1 97 97 GLU HA H . . . . . 3.0 0.5 3.15 . . . . . A . 73 VAL HA . . A . 82 GLU HA . . . 80 . HA . . . . . 89 . HA . . rr_1nct 1 580 1 . . 1 1 90 90 GLU HA H . . . 1 1 95 95 LYS HA H . . . . . 2.9 0.4 3.05 . . . . . A . 75 GLU HA . . A . 80 LYS HA . . . 82 . HA . . . . . 87 . HA . . rr_1nct 1 581 1 . . 1 1 22 22 ARG H H . . . 1 1 34 34 PHE QD H . . . . . 5.3 2.8 5.45 . . . . . A . 7 ARG H . . A . 19 PHE QD . . . 14 . HN . . . . . 26 . HD# . . rr_1nct 1 582 1 . . 1 1 24 24 MET H H . . . 1 1 34 34 PHE HZ H . . . . . 4.7 2.2 4.85 . . . . . A . 9 MET H . . A . 19 PHE HZ . . . 16 . HN . . . . . 26 . HZ . . rr_1nct 1 583 1 . . 1 1 27 27 TYR H H . . . 1 1 27 27 TYR QD H . . . . . 4.5 2.0 4.65 . . . . . A . 12 TYR H . . A . 12 TYR QD . . . 19 . HN . . . . . 19 . HD# . . rr_1nct 1 584 1 . . 1 1 28 28 GLU H H . . . 1 1 27 27 TYR QD H . . . . . 4.7 2.2 4.85 . . . . . A . 13 GLU H . . A . 12 TYR QD . . . 20 . HN . . . . . 19 . HD# . . rr_1nct 1 585 1 . . 1 1 34 34 PHE H H . . . 1 1 34 34 PHE QE H . . . . . 5.0 2.5 5.15 . . . . . A . 19 PHE H . . A . 19 PHE QE . . . 26 . HN . . . . . 26 . HE# . . rr_1nct 1 586 1 . . 1 1 34 34 PHE H H . . . 1 1 34 34 PHE QD H . . . . . 4.3 1.8 4.45 . . . . . A . 19 PHE H . . A . 19 PHE QD . . . 26 . HN . . . . . 26 . HD# . . rr_1nct 1 587 1 . . 1 1 35 35 SER H H . . . 1 1 34 34 PHE QD H . . . . . 4.7 2.2 4.85 . . . . . A . 20 SER H . . A . 19 PHE QD . . . 27 . HN . . . . . 26 . HD# . . rr_1nct 1 588 1 . . 1 1 36 36 CYS H H . . . 1 1 48 48 TRP HZ2 H . . . . . 3.3 0.8 3.45 . . . . . A . 21 CYS H . . A . 33 TRP HZ2 . . . 28 . HN . . . . . 40 . HZ2 . . rr_1nct 1 589 1 . . 1 1 36 36 CYS H H . . . 1 1 48 48 TRP HH2 H . . . . . 3.5 1.0 3.65 . . . . . A . 21 CYS H . . A . 33 TRP HH2 . . . 28 . HN . . . . . 40 . HH2 . . rr_1nct 1 590 1 . . 1 1 40 40 GLY H H . . . 1 1 68 68 TYR QE H . . . . . 5.0 2.5 5.15 . . . . . A . 25 GLY H . . A . 53 TYR QE . . . 32 . HN . . . . . 60 . HE# . . rr_1nct 1 591 1 . . 1 1 40 40 GLY H H . . . 1 1 68 68 TYR QD H . . . . . 5.4 2.9 5.55 . . . . . A . 25 GLY H . . A . 53 TYR QD . . . 32 . HN . . . . . 60 . HD# . . rr_1nct 1 592 1 . . 1 1 68 68 TYR H H . . . 1 1 68 68 TYR QD H . . . . . 5.0 2.5 5.15 . . . . . A . 53 TYR H . . A . 53 TYR QD . . . 60 . HN . . . . . 60 . HD# . . rr_1nct 1 593 1 . . 1 1 69 69 LYS H H . . . 1 1 68 68 TYR QD H . . . . . 5.5 3.0 5.65 . . . . . A . 54 LYS H . . A . 53 TYR QD . . . 61 . HN . . . . . 60 . HD# . . rr_1nct 1 594 1 . . 1 1 72 72 PHE H H . . . 1 1 48 48 TRP HZ2 H . . . . . 4.3 1.8 4.45 . . . . . A . 57 PHE H . . A . 33 TRP HZ2 . . . 64 . HN . . . . . 40 . HZ2 . . rr_1nct 1 595 1 . . 1 1 72 72 PHE H H . . . 1 1 34 34 PHE QD H . . . . . 5.0 2.5 5.15 . . . . . A . 57 PHE H . . A . 19 PHE QD . . . 64 . HN . . . . . 26 . HD# . . rr_1nct 1 596 1 . . 1 1 72 72 PHE H H . . . 1 1 72 72 PHE QD H . . . . . 4.6 2.1 4.75 . . . . . A . 57 PHE H . . A . 57 PHE QD . . . 64 . HN . . . . . 64 . HD# . . rr_1nct 1 597 1 . . 1 1 73 73 GLU H H . . . 1 1 72 72 PHE QD H . . . . . 4.4 1.9 4.55 . . . . . A . 58 GLU H . . A . 57 PHE QD . . . 65 . HN . . . . . 64 . HD# . . rr_1nct 1 598 1 . . 1 1 83 83 GLY H H . . . 1 1 85 85 TYR QE H . . . . . 6.5 4.0 6.65 . . . . . A . 68 GLY H . . A . 70 TYR QE . . . 75 . HN . . . . . 77 . HE# . . rr_1nct 1 599 1 . . 1 1 85 85 TYR H H . . . 1 1 85 85 TYR QD H . . . . . 4.5 2.0 4.65 . . . . . A . 70 TYR H . . A . 70 TYR QD . . . 77 . HN . . . . . 77 . HD# . . rr_1nct 1 600 1 . . 1 1 86 86 SER H H . . . 1 1 85 85 TYR QD H . . . . . 4.6 2.1 4.75 . . . . . A . 71 SER H . . A . 70 TYR QD . . . 78 . HN . . . . . 77 . HD# . . rr_1nct 1 601 1 . . 1 1 100 100 PHE H H . . . 1 1 100 100 PHE QD H . . . . . 4.6 2.1 4.75 . . . . . A . 85 PHE H . . A . 85 PHE QD . . . 92 . HN . . . . . 92 . HD# . . rr_1nct 1 602 1 . . 1 1 101 101 THR H H . . . 1 1 100 100 PHE QD H . . . . . 5.0 2.5 5.15 . . . . . A . 86 THR H . . A . 85 PHE QD . . . 93 . HN . . . . . 92 . HD# . . rr_1nct 1 603 1 . . 1 1 102 102 LEU H H . . . 1 1 85 85 TYR QD H . . . . . 4.7 2.2 4.85 . . . . . A . 87 LEU H . . A . 70 TYR QD . . . 94 . HN . . . . . 77 . HD# . . rr_1nct 1 604 1 . . 1 1 106 106 LYS H H . . . 1 1 27 27 TYR QE H . . . . . 5.2 2.7 5.35 . . . . . A . 91 LYS H . . A . 12 TYR QE . . . 98 . HN . . . . . 19 . HE# . . rr_1nct 1 605 1 . . 1 1 106 106 LYS H H . . . 1 1 27 27 TYR QD H . . . . . 5.2 2.7 5.35 . . . . . A . 91 LYS H . . A . 12 TYR QD . . . 98 . HN . . . . . 19 . HD# . . rr_1nct 1 606 1 . . 1 1 27 27 TYR QD H . . . 1 1 106 106 LYS HA H . . . . . 5.1 2.6 5.25 . . . . . A . 12 TYR QD . . A . 91 LYS HA . . . 19 . HD# . . . . . 98 . HA . . rr_1nct 1 607 1 OR . 1 1 27 27 TYR QD H . . . 1 1 28 28 GLU HG2 H . . . . . 5.5 3.0 5.65 . . . . . A . 12 TYR QD . . A . 13 GLU HG2 . . . 19 . HD# . . . . . 20 . HG# . . rr_1nct 1 607 2 OR . 1 1 27 27 TYR QD H . . . 1 1 28 28 GLU HG3 H . . . . . 5.5 3.0 5.65 . . . . . A . 12 TYR QD . . A . 13 GLU HG3 . . . 19 . HD# . . . . . 20 . HG# . . rr_1nct 1 608 1 OR . 1 1 27 27 TYR QD H . . . 1 1 105 105 GLN HG2 H . . . . . 5.6 3.1 5.75 . . . . . A . 12 TYR QD . . A . 90 GLN HG2 . . . 19 . HD# . . . . . 97 . HG# . . rr_1nct 1 608 2 OR . 1 1 27 27 TYR QD H . . . 1 1 105 105 GLN HG3 H . . . . . 5.6 3.1 5.75 . . . . . A . 12 TYR QD . . A . 90 GLN HG3 . . . 19 . HD# . . . . . 97 . HG# . . rr_1nct 1 609 1 . . 1 1 27 27 TYR QD H . . . 1 1 105 105 GLN HB3 H . . . . . 5.9 3.4 6.05 . . . . . A . 12 TYR QD . . A . 90 GLN HB3 . . . 19 . HD# . . . . . 97 . HB1 . . rr_1nct 1 610 1 . . 1 1 27 27 TYR QD H . . . 1 1 105 105 GLN HB2 H . . . . . 5.6 3.1 5.75 . . . . . A . 12 TYR QD . . A . 90 GLN HB2 . . . 19 . HD# . . . . . 97 . HB2 . . rr_1nct 1 611 1 . . 1 1 27 27 TYR HA H . . . 1 1 27 27 TYR QE H . . . . . 5.5 3.0 5.65 . . . . . A . 12 TYR HA . . A . 12 TYR QE . . . 19 . HA . . . . . 19 . HE# . . rr_1nct 1 612 1 . . 1 1 27 27 TYR QE H . . . 1 1 106 106 LYS HA H . . . . . 4.8 2.3 4.95 . . . . . A . 12 TYR QE . . A . 91 LYS HA . . . 19 . HE# . . . . . 98 . HA . . rr_1nct 1 613 1 OR . 1 1 27 27 TYR QE H . . . 1 1 106 106 LYS HG2 H . . . . . 5.3 2.8 5.45 . . . . . A . 12 TYR QE . . A . 91 LYS HG2 . . . 19 . HE# . . . . . 98 . HG# . . rr_1nct 1 613 2 OR . 1 1 27 27 TYR QE H . . . 1 1 106 106 LYS HG3 H . . . . . 5.3 2.8 5.45 . . . . . A . 12 TYR QE . . A . 91 LYS HG3 . . . 19 . HE# . . . . . 98 . HG# . . rr_1nct 1 614 1 . . 1 1 27 27 TYR QE H . . . 1 1 106 106 LYS HB2 H . . . . . 4.5 2.0 4.65 . . . . . A . 12 TYR QE . . A . 91 LYS HB2 . . . 19 . HE# . . . . . 98 . HB2 . . rr_1nct 1 615 1 . . 1 1 27 27 TYR QE H . . . 1 1 106 106 LYS HB3 H . . . . . 5.0 2.5 5.15 . . . . . A . 12 TYR QE . . A . 91 LYS HB3 . . . 19 . HE# . . . . . 98 . HB1 . . rr_1nct 1 616 1 . . 1 1 34 34 PHE QD H . . . 1 1 72 72 PHE QD H . . . . . 5.0 2.5 5.15 . . . . . A . 19 PHE QD . . A . 57 PHE QD . . . 26 . HD# . . . . . 64 . HD# . . rr_1nct 1 617 1 . . 1 1 34 34 PHE QD H . . . 1 1 72 72 PHE QE H . . . . . 7.0 4.5 7.15 . . . . . A . 19 PHE QD . . A . 57 PHE QE . . . 26 . HD# . . . . . 64 . HE# . . rr_1nct 1 618 1 . . 1 1 102 102 LEU HG H . . . 1 1 34 34 PHE QD H . . . . . 5.2 2.7 5.35 . . . . . A . 87 LEU HG . . A . 19 PHE QD . . . 94 . HG . . . . . 26 . HD# . . rr_1nct 1 619 1 . . 1 1 21 21 PRO HB2 H . . . 1 1 34 34 PHE QD H . . . . . 5.2 2.7 5.35 . . . . . A . 6 PRO HB2 . . A . 19 PHE QD . . . 13 . HB2 . . . . . 26 . HD# . . rr_1nct 1 620 1 . . 1 1 34 34 PHE QD H . . . 1 1 21 21 PRO HB3 H . . . . . 4.3 1.8 4.45 . . . . . A . 19 PHE QD . . A . 6 PRO HB3 . . . 26 . HD# . . . . . 13 . HB1 . . rr_1nct 1 621 1 OR . 1 1 34 34 PHE QD H . . . 1 1 72 72 PHE HB2 H . . . . . 5.0 2.5 5.15 . . . . . A . 19 PHE QD . . A . 57 PHE HB2 . . . 26 . HD# . . . . . 64 . HB# . . rr_1nct 1 621 2 OR . 1 1 34 34 PHE QD H . . . 1 1 72 72 PHE HB3 H . . . . . 5.0 2.5 5.15 . . . . . A . 19 PHE QD . . A . 57 PHE HB3 . . . 26 . HD# . . . . . 64 . HB# . . rr_1nct 1 622 1 . . 1 1 34 34 PHE QE H . . . 1 1 72 72 PHE QD H . . . . . 6.0 3.5 6.15 . . . . . A . 19 PHE QE . . A . 57 PHE QD . . . 26 . HE# . . . . . 64 . HD# . . rr_1nct 1 623 1 . . 1 1 34 34 PHE QE H . . . 1 1 72 72 PHE QE H . . . . . 7.0 4.5 7.15 . . . . . A . 19 PHE QE . . A . 57 PHE QE . . . 26 . HE# . . . . . 64 . HE# . . rr_1nct 1 624 1 . . 1 1 34 34 PHE QE H . . . 1 1 72 72 PHE HZ H . . . . . 7.5 5.0 7.65 . . . . . A . 19 PHE QE . . A . 57 PHE HZ . . . 26 . HE# . . . . . 64 . HZ . . rr_1nct 1 625 1 . . 1 1 73 73 GLU HA H . . . 1 1 34 34 PHE QE H . . . . . 5.5 3.0 5.65 . . . . . A . 58 GLU HA . . A . 19 PHE QE . . . 65 . HA . . . . . 26 . HE# . . rr_1nct 1 626 1 . . 1 1 33 33 ARG HA H . . . 1 1 34 34 PHE QE H . . . . . 5.3 2.8 5.45 . . . . . A . 18 ARG HA . . A . 19 PHE QE . . . 25 . HA . . . . . 26 . HE# . . rr_1nct 1 627 1 . . 1 1 24 24 MET HG3 H . . . 1 1 34 34 PHE QE H . . . . . 5.1 2.6 5.25 . . . . . A . 9 MET HG3 . . A . 19 PHE QE . . . 16 . HG1 . . . . . 26 . HE# . . rr_1nct 1 628 1 . . 1 1 24 24 MET HG2 H . . . 1 1 34 34 PHE QE H . . . . . 5.3 2.8 5.45 . . . . . A . 9 MET HG2 . . A . 19 PHE QE . . . 16 . HG2 . . . . . 26 . HE# . . rr_1nct 1 629 1 OR . 1 1 34 34 PHE QE H . . . 1 1 102 102 LEU HB2 H . . . . . 5.4 2.9 5.55 . . . . . A . 19 PHE QE . . A . 87 LEU HB2 . . . 26 . HE# . . . . . 94 . HB# . . rr_1nct 1 629 2 OR . 1 1 102 102 LEU HB3 H . . . 1 1 34 34 PHE QE H . . . . . 5.4 2.9 5.55 . . . . . A . 87 LEU HB3 . . A . 19 PHE QE . . . 94 . HB# . . . . . 26 . HE# . . rr_1nct 1 630 1 . . 1 1 24 24 MET ME H . . . 1 1 34 34 PHE QE H . . . . . 6.1 3.6 6.25 . . . . . A . 9 MET ME . . A . 19 PHE QE . . . 16 . HE# . . . . . 26 . HE# . . rr_1nct 1 631 1 . . 1 1 102 102 LEU HG H . . . 1 1 34 34 PHE QE H . . . . . 4.9 2.4 5.05 . . . . . A . 87 LEU HG . . A . 19 PHE QE . . . 94 . HG . . . . . 26 . HE# . . rr_1nct 1 632 1 . . 1 1 102 102 LEU MD1 H . . . 1 1 34 34 PHE QE H . . . . . 5.1 2.6 5.25 . . . . . A . 87 LEU MD1 . . A . 19 PHE QE . . . 94 . HD1# . . . . . 26 . HE# . . rr_1nct 1 633 1 . . 1 1 102 102 LEU MD2 H . . . 1 1 34 34 PHE QE H . . . . . 5.4 2.9 5.55 . . . . . A . 87 LEU MD2 . . A . 19 PHE QE . . . 94 . HD2# . . . . . 26 . HE# . . rr_1nct 1 634 1 . . 1 1 34 34 PHE QE H . . . 1 1 21 21 PRO HB3 H . . . . . 6.5 4.0 6.65 . . . . . A . 19 PHE QE . . A . 6 PRO HB3 . . . 26 . HE# . . . . . 13 . HB1 . . rr_1nct 1 635 1 . . 1 1 48 48 TRP HE3 H . . . 1 1 100 100 PHE QE H . . . . . 5.0 2.5 5.15 . . . . . A . 33 TRP HE3 . . A . 85 PHE QE . . . 40 . HE3 . . . . . 92 . HE# . . rr_1nct 1 636 1 . . 1 1 72 72 PHE QD H . . . 1 1 48 48 TRP HE3 H . . . . . 6.5 4.0 6.65 . . . . . A . 57 PHE QD . . A . 33 TRP HE3 . . . 64 . HD# . . . . . 40 . HE3 . . rr_1nct 1 637 1 . . 1 1 48 48 TRP HA H . . . 1 1 48 48 TRP HD1 H . . . . . 3.9 1.4 4.05 . . . . . A . 33 TRP HA . . A . 33 TRP HD1 . . . 40 . HA . . . . . 40 . HD1 . . rr_1nct 1 638 1 . . 1 1 47 47 THR HA H . . . 1 1 48 48 TRP HD1 H . . . . . 3.6 1.1 3.75 . . . . . A . 32 THR HA . . A . 33 TRP HD1 . . . 39 . HA . . . . . 40 . HD1 . . rr_1nct 1 639 1 . . 1 1 48 48 TRP HD1 H . . . 1 1 48 48 TRP HB3 H . . . . . 3.4 0.9 3.55 . . . . . A . 33 TRP HD1 . . A . 33 TRP HB3 . . . 40 . HD1 . . . . . 40 . HB1 . . rr_1nct 1 640 1 . . 1 1 48 48 TRP HD1 H . . . 1 1 48 48 TRP HB2 H . . . . . 3.7 1.2 3.85 . . . . . A . 33 TRP HD1 . . A . 33 TRP HB2 . . . 40 . HD1 . . . . . 40 . HB2 . . rr_1nct 1 641 1 . . 1 1 63 63 VAL HB H . . . 1 1 48 48 TRP HD1 H . . . . . 4.2 1.7 4.35 . . . . . A . 48 VAL HB . . A . 33 TRP HD1 . . . 55 . HB . . . . . 40 . HD1 . . rr_1nct 1 642 1 . . 1 1 63 63 VAL MG1 H . . . 1 1 48 48 TRP HD1 H . . . . . 4.0 1.5 4.15 . . . . . A . 48 VAL MG1 . . A . 33 TRP HD1 . . . 55 . HG1# . . . . . 40 . HD1 . . rr_1nct 1 643 1 . . 1 1 63 63 VAL MG2 H . . . 1 1 48 48 TRP HD1 H . . . . . 4.3 1.8 4.45 . . . . . A . 48 VAL MG2 . . A . 33 TRP HD1 . . . 55 . HG2# . . . . . 40 . HD1 . . rr_1nct 1 644 1 . . 1 1 46 46 VAL MG2 H . . . 1 1 48 48 TRP HD1 H . . . . . 4.5 2.0 4.65 . . . . . A . 31 VAL MG2 . . A . 33 TRP HD1 . . . 38 . HG2# . . . . . 40 . HD1 . . rr_1nct 1 645 1 . . 1 1 46 46 VAL MG1 H . . . 1 1 48 48 TRP HD1 H . . . . . 4.2 1.7 4.35 . . . . . A . 31 VAL MG1 . . A . 33 TRP HD1 . . . 38 . HG1# . . . . . 40 . HD1 . . rr_1nct 1 646 1 . . 1 1 87 87 VAL MG2 H . . . 1 1 48 48 TRP HD1 H . . . . . 4.9 2.4 5.05 . . . . . A . 72 VAL MG2 . . A . 33 TRP HD1 . . . 79 . HG2# . . . . . 40 . HD1 . . rr_1nct 1 647 1 . . 1 1 70 70 SER HG H . . . 1 1 48 48 TRP HE1 H . . . . . 3.5 1.0 3.65 . . . . . A . 55 SER HG . . A . 33 TRP HE1 . . . 62 . HG . . . . . 40 . HE1 . . rr_1nct 1 648 1 . . 1 1 46 46 VAL MG2 H . . . 1 1 48 48 TRP HE1 H . . . . . 4.5 2.0 4.65 . . . . . A . 31 VAL MG2 . . A . 33 TRP HE1 . . . 38 . HG2# . . . . . 40 . HE1 . . rr_1nct 1 649 1 . . 1 1 46 46 VAL HB H . . . 1 1 48 48 TRP HE1 H . . . . . 4.2 1.7 4.35 . . . . . A . 31 VAL HB . . A . 33 TRP HE1 . . . 38 . HB . . . . . 40 . HE1 . . rr_1nct 1 650 1 OR . 1 1 48 48 TRP HE1 H . . . 1 1 72 72 PHE HB2 H . . . . . 5.2 2.7 5.35 . . . . . A . 33 TRP HE1 . . A . 57 PHE HB2 . . . 40 . HE1 . . . . . 64 . HB# . . rr_1nct 1 650 2 OR . 1 1 72 72 PHE HB3 H . . . 1 1 48 48 TRP HE1 H . . . . . 5.2 2.7 5.35 . . . . . A . 57 PHE HB3 . . A . 33 TRP HE1 . . . 64 . HB# . . . . . 40 . HE1 . . rr_1nct 1 651 1 . . 1 1 87 87 VAL MG2 H . . . 1 1 48 48 TRP HE1 H . . . . . 5.0 2.5 5.15 . . . . . A . 72 VAL MG2 . . A . 33 TRP HE1 . . . 79 . HG2# . . . . . 40 . HE1 . . rr_1nct 1 652 1 . . 1 1 65 65 THR MG H . . . 1 1 48 48 TRP HE1 H . . . . . 4.8 2.3 4.95 . . . . . A . 50 THR MG . . A . 33 TRP HE1 . . . 57 . HG2# . . . . . 40 . HE1 . . rr_1nct 1 653 1 . . 1 1 70 70 SER HB3 H . . . 1 1 48 48 TRP HE1 H . . . . . 3.9 1.4 4.05 . . . . . A . 55 SER HB3 . . A . 33 TRP HE1 . . . 62 . HB1 . . . . . 40 . HE1 . . rr_1nct 1 654 1 . . 1 1 70 70 SER HB2 H . . . 1 1 48 48 TRP HE1 H . . . . . 4.3 1.8 4.45 . . . . . A . 55 SER HB2 . . A . 33 TRP HE1 . . . 62 . HB2 . . . . . 40 . HE1 . . rr_1nct 1 655 1 . . 1 1 87 87 VAL HA H . . . 1 1 48 48 TRP HE3 H . . . . . 4.2 1.7 4.35 . . . . . A . 72 VAL HA . . A . 33 TRP HE3 . . . 79 . HA . . . . . 40 . HE3 . . rr_1nct 1 656 1 . . 1 1 48 48 TRP HA H . . . 1 1 48 48 TRP HE3 H . . . . . 3.5 1.0 3.65 . . . . . A . 33 TRP HA . . A . 33 TRP HE3 . . . 40 . HA . . . . . 40 . HE3 . . rr_1nct 1 657 1 . . 1 1 48 48 TRP HE3 H . . . 1 1 48 48 TRP HB3 H . . . . . 3.1 0.6 3.25 . . . . . A . 33 TRP HE3 . . A . 33 TRP HB3 . . . 40 . HE3 . . . . . 40 . HB1 . . rr_1nct 1 658 1 . . 1 1 48 48 TRP HE3 H . . . 1 1 48 48 TRP HB2 H . . . . . 3.7 1.2 3.85 . . . . . A . 33 TRP HE3 . . A . 33 TRP HB2 . . . 40 . HE3 . . . . . 40 . HB2 . . rr_1nct 1 659 1 . . 1 1 87 87 VAL HB H . . . 1 1 48 48 TRP HE3 H . . . . . 3.0 0.5 3.15 . . . . . A . 72 VAL HB . . A . 33 TRP HE3 . . . 79 . HB . . . . . 40 . HE3 . . rr_1nct 1 660 1 . . 1 1 63 63 VAL MG2 H . . . 1 1 48 48 TRP HE3 H . . . . . 5.5 3.0 5.65 . . . . . A . 48 VAL MG2 . . A . 33 TRP HE3 . . . 55 . HG2# . . . . . 40 . HE3 . . rr_1nct 1 661 1 . . 1 1 87 87 VAL MG1 H . . . 1 1 48 48 TRP HE3 H . . . . . 4.5 2.0 4.65 . . . . . A . 72 VAL MG1 . . A . 33 TRP HE3 . . . 79 . HG1# . . . . . 40 . HE3 . . rr_1nct 1 662 1 . . 1 1 87 87 VAL HB H . . . 1 1 48 48 TRP HE3 H . . . . . 4.5 2.0 4.65 . . . . . A . 72 VAL HB . . A . 33 TRP HE3 . . . 79 . HB . . . . . 40 . HE3 . . rr_1nct 1 663 1 . . 1 1 87 87 VAL MG2 H . . . 1 1 48 48 TRP HE3 H . . . . . 4.5 2.0 4.65 . . . . . A . 72 VAL MG2 . . A . 33 TRP HE3 . . . 79 . HG2# . . . . . 40 . HE3 . . rr_1nct 1 664 1 . . 1 1 55 55 LEU MD2 H . . . 1 1 48 48 TRP HE3 H . . . . . 4.0 1.5 4.15 . . . . . A . 40 LEU MD2 . . A . 33 TRP HE3 . . . 47 . HD2# . . . . . 40 . HE3 . . rr_1nct 1 665 1 . . 1 1 35 35 SER HA H . . . 1 1 48 48 TRP HH2 H . . . . . 3.7 1.2 3.85 . . . . . A . 20 SER HA . . A . 33 TRP HH2 . . . 27 . HA . . . . . 40 . HH2 . . rr_1nct 1 666 1 . . 1 1 71 71 THR HA H . . . 1 1 48 48 TRP HH2 H . . . . . 3.5 1.0 3.65 . . . . . A . 56 THR HA . . A . 33 TRP HH2 . . . 63 . HA . . . . . 40 . HH2 . . rr_1nct 1 667 1 . . 1 1 21 21 PRO HA H . . . 1 1 48 48 TRP HH2 H . . . . . 4.6 2.1 4.75 . . . . . A . 6 PRO HA . . A . 33 TRP HH2 . . . 13 . HA . . . . . 40 . HH2 . . rr_1nct 1 668 1 OR . 1 1 48 48 TRP HH2 H . . . 1 1 21 21 PRO HD2 H . . . . . 4.3 1.8 4.45 . . . . . A . 33 TRP HH2 . . A . 6 PRO HD2 . . . 40 . HH2 . . . . . 13 . HD# . . rr_1nct 1 668 2 OR . 1 1 21 21 PRO HD3 H . . . 1 1 48 48 TRP HH2 H . . . . . 4.3 1.8 4.45 . . . . . A . 6 PRO HD3 . . A . 33 TRP HH2 . . . 13 . HD# . . . . . 40 . HH2 . . rr_1nct 1 669 1 . . 1 1 48 48 TRP HH2 H . . . 1 1 36 36 CYS HB3 H . . . . . 4.0 1.5 4.15 . . . . . A . 33 TRP HH2 . . A . 21 CYS HB3 . . . 40 . HH2 . . . . . 28 . HB1 . . rr_1nct 1 670 1 . . 1 1 48 48 TRP HH2 H . . . 1 1 36 36 CYS HB2 H . . . . . 4.3 1.8 4.45 . . . . . A . 33 TRP HH2 . . A . 21 CYS HB2 . . . 40 . HH2 . . . . . 28 . HB2 . . rr_1nct 1 671 1 OR . 1 1 48 48 TRP HH2 H . . . 1 1 34 34 PHE HB2 H . . . . . 4.2 1.7 4.35 . . . . . A . 33 TRP HH2 . . A . 19 PHE HB2 . . . 40 . HH2 . . . . . 26 . HB# . . rr_1nct 1 671 2 OR . 1 1 34 34 PHE HB3 H . . . 1 1 48 48 TRP HH2 H . . . . . 4.2 1.7 4.35 . . . . . A . 19 PHE HB3 . . A . 33 TRP HH2 . . . 26 . HB# . . . . . 40 . HH2 . . rr_1nct 1 672 1 . . 1 1 48 48 TRP HH2 H . . . 1 1 21 21 PRO HB3 H . . . . . 3.5 1.0 3.65 . . . . . A . 33 TRP HH2 . . A . 6 PRO HB3 . . . 40 . HH2 . . . . . 13 . HB1 . . rr_1nct 1 673 1 . . 1 1 21 21 PRO HB2 H . . . 1 1 48 48 TRP HH2 H . . . . . 5.0 2.5 5.15 . . . . . A . 6 PRO HB2 . . A . 33 TRP HH2 . . . 13 . HB2 . . . . . 40 . HH2 . . rr_1nct 1 674 1 . . 1 1 87 87 VAL MG1 H . . . 1 1 48 48 TRP HH2 H . . . . . 4.7 2.2 4.85 . . . . . A . 72 VAL MG1 . . A . 33 TRP HH2 . . . 79 . HG1# . . . . . 40 . HH2 . . rr_1nct 1 675 1 . . 1 1 87 87 VAL MG2 H . . . 1 1 48 48 TRP HH2 H . . . . . 4.7 2.2 4.85 . . . . . A . 72 VAL MG2 . . A . 33 TRP HH2 . . . 79 . HG2# . . . . . 40 . HH2 . . rr_1nct 1 676 1 . . 1 1 35 35 SER HA H . . . 1 1 48 48 TRP HZ2 H . . . . . 4.1 1.6 4.25 . . . . . A . 20 SER HA . . A . 33 TRP HZ2 . . . 27 . HA . . . . . 40 . HZ2 . . rr_1nct 1 677 1 . . 1 1 70 70 SER HA H . . . 1 1 48 48 TRP HZ2 H . . . . . 4.4 1.9 4.55 . . . . . A . 55 SER HA . . A . 33 TRP HZ2 . . . 62 . HA . . . . . 40 . HZ2 . . rr_1nct 1 678 1 . . 1 1 71 71 THR HA H . . . 1 1 48 48 TRP HZ2 H . . . . . 3.3 0.8 3.45 . . . . . A . 56 THR HA . . A . 33 TRP HZ2 . . . 63 . HA . . . . . 40 . HZ2 . . rr_1nct 1 679 1 . . 1 1 36 36 CYS HA H . . . 1 1 48 48 TRP HZ2 H . . . . . 6.8 4.3 6.95 . . . . . A . 21 CYS HA . . A . 33 TRP HZ2 . . . 28 . HA . . . . . 40 . HZ2 . . rr_1nct 1 680 1 . . 1 1 70 70 SER HB3 H . . . 1 1 48 48 TRP HZ2 H . . . . . 4.0 1.5 4.15 . . . . . A . 55 SER HB3 . . A . 33 TRP HZ2 . . . 62 . HB1 . . . . . 40 . HZ2 . . rr_1nct 1 681 1 . . 1 1 70 70 SER HB2 H . . . 1 1 48 48 TRP HZ2 H . . . . . 4.4 1.9 4.55 . . . . . A . 55 SER HB2 . . A . 33 TRP HZ2 . . . 62 . HB2 . . . . . 40 . HZ2 . . rr_1nct 1 682 1 OR . 1 1 48 48 TRP HZ2 H . . . 1 1 36 36 CYS HB3 H . . . . . 4.5 2.0 4.65 . . . . . A . 33 TRP HZ2 . . A . 21 CYS HB3 . . . 40 . HZ2 . . . . . 28 . HB# . . rr_1nct 1 682 2 OR . 1 1 48 48 TRP HZ2 H . . . 1 1 36 36 CYS HB2 H . . . . . 4.5 2.0 4.65 . . . . . A . 33 TRP HZ2 . . A . 21 CYS HB2 . . . 40 . HZ2 . . . . . 28 . HB# . . rr_1nct 1 683 1 OR . 1 1 48 48 TRP HZ2 H . . . 1 1 72 72 PHE HB2 H . . . . . 5.0 2.5 5.15 . . . . . A . 33 TRP HZ2 . . A . 57 PHE HB2 . . . 40 . HZ2 . . . . . 64 . HB# . . rr_1nct 1 683 2 OR . 1 1 48 48 TRP HZ2 H . . . 1 1 72 72 PHE HB3 H . . . . . 5.0 2.5 5.15 . . . . . A . 33 TRP HZ2 . . A . 57 PHE HB3 . . . 40 . HZ2 . . . . . 64 . HB# . . rr_1nct 1 684 1 . . 1 1 48 48 TRP HZ2 H . . . 1 1 21 21 PRO HB3 H . . . . . 4.7 2.2 4.85 . . . . . A . 33 TRP HZ2 . . A . 6 PRO HB3 . . . 40 . HZ2 . . . . . 13 . HB1 . . rr_1nct 1 685 1 . . 1 1 46 46 VAL MG1 H . . . 1 1 48 48 TRP HZ2 H . . . . . 4.5 2.0 4.65 . . . . . A . 31 VAL MG1 . . A . 33 TRP HZ2 . . . 38 . HG1# . . . . . 40 . HZ2 . . rr_1nct 1 686 1 . . 1 1 46 46 VAL MG2 H . . . 1 1 48 48 TRP HZ2 H . . . . . 4.5 2.0 4.65 . . . . . A . 31 VAL MG2 . . A . 33 TRP HZ2 . . . 38 . HG2# . . . . . 40 . HZ2 . . rr_1nct 1 687 1 . . 1 1 87 87 VAL MG2 H . . . 1 1 48 48 TRP HZ2 H . . . . . 4.7 2.2 4.85 . . . . . A . 72 VAL MG2 . . A . 33 TRP HZ2 . . . 79 . HG2# . . . . . 40 . HZ2 . . rr_1nct 1 688 1 . . 1 1 72 72 PHE HZ H . . . 1 1 61 61 HIS HD1 H . . . . . 4.0 1.5 4.15 . . . . . A . 57 PHE HZ . . A . 46 HIS HD1 . . . 64 . HZ . . . . . 53 . HD1 . . rr_1nct 1 689 1 . . 1 1 72 72 PHE QE H . . . 1 1 61 61 HIS HD1 H . . . . . 6.5 4.0 6.65 . . . . . A . 57 PHE QE . . A . 46 HIS HD1 . . . 64 . HE# . . . . . 53 . HD1 . . rr_1nct 1 690 1 . . 1 1 61 61 HIS HA H . . . 1 1 61 61 HIS HD1 H . . . . . 4.5 2.0 4.65 . . . . . A . 46 HIS HA . . A . 46 HIS HD1 . . . 53 . HA . . . . . 53 . HD1 . . rr_1nct 1 691 1 . . 1 1 55 55 LEU HA H . . . 1 1 61 61 HIS HD1 H . . . . . 5.5 3.0 5.65 . . . . . A . 40 LEU HA . . A . 46 HIS HD1 . . . 47 . HA . . . . . 53 . HD1 . . rr_1nct 1 692 1 . . 1 1 61 61 HIS HD1 H . . . 1 1 61 61 HIS HB3 H . . . . . 3.5 1.0 3.65 . . . . . A . 46 HIS HD1 . . A . 46 HIS HB3 . . . 53 . HD1 . . . . . 53 . HB1 . . rr_1nct 1 693 1 . . 1 1 61 61 HIS HB2 H . . . 1 1 61 61 HIS HD1 H . . . . . 3.8 1.3 3.95 . . . . . A . 46 HIS HB2 . . A . 46 HIS HD1 . . . 53 . HB2 . . . . . 53 . HD1 . . rr_1nct 1 694 1 . . 1 1 55 55 LEU HG H . . . 1 1 61 61 HIS HD1 H . . . . . 4.3 1.8 4.45 . . . . . A . 40 LEU HG . . A . 46 HIS HD1 . . . 47 . HG . . . . . 53 . HD1 . . rr_1nct 1 695 1 . . 1 1 58 58 SER H H . . . 1 1 61 61 HIS HD1 H . . . . . 5.6 3.1 5.75 . . . . . A . 43 SER H . . A . 46 HIS HD1 . . . 50 . HN . . . . . 53 . HD1 . . rr_1nct 1 696 1 . . 1 1 39 39 ASP HA H . . . 1 1 68 68 TYR QD H . . . . . 5.2 2.7 5.35 . . . . . A . 24 ASP HA . . A . 53 TYR QD . . . 31 . HA . . . . . 60 . HD# . . rr_1nct 1 697 1 . . 1 1 68 68 TYR HA H . . . 1 1 68 68 TYR QD H . . . . . 5.4 2.9 5.55 . . . . . A . 53 TYR HA . . A . 53 TYR QD . . . 60 . HA . . . . . 60 . HD# . . rr_1nct 1 698 1 . . 1 1 68 68 TYR QD H . . . 1 1 44 44 PRO HD3 H . . . . . 4.5 2.0 4.65 . . . . . A . 53 TYR QD . . A . 29 PRO HD3 . . . 60 . HD# . . . . . 36 . HD1 . . rr_1nct 1 699 1 . . 1 1 44 44 PRO HD2 H . . . 1 1 68 68 TYR QD H . . . . . 4.7 2.2 4.85 . . . . . A . 29 PRO HD2 . . A . 53 TYR QD . . . 36 . HD2 . . . . . 60 . HD# . . rr_1nct 1 700 1 . . 1 1 44 44 PRO HB3 H . . . 1 1 68 68 TYR QD H . . . . . 5.7 3.2 5.85 . . . . . A . 29 PRO HB3 . . A . 53 TYR QD . . . 36 . HB1 . . . . . 60 . HD# . . rr_1nct 1 701 1 . . 1 1 43 43 VAL MG1 H . . . 1 1 68 68 TYR QD H . . . . . 5.6 3.1 5.75 . . . . . A . 28 VAL MG1 . . A . 53 TYR QD . . . 35 . HG1# . . . . . 60 . HD# . . rr_1nct 1 702 1 . . 1 1 43 43 VAL MG2 H . . . 1 1 68 68 TYR QD H . . . . . 5.3 2.8 5.45 . . . . . A . 28 VAL MG2 . . A . 53 TYR QD . . . 35 . HG2# . . . . . 60 . HD# . . rr_1nct 1 703 1 . . 1 1 43 43 VAL HA H . . . 1 1 68 68 TYR QD H . . . . . 5.9 3.4 6.05 . . . . . A . 28 VAL HA . . A . 53 TYR QD . . . 35 . HA . . . . . 60 . HD# . . rr_1nct 1 704 1 OR . 1 1 68 68 TYR QD H . . . 1 1 69 69 LYS HG2 H . . . . . 5.3 2.8 5.45 . . . . . A . 53 TYR QD . . A . 54 LYS HG2 . . . 60 . HD# . . . . . 61 . HG# . . rr_1nct 1 704 2 OR . 1 1 68 68 TYR QD H . . . 1 1 69 69 LYS HG3 H . . . . . 5.3 2.8 5.45 . . . . . A . 53 TYR QD . . A . 54 LYS HG3 . . . 60 . HD# . . . . . 61 . HG# . . rr_1nct 1 705 1 . . 1 1 68 68 TYR HA H . . . 1 1 68 68 TYR QE H . . . . . 5.6 3.1 5.75 . . . . . A . 53 TYR HA . . A . 53 TYR QE . . . 60 . HA . . . . . 60 . HE# . . rr_1nct 1 706 1 . . 1 1 68 68 TYR QE H . . . 1 1 44 44 PRO HD3 H . . . . . 4.3 1.8 4.45 . . . . . A . 53 TYR QE . . A . 29 PRO HD3 . . . 60 . HE# . . . . . 36 . HD1 . . rr_1nct 1 707 1 . . 1 1 44 44 PRO HD2 H . . . 1 1 68 68 TYR QE H . . . . . 4.7 2.2 4.85 . . . . . A . 29 PRO HD2 . . A . 53 TYR QE . . . 36 . HD2 . . . . . 60 . HE# . . rr_1nct 1 708 1 . . 1 1 39 39 ASP HA H . . . 1 1 68 68 TYR QE H . . . . . 5.6 3.1 5.75 . . . . . A . 24 ASP HA . . A . 53 TYR QE . . . 31 . HA . . . . . 60 . HE# . . rr_1nct 1 709 1 OR . 1 1 68 68 TYR QE H . . . 1 1 69 69 LYS HG2 H . . . . . 7.3 4.8 7.45 . . . . . A . 53 TYR QE . . A . 54 LYS HG2 . . . 60 . HE# . . . . . 61 . HG# . . rr_1nct 1 709 2 OR . 1 1 68 68 TYR QE H . . . 1 1 69 69 LYS HG3 H . . . . . 7.3 4.8 7.45 . . . . . A . 53 TYR QE . . A . 54 LYS HG3 . . . 60 . HE# . . . . . 61 . HG# . . rr_1nct 1 710 1 . . 1 1 43 43 VAL HA H . . . 1 1 68 68 TYR QE H . . . . . 6.0 3.5 6.15 . . . . . A . 28 VAL HA . . A . 53 TYR QE . . . 35 . HA . . . . . 60 . HE# . . rr_1nct 1 711 1 . . 1 1 43 43 VAL MG1 H . . . 1 1 68 68 TYR QE H . . . . . 5.1 2.6 5.25 . . . . . A . 28 VAL MG1 . . A . 53 TYR QE . . . 35 . HG1# . . . . . 60 . HE# . . rr_1nct 1 712 1 . . 1 1 43 43 VAL MG2 H . . . 1 1 68 68 TYR QE H . . . . . 5.5 3.0 5.65 . . . . . A . 28 VAL MG2 . . A . 53 TYR QE . . . 35 . HG2# . . . . . 60 . HE# . . rr_1nct 1 713 1 . . 1 1 85 85 TYR QD H . . . 1 1 72 72 PHE QE H . . . . . 6.2 3.7 6.35 . . . . . A . 70 TYR QD . . A . 57 PHE QE . . . 77 . HD# . . . . . 64 . HE# . . rr_1nct 1 714 1 . . 1 1 85 85 TYR QE H . . . 1 1 72 72 PHE QE H . . . . . 7.0 4.5 7.15 . . . . . A . 70 TYR QE . . A . 57 PHE QE . . . 77 . HE# . . . . . 64 . HE# . . rr_1nct 1 715 1 . . 1 1 72 72 PHE QE H . . . 1 1 100 100 PHE QE H . . . . . 6.0 3.5 6.15 . . . . . A . 57 PHE QE . . A . 85 PHE QE . . . 64 . HE# . . . . . 92 . HE# . . rr_1nct 1 716 1 . . 1 1 61 61 HIS HA H . . . 1 1 72 72 PHE QE H . . . . . 5.5 3.0 5.65 . . . . . A . 46 HIS HA . . A . 57 PHE QE . . . 53 . HA . . . . . 64 . HE# . . rr_1nct 1 717 1 . . 1 1 72 72 PHE HA H . . . 1 1 72 72 PHE QE H . . . . . 5.4 2.9 5.55 . . . . . A . 57 PHE HA . . A . 57 PHE QE . . . 64 . HA . . . . . 64 . HE# . . rr_1nct 1 718 1 . . 1 1 74 74 ILE HA H . . . 1 1 72 72 PHE QE H . . . . . 5.5 3.0 5.65 . . . . . A . 59 ILE HA . . A . 57 PHE QE . . . 66 . HA . . . . . 64 . HE# . . rr_1nct 1 719 1 OR . 1 1 72 72 PHE QE H . . . 1 1 72 72 PHE HB2 H . . . . . 4.7 2.2 4.85 . . . . . A . 57 PHE QE . . A . 57 PHE HB2 . . . 64 . HE# . . . . . 64 . HB# . . rr_1nct 1 719 2 OR . 1 1 72 72 PHE QE H . . . 1 1 72 72 PHE HB3 H . . . . . 4.7 2.2 4.85 . . . . . A . 57 PHE QE . . A . 57 PHE HB3 . . . 64 . HE# . . . . . 64 . HB# . . rr_1nct 1 720 1 . . 1 1 55 55 LEU MD2 H . . . 1 1 72 72 PHE QE H . . . . . 5.0 2.5 5.15 . . . . . A . 40 LEU MD2 . . A . 57 PHE QE . . . 47 . HD2# . . . . . 64 . HE# . . rr_1nct 1 721 1 . . 1 1 72 72 PHE QE H . . . 1 1 61 61 HIS HB3 H . . . . . 5.7 3.2 5.85 . . . . . A . 57 PHE QE . . A . 46 HIS HB3 . . . 64 . HE# . . . . . 53 . HB1 . . rr_1nct 1 722 1 . . 1 1 61 61 HIS HB2 H . . . 1 1 72 72 PHE QE H . . . . . 5.5 3.0 5.65 . . . . . A . 46 HIS HB2 . . A . 57 PHE QE . . . 53 . HB2 . . . . . 64 . HE# . . rr_1nct 1 723 1 . . 1 1 63 63 VAL HA H . . . 1 1 72 72 PHE QE H . . . . . 5.3 2.8 5.45 . . . . . A . 48 VAL HA . . A . 57 PHE QE . . . 55 . HA . . . . . 64 . HE# . . rr_1nct 1 724 1 . . 1 1 63 63 VAL HB H . . . 1 1 72 72 PHE QE H . . . . . 5.0 2.5 5.15 . . . . . A . 48 VAL HB . . A . 57 PHE QE . . . 55 . HB . . . . . 64 . HE# . . rr_1nct 1 725 1 . . 1 1 72 72 PHE HA H . . . 1 1 72 72 PHE QD H . . . . . 4.1 1.6 4.25 . . . . . A . 57 PHE HA . . A . 57 PHE QD . . . 64 . HA . . . . . 64 . HD# . . rr_1nct 1 726 1 OR . 1 1 72 72 PHE QD H . . . 1 1 48 48 TRP HB2 H . . . . . 5.5 3.0 5.65 . . . . . A . 57 PHE QD . . A . 33 TRP HB2 . . . 64 . HD# . . . . . 40 . HB# . . rr_1nct 1 726 2 OR . 1 1 72 72 PHE QD H . . . 1 1 48 48 TRP HB3 H . . . . . 5.5 3.0 5.65 . . . . . A . 57 PHE QD . . A . 33 TRP HB3 . . . 64 . HD# . . . . . 40 . HB# . . rr_1nct 1 727 1 . . 1 1 102 102 LEU HG H . . . 1 1 72 72 PHE QD H . . . . . 7.4 4.9 7.55 . . . . . A . 87 LEU HG . . A . 57 PHE QD . . . 94 . HG . . . . . 64 . HD# . . rr_1nct 1 728 1 . . 1 1 63 63 VAL MG1 H . . . 1 1 72 72 PHE QD H . . . . . 6.1 3.6 6.25 . . . . . A . 48 VAL MG1 . . A . 57 PHE QD . . . 55 . HG1# . . . . . 64 . HD# . . rr_1nct 1 729 1 . . 1 1 63 63 VAL MG2 H . . . 1 1 72 72 PHE QD H . . . . . 5.0 2.5 5.15 . . . . . A . 48 VAL MG2 . . A . 57 PHE QD . . . 55 . HG2# . . . . . 64 . HD# . . rr_1nct 1 730 1 . . 1 1 55 55 LEU MD2 H . . . 1 1 72 72 PHE QD H . . . . . 5.0 2.5 5.15 . . . . . A . 40 LEU MD2 . . A . 57 PHE QD . . . 47 . HD2# . . . . . 64 . HD# . . rr_1nct 1 731 1 . . 1 1 72 72 PHE QD H . . . 1 1 100 100 PHE QE H . . . . . 6.5 4.0 6.65 . . . . . A . 57 PHE QD . . A . 85 PHE QE . . . 64 . HD# . . . . . 92 . HE# . . rr_1nct 1 732 1 . . 1 1 55 55 LEU MD2 H . . . 1 1 72 72 PHE HZ H . . . . . 4.8 2.3 4.95 . . . . . A . 40 LEU MD2 . . A . 57 PHE HZ . . . 47 . HD2# . . . . . 64 . HZ . . rr_1nct 1 733 1 . . 1 1 86 86 SER HA H . . . 1 1 85 85 TYR QD H . . . . . 5.9 3.4 6.05 . . . . . A . 71 SER HA . . A . 70 TYR QD . . . 78 . HA . . . . . 77 . HD# . . rr_1nct 1 734 1 . . 1 1 101 101 THR HA H . . . 1 1 85 85 TYR QD H . . . . . 5.5 3.0 5.65 . . . . . A . 86 THR HA . . A . 70 TYR QD . . . 93 . HA . . . . . 77 . HD# . . rr_1nct 1 735 1 . . 1 1 50 50 ARG HA H . . . 1 1 85 85 TYR QD H . . . . . 6.8 4.3 6.95 . . . . . A . 35 ARG HA . . A . 70 TYR QD . . . 42 . HA . . . . . 77 . HD# . . rr_1nct 1 736 1 . . 1 1 84 84 ASN HB3 H . . . 1 1 85 85 TYR QD H . . . . . 6.2 3.7 6.35 . . . . . A . 69 ASN HB3 . . A . 70 TYR QD . . . 76 . HB1 . . . . . 77 . HD# . . rr_1nct 1 737 1 . . 1 1 84 84 ASN HB2 H . . . 1 1 85 85 TYR QD H . . . . . 6.8 4.3 6.95 . . . . . A . 69 ASN HB2 . . A . 70 TYR QD . . . 76 . HB2 . . . . . 77 . HD# . . rr_1nct 1 738 1 OR . 1 1 85 85 TYR QD H . . . 1 1 102 102 LEU HB2 H . . . . . 5.1 2.6 5.25 . . . . . A . 70 TYR QD . . A . 87 LEU HB2 . . . 77 . HD# . . . . . 94 . HB# . . rr_1nct 1 738 2 OR . 1 1 102 102 LEU HB3 H . . . 1 1 85 85 TYR QD H . . . . . 5.1 2.6 5.25 . . . . . A . 87 LEU HB3 . . A . 70 TYR QD . . . 94 . HB# . . . . . 77 . HD# . . rr_1nct 1 739 1 . . 1 1 85 85 TYR QD H . . . 1 1 74 74 ILE MD H . . . . . 6.0 3.5 6.15 . . . . . A . 70 TYR QD . . A . 59 ILE MD . . . 77 . HD# . . . . . 66 . HD1# . . rr_1nct 1 740 1 . . 1 1 55 55 LEU HG H . . . 1 1 85 85 TYR QD H . . . . . 4.5 2.0 4.65 . . . . . A . 40 LEU HG . . A . 70 TYR QD . . . 47 . HG . . . . . 77 . HD# . . rr_1nct 1 741 1 OR . 1 1 85 85 TYR QD H . . . 1 1 55 55 LEU HB2 H . . . . . 6.2 3.7 6.35 . . . . . A . 70 TYR QD . . A . 40 LEU HB2 . . . 77 . HD# . . . . . 47 . HB# . . rr_1nct 1 741 2 OR . 1 1 55 55 LEU HB3 H . . . 1 1 85 85 TYR QD H . . . . . 6.2 3.7 6.35 . . . . . A . 40 LEU HB3 . . A . 70 TYR QD . . . 47 . HB# . . . . . 77 . HD# . . rr_1nct 1 742 1 . . 1 1 55 55 LEU MD2 H . . . 1 1 85 85 TYR QD H . . . . . 4.5 2.0 4.65 . . . . . A . 40 LEU MD2 . . A . 70 TYR QD . . . 47 . HD2# . . . . . 77 . HD# . . rr_1nct 1 743 1 . . 1 1 55 55 LEU MD1 H . . . 1 1 85 85 TYR QD H . . . . . 5.2 2.7 5.35 . . . . . A . 40 LEU MD1 . . A . 70 TYR QD . . . 47 . HD1# . . . . . 77 . HD# . . rr_1nct 1 744 1 . . 1 1 49 49 LEU HA H . . . 1 1 85 85 TYR QD H . . . . . 7.2 4.7 7.35 . . . . . A . 34 LEU HA . . A . 70 TYR QD . . . 41 . HA . . . . . 77 . HD# . . rr_1nct 1 745 1 . . 1 1 52 52 GLY HA3 H . . . 1 1 85 85 TYR QD H . . . . . 5.5 3.0 5.65 . . . . . A . 37 GLY HA3 . . A . 70 TYR QD . . . 44 . HA1 . . . . . 77 . HD# . . rr_1nct 1 746 1 OR . 1 1 85 85 TYR QE H . . . 1 1 102 102 LEU HB2 H . . . . . 6.2 3.7 6.35 . . . . . A . 70 TYR QE . . A . 87 LEU HB2 . . . 77 . HE# . . . . . 94 . HB# . . rr_1nct 1 746 2 OR . 1 1 102 102 LEU HB3 H . . . 1 1 85 85 TYR QE H . . . . . 6.2 3.7 6.35 . . . . . A . 87 LEU HB3 . . A . 70 TYR QE . . . 94 . HB# . . . . . 77 . HE# . . rr_1nct 1 747 1 OR . 1 1 85 85 TYR QE H . . . 1 1 50 50 ARG HB2 H . . . . . 6.5 4.0 6.65 . . . . . A . 70 TYR QE . . A . 35 ARG HB2 . . . 77 . HE# . . . . . 42 . HB# . . rr_1nct 1 747 2 OR . 1 1 85 85 TYR QE H . . . 1 1 50 50 ARG HB3 H . . . . . 6.5 4.0 6.65 . . . . . A . 70 TYR QE . . A . 35 ARG HB3 . . . 77 . HE# . . . . . 42 . HB# . . rr_1nct 1 748 1 . . 1 1 81 81 ASP HA H . . . 1 1 85 85 TYR QE H . . . . . 5.5 3.0 5.65 . . . . . A . 66 ASP HA . . A . 70 TYR QE . . . 73 . HA . . . . . 77 . HE# . . rr_1nct 1 749 1 . . 1 1 81 81 ASP HB2 H . . . 1 1 85 85 TYR QE H . . . . . 5.1 2.6 5.25 . . . . . A . 66 ASP HB2 . . A . 70 TYR QE . . . 73 . HB2 . . . . . 77 . HE# . . rr_1nct 1 750 1 . . 1 1 81 81 ASP HB3 H . . . 1 1 85 85 TYR QE H . . . . . 3.9 1.4 4.05 . . . . . A . 66 ASP HB3 . . A . 70 TYR QE . . . 73 . HB1 . . . . . 77 . HE# . . rr_1nct 1 751 1 OR . 1 1 85 85 TYR QE H . . . 1 1 55 55 LEU HB2 H . . . . . 6.5 4.0 6.65 . . . . . A . 70 TYR QE . . A . 40 LEU HB2 . . . 77 . HE# . . . . . 47 . HB# . . rr_1nct 1 751 2 OR . 1 1 55 55 LEU HB3 H . . . 1 1 85 85 TYR QE H . . . . . 6.5 4.0 6.65 . . . . . A . 40 LEU HB3 . . A . 70 TYR QE . . . 47 . HB# . . . . . 77 . HE# . . rr_1nct 1 752 1 . . 1 1 55 55 LEU MD1 H . . . 1 1 85 85 TYR QE H . . . . . 5.5 3.0 5.65 . . . . . A . 40 LEU MD1 . . A . 70 TYR QE . . . 47 . HD1# . . . . . 77 . HE# . . rr_1nct 1 753 1 . . 1 1 55 55 LEU MD2 H . . . 1 1 85 85 TYR QE H . . . . . 5.5 3.0 5.65 . . . . . A . 40 LEU MD2 . . A . 70 TYR QE . . . 47 . HD2# . . . . . 77 . HE# . . rr_1nct 1 754 1 . . 1 1 55 55 LEU HG H . . . 1 1 85 85 TYR QE H . . . . . 5.0 2.5 5.15 . . . . . A . 40 LEU HG . . A . 70 TYR QE . . . 47 . HG . . . . . 77 . HE# . . rr_1nct 1 755 1 OR . 1 1 85 85 TYR QE H . . . 1 1 74 74 ILE HG12 H . . . . . 7.2 4.7 7.35 . . . . . A . 70 TYR QE . . A . 59 ILE HG12 . . . 77 . HE# . . . . . 66 . HG1# . . rr_1nct 1 755 2 OR . 1 1 85 85 TYR QE H . . . 1 1 74 74 ILE HG13 H . . . . . 7.2 4.7 7.35 . . . . . A . 70 TYR QE . . A . 59 ILE HG13 . . . 77 . HE# . . . . . 66 . HG1# . . rr_1nct 1 756 1 . . 1 1 85 85 TYR QE H . . . 1 1 74 74 ILE MD H . . . . . 5.3 2.8 5.45 . . . . . A . 70 TYR QE . . A . 59 ILE MD . . . 77 . HE# . . . . . 66 . HD1# . . rr_1nct 1 757 1 . . 1 1 82 82 GLU HA H . . . 1 1 85 85 TYR QE H . . . . . 6.9 4.4 7.05 . . . . . A . 67 GLU HA . . A . 70 TYR QE . . . 74 . HA . . . . . 77 . HE# . . rr_1nct 1 758 1 . . 1 1 86 86 SER HA H . . . 1 1 100 100 PHE QD H . . . . . 5.0 2.5 5.15 . . . . . A . 71 SER HA . . A . 85 PHE QD . . . 78 . HA . . . . . 92 . HD# . . rr_1nct 1 759 1 . . 1 1 23 23 SER HA H . . . 1 1 100 100 PHE QD H . . . . . 4.9 2.4 5.05 . . . . . A . 8 SER HA . . A . 85 PHE QD . . . 15 . HA . . . . . 92 . HD# . . rr_1nct 1 760 1 OR . 1 1 100 100 PHE QD H . . . 1 1 85 85 TYR HB2 H . . . . . 5.7 3.2 5.85 . . . . . A . 85 PHE QD . . A . 70 TYR HB2 . . . 92 . HD# . . . . . 77 . HB# . . rr_1nct 1 760 2 OR . 1 1 85 85 TYR HB3 H . . . 1 1 100 100 PHE QD H . . . . . 5.7 3.2 5.85 . . . . . A . 70 TYR HB3 . . A . 85 PHE QD . . . 77 . HB# . . . . . 92 . HD# . . rr_1nct 1 761 1 . . 1 1 87 87 VAL HB H . . . 1 1 100 100 PHE QD H . . . . . 6.3 3.8 6.45 . . . . . A . 72 VAL HB . . A . 85 PHE QD . . . 79 . HB . . . . . 92 . HD# . . rr_1nct 1 762 1 OR . 1 1 100 100 PHE QD H . . . 1 1 102 102 LEU HB2 H . . . . . 6.5 4.0 6.65 . . . . . A . 85 PHE QD . . A . 87 LEU HB2 . . . 92 . HD# . . . . . 94 . HB# . . rr_1nct 1 762 2 OR . 1 1 102 102 LEU HB3 H . . . 1 1 100 100 PHE QD H . . . . . 6.5 4.0 6.65 . . . . . A . 87 LEU HB3 . . A . 85 PHE QD . . . 94 . HB# . . . . . 92 . HD# . . rr_1nct 1 763 1 . . 1 1 86 86 SER HA H . . . 1 1 100 100 PHE QD H . . . . . 4.9 2.4 5.05 . . . . . A . 71 SER HA . . A . 85 PHE QD . . . 78 . HA . . . . . 92 . HD# . . rr_1nct 1 764 1 OR . 1 1 100 100 PHE QD H . . . 1 1 21 21 PRO HG2 H . . . . . 5.5 3.0 5.65 . . . . . A . 85 PHE QD . . A . 6 PRO HG2 . . . 92 . HD# . . . . . 13 . HG# . . rr_1nct 1 764 2 OR . 1 1 100 100 PHE QD H . . . 1 1 21 21 PRO HG3 H . . . . . 5.5 3.0 5.65 . . . . . A . 85 PHE QD . . A . 6 PRO HG3 . . . 92 . HD# . . . . . 13 . HG# . . rr_1nct 1 765 1 OR . 1 1 100 100 PHE QD H . . . 1 1 21 21 PRO HD2 H . . . . . 6.8 4.3 6.95 . . . . . A . 85 PHE QD . . A . 6 PRO HD2 . . . 92 . HD# . . . . . 13 . HD# . . rr_1nct 1 765 2 OR . 1 1 21 21 PRO HD3 H . . . 1 1 100 100 PHE QD H . . . . . 6.8 4.3 6.95 . . . . . A . 6 PRO HD3 . . A . 85 PHE QD . . . 13 . HD# . . . . . 92 . HD# . . rr_1nct 1 766 1 . . 1 1 98 98 ALA MB H . . . 1 1 100 100 PHE QD H . . . . . 6.5 4.0 6.65 . . . . . A . 83 ALA MB . . A . 85 PHE QD . . . 90 . HB# . . . . . 92 . HD# . . rr_1nct 1 767 1 . . 1 1 87 87 VAL MG1 H . . . 1 1 100 100 PHE QE H . . . . . 5.0 2.5 5.15 . . . . . A . 72 VAL MG1 . . A . 85 PHE QE . . . 79 . HG1# . . . . . 92 . HE# . . rr_1nct 1 768 1 . . 1 1 23 23 SER HA H . . . 1 1 100 100 PHE QE H . . . . . 5.7 3.2 5.85 . . . . . A . 8 SER HA . . A . 85 PHE QE . . . 15 . HA . . . . . 92 . HE# . . rr_1nct 1 769 1 OR . 1 1 100 100 PHE QE H . . . 1 1 85 85 TYR HB2 H . . . . . 4.7 2.2 4.85 . . . . . A . 85 PHE QE . . A . 70 TYR HB2 . . . 92 . HE# . . . . . 77 . HB# . . rr_1nct 1 769 2 OR . 1 1 85 85 TYR HB3 H . . . 1 1 100 100 PHE QE H . . . . . 4.7 2.2 4.85 . . . . . A . 70 TYR HB3 . . A . 85 PHE QE . . . 77 . HB# . . . . . 92 . HE# . . rr_1nct 1 770 1 OR . 1 1 100 100 PHE QE H . . . 1 1 102 102 LEU HB2 H . . . . . 6.0 3.5 6.15 . . . . . A . 85 PHE QE . . A . 87 LEU HB2 . . . 92 . HE# . . . . . 94 . HB# . . rr_1nct 1 770 2 OR . 1 1 102 102 LEU HB3 H . . . 1 1 100 100 PHE QE H . . . . . 6.0 3.5 6.15 . . . . . A . 87 LEU HB3 . . A . 85 PHE QE . . . 94 . HB# . . . . . 92 . HE# . . rr_1nct 1 771 1 . . 1 1 87 87 VAL HB H . . . 1 1 100 100 PHE QE H . . . . . 4.9 2.4 5.05 . . . . . A . 72 VAL HB . . A . 85 PHE QE . . . 79 . HB . . . . . 92 . HE# . . rr_1nct 1 772 1 . . 1 1 100 100 PHE QE H . . . 1 1 74 74 ILE MD H . . . . . 6.7 4.2 6.85 . . . . . A . 85 PHE QE . . A . 59 ILE MD . . . 92 . HE# . . . . . 66 . HD1# . . rr_1nct 1 773 1 OR . 1 1 12 12 THR H H . . . 1 1 10 10 LYS HD2 H . . . . . 4.4 1.9 4.55 . . . . . . . . . . . . . . . . . . . . 4 . HN . . . . . 2 . HD# . . rr_1nct 1 773 2 OR . 1 1 10 10 LYS HD3 H . . . 1 1 12 12 THR H H . . . . . 4.4 1.9 4.55 . . . . . . . . . . . . . . . . . . . . 2 . HD# . . . . . 4 . HN . . rr_1nct 1 774 1 OR . 1 1 12 12 THR H H . . . 1 1 41 41 GLU HB2 H . . . . . 4.2 1.7 4.35 . . . . . . . . . . . . A . 26 GLU HB2 . . . 4 . HN . . . . . 33 . HB# . . rr_1nct 1 774 2 OR . 1 1 12 12 THR H H . . . 1 1 41 41 GLU HB3 H . . . . . 4.2 1.7 4.35 . . . . . . . . . . . . A . 26 GLU HB3 . . . 4 . HN . . . . . 33 . HB# . . rr_1nct 1 775 1 OR . 1 1 12 12 THR H H . . . 1 1 41 41 GLU HG2 H . . . . . 4.5 2.0 4.65 . . . . . . . . . . . . A . 26 GLU HG2 . . . 4 . HN . . . . . 33 . HG# . . rr_1nct 1 775 2 OR . 1 1 12 12 THR H H . . . 1 1 41 41 GLU HG3 H . . . . . 4.5 2.0 4.65 . . . . . . . . . . . . A . 26 GLU HG3 . . . 4 . HN . . . . . 33 . HG# . . rr_1nct 1 776 1 OR . 1 1 13 13 LEU H H . . . 1 1 41 41 GLU HB2 H . . . . . 4.3 1.8 4.45 . . . . . . . . . . . . A . 26 GLU HB2 . . . 5 . HN . . . . . 33 . HB# . . rr_1nct 1 776 2 OR . 1 1 13 13 LEU H H . . . 1 1 41 41 GLU HB3 H . . . . . 4.3 1.8 4.45 . . . . . . . . . . . . A . 26 GLU HB3 . . . 5 . HN . . . . . 33 . HB# . . rr_1nct 1 777 1 OR . 1 1 13 13 LEU H H . . . 1 1 41 41 GLU HG2 H . . . . . 4.6 2.1 4.75 . . . . . . . . . . . . A . 26 GLU HG2 . . . 5 . HN . . . . . 33 . HG# . . rr_1nct 1 777 2 OR . 1 1 13 13 LEU H H . . . 1 1 41 41 GLU HG3 H . . . . . 4.6 2.1 4.75 . . . . . . . . . . . . A . 26 GLU HG3 . . . 5 . HN . . . . . 33 . HG# . . rr_1nct 1 778 1 OR . 1 1 14 14 ALA H H . . . 1 1 93 93 GLU HG2 H . . . . . 5.2 2.7 5.35 . . . . . . . . . . . . A . 78 GLU HG2 . . . 6 . HN . . . . . 85 . HG# . . rr_1nct 1 778 2 OR . 1 1 14 14 ALA H H . . . 1 1 93 93 GLU HG3 H . . . . . 5.2 2.7 5.35 . . . . . . . . . . . . A . 78 GLU HG3 . . . 6 . HN . . . . . 85 . HG# . . rr_1nct 1 779 1 OR . 1 1 15 15 ALA H H . . . 1 1 93 93 GLU HG2 H . . . . . 4.7 2.2 4.85 . . . . . . . . . . . . A . 78 GLU HG2 . . . 7 . HN . . . . . 85 . HG# . . rr_1nct 1 779 2 OR . 1 1 15 15 ALA H H . . . 1 1 93 93 GLU HG3 H . . . . . 4.7 2.2 4.85 . . . . . . . . . . . . A . 78 GLU HG3 . . . 7 . HN . . . . . 85 . HG# . . rr_1nct 1 780 1 OR . 1 1 15 15 ALA H H . . . 1 1 93 93 GLU HB2 H . . . . . 6.4 3.9 6.55 . . . . . . . . . . . . A . 78 GLU HB2 . . . 7 . HN . . . . . 85 . HB# . . rr_1nct 1 780 2 OR . 1 1 15 15 ALA H H . . . 1 1 93 93 GLU HB3 H . . . . . 6.4 3.9 6.55 . . . . . . . . . . . . A . 78 GLU HB3 . . . 7 . HN . . . . . 85 . HB# . . rr_1nct 1 781 1 . . 1 1 13 13 LEU MD2 H . . . 1 1 15 15 ALA H H . . . . . 4.9 2.4 5.05 . . . . . . . . . . . . . . . . . . . . 5 . HD2# . . . . . 7 . HN . . rr_1nct 1 782 1 . . 1 1 16 16 ARG H H . . . 1 1 89 89 VAL MG1 H . . . . . 4.8 2.3 4.95 . . . . . A . 1 ARG H . . A . 74 VAL MG1 . . . 8 . HN . . . . . 81 . HG1# . . rr_1nct 1 783 1 OR . 1 1 16 16 ARG HA H . . . 1 1 17 17 ILE HG12 H . . . . . 4.8 2.3 4.95 . . . . . A . 1 ARG HA . . A . 2 ILE HG12 . . . 8 . HA . . . . . 9 . HG1# . . rr_1nct 1 783 2 OR . 1 1 16 16 ARG HA H . . . 1 1 17 17 ILE HG13 H . . . . . 4.8 2.3 4.95 . . . . . A . 1 ARG HA . . A . 2 ILE HG13 . . . 8 . HA . . . . . 9 . HG1# . . rr_1nct 1 784 1 OR . 1 1 17 17 ILE H H . . . 1 1 96 96 GLN HG2 H . . . . . 4.3 1.8 4.45 . . . . . A . 2 ILE H . . A . 81 GLN HG2 . . . 9 . HN . . . . . 88 . HG# . . rr_1nct 1 784 2 OR . 1 1 17 17 ILE H H . . . 1 1 96 96 GLN HG3 H . . . . . 4.3 1.8 4.45 . . . . . A . 2 ILE H . . A . 81 GLN HG3 . . . 9 . HN . . . . . 88 . HG# . . rr_1nct 1 785 1 . . 1 1 19 19 THR H H . . . 1 1 17 17 ILE MG H . . . . . 4.1 1.6 4.25 . . . . . A . 4 THR H . . A . 2 ILE MG . . . 11 . HN . . . . . 9 . HG2# . . rr_1nct 1 786 1 . . 1 1 19 19 THR H H . . . 1 1 37 37 ASP HB2 H . . . . . 3.6 1.1 3.75 . . . . . A . 4 THR H . . A . 22 ASP HB2 . . . 11 . HN . . . . . 29 . HB2 . . rr_1nct 1 787 1 . . 1 1 19 19 THR H H . . . 1 1 37 37 ASP HB3 H . . . . . 4.2 1.7 4.35 . . . . . A . 4 THR H . . A . 22 ASP HB3 . . . 11 . HN . . . . . 29 . HB1 . . rr_1nct 1 788 1 . . 1 1 20 20 LYS H H . . . 1 1 17 17 ILE MG H . . . . . 4.5 2.0 4.65 . . . . . A . 5 LYS H . . A . 2 ILE MG . . . 12 . HN . . . . . 9 . HG2# . . rr_1nct 1 789 1 . . 1 1 17 17 ILE MG H . . . 1 1 20 20 LYS HA H . . . . . 4.0 1.5 4.15 . . . . . A . 2 ILE MG . . A . 5 LYS HA . . . 9 . HG2# . . . . . 12 . HA . . rr_1nct 1 790 1 . . 1 1 20 20 LYS HA H . . . 1 1 17 17 ILE MD H . . . . . 5.5 3.0 5.65 . . . . . A . 5 LYS HA . . A . 2 ILE MD . . . 12 . HA . . . . . 9 . HD1# . . rr_1nct 1 791 1 . . 1 1 23 23 SER HA H . . . 1 1 100 100 PHE HB2 H . . . . . 3.2 0.7 3.35 . . . . . A . 8 SER HA . . A . 85 PHE HB2 . . . 15 . HA . . . . . 92 . HB2 . . rr_1nct 1 792 1 . . 1 1 23 23 SER HA H . . . 1 1 100 100 PHE HB3 H . . . . . 4.2 1.7 4.35 . . . . . A . 8 SER HA . . A . 85 PHE HB3 . . . 15 . HA . . . . . 92 . HB1 . . rr_1nct 1 793 1 . . 1 1 23 23 SER HA H . . . 1 1 102 102 LEU MD2 H . . . . . 4.4 1.9 4.55 . . . . . A . 8 SER HA . . A . 87 LEU MD2 . . . 15 . HA . . . . . 94 . HD2# . . rr_1nct 1 794 1 . . 1 1 25 25 THR HA H . . . 1 1 103 103 THR HB H . . . . . 3.1 0.6 3.25 . . . . . A . 10 THR HA . . A . 88 THR HB . . . 17 . HA . . . . . 95 . HB . . rr_1nct 1 795 1 . . 1 1 26 26 VAL H H . . . 1 1 103 103 THR MG H . . . . . 5.7 3.2 5.85 . . . . . A . 11 VAL H . . A . 88 THR MG . . . 18 . HN . . . . . 95 . HG2# . . rr_1nct 1 796 1 . . 1 1 26 26 VAL H H . . . 1 1 104 104 ILE MG H . . . . . 5.2 2.7 5.35 . . . . . A . 11 VAL H . . A . 89 ILE MG . . . 18 . HN . . . . . 96 . HG2# . . rr_1nct 1 797 1 . . 1 1 26 26 VAL H H . . . 1 1 103 103 THR HB H . . . . . 3.7 1.2 3.85 . . . . . A . 11 VAL H . . A . 88 THR HB . . . 18 . HN . . . . . 95 . HB . . rr_1nct 1 798 1 . . 1 1 104 104 ILE MG H . . . 1 1 28 28 GLU HA H . . . . . 4.5 2.0 4.65 . . . . . A . 89 ILE MG . . A . 13 GLU HA . . . 96 . HG2# . . . . . 20 . HA . . rr_1nct 1 799 1 OR . 1 1 28 28 GLU HA H . . . 1 1 104 104 ILE HG12 H . . . . . 5.3 2.8 5.45 . . . . . A . 13 GLU HA . . A . 89 ILE HG12 . . . 20 . HA . . . . . 96 . HG1# . . rr_1nct 1 799 2 OR . 1 1 28 28 GLU HA H . . . 1 1 104 104 ILE HG13 H . . . . . 5.3 2.8 5.45 . . . . . A . 13 GLU HA . . A . 89 ILE HG13 . . . 20 . HA . . . . . 96 . HG1# . . rr_1nct 1 800 1 . . 1 1 26 26 VAL MG1 H . . . 1 1 28 28 GLU H H . . . . . 4.9 2.4 5.05 . . . . . A . 11 VAL MG1 . . A . 13 GLU H . . . 18 . HG1# . . . . . 20 . HN . . rr_1nct 1 801 1 . . 1 1 26 26 VAL MG2 H . . . 1 1 28 28 GLU H H . . . . . 4.6 2.1 4.75 . . . . . A . 11 VAL MG2 . . A . 13 GLU H . . . 18 . HG2# . . . . . 20 . HN . . rr_1nct 1 802 1 . . 1 1 29 29 GLY H H . . . 1 1 77 77 VAL MG1 H . . . . . 5.0 2.5 5.15 . . . . . A . 14 GLY H . . A . 62 VAL MG1 . . . 21 . HN . . . . . 69 . HG1# . . rr_1nct 1 803 1 . . 1 1 29 29 GLY H H . . . 1 1 77 77 VAL HB H . . . . . 5.0 2.5 5.15 . . . . . A . 14 GLY H . . A . 62 VAL HB . . . 21 . HN . . . . . 69 . HB . . rr_1nct 1 804 1 . . 1 1 26 26 VAL MG2 H . . . 1 1 29 29 GLY H H . . . . . 5.2 2.7 5.35 . . . . . A . 11 VAL MG2 . . A . 14 GLY H . . . 18 . HG2# . . . . . 21 . HN . . rr_1nct 1 805 1 . . 1 1 26 26 VAL MG2 H . . . 1 1 30 30 GLU H H . . . . . 4.4 1.9 4.55 . . . . . A . 11 VAL MG2 . . A . 15 GLU H . . . 18 . HG2# . . . . . 22 . HN . . rr_1nct 1 806 1 . . 1 1 26 26 VAL MG1 H . . . 1 1 30 30 GLU H H . . . . . 4.2 1.7 4.35 . . . . . A . 11 VAL MG1 . . A . 15 GLU H . . . 18 . HG1# . . . . . 22 . HN . . rr_1nct 1 807 1 . . 1 1 26 26 VAL MG1 H . . . 1 1 31 31 SER H H . . . . . 5.1 2.6 5.25 . . . . . A . 11 VAL MG1 . . A . 16 SER H . . . 18 . HG1# . . . . . 23 . HN . . rr_1nct 1 808 1 . . 1 1 26 26 VAL MG2 H . . . 1 1 31 31 SER H H . . . . . 5.0 2.5 5.15 . . . . . A . 11 VAL MG2 . . A . 16 SER H . . . 18 . HG2# . . . . . 23 . HN . . rr_1nct 1 809 1 . . 1 1 26 26 VAL MG2 H . . . 1 1 32 32 ALA H H . . . . . 5.4 2.9 5.55 . . . . . A . 11 VAL MG2 . . A . 17 ALA H . . . 18 . HG2# . . . . . 24 . HN . . rr_1nct 1 810 1 . . 1 1 26 26 VAL MG1 H . . . 1 1 32 32 ALA H H . . . . . 4.8 2.3 4.95 . . . . . A . 11 VAL MG1 . . A . 17 ALA H . . . 18 . HG1# . . . . . 24 . HN . . rr_1nct 1 811 1 . . 1 1 33 33 ARG H H . . . 1 1 24 24 MET ME H . . . . . 4.5 2.0 4.65 . . . . . A . 18 ARG H . . A . 9 MET ME . . . 25 . HN . . . . . 16 . HE# . . rr_1nct 1 812 1 OR . 1 1 35 35 SER H H . . . 1 1 21 21 PRO HB3 H . . . . . 4.6 2.1 4.75 . . . . . A . 20 SER H . . A . 6 PRO HB3 . . . 27 . HN . . . . . 13 . HB# . . rr_1nct 1 812 2 OR . 1 1 21 21 PRO HB2 H . . . 1 1 35 35 SER H H . . . . . 4.6 2.1 4.75 . . . . . A . 6 PRO HB2 . . A . 20 SER H . . . 13 . HB# . . . . . 27 . HN . . rr_1nct 1 813 1 OR . 1 1 35 35 SER H H . . . 1 1 21 21 PRO HG2 H . . . . . 5.2 2.7 5.35 . . . . . A . 20 SER H . . A . 6 PRO HG2 . . . 27 . HN . . . . . 13 . HG# . . rr_1nct 1 813 2 OR . 1 1 35 35 SER H H . . . 1 1 21 21 PRO HG3 H . . . . . 5.2 2.7 5.35 . . . . . A . 20 SER H . . A . 6 PRO HG3 . . . 27 . HN . . . . . 13 . HG# . . rr_1nct 1 814 1 . . 1 1 35 35 SER HA H . . . 1 1 71 71 THR MG H . . . . . 4.3 1.8 4.45 . . . . . A . 20 SER HA . . A . 56 THR MG . . . 27 . HA . . . . . 63 . HG2# . . rr_1nct 1 815 1 . . 1 1 36 36 CYS H H . . . 1 1 71 71 THR MG H . . . . . 5.0 2.5 5.15 . . . . . A . 21 CYS H . . A . 56 THR MG . . . 28 . HN . . . . . 63 . HG2# . . rr_1nct 1 816 1 . . 1 1 21 21 PRO HB2 H . . . 1 1 36 36 CYS HA H . . . . . 5.6 3.1 5.75 . . . . . A . 6 PRO HB2 . . A . 21 CYS HA . . . 13 . HB2 . . . . . 28 . HA . . rr_1nct 1 817 1 . . 1 1 36 36 CYS HA H . . . 1 1 21 21 PRO HB3 H . . . . . 4.3 1.8 4.45 . . . . . A . 21 CYS HA . . A . 6 PRO HB3 . . . 28 . HA . . . . . 13 . HB1 . . rr_1nct 1 818 1 . . 1 1 19 19 THR HB H . . . 1 1 36 36 CYS HA H . . . . . 3.5 1.0 3.65 . . . . . A . 4 THR HB . . A . 21 CYS HA . . . 11 . HB . . . . . 28 . HA . . rr_1nct 1 819 1 . . 1 1 19 19 THR HB H . . . 1 1 37 37 ASP H H . . . . . 3.0 0.5 3.15 . . . . . A . 4 THR HB . . A . 22 ASP H . . . 11 . HB . . . . . 29 . HN . . rr_1nct 1 820 1 . . 1 1 37 37 ASP H H . . . 1 1 19 19 THR MG H . . . . . 4.6 2.1 4.75 . . . . . A . 22 ASP H . . A . 4 THR MG . . . 29 . HN . . . . . 11 . HG2# . . rr_1nct 1 821 1 . . 1 1 37 37 ASP H H . . . 1 1 18 18 LEU MD2 H . . . . . 5.0 2.5 5.15 . . . . . A . 22 ASP H . . A . 3 LEU MD2 . . . 29 . HN . . . . . 10 . HD2# . . rr_1nct 1 822 1 . . 1 1 37 37 ASP HA H . . . 1 1 69 69 LYS HB2 H . . . . . 3.2 0.7 3.35 . . . . . A . 22 ASP HA . . A . 54 LYS HB2 . . . 29 . HA . . . . . 61 . HB2 . . rr_1nct 1 823 1 . . 1 1 37 37 ASP HA H . . . 1 1 69 69 LYS HB3 H . . . . . 4.5 2.0 4.65 . . . . . A . 22 ASP HA . . A . 54 LYS HB3 . . . 29 . HA . . . . . 61 . HB1 . . rr_1nct 1 824 1 . . 1 1 37 37 ASP HA H . . . 1 1 69 69 LYS HG2 H . . . . . 5.5 3.0 5.65 . . . . . A . 22 ASP HA . . A . 54 LYS HG2 . . . 29 . HA . . . . . 61 . HG2 . . rr_1nct 1 825 1 . . 1 1 37 37 ASP HA H . . . 1 1 69 69 LYS HG3 H . . . . . 5.0 2.5 5.15 . . . . . A . 22 ASP HA . . A . 54 LYS HG3 . . . 29 . HA . . . . . 61 . HG1 . . rr_1nct 1 826 1 OR . 1 1 39 39 ASP H H . . . 1 1 18 18 LEU HB2 H . . . . . 4.7 2.2 4.85 . . . . . A . 24 ASP H . . A . 3 LEU HB2 . . . 31 . HN . . . . . 10 . HB# . . rr_1nct 1 826 2 OR . 1 1 39 39 ASP H H . . . 1 1 18 18 LEU HB3 H . . . . . 4.7 2.2 4.85 . . . . . A . 24 ASP H . . A . 3 LEU HB3 . . . 31 . HN . . . . . 10 . HB# . . rr_1nct 1 827 1 . . 1 1 39 39 ASP H H . . . 1 1 18 18 LEU MD1 H . . . . . 5.5 3.0 5.65 . . . . . A . 24 ASP H . . A . 3 LEU MD1 . . . 31 . HN . . . . . 10 . HD1# . . rr_1nct 1 828 1 . . 1 1 13 13 LEU MD2 H . . . 1 1 40 40 GLY H H . . . . . 5.0 2.5 5.15 . . . . . . . . . . . . A . 25 GLY H . . . 5 . HD2# . . . . . 32 . HN . . rr_1nct 1 829 1 OR . 1 1 40 40 GLY H H . . . 1 1 16 16 ARG HG2 H . . . . . 6.6 4.1 6.75 . . . . . A . 25 GLY H . . A . 1 ARG HG2 . . . 32 . HN . . . . . 8 . HG# . . rr_1nct 1 829 2 OR . 1 1 40 40 GLY H H . . . 1 1 16 16 ARG HG3 H . . . . . 6.6 4.1 6.75 . . . . . A . 25 GLY H . . A . 1 ARG HG3 . . . 32 . HN . . . . . 8 . HG# . . rr_1nct 1 830 1 . . 1 1 13 13 LEU MD1 H . . . 1 1 41 41 GLU H H . . . . . 4.9 2.4 5.05 . . . . . . . . . . . . A . 26 GLU H . . . 5 . HD1# . . . . . 33 . HN . . rr_1nct 1 831 1 . . 1 1 13 13 LEU MD2 H . . . 1 1 41 41 GLU H H . . . . . 4.6 2.1 4.75 . . . . . . . . . . . . A . 26 GLU H . . . 5 . HD2# . . . . . 33 . HN . . rr_1nct 1 832 1 . . 1 1 41 41 GLU H H . . . 1 1 13 13 LEU HG H . . . . . 4.9 2.4 5.05 . . . . . A . 26 GLU H . . . . . . . . . . 33 . HN . . . . . 5 . HG . . rr_1nct 1 833 1 . . 1 1 44 44 PRO HA H . . . 1 1 91 91 ASN HB2 H . . . . . 3.2 0.7 3.35 . . . . . A . 29 PRO HA . . A . 76 ASN HB2 . . . 36 . HA . . . . . 83 . HB2 . . rr_1nct 1 834 1 . . 1 1 44 44 PRO HA H . . . 1 1 91 91 ASN HB3 H . . . . . 2.8 0.3 2.95 . . . . . A . 29 PRO HA . . A . 76 ASN HB3 . . . 36 . HA . . . . . 83 . HB1 . . rr_1nct 1 835 1 . . 1 1 45 45 THR H H . . . 1 1 91 91 ASN HB2 H . . . . . 4.4 1.9 4.55 . . . . . A . 30 THR H . . A . 76 ASN HB2 . . . 37 . HN . . . . . 83 . HB2 . . rr_1nct 1 836 1 . . 1 1 45 45 THR H H . . . 1 1 91 91 ASN HB3 H . . . . . 4.4 1.9 4.55 . . . . . A . 30 THR H . . A . 76 ASN HB3 . . . 37 . HN . . . . . 83 . HB1 . . rr_1nct 1 837 1 . . 1 1 45 45 THR H H . . . 1 1 89 89 VAL MG1 H . . . . . 5.0 2.5 5.15 . . . . . A . 30 THR H . . A . 74 VAL MG1 . . . 37 . HN . . . . . 81 . HG1# . . rr_1nct 1 838 1 . . 1 1 87 87 VAL MG2 H . . . 1 1 46 46 VAL HA H . . . . . 4.3 1.8 4.45 . . . . . A . 72 VAL MG2 . . A . 31 VAL HA . . . 79 . HG2# . . . . . 38 . HA . . rr_1nct 1 839 1 . . 1 1 47 47 THR H H . . . 1 1 87 87 VAL MG2 H . . . . . 4.7 2.2 4.85 . . . . . A . 32 THR H . . A . 72 VAL MG2 . . . 39 . HN . . . . . 79 . HG2# . . rr_1nct 1 840 1 . . 1 1 46 46 VAL MG2 H . . . 1 1 47 47 THR HA H . . . . . 5.0 2.5 5.15 . . . . . A . 31 VAL MG2 . . A . 32 THR HA . . . 38 . HG2# . . . . . 39 . HA . . rr_1nct 1 841 1 . . 1 1 46 46 VAL MG1 H . . . 1 1 48 48 TRP H H . . . . . 4.9 2.4 5.05 . . . . . A . 31 VAL MG1 . . A . 33 TRP H . . . 38 . HG1# . . . . . 40 . HN . . rr_1nct 1 842 1 . . 1 1 48 48 TRP HA H . . . 1 1 87 87 VAL HB H . . . . . 3.1 0.6 3.25 . . . . . A . 33 TRP HA . . A . 72 VAL HB . . . 40 . HA . . . . . 79 . HB . . rr_1nct 1 843 1 . . 1 1 48 48 TRP HA H . . . 1 1 55 55 LEU MD2 H . . . . . 4.7 2.2 4.85 . . . . . A . 33 TRP HA . . A . 40 LEU MD2 . . . 40 . HA . . . . . 47 . HD2# . . rr_1nct 1 844 1 . . 1 1 48 48 TRP HA H . . . 1 1 87 87 VAL MG1 H . . . . . 4.8 2.3 4.95 . . . . . A . 33 TRP HA . . A . 72 VAL MG1 . . . 40 . HA . . . . . 79 . HG1# . . rr_1nct 1 845 1 . . 1 1 48 48 TRP HA H . . . 1 1 87 87 VAL MG2 H . . . . . 3.8 1.3 3.95 . . . . . A . 33 TRP HA . . A . 72 VAL MG2 . . . 40 . HA . . . . . 79 . HG2# . . rr_1nct 1 846 1 . . 1 1 49 49 LEU H H . . . 1 1 87 87 VAL HB H . . . . . 4.5 2.0 4.65 . . . . . A . 34 LEU H . . A . 72 VAL HB . . . 41 . HN . . . . . 79 . HB . . rr_1nct 1 847 1 . . 1 1 49 49 LEU H H . . . 1 1 87 87 VAL MG2 H . . . . . 5.4 2.9 5.55 . . . . . A . 34 LEU H . . A . 72 VAL MG2 . . . 41 . HN . . . . . 79 . HG2# . . rr_1nct 1 848 1 . . 1 1 49 49 LEU H H . . . 1 1 55 55 LEU MD2 H . . . . . 4.5 2.0 4.65 . . . . . A . 34 LEU H . . A . 40 LEU MD2 . . . 41 . HN . . . . . 47 . HD2# . . rr_1nct 1 849 1 . . 1 1 49 49 LEU HA H . . . 1 1 55 55 LEU HG H . . . . . 5.2 2.7 5.35 . . . . . A . 34 LEU HA . . A . 40 LEU HG . . . 41 . HA . . . . . 47 . HG . . rr_1nct 1 850 1 . . 1 1 49 49 LEU HA H . . . 1 1 55 55 LEU MD1 H . . . . . 3.6 1.1 3.75 . . . . . A . 34 LEU HA . . A . 40 LEU MD1 . . . 41 . HA . . . . . 47 . HD1# . . rr_1nct 1 851 1 . . 1 1 50 50 ARG H H . . . 1 1 55 55 LEU MD1 H . . . . . 5.0 2.5 5.15 . . . . . A . 35 ARG H . . A . 40 LEU MD1 . . . 42 . HN . . . . . 47 . HD1# . . rr_1nct 1 852 1 . . 1 1 50 50 ARG HA H . . . 1 1 55 55 LEU MD1 H . . . . . 6.0 3.5 6.15 . . . . . A . 35 ARG HA . . A . 40 LEU MD1 . . . 42 . HA . . . . . 47 . HD1# . . rr_1nct 1 853 1 . . 1 1 51 51 LYS H H . . . 1 1 49 49 LEU MD1 H . . . . . 6.4 3.9 6.55 . . . . . A . 36 LYS H . . A . 34 LEU MD1 . . . 43 . HN . . . . . 41 . HD1# . . rr_1nct 1 854 1 . . 1 1 52 52 GLY HA3 H . . . 1 1 55 55 LEU MD1 H . . . . . 5.1 2.6 5.25 . . . . . A . 37 GLY HA3 . . A . 40 LEU MD1 . . . 44 . HA1 . . . . . 47 . HD1# . . rr_1nct 1 855 1 . . 1 1 52 52 GLY H H . . . 1 1 55 55 LEU MD1 H . . . . . 5.1 2.6 5.25 . . . . . A . 37 GLY H . . A . 40 LEU MD1 . . . 44 . HN . . . . . 47 . HD1# . . rr_1nct 1 856 1 . . 1 1 53 53 GLN H H . . . 1 1 55 55 LEU MD1 H . . . . . 6.0 3.5 6.15 . . . . . A . 38 GLN H . . A . 40 LEU MD1 . . . 45 . HN . . . . . 47 . HD1# . . rr_1nct 1 857 1 . . 1 1 54 54 VAL H H . . . 1 1 49 49 LEU MD1 H . . . . . 6.5 4.0 6.65 . . . . . A . 39 VAL H . . A . 34 LEU MD1 . . . 46 . HN . . . . . 41 . HD1# . . rr_1nct 1 858 1 . . 1 1 55 55 LEU HA H . . . 1 1 61 61 HIS HB2 H . . . . . 4.6 2.1 4.75 . . . . . A . 40 LEU HA . . A . 46 HIS HB2 . . . 47 . HA . . . . . 53 . HB2 . . rr_1nct 1 859 1 . . 1 1 55 55 LEU HA H . . . 1 1 61 61 HIS HB3 H . . . . . 4.7 2.2 4.85 . . . . . A . 40 LEU HA . . A . 46 HIS HB3 . . . 47 . HA . . . . . 53 . HB1 . . rr_1nct 1 860 1 . . 1 1 56 56 SER HA H . . . 1 1 63 63 VAL MG1 H . . . . . 5.5 3.0 5.65 . . . . . A . 41 SER HA . . A . 48 VAL MG1 . . . 48 . HA . . . . . 55 . HG1# . . rr_1nct 1 861 1 . . 1 1 56 56 SER HA H . . . 1 1 63 63 VAL MG2 H . . . . . 5.5 3.0 5.65 . . . . . A . 41 SER HA . . A . 48 VAL MG2 . . . 48 . HA . . . . . 55 . HG2# . . rr_1nct 1 862 1 . . 1 1 57 57 THR H H . . . 1 1 63 63 VAL MG2 H . . . . . 5.0 2.5 5.15 . . . . . A . 42 THR H . . A . 48 VAL MG2 . . . 49 . HN . . . . . 55 . HG2# . . rr_1nct 1 863 1 . . 1 1 57 57 THR H H . . . 1 1 63 63 VAL HB H . . . . . 4.3 1.8 4.45 . . . . . A . 42 THR H . . A . 48 VAL HB . . . 49 . HN . . . . . 55 . HB . . rr_1nct 1 864 1 . . 1 1 57 57 THR H H . . . 1 1 63 63 VAL MG1 H . . . . . 6.4 3.9 6.55 . . . . . A . 42 THR H . . A . 48 VAL MG1 . . . 49 . HN . . . . . 55 . HG1# . . rr_1nct 1 865 1 OR . 1 1 58 58 SER H H . . . 1 1 61 61 HIS HB3 H . . . . . 5.4 2.9 5.55 . . . . . A . 43 SER H . . A . 46 HIS HB3 . . . 50 . HN . . . . . 53 . HB# . . rr_1nct 1 865 2 OR . 1 1 58 58 SER H H . . . 1 1 61 61 HIS HB2 H . . . . . 5.4 2.9 5.55 . . . . . A . 43 SER H . . A . 46 HIS HB2 . . . 50 . HN . . . . . 53 . HB# . . rr_1nct 1 866 1 OR . 1 1 60 60 ARG H H . . . 1 1 58 58 SER HB3 H . . . . . 5.0 2.5 5.15 . . . . . A . 45 ARG H . . A . 43 SER HB3 . . . 52 . HN . . . . . 50 . HB# . . rr_1nct 1 866 2 OR . 1 1 60 60 ARG H H . . . 1 1 58 58 SER HB2 H . . . . . 5.0 2.5 5.15 . . . . . A . 45 ARG H . . A . 43 SER HB2 . . . 52 . HN . . . . . 50 . HB# . . rr_1nct 1 867 1 . . 1 1 61 61 HIS HA H . . . 1 1 74 74 ILE MD H . . . . . 5.5 3.0 5.65 . . . . . A . 46 HIS HA . . A . 59 ILE MD . . . 53 . HA . . . . . 66 . HD1# . . rr_1nct 1 868 1 OR . 1 1 61 61 HIS H H . . . 1 1 58 58 SER HB3 H . . . . . 5.5 3.0 5.65 . . . . . A . 46 HIS H . . A . 43 SER HB3 . . . 53 . HN . . . . . 50 . HB# . . rr_1nct 1 868 2 OR . 1 1 61 61 HIS H H . . . 1 1 58 58 SER HB2 H . . . . . 5.5 3.0 5.65 . . . . . A . 46 HIS H . . A . 43 SER HB2 . . . 53 . HN . . . . . 50 . HB# . . rr_1nct 1 869 1 . . 1 1 61 61 HIS H H . . . 1 1 57 57 THR HB H . . . . . 5.6 3.1 5.75 . . . . . A . 46 HIS H . . A . 42 THR HB . . . 53 . HN . . . . . 49 . HB . . rr_1nct 1 870 1 OR . 1 1 62 62 GLN H H . . . 1 1 73 73 GLU HG2 H . . . . . 4.5 2.0 4.65 . . . . . A . 47 GLN H . . A . 58 GLU HG2 . . . 54 . HN . . . . . 65 . HG# . . rr_1nct 1 870 2 OR . 1 1 62 62 GLN H H . . . 1 1 73 73 GLU HG3 H . . . . . 4.5 2.0 4.65 . . . . . A . 47 GLN H . . A . 58 GLU HG3 . . . 54 . HN . . . . . 65 . HG# . . rr_1nct 1 871 1 . . 1 1 62 62 GLN H H . . . 1 1 74 74 ILE MG H . . . . . 5.3 2.8 5.45 . . . . . A . 47 GLN H . . A . 59 ILE MG . . . 54 . HN . . . . . 66 . HG2# . . rr_1nct 1 872 1 OR . 1 1 62 62 GLN H H . . . 1 1 74 74 ILE HG12 H . . . . . 4.5 2.0 4.65 . . . . . A . 47 GLN H . . A . 59 ILE HG12 . . . 54 . HN . . . . . 66 . HG1# . . rr_1nct 1 872 2 OR . 1 1 62 62 GLN H H . . . 1 1 74 74 ILE HG13 H . . . . . 4.5 2.0 4.65 . . . . . A . 47 GLN H . . A . 59 ILE HG13 . . . 54 . HN . . . . . 66 . HG1# . . rr_1nct 1 873 1 . . 1 1 57 57 THR MG H . . . 1 1 63 63 VAL H H . . . . . 4.6 2.1 4.75 . . . . . A . 42 THR MG . . A . 48 VAL H . . . 49 . HG2# . . . . . 55 . HN . . rr_1nct 1 874 1 . . 1 1 65 65 THR HA H . . . 1 1 70 70 SER HB2 H . . . . . 3.8 1.3 3.95 . . . . . A . 50 THR HA . . A . 55 SER HB2 . . . 57 . HA . . . . . 62 . HB2 . . rr_1nct 1 875 1 . . 1 1 65 65 THR HA H . . . 1 1 70 70 SER HB3 H . . . . . 4.3 1.8 4.45 . . . . . A . 50 THR HA . . A . 55 SER HB3 . . . 57 . HA . . . . . 62 . HB1 . . rr_1nct 1 876 1 . . 1 1 43 43 VAL MG2 H . . . 1 1 67 67 LYS HA H . . . . . 5.5 3.0 5.65 . . . . . A . 28 VAL MG2 . . A . 52 LYS HA . . . 35 . HG2# . . . . . 59 . HA . . rr_1nct 1 877 1 . . 1 1 43 43 VAL MG1 H . . . 1 1 67 67 LYS HA H . . . . . 4.5 2.0 4.65 . . . . . A . 28 VAL MG1 . . A . 52 LYS HA . . . 35 . HG1# . . . . . 59 . HA . . rr_1nct 1 878 1 . . 1 1 68 68 TYR H H . . . 1 1 66 66 THR MG H . . . . . 4.9 2.4 5.05 . . . . . A . 53 TYR H . . A . 51 THR MG . . . 60 . HN . . . . . 58 . HG2# . . rr_1nct 1 879 1 . . 1 1 69 69 LYS H H . . . 1 1 66 66 THR MG H . . . . . 5.2 2.7 5.35 . . . . . A . 54 LYS H . . A . 51 THR MG . . . 61 . HN . . . . . 58 . HG2# . . rr_1nct 1 880 1 . . 1 1 70 70 SER H H . . . 1 1 36 36 CYS HG H . . . . . 3.7 1.2 3.85 . . . . . A . 55 SER H . . A . 21 CYS HG . . . 62 . HN . . . . . 28 . HG . . rr_1nct 1 881 1 . . 1 1 46 46 VAL MG2 H . . . 1 1 70 70 SER H H . . . . . 5.3 2.8 5.45 . . . . . A . 31 VAL MG2 . . A . 55 SER H . . . 38 . HG2# . . . . . 62 . HN . . rr_1nct 1 882 1 . . 1 1 70 70 SER HA H . . . 1 1 65 65 THR MG H . . . . . 4.7 2.2 4.85 . . . . . A . 55 SER HA . . A . 50 THR MG . . . 62 . HA . . . . . 57 . HG2# . . rr_1nct 1 883 1 . . 1 1 46 46 VAL MG2 H . . . 1 1 70 70 SER HA H . . . . . 6.0 3.5 6.15 . . . . . A . 31 VAL MG2 . . A . 55 SER HA . . . 38 . HG2# . . . . . 62 . HA . . rr_1nct 1 884 1 . . 1 1 63 63 VAL MG2 H . . . 1 1 71 71 THR H H . . . . . 4.8 2.3 4.95 . . . . . A . 48 VAL MG2 . . A . 56 THR H . . . 55 . HG2# . . . . . 63 . HN . . rr_1nct 1 885 1 . . 1 1 46 46 VAL MG2 H . . . 1 1 71 71 THR H H . . . . . 5.5 3.0 5.65 . . . . . A . 31 VAL MG2 . . A . 56 THR H . . . 38 . HG2# . . . . . 63 . HN . . rr_1nct 1 886 1 OR . 1 1 71 71 THR HA H . . . 1 1 35 35 SER HB2 H . . . . . 3.9 1.4 4.05 . . . . . A . 56 THR HA . . A . 20 SER HB2 . . . 63 . HA . . . . . 27 . HB# . . rr_1nct 1 886 2 OR . 1 1 35 35 SER HB3 H . . . 1 1 71 71 THR HA H . . . . . 3.9 1.4 4.05 . . . . . A . 20 SER HB3 . . A . 56 THR HA . . . 27 . HB# . . . . . 63 . HA . . rr_1nct 1 887 1 OR . 1 1 72 72 PHE H H . . . 1 1 34 34 PHE HB2 H . . . . . 4.6 2.1 4.75 . . . . . A . 57 PHE H . . A . 19 PHE HB2 . . . 64 . HN . . . . . 26 . HB# . . rr_1nct 1 887 2 OR . 1 1 34 34 PHE HB3 H . . . 1 1 72 72 PHE H H . . . . . 4.6 2.1 4.75 . . . . . A . 19 PHE HB3 . . A . 57 PHE H . . . 26 . HB# . . . . . 64 . HN . . rr_1nct 1 888 1 . . 1 1 63 63 VAL MG1 H . . . 1 1 72 72 PHE HA H . . . . . 5.1 2.6 5.25 . . . . . A . 48 VAL MG1 . . A . 57 PHE HA . . . 55 . HG1# . . . . . 64 . HA . . rr_1nct 1 889 1 . . 1 1 63 63 VAL MG2 H . . . 1 1 72 72 PHE HA H . . . . . 4.0 1.5 4.15 . . . . . A . 48 VAL MG2 . . A . 57 PHE HA . . . 55 . HG2# . . . . . 64 . HA . . rr_1nct 1 890 1 . . 1 1 63 63 VAL MG2 H . . . 1 1 73 73 GLU H H . . . . . 4.3 1.8 4.45 . . . . . A . 48 VAL MG2 . . A . 58 GLU H . . . 55 . HG2# . . . . . 65 . HN . . rr_1nct 1 891 1 OR . 1 1 75 75 SER H H . . . 1 1 61 61 HIS HB3 H . . . . . 5.6 3.1 5.75 . . . . . A . 60 SER H . . A . 46 HIS HB3 . . . 67 . HN . . . . . 53 . HB# . . rr_1nct 1 891 2 OR . 1 1 61 61 HIS HB2 H . . . 1 1 75 75 SER H H . . . . . 5.6 3.1 5.75 . . . . . A . 46 HIS HB2 . . A . 60 SER H . . . 53 . HB# . . . . . 67 . HN . . rr_1nct 1 892 1 . . 1 1 75 75 SER H H . . . 1 1 77 77 VAL HB H . . . . . 4.7 2.2 4.85 . . . . . A . 60 SER H . . A . 62 VAL HB . . . 67 . HN . . . . . 69 . HB . . rr_1nct 1 893 1 . . 1 1 78 78 GLN HB3 H . . . 1 1 80 80 SER H H . . . . . 4.2 1.7 4.35 . . . . . A . 63 GLN HB3 . . A . 65 SER H . . . 70 . HB1 . . . . . 72 . HN . . rr_1nct 1 894 1 . . 1 1 78 78 GLN HB2 H . . . 1 1 80 80 SER H H . . . . . 4.4 1.9 4.55 . . . . . A . 63 GLN HB2 . . A . 65 SER H . . . 70 . HB2 . . . . . 72 . HN . . rr_1nct 1 895 1 OR . 1 1 80 80 SER H H . . . 1 1 60 60 ARG HD2 H . . . . . 5.5 3.0 5.65 . . . . . A . 65 SER H . . A . 45 ARG HD2 . . . 72 . HN . . . . . 52 . HD# . . rr_1nct 1 895 2 OR . 1 1 80 80 SER H H . . . 1 1 60 60 ARG HD3 H . . . . . 5.5 3.0 5.65 . . . . . A . 65 SER H . . A . 45 ARG HD3 . . . 72 . HN . . . . . 52 . HD# . . rr_1nct 1 896 1 OR . 1 1 81 81 ASP H H . . . 1 1 104 104 ILE HG12 H . . . . . 5.4 2.9 5.55 . . . . . A . 66 ASP H . . A . 89 ILE HG12 . . . 73 . HN . . . . . 96 . HG1# . . rr_1nct 1 896 2 OR . 1 1 81 81 ASP H H . . . 1 1 104 104 ILE HG13 H . . . . . 5.4 2.9 5.55 . . . . . A . 66 ASP H . . A . 89 ILE HG13 . . . 73 . HN . . . . . 96 . HG1# . . rr_1nct 1 897 1 . . 1 1 81 81 ASP H H . . . 1 1 104 104 ILE MD H . . . . . 4.8 2.3 4.95 . . . . . A . 66 ASP H . . A . 89 ILE MD . . . 73 . HN . . . . . 96 . HD1# . . rr_1nct 1 898 1 OR . 1 1 82 82 GLU H H . . . 1 1 104 104 ILE HG12 H . . . . . 4.7 2.2 4.85 . . . . . A . 67 GLU H . . A . 89 ILE HG12 . . . 74 . HN . . . . . 96 . HG1# . . rr_1nct 1 898 2 OR . 1 1 82 82 GLU H H . . . 1 1 104 104 ILE HG13 H . . . . . 4.7 2.2 4.85 . . . . . A . 67 GLU H . . A . 89 ILE HG13 . . . 74 . HN . . . . . 96 . HG1# . . rr_1nct 1 899 1 . . 1 1 82 82 GLU H H . . . 1 1 104 104 ILE MD H . . . . . 4.5 2.0 4.65 . . . . . A . 67 GLU H . . A . 89 ILE MD . . . 74 . HN . . . . . 96 . HD1# . . rr_1nct 1 900 1 . . 1 1 82 82 GLU HA H . . . 1 1 103 103 THR MG H . . . . . 4.5 2.0 4.65 . . . . . A . 67 GLU HA . . A . 88 THR MG . . . 74 . HA . . . . . 95 . HG2# . . rr_1nct 1 901 1 OR . 1 1 83 83 GLY H H . . . 1 1 104 104 ILE HG12 H . . . . . 6.4 3.9 6.55 . . . . . A . 68 GLY H . . A . 89 ILE HG12 . . . 75 . HN . . . . . 96 . HG1# . . rr_1nct 1 901 2 OR . 1 1 83 83 GLY H H . . . 1 1 104 104 ILE HG13 H . . . . . 6.4 3.9 6.55 . . . . . A . 68 GLY H . . A . 89 ILE HG13 . . . 75 . HN . . . . . 96 . HG1# . . rr_1nct 1 902 1 . . 1 1 104 104 ILE MD H . . . 1 1 83 83 GLY H H . . . . . 5.5 3.0 5.65 . . . . . A . 89 ILE MD . . A . 68 GLY H . . . 96 . HD1# . . . . . 75 . HN . . rr_1nct 1 903 1 . . 1 1 83 83 GLY H H . . . 1 1 103 103 THR MG H . . . . . 4.0 1.5 4.15 . . . . . A . 68 GLY H . . A . 88 THR MG . . . 75 . HN . . . . . 95 . HG2# . . rr_1nct 1 904 1 OR . 1 1 103 103 THR MG H . . . 1 1 83 83 GLY HA3 H . . . . . 4.9 2.4 5.05 . . . . . A . 88 THR MG . . A . 68 GLY HA3 . . . 95 . HG2# . . . . . 75 . HA# . . rr_1nct 1 904 2 OR . 1 1 103 103 THR MG H . . . 1 1 83 83 GLY HA2 H . . . . . 4.9 2.4 5.05 . . . . . A . 88 THR MG . . A . 68 GLY HA2 . . . 95 . HG2# . . . . . 75 . HA# . . rr_1nct 1 905 1 . . 1 1 84 84 ASN H H . . . 1 1 101 101 THR MG H . . . . . 5.0 2.5 5.15 . . . . . A . 69 ASN H . . A . 86 THR MG . . . 76 . HN . . . . . 93 . HG2# . . rr_1nct 1 906 1 . . 1 1 84 84 ASN HA H . . . 1 1 101 101 THR MG H . . . . . 4.0 1.5 4.15 . . . . . A . 69 ASN HA . . A . 86 THR MG . . . 76 . HA . . . . . 93 . HG2# . . rr_1nct 1 907 1 . . 1 1 84 84 ASN H H . . . 1 1 101 101 THR HB H . . . . . 3.6 1.1 3.75 . . . . . A . 69 ASN H . . A . 86 THR HB . . . 76 . HN . . . . . 93 . HB . . rr_1nct 1 908 1 . . 1 1 85 85 TYR H H . . . 1 1 101 101 THR MG H . . . . . 5.4 2.9 5.55 . . . . . A . 70 TYR H . . A . 86 THR MG . . . 77 . HN . . . . . 93 . HG2# . . rr_1nct 1 909 1 . . 1 1 85 85 TYR H H . . . 1 1 102 102 LEU MD2 H . . . . . 5.2 2.7 5.35 . . . . . A . 70 TYR H . . A . 87 LEU MD2 . . . 77 . HN . . . . . 94 . HD2# . . rr_1nct 1 910 1 . . 1 1 55 55 LEU MD2 H . . . 1 1 85 85 TYR H H . . . . . 6.5 4.0 6.65 . . . . . A . 40 LEU MD2 . . A . 70 TYR H . . . 47 . HD2# . . . . . 77 . HN . . rr_1nct 1 911 1 OR . 1 1 86 86 SER H H . . . 1 1 50 50 ARG HB2 H . . . . . 4.5 2.0 4.65 . . . . . A . 71 SER H . . A . 35 ARG HB2 . . . 78 . HN . . . . . 42 . HB# . . rr_1nct 1 911 2 OR . 1 1 86 86 SER H H . . . 1 1 50 50 ARG HB3 H . . . . . 4.5 2.0 4.65 . . . . . A . 71 SER H . . A . 35 ARG HB3 . . . 78 . HN . . . . . 42 . HB# . . rr_1nct 1 912 1 . . 1 1 55 55 LEU MD2 H . . . 1 1 86 86 SER H H . . . . . 5.1 2.6 5.25 . . . . . A . 40 LEU MD2 . . A . 71 SER H . . . 47 . HD2# . . . . . 78 . HN . . rr_1nct 1 913 1 . . 1 1 55 55 LEU MD1 H . . . 1 1 86 86 SER H H . . . . . 5.2 2.7 5.35 . . . . . A . 40 LEU MD1 . . A . 71 SER H . . . 47 . HD1# . . . . . 78 . HN . . rr_1nct 1 914 1 . . 1 1 86 86 SER HA H . . . 1 1 87 87 VAL MG1 H . . . . . 4.8 2.3 4.95 . . . . . A . 71 SER HA . . A . 72 VAL MG1 . . . 78 . HA . . . . . 79 . HG1# . . rr_1nct 1 915 1 OR . 1 1 87 87 VAL H H . . . 1 1 99 99 GLU HG2 H . . . . . 5.3 2.8 5.45 . . . . . A . 72 VAL H . . A . 84 GLU HG2 . . . 79 . HN . . . . . 91 . HG# . . rr_1nct 1 915 2 OR . 1 1 87 87 VAL H H . . . 1 1 99 99 GLU HG3 H . . . . . 5.3 2.8 5.45 . . . . . A . 72 VAL H . . A . 84 GLU HG3 . . . 79 . HN . . . . . 91 . HG# . . rr_1nct 1 916 1 . . 1 1 87 87 VAL H H . . . 1 1 98 98 ALA MB H . . . . . 4.9 2.4 5.05 . . . . . A . 72 VAL H . . A . 83 ALA MB . . . 79 . HN . . . . . 90 . HB# . . rr_1nct 1 917 1 . . 1 1 49 49 LEU MD2 H . . . 1 1 87 87 VAL HA H . . . . . 4.2 1.7 4.35 . . . . . A . 34 LEU MD2 . . A . 72 VAL HA . . . 41 . HD2# . . . . . 79 . HA . . rr_1nct 1 918 1 . . 1 1 47 47 THR HB H . . . 1 1 88 88 VAL H H . . . . . 3.6 1.1 3.75 . . . . . A . 32 THR HB . . A . 73 VAL H . . . 39 . HB . . . . . 80 . HN . . rr_1nct 1 919 1 . . 1 1 46 46 VAL MG2 H . . . 1 1 89 89 VAL HA H . . . . . 4.2 1.7 4.35 . . . . . A . 31 VAL MG2 . . A . 74 VAL HA . . . 38 . HG2# . . . . . 81 . HA . . rr_1nct 1 920 1 . . 1 1 87 87 VAL MG2 H . . . 1 1 89 89 VAL HA H . . . . . 5.0 2.5 5.15 . . . . . A . 72 VAL MG2 . . A . 74 VAL HA . . . 79 . HG2# . . . . . 81 . HA . . rr_1nct 1 921 1 . . 1 1 45 45 THR MG H . . . 1 1 90 90 GLU H H . . . . . 5.0 2.5 5.15 . . . . . A . 30 THR MG . . A . 75 GLU H . . . 37 . HG2# . . . . . 82 . HN . . rr_1nct 1 922 1 . . 1 1 15 15 ALA MB H . . . 1 1 90 90 GLU HA H . . . . . 4.6 2.1 4.75 . . . . . . . . . . . . A . 75 GLU HA . . . 7 . HB# . . . . . 82 . HA . . rr_1nct 1 923 1 OR . 1 1 91 91 ASN H H . . . 1 1 95 95 LYS HG2 H . . . . . 5.6 3.1 5.75 . . . . . A . 76 ASN H . . A . 80 LYS HG2 . . . 83 . HN . . . . . 87 . HG# . . rr_1nct 1 923 2 OR . 1 1 91 91 ASN H H . . . 1 1 95 95 LYS HG3 H . . . . . 5.6 3.1 5.75 . . . . . A . 76 ASN H . . A . 80 LYS HG3 . . . 83 . HN . . . . . 87 . HG# . . rr_1nct 1 924 1 . . 1 1 15 15 ALA MB H . . . 1 1 91 91 ASN H H . . . . . 4.4 1.9 4.55 . . . . . . . . . . . . A . 76 ASN H . . . 7 . HB# . . . . . 83 . HN . . rr_1nct 1 925 1 . . 1 1 15 15 ALA MB H . . . 1 1 93 93 GLU H H . . . . . 6.0 3.5 6.15 . . . . . . . . . . . . A . 78 GLU H . . . 7 . HB# . . . . . 85 . HN . . rr_1nct 1 926 1 . . 1 1 14 14 ALA MB H . . . 1 1 93 93 GLU H H . . . . . 6.2 3.7 6.35 . . . . . . . . . . . . A . 78 GLU H . . . 6 . HB# . . . . . 85 . HN . . rr_1nct 1 927 1 . . 1 1 91 91 ASN HB3 H . . . 1 1 93 93 GLU H H . . . . . 3.7 1.2 3.85 . . . . . A . 76 ASN HB3 . . A . 78 GLU H . . . 83 . HB1 . . . . . 85 . HN . . rr_1nct 1 928 1 . . 1 1 15 15 ALA MB H . . . 1 1 94 94 GLY H H . . . . . 4.3 1.8 4.45 . . . . . . . . . . . . A . 79 GLY H . . . 7 . HB# . . . . . 86 . HN . . rr_1nct 1 929 1 . . 1 1 14 14 ALA MB H . . . 1 1 94 94 GLY H H . . . . . 5.0 2.5 5.15 . . . . . . . . . . . . A . 79 GLY H . . . 6 . HB# . . . . . 86 . HN . . rr_1nct 1 930 1 OR . 1 1 95 95 LYS HA H . . . 1 1 90 90 GLU HG2 H . . . . . 4.0 1.5 4.15 . . . . . A . 80 LYS HA . . A . 75 GLU HG2 . . . 87 . HA . . . . . 82 . HG# . . rr_1nct 1 930 2 OR . 1 1 90 90 GLU HG3 H . . . 1 1 95 95 LYS HA H . . . . . 4.0 1.5 4.15 . . . . . A . 75 GLU HG3 . . A . 80 LYS HA . . . 82 . HG# . . . . . 87 . HA . . rr_1nct 1 931 1 . . 1 1 15 15 ALA MB H . . . 1 1 95 95 LYS HA H . . . . . 4.6 2.1 4.75 . . . . . . . . . . . . A . 80 LYS HA . . . 7 . HB# . . . . . 87 . HA . . rr_1nct 1 932 1 OR . 1 1 96 96 GLN HA H . . . 1 1 17 17 ILE HG12 H . . . . . 5.6 3.1 5.75 . . . . . A . 81 GLN HA . . A . 2 ILE HG12 . . . 88 . HA . . . . . 9 . HG1# . . rr_1nct 1 932 2 OR . 1 1 96 96 GLN HA H . . . 1 1 17 17 ILE HG13 H . . . . . 5.6 3.1 5.75 . . . . . A . 81 GLN HA . . A . 2 ILE HG13 . . . 88 . HA . . . . . 9 . HG1# . . rr_1nct 1 933 1 . . 1 1 97 97 GLU H H . . . 1 1 17 17 ILE MD H . . . . . 4.6 2.1 4.75 . . . . . A . 82 GLU H . . A . 2 ILE MD . . . 89 . HN . . . . . 9 . HD1# . . rr_1nct 1 934 1 . . 1 1 97 97 GLU HA H . . . 1 1 89 89 VAL HB H . . . . . 3.6 1.1 3.75 . . . . . A . 82 GLU HA . . A . 74 VAL HB . . . 89 . HA . . . . . 81 . HB . . rr_1nct 1 935 1 OR . 1 1 97 97 GLU HA H . . . 1 1 89 89 VAL MG2 H . . . . . 4.8 2.3 4.95 . . . . . A . 82 GLU HA . . A . 74 VAL MG2 . . . 89 . HA . . . . . 81 . HG# . . rr_1nct 1 935 2 OR . 1 1 97 97 GLU HA H . . . 1 1 89 89 VAL MG1 H . . . . . 4.8 2.3 4.95 . . . . . A . 82 GLU HA . . A . 74 VAL MG1 . . . 89 . HA . . . . . 81 . HG# . . rr_1nct 1 936 1 . . 1 1 97 97 GLU HA H . . . 1 1 17 17 ILE MD H . . . . . 3.8 1.3 3.95 . . . . . A . 82 GLU HA . . A . 2 ILE MD . . . 89 . HA . . . . . 9 . HD1# . . rr_1nct 1 937 1 . . 1 1 87 87 VAL MG1 H . . . 1 1 97 97 GLU HA H . . . . . 4.1 1.6 4.25 . . . . . A . 72 VAL MG1 . . A . 82 GLU HA . . . 79 . HG1# . . . . . 89 . HA . . rr_1nct 1 938 1 . . 1 1 98 98 ALA H H . . . 1 1 87 87 VAL HB H . . . . . 4.8 2.3 4.95 . . . . . A . 83 ALA H . . A . 72 VAL HB . . . 90 . HN . . . . . 79 . HB . . rr_1nct 1 939 1 . . 1 1 87 87 VAL MG1 H . . . 1 1 98 98 ALA H H . . . . . 4.6 2.1 4.75 . . . . . A . 72 VAL MG1 . . A . 83 ALA H . . . 79 . HG1# . . . . . 90 . HN . . rr_1nct 1 940 1 . . 1 1 87 87 VAL MG2 H . . . 1 1 98 98 ALA H H . . . . . 4.9 2.4 5.05 . . . . . A . 72 VAL MG2 . . A . 83 ALA H . . . 79 . HG2# . . . . . 90 . HN . . rr_1nct 1 941 1 . . 1 1 98 98 ALA HA H . . . 1 1 17 17 ILE MG H . . . . . 5.8 3.3 5.95 . . . . . A . 83 ALA HA . . A . 2 ILE MG . . . 90 . HA . . . . . 9 . HG2# . . rr_1nct 1 942 1 . . 1 1 98 98 ALA HA H . . . 1 1 17 17 ILE MD H . . . . . 4.8 2.3 4.95 . . . . . A . 83 ALA HA . . A . 2 ILE MD . . . 90 . HA . . . . . 9 . HD1# . . rr_1nct 1 943 1 . . 1 1 98 98 ALA H H . . . 1 1 86 86 SER HB2 H . . . . . 4.2 1.7 4.35 . . . . . A . 83 ALA H . . A . 71 SER HB2 . . . 90 . HN . . . . . 78 . HB2 . . rr_1nct 1 944 1 . . 1 1 99 99 GLU HA H . . . 1 1 86 86 SER HB2 H . . . . . 3.6 1.1 3.75 . . . . . A . 84 GLU HA . . A . 71 SER HB2 . . . 91 . HA . . . . . 78 . HB2 . . rr_1nct 1 945 1 . . 1 1 99 99 GLU HA H . . . 1 1 86 86 SER HB3 H . . . . . 3.2 0.7 3.35 . . . . . A . 84 GLU HA . . A . 71 SER HB3 . . . 91 . HA . . . . . 78 . HB1 . . rr_1nct 1 946 1 OR . 1 1 100 100 PHE H H . . . 1 1 86 86 SER HB3 H . . . . . 4.4 1.9 4.55 . . . . . A . 85 PHE H . . A . 71 SER HB3 . . . 92 . HN . . . . . 78 . HB# . . rr_1nct 1 946 2 OR . 1 1 100 100 PHE H H . . . 1 1 86 86 SER HB2 H . . . . . 4.4 1.9 4.55 . . . . . A . 85 PHE H . . A . 71 SER HB2 . . . 92 . HN . . . . . 78 . HB# . . rr_1nct 1 947 1 . . 1 1 23 23 SER HB3 H . . . 1 1 100 100 PHE HA H . . . . . 3.8 1.3 3.95 . . . . . A . 8 SER HB3 . . A . 85 PHE HA . . . 15 . HB1 . . . . . 92 . HA . . rr_1nct 1 948 1 . . 1 1 23 23 SER HB3 H . . . 1 1 101 101 THR H H . . . . . 3.9 1.4 4.05 . . . . . A . 8 SER HB3 . . A . 86 THR H . . . 15 . HB1 . . . . . 93 . HN . . rr_1nct 1 949 1 . . 1 1 23 23 SER HB2 H . . . 1 1 101 101 THR H H . . . . . 3.7 1.2 3.85 . . . . . A . 8 SER HB2 . . A . 86 THR H . . . 15 . HB2 . . . . . 93 . HN . . rr_1nct 1 950 1 OR . 1 1 103 103 THR HA H . . . 1 1 82 82 GLU HB2 H . . . . . 5.4 2.9 5.55 . . . . . A . 88 THR HA . . A . 67 GLU HB2 . . . 95 . HA . . . . . 74 . HB# . . rr_1nct 1 950 2 OR . 1 1 82 82 GLU HB3 H . . . 1 1 103 103 THR HA H . . . . . 5.4 2.9 5.55 . . . . . A . 67 GLU HB3 . . A . 88 THR HA . . . 74 . HB# . . . . . 95 . HA . . rr_1nct 1 951 1 . . 1 1 39 39 ASP HB3 H . . . 1 1 16 16 ARG HE H . . . . . 3.8 1.3 3.95 . . . . . A . 24 ASP HB3 . . A . 1 ARG HE . . . 31 . HB1 . . . . . 8 . HE . . rr_1nct 1 952 1 . . 1 1 39 39 ASP HB2 H . . . 1 1 16 16 ARG HE H . . . . . 4.2 1.7 4.35 . . . . . A . 24 ASP HB2 . . A . 1 ARG HE . . . 31 . HB2 . . . . . 8 . HE . . rr_1nct 1 953 1 . . 1 1 13 13 LEU MD2 H . . . 1 1 16 16 ARG HE H . . . . . 4.4 1.9 4.55 . . . . . . . . . . . . A . 1 ARG HE . . . 5 . HD2# . . . . . 8 . HE . . rr_1nct 1 954 1 . . 1 1 13 13 LEU MD1 H . . . 1 1 16 16 ARG HE H . . . . . 5.4 2.9 5.55 . . . . . . . . . . . . A . 1 ARG HE . . . 5 . HD1# . . . . . 8 . HE . . rr_1nct 1 955 1 . . 1 1 15 15 ALA H H . . . 1 1 16 16 ARG HE H . . . . . 6.6 4.1 6.75 . . . . . . . . . . . . A . 1 ARG HE . . . 7 . HN . . . . . 8 . HE . . rr_1nct 1 956 1 OR . 1 1 36 36 CYS HG H . . . 1 1 21 21 PRO HD2 H . . . . . 5.0 2.5 5.15 . . . . . A . 21 CYS HG . . A . 6 PRO HD2 . . . 28 . HG . . . . . 13 . HD# . . rr_1nct 1 956 2 OR . 1 1 21 21 PRO HD3 H . . . 1 1 36 36 CYS HG H . . . . . 5.0 2.5 5.15 . . . . . A . 6 PRO HD3 . . A . 21 CYS HG . . . 13 . HD# . . . . . 28 . HG . . rr_1nct 1 957 1 . . 1 1 87 87 VAL MG2 H . . . 1 1 36 36 CYS HG H . . . . . 4.4 1.9 4.55 . . . . . A . 72 VAL MG2 . . A . 21 CYS HG . . . 79 . HG2# . . . . . 28 . HG . . rr_1nct 1 958 1 . . 1 1 36 36 CYS HG H . . . 1 1 48 48 TRP HZ2 H . . . . . 4.1 1.6 4.25 . . . . . A . 21 CYS HG . . A . 33 TRP HZ2 . . . 28 . HG . . . . . 40 . HZ2 . . rr_1nct 1 959 1 . . 1 1 41 41 GLU H H . . . 1 1 91 91 ASN HD22 H . . . . . 4.3 1.8 4.45 . . . . . A . 26 GLU H . . A . 76 ASN HD22 . . . 33 . HN . . . . . 83 . HD22 . . rr_1nct 1 960 1 . . 1 1 84 84 ASN HB2 H . . . 1 1 50 50 ARG HE H . . . . . 4.5 2.0 4.65 . . . . . A . 69 ASN HB2 . . A . 35 ARG HE . . . 76 . HB2 . . . . . 42 . HE . . rr_1nct 1 961 1 . . 1 1 84 84 ASN HB3 H . . . 1 1 50 50 ARG HE H . . . . . 4.0 1.5 4.15 . . . . . A . 69 ASN HB3 . . A . 35 ARG HE . . . 76 . HB1 . . . . . 42 . HE . . rr_1nct 1 962 1 . . 1 1 70 70 SER HG H . . . 1 1 65 65 THR MG H . . . . . 4.6 2.1 4.75 . . . . . A . 55 SER HG . . A . 50 THR MG . . . 62 . HG . . . . . 57 . HG2# . . rr_1nct 1 963 1 . . 1 1 65 65 THR HA H . . . 1 1 70 70 SER HG H . . . . . 3.1 0.6 3.25 . . . . . A . 50 THR HA . . A . 55 SER HG . . . 57 . HA . . . . . 62 . HG . . rr_1nct 1 964 1 . . 1 1 71 71 THR H H . . . 1 1 70 70 SER HG H . . . . . 4.0 1.5 4.15 . . . . . A . 56 THR H . . A . 55 SER HG . . . 63 . HN . . . . . 62 . HG . . rr_1nct 1 965 1 . . 1 1 46 46 VAL MG1 H . . . 1 1 70 70 SER HG H . . . . . 5.0 2.5 5.15 . . . . . A . 31 VAL MG1 . . A . 55 SER HG . . . 38 . HG1# . . . . . 62 . HG . . rr_1nct 1 966 1 . . 1 1 46 46 VAL MG2 H . . . 1 1 70 70 SER HG H . . . . . 3.5 1.0 3.65 . . . . . A . 31 VAL MG2 . . A . 55 SER HG . . . 38 . HG2# . . . . . 62 . HG . . rr_1nct 1 967 1 . . 1 1 70 70 SER HG H . . . 1 1 64 64 THR MG H . . . . . 5.0 2.5 5.15 . . . . . A . 55 SER HG . . A . 49 THR MG . . . 62 . HG . . . . . 56 . HG2# . . rr_1nct 1 968 1 . . 1 1 70 70 SER HG H . . . 1 1 48 48 TRP HE1 H . . . . . 2.6 0.1 2.75 . . . . . A . 55 SER HG . . A . 33 TRP HE1 . . . 62 . HG . . . . . 40 . HE1 . . rr_1nct 1 969 1 . . 1 1 81 81 ASP HA H . . . 1 1 85 85 TYR HH H . . . . . 2.9 0.4 3.05 . . . . . A . 66 ASP HA . . A . 70 TYR HH . . . 73 . HA . . . . . 77 . HH . . rr_1nct 1 970 1 . . 1 1 81 81 ASP HB2 H . . . 1 1 85 85 TYR HH H . . . . . 3.3 0.8 3.45 . . . . . A . 66 ASP HB2 . . A . 70 TYR HH . . . 73 . HB2 . . . . . 77 . HH . . rr_1nct 1 971 1 . . 1 1 81 81 ASP HB3 H . . . 1 1 85 85 TYR HH H . . . . . 3.2 0.7 3.35 . . . . . A . 66 ASP HB3 . . A . 70 TYR HH . . . 73 . HB1 . . . . . 77 . HH . . rr_1nct 1 972 1 . . 1 1 81 81 ASP H H . . . 1 1 85 85 TYR HH H . . . . . 4.5 2.0 4.65 . . . . . A . 66 ASP H . . A . 70 TYR HH . . . 73 . HN . . . . . 77 . HH . . rr_1nct 1 973 1 OR . 1 1 85 85 TYR HH H . . . 1 1 104 104 ILE HG12 H . . . . . 7.0 4.5 7.15 . . . . . A . 70 TYR HH . . A . 89 ILE HG12 . . . 77 . HH . . . . . 96 . HG1# . . rr_1nct 1 973 2 OR . 1 1 104 104 ILE HG13 H . . . 1 1 85 85 TYR HH H . . . . . 7.0 4.5 7.15 . . . . . A . 89 ILE HG13 . . A . 70 TYR HH . . . 96 . HG1# . . . . . 77 . HH . . rr_1nct 1 974 1 . . 1 1 104 104 ILE MD H . . . 1 1 85 85 TYR HH H . . . . . 6.7 4.2 6.85 . . . . . A . 89 ILE MD . . A . 70 TYR HH . . . 96 . HD1# . . . . . 77 . HH . . rr_1nct 1 975 1 . . 1 1 54 54 VAL MG1 H . . . 1 1 53 53 GLN HE21 H . . . . . 5.6 3.1 5.75 . . . . . A . 39 VAL MG1 . . A . 38 GLN HE21 . . . 46 . HG1# . . . . . 45 . HE21 . . rr_1nct 1 976 1 . . 1 1 54 54 VAL MG2 H . . . 1 1 53 53 GLN HE22 H . . . . . 5.0 2.5 5.15 . . . . . A . 39 VAL MG2 . . A . 38 GLN HE22 . . . 46 . HG2# . . . . . 45 . HE22 . . rr_1nct 1 977 1 . . 1 1 64 64 THR MG H . . . 1 1 62 62 GLN HE21 H . . . . . 4.8 2.3 4.95 . . . . . A . 49 THR MG . . A . 47 GLN HE21 . . . 56 . HG2# . . . . . 54 . HE21 . . rr_1nct 1 978 1 . . 1 1 57 57 THR MG H . . . 1 1 62 62 GLN HE21 H . . . . . 4.9 2.4 5.05 . . . . . A . 42 THR MG . . A . 47 GLN HE21 . . . 49 . HG2# . . . . . 54 . HE21 . . rr_1nct 1 979 1 . . 1 1 57 57 THR MG H . . . 1 1 62 62 GLN HE22 H . . . . . 5.1 2.6 5.25 . . . . . A . 42 THR MG . . A . 47 GLN HE22 . . . 49 . HG2# . . . . . 54 . HE22 . . rr_1nct 1 980 1 . . 1 1 84 84 ASN HD21 H . . . 1 1 101 101 THR MG H . . . . . 5.3 2.8 5.45 . . . . . A . 69 ASN HD21 . . A . 86 THR MG . . . 76 . HD21 . . . . . 93 . HG2# . . rr_1nct 1 981 1 . . 1 1 84 84 ASN HD22 H . . . 1 1 101 101 THR MG H . . . . . 5.4 2.9 5.55 . . . . . A . 69 ASN HD22 . . A . 86 THR MG . . . 76 . HD22 . . . . . 93 . HG2# . . rr_1nct 1 982 1 . . 1 1 96 96 GLN HE21 H . . . 1 1 17 17 ILE MD H . . . . . 5.0 2.5 5.15 . . . . . A . 81 GLN HE21 . . A . 2 ILE MD . . . 88 . HE21 . . . . . 9 . HD1# . . rr_1nct 1 983 1 OR . 1 1 96 96 GLN HE21 H . . . 1 1 16 16 ARG HD2 H . . . . . 6.6 4.1 6.75 . . . . . A . 81 GLN HE21 . . A . 1 ARG HD2 . . . 88 . HE21 . . . . . 8 . HD# . . rr_1nct 1 983 2 OR . 1 1 96 96 GLN HE21 H . . . 1 1 16 16 ARG HD3 H . . . . . 6.6 4.1 6.75 . . . . . A . 81 GLN HE21 . . A . 1 ARG HD3 . . . 88 . HE21 . . . . . 8 . HD# . . rr_1nct 1 984 1 . . 1 1 96 96 GLN HE21 H . . . 1 1 17 17 ILE HB H . . . . . 4.2 1.7 4.35 . . . . . A . 81 GLN HE21 . . A . 2 ILE HB . . . 88 . HE21 . . . . . 9 . HB . . rr_1nct 1 985 1 . . 1 1 96 96 GLN HE22 H . . . 1 1 17 17 ILE MD H . . . . . 5.5 3.0 5.65 . . . . . A . 81 GLN HE22 . . A . 2 ILE MD . . . 88 . HE22 . . . . . 9 . HD1# . . rr_1nct 1 986 1 . . 1 1 96 96 GLN HE22 H . . . 1 1 17 17 ILE HB H . . . . . 3.9 1.4 4.05 . . . . . A . 81 GLN HE22 . . A . 2 ILE HB . . . 88 . HE22 . . . . . 9 . HB . . rr_1nct 1 987 1 OR . 1 1 96 96 GLN HE22 H . . . 1 1 16 16 ARG HD2 H . . . . . 5.5 3.0 5.65 . . . . . A . 81 GLN HE22 . . A . 1 ARG HD2 . . . 88 . HE22 . . . . . 8 . HD# . . rr_1nct 1 987 2 OR . 1 1 96 96 GLN HE22 H . . . 1 1 16 16 ARG HD3 H . . . . . 5.5 3.0 5.65 . . . . . A . 81 GLN HE22 . . A . 1 ARG HD3 . . . 88 . HE22 . . . . . 8 . HD# . . rr_1nct 1 988 1 . . 1 1 98 98 ALA MB H . . . 1 1 17 17 ILE MD H . . . . . 5.5 3.0 5.65 . . . . . A . 83 ALA MB . . A . 2 ILE MD . . . 90 . HB# . . . . . 9 . HD1# . . rr_1nct 1 989 1 . . 1 1 98 98 ALA MB H . . . 1 1 17 17 ILE MG H . . . . . 6.0 3.5 6.15 . . . . . A . 83 ALA MB . . A . 2 ILE MG . . . 90 . HB# . . . . . 9 . HG2# . . rr_1nct 1 990 1 OR . 1 1 21 21 PRO HD3 H . . . 1 1 36 36 CYS HB2 H . . . . . 4.4 1.9 4.55 . . . . . A . 6 PRO HD3 . . A . 21 CYS HB2 . . . 13 . HD# . . . . . 28 . HB2 . . rr_1nct 1 990 2 OR . 1 1 36 36 CYS HB2 H . . . 1 1 21 21 PRO HD2 H . . . . . 4.4 1.9 4.55 . . . . . A . 21 CYS HB2 . . A . 6 PRO HD2 . . . 28 . HB2 . . . . . 13 . HD# . . rr_1nct 1 991 1 OR . 1 1 21 21 PRO HD3 H . . . 1 1 36 36 CYS HB3 H . . . . . 4.8 2.3 4.95 . . . . . A . 6 PRO HD3 . . A . 21 CYS HB3 . . . 13 . HD# . . . . . 28 . HB1 . . rr_1nct 1 991 2 OR . 1 1 21 21 PRO HD2 H . . . 1 1 36 36 CYS HB3 H . . . . . 4.8 2.3 4.95 . . . . . A . 6 PRO HD2 . . A . 21 CYS HB3 . . . 13 . HD# . . . . . 28 . HB1 . . rr_1nct 1 992 1 OR . 1 1 36 36 CYS HG H . . . 1 1 21 21 PRO HD2 H . . . . . 5.0 2.5 5.15 . . . . . A . 21 CYS HG . . A . 6 PRO HD2 . . . 28 . HG . . . . . 13 . HD# . . rr_1nct 1 992 2 OR . 1 1 21 21 PRO HD3 H . . . 1 1 36 36 CYS HG H . . . . . 5.0 2.5 5.15 . . . . . A . 6 PRO HD3 . . A . 21 CYS HG . . . 13 . HD# . . . . . 28 . HG . . rr_1nct 1 993 1 OR . 1 1 87 87 VAL MG2 H . . . 1 1 21 21 PRO HD2 H . . . . . 5.7 3.2 5.85 . . . . . A . 72 VAL MG2 . . A . 6 PRO HD2 . . . 79 . HG2# . . . . . 13 . HD# . . rr_1nct 1 993 2 OR . 1 1 21 21 PRO HD3 H . . . 1 1 87 87 VAL MG2 H . . . . . 5.7 3.2 5.85 . . . . . A . 6 PRO HD3 . . A . 72 VAL MG2 . . . 13 . HD# . . . . . 79 . HG2# . . rr_1nct 1 994 1 OR . 1 1 87 87 VAL MG1 H . . . 1 1 21 21 PRO HD2 H . . . . . 4.5 2.0 4.65 . . . . . A . 72 VAL MG1 . . A . 6 PRO HD2 . . . 79 . HG1# . . . . . 13 . HD# . . rr_1nct 1 994 2 OR . 1 1 21 21 PRO HD3 H . . . 1 1 87 87 VAL MG1 H . . . . . 4.5 2.0 4.65 . . . . . A . 6 PRO HD3 . . A . 72 VAL MG1 . . . 13 . HD# . . . . . 79 . HG1# . . rr_1nct 1 995 1 OR . 1 1 98 98 ALA MB H . . . 1 1 21 21 PRO HD2 H . . . . . 4.8 2.3 4.95 . . . . . A . 83 ALA MB . . A . 6 PRO HD2 . . . 90 . HB# . . . . . 13 . HD# . . rr_1nct 1 995 2 OR . 1 1 21 21 PRO HD3 H . . . 1 1 98 98 ALA MB H . . . . . 4.8 2.3 4.95 . . . . . A . 6 PRO HD3 . . A . 83 ALA MB . . . 13 . HD# . . . . . 90 . HB# . . rr_1nct 1 996 1 OR . 1 1 26 26 VAL MG1 H . . . 1 1 24 24 MET HB3 H . . . . . 5.6 3.1 5.75 . . . . . A . 11 VAL MG1 . . A . 9 MET HB3 . . . 18 . HG1# . . . . . 16 . HB# . . rr_1nct 1 996 2 OR . 1 1 26 26 VAL MG1 H . . . 1 1 24 24 MET HB2 H . . . . . 5.6 3.1 5.75 . . . . . A . 11 VAL MG1 . . A . 9 MET HB2 . . . 18 . HG1# . . . . . 16 . HB# . . rr_1nct 1 997 1 OR . 1 1 26 26 VAL MG2 H . . . 1 1 24 24 MET HB3 H . . . . . 6.6 4.1 6.75 . . . . . A . 11 VAL MG2 . . A . 9 MET HB3 . . . 18 . HG2# . . . . . 16 . HB# . . rr_1nct 1 997 2 OR . 1 1 26 26 VAL MG2 H . . . 1 1 24 24 MET HB2 H . . . . . 6.6 4.1 6.75 . . . . . A . 11 VAL MG2 . . A . 9 MET HB2 . . . 18 . HG2# . . . . . 16 . HB# . . rr_1nct 1 998 1 OR . 1 1 27 27 TYR HB2 H . . . 1 1 105 105 GLN HB3 H . . . . . 6.8 4.3 6.95 . . . . . A . 12 TYR HB2 . . A . 90 GLN HB3 . . . 19 . HB2 . . . . . 97 . HB# . . rr_1nct 1 998 2 OR . 1 1 27 27 TYR HB2 H . . . 1 1 105 105 GLN HB2 H . . . . . 6.8 4.3 6.95 . . . . . A . 12 TYR HB2 . . A . 90 GLN HB2 . . . 19 . HB2 . . . . . 97 . HB# . . rr_1nct 1 999 1 OR . 1 1 27 27 TYR HB2 H . . . 1 1 30 30 GLU HG2 H . . . . . 4.8 2.3 4.95 . . . . . A . 12 TYR HB2 . . A . 15 GLU HG2 . . . 19 . HB2 . . . . . 22 . HG# . . rr_1nct 1 999 2 OR . 1 1 27 27 TYR HB2 H . . . 1 1 30 30 GLU HG3 H . . . . . 4.8 2.3 4.95 . . . . . A . 12 TYR HB2 . . A . 15 GLU HG3 . . . 19 . HB2 . . . . . 22 . HG# . . rr_1nct 1 1000 1 OR . 1 1 27 27 TYR HB3 H . . . 1 1 30 30 GLU HG2 H . . . . . 5.0 2.5 5.15 . . . . . A . 12 TYR HB3 . . A . 15 GLU HG2 . . . 19 . HB1 . . . . . 22 . HG# . . rr_1nct 1 1000 2 OR . 1 1 27 27 TYR HB3 H . . . 1 1 30 30 GLU HG3 H . . . . . 5.0 2.5 5.15 . . . . . A . 12 TYR HB3 . . A . 15 GLU HG3 . . . 19 . HB1 . . . . . 22 . HG# . . rr_1nct 1 1001 1 . . 1 1 87 87 VAL MG2 H . . . 1 1 36 36 CYS HB2 H . . . . . 5.5 3.0 5.65 . . . . . A . 72 VAL MG2 . . A . 21 CYS HB2 . . . 79 . HG2# . . . . . 28 . HB2 . . rr_1nct 1 1002 1 . . 1 1 87 87 VAL MG2 H . . . 1 1 36 36 CYS HB3 H . . . . . 6.0 3.5 6.15 . . . . . A . 72 VAL MG2 . . A . 21 CYS HB3 . . . 79 . HG2# . . . . . 28 . HB1 . . rr_1nct 1 1003 1 . . 1 1 87 87 VAL MG2 H . . . 1 1 36 36 CYS HG H . . . . . 4.4 1.9 4.55 . . . . . A . 72 VAL MG2 . . A . 21 CYS HG . . . 79 . HG2# . . . . . 28 . HG . . rr_1nct 1 1004 1 . . 1 1 19 19 THR HB H . . . 1 1 37 37 ASP HB2 H . . . . . 3.4 0.9 3.55 . . . . . A . 4 THR HB . . A . 22 ASP HB2 . . . 11 . HB . . . . . 29 . HB2 . . rr_1nct 1 1005 1 . . 1 1 19 19 THR HB H . . . 1 1 37 37 ASP HB3 H . . . . . 4.0 1.5 4.15 . . . . . A . 4 THR HB . . A . 22 ASP HB3 . . . 11 . HB . . . . . 29 . HB1 . . rr_1nct 1 1006 1 . . 1 1 37 37 ASP HB2 H . . . 1 1 68 68 TYR HB2 H . . . . . 6.7 4.2 6.85 . . . . . A . 22 ASP HB2 . . A . 53 TYR HB2 . . . 29 . HB2 . . . . . 60 . HB2 . . rr_1nct 1 1007 1 . . 1 1 68 68 TYR HB2 H . . . 1 1 37 37 ASP HB3 H . . . . . 5.7 3.2 5.85 . . . . . A . 53 TYR HB2 . . A . 22 ASP HB3 . . . 60 . HB2 . . . . . 29 . HB1 . . rr_1nct 1 1008 1 . . 1 1 38 38 THR MG H . . . 1 1 46 46 VAL MG2 H . . . . . 4.9 2.4 5.05 . . . . . A . 23 THR MG . . A . 31 VAL MG2 . . . 30 . HG2# . . . . . 38 . HG2# . . rr_1nct 1 1009 1 . . 1 1 46 46 VAL MG2 H . . . 1 1 65 65 THR MG H . . . . . 5.4 2.9 5.55 . . . . . A . 31 VAL MG2 . . A . 50 THR MG . . . 38 . HG2# . . . . . 57 . HG2# . . rr_1nct 1 1010 1 . . 1 1 46 46 VAL MG1 H . . . 1 1 65 65 THR MG H . . . . . 4.5 2.0 4.65 . . . . . A . 31 VAL MG1 . . A . 50 THR MG . . . 38 . HG1# . . . . . 57 . HG2# . . rr_1nct 1 1011 1 . . 1 1 47 47 THR HB H . . . 1 1 49 49 LEU MD2 H . . . . . 4.6 2.1 4.75 . . . . . A . 32 THR HB . . A . 34 LEU MD2 . . . 39 . HB . . . . . 41 . HD2# . . rr_1nct 1 1012 1 . . 1 1 47 47 THR HB H . . . 1 1 49 49 LEU MD1 H . . . . . 6.0 3.5 6.15 . . . . . A . 32 THR HB . . A . 34 LEU MD1 . . . 39 . HB . . . . . 41 . HD1# . . rr_1nct 1 1013 1 . . 1 1 54 54 VAL HB H . . . 1 1 47 47 THR MG H . . . . . 4.6 2.1 4.75 . . . . . A . 39 VAL HB . . A . 32 THR MG . . . 46 . HB . . . . . 39 . HG2# . . rr_1nct 1 1014 1 . . 1 1 54 54 VAL MG1 H . . . 1 1 47 47 THR MG H . . . . . 5.3 2.8 5.45 . . . . . A . 39 VAL MG1 . . A . 32 THR MG . . . 46 . HG1# . . . . . 39 . HG2# . . rr_1nct 1 1015 1 . . 1 1 47 47 THR HB H . . . 1 1 88 88 VAL HB H . . . . . 4.0 1.5 4.15 . . . . . A . 32 THR HB . . A . 73 VAL HB . . . 39 . HB . . . . . 80 . HB . . rr_1nct 1 1016 1 . . 1 1 55 55 LEU MD2 H . . . 1 1 48 48 TRP HB2 H . . . . . 4.0 1.5 4.15 . . . . . A . 40 LEU MD2 . . A . 33 TRP HB2 . . . 47 . HD2# . . . . . 40 . HB2 . . rr_1nct 1 1017 1 . . 1 1 55 55 LEU MD2 H . . . 1 1 48 48 TRP HB3 H . . . . . 3.0 0.5 3.15 . . . . . A . 40 LEU MD2 . . A . 33 TRP HB3 . . . 47 . HD2# . . . . . 40 . HB1 . . rr_1nct 1 1018 1 . . 1 1 55 55 LEU MD1 H . . . 1 1 48 48 TRP HB3 H . . . . . 3.8 1.3 3.95 . . . . . A . 40 LEU MD1 . . A . 33 TRP HB3 . . . 47 . HD1# . . . . . 40 . HB1 . . rr_1nct 1 1019 1 . . 1 1 55 55 LEU MD1 H . . . 1 1 48 48 TRP HB2 H . . . . . 4.6 2.1 4.75 . . . . . A . 40 LEU MD1 . . A . 33 TRP HB2 . . . 47 . HD1# . . . . . 40 . HB2 . . rr_1nct 1 1020 1 . . 1 1 48 48 TRP HB2 H . . . 1 1 55 55 LEU HB2 H . . . . . 2.4 -0.1 2.55 . . . . . A . 33 TRP HB2 . . A . 40 LEU HB2 . . . 40 . HB2 . . . . . 47 . HB2 . . rr_1nct 1 1021 1 . . 1 1 55 55 LEU HB3 H . . . 1 1 48 48 TRP HB2 H . . . . . 3.9 1.4 4.05 . . . . . A . 40 LEU HB3 . . A . 33 TRP HB2 . . . 47 . HB1 . . . . . 40 . HB2 . . rr_1nct 1 1022 1 . . 1 1 48 48 TRP HB3 H . . . 1 1 55 55 LEU HB2 H . . . . . 2.6 0.1 2.75 . . . . . A . 33 TRP HB3 . . A . 40 LEU HB2 . . . 40 . HB1 . . . . . 47 . HB2 . . rr_1nct 1 1023 1 . . 1 1 55 55 LEU HB3 H . . . 1 1 48 48 TRP HB3 H . . . . . 3.7 1.2 3.85 . . . . . A . 40 LEU HB3 . . A . 33 TRP HB3 . . . 47 . HB1 . . . . . 40 . HB1 . . rr_1nct 1 1024 1 . . 1 1 54 54 VAL MG1 H . . . 1 1 49 49 LEU MD1 H . . . . . 5.8 3.3 5.95 . . . . . A . 39 VAL MG1 . . A . 34 LEU MD1 . . . 46 . HG1# . . . . . 41 . HD1# . . rr_1nct 1 1025 1 OR . 1 1 54 54 VAL MG1 H . . . 1 1 49 49 LEU HB2 H . . . . . 5.0 2.5 5.15 . . . . . A . 39 VAL MG1 . . A . 34 LEU HB2 . . . 46 . HG1# . . . . . 41 . HB# . . rr_1nct 1 1025 2 OR . 1 1 54 54 VAL MG1 H . . . 1 1 49 49 LEU HB3 H . . . . . 5.0 2.5 5.15 . . . . . A . 39 VAL MG1 . . A . 34 LEU HB3 . . . 46 . HG1# . . . . . 41 . HB# . . rr_1nct 1 1026 1 . . 1 1 49 49 LEU MD2 H . . . 1 1 88 88 VAL HB H . . . . . 5.2 2.7 5.35 . . . . . A . 34 LEU MD2 . . A . 73 VAL HB . . . 41 . HD2# . . . . . 80 . HB . . rr_1nct 1 1027 1 OR . 1 1 51 51 LYS HD2 H . . . 1 1 82 82 GLU HG2 H . . . . . 6.5 4.0 6.65 . . . . . A . 36 LYS HD2 . . A . 67 GLU HG2 . . . 43 . HD# . . . . . 74 . HG# . . rr_1nct 1 1027 2 OR . 1 1 51 51 LYS HD3 H . . . 1 1 82 82 GLU HG2 H . . . . . 6.5 4.0 6.65 . . . . . A . 36 LYS HD3 . . A . 67 GLU HG2 . . . 43 . HD# . . . . . 74 . HG# . . rr_1nct 1 1027 3 OR . 1 1 82 82 GLU HG3 H . . . 1 1 51 51 LYS HD2 H . . . . . 6.5 4.0 6.65 . . . . . A . 67 GLU HG3 . . A . 36 LYS HD2 . . . 74 . HG# . . . . . 43 . HD# . . rr_1nct 1 1027 4 OR . 1 1 82 82 GLU HG3 H . . . 1 1 51 51 LYS HD3 H . . . . . 6.5 4.0 6.65 . . . . . A . 67 GLU HG3 . . A . 36 LYS HD3 . . . 74 . HG# . . . . . 43 . HD# . . rr_1nct 1 1028 1 OR . 1 1 55 55 LEU MD2 H . . . 1 1 72 72 PHE HB2 H . . . . . 6.0 3.5 6.15 . . . . . A . 40 LEU MD2 . . A . 57 PHE HB2 . . . 47 . HD2# . . . . . 64 . HB# . . rr_1nct 1 1028 2 OR . 1 1 55 55 LEU MD2 H . . . 1 1 72 72 PHE HB3 H . . . . . 6.0 3.5 6.15 . . . . . A . 40 LEU MD2 . . A . 57 PHE HB3 . . . 47 . HD2# . . . . . 64 . HB# . . rr_1nct 1 1029 1 OR . 1 1 55 55 LEU MD2 H . . . 1 1 50 50 ARG HB2 H . . . . . 5.0 2.5 5.15 . . . . . A . 40 LEU MD2 . . A . 35 ARG HB2 . . . 47 . HD2# . . . . . 42 . HB# . . rr_1nct 1 1029 2 OR . 1 1 55 55 LEU MD2 H . . . 1 1 50 50 ARG HB3 H . . . . . 5.0 2.5 5.15 . . . . . A . 40 LEU MD2 . . A . 35 ARG HB3 . . . 47 . HD2# . . . . . 42 . HB# . . rr_1nct 1 1030 1 . . 1 1 57 57 THR MG H . . . 1 1 63 63 VAL HB H . . . . . 4.9 2.4 5.05 . . . . . A . 42 THR MG . . A . 48 VAL HB . . . 49 . HG2# . . . . . 55 . HB . . rr_1nct 1 1031 1 . . 1 1 57 57 THR MG H . . . 1 1 63 63 VAL MG1 H . . . . . 4.5 2.0 4.65 . . . . . A . 42 THR MG . . A . 48 VAL MG1 . . . 49 . HG2# . . . . . 55 . HG1# . . rr_1nct 1 1032 1 . . 1 1 57 57 THR MG H . . . 1 1 63 63 VAL MG2 H . . . . . 6.0 3.5 6.15 . . . . . A . 42 THR MG . . A . 48 VAL MG2 . . . 49 . HG2# . . . . . 55 . HG2# . . rr_1nct 1 1033 1 OR . 1 1 61 61 HIS HB2 H . . . 1 1 58 58 SER HB3 H . . . . . 7.0 4.5 7.15 . . . . . A . 46 HIS HB2 . . A . 43 SER HB3 . . . 53 . HB# . . . . . 50 . HB1 . . rr_1nct 1 1033 2 OR . 1 1 58 58 SER HB3 H . . . 1 1 61 61 HIS HB3 H . . . . . 7.0 4.5 7.15 . . . . . A . 43 SER HB3 . . A . 46 HIS HB3 . . . 50 . HB1 . . . . . 53 . HB# . . rr_1nct 1 1034 1 OR . 1 1 60 60 ARG HB3 H . . . 1 1 78 78 GLN HG2 H . . . . . 5.5 3.0 5.65 . . . . . A . 45 ARG HB3 . . A . 63 GLN HG2 . . . 52 . HB# . . . . . 70 . HG# . . rr_1nct 1 1034 2 OR . 1 1 60 60 ARG HB2 H . . . 1 1 78 78 GLN HG2 H . . . . . 5.5 3.0 5.65 . . . . . A . 45 ARG HB2 . . A . 63 GLN HG2 . . . 52 . HB# . . . . . 70 . HG# . . rr_1nct 1 1034 3 OR . 1 1 78 78 GLN HG3 H . . . 1 1 60 60 ARG HB2 H . . . . . 5.5 3.0 5.65 . . . . . A . 63 GLN HG3 . . A . 45 ARG HB2 . . . 70 . HG# . . . . . 52 . HB# . . rr_1nct 1 1034 4 OR . 1 1 60 60 ARG HB3 H . . . 1 1 78 78 GLN HG3 H . . . . . 5.5 3.0 5.65 . . . . . A . 45 ARG HB3 . . A . 63 GLN HG3 . . . 52 . HB# . . . . . 70 . HG# . . rr_1nct 1 1035 1 OR . 1 1 60 60 ARG HG2 H . . . 1 1 78 78 GLN HG2 H . . . . . 6.1 3.6 6.25 . . . . . A . 45 ARG HG2 . . A . 63 GLN HG2 . . . 52 . HG# . . . . . 70 . HG# . . rr_1nct 1 1035 2 OR . 1 1 60 60 ARG HG3 H . . . 1 1 78 78 GLN HG2 H . . . . . 6.1 3.6 6.25 . . . . . A . 45 ARG HG3 . . A . 63 GLN HG2 . . . 52 . HG# . . . . . 70 . HG# . . rr_1nct 1 1035 3 OR . 1 1 78 78 GLN HG3 H . . . 1 1 60 60 ARG HG2 H . . . . . 6.1 3.6 6.25 . . . . . A . 63 GLN HG3 . . A . 45 ARG HG2 . . . 70 . HG# . . . . . 52 . HG# . . rr_1nct 1 1035 4 OR . 1 1 60 60 ARG HG3 H . . . 1 1 78 78 GLN HG3 H . . . . . 6.1 3.6 6.25 . . . . . A . 45 ARG HG3 . . A . 63 GLN HG3 . . . 52 . HG# . . . . . 70 . HG# . . rr_1nct 1 1036 1 OR . 1 1 76 76 SER HB2 H . . . 1 1 60 60 ARG HB2 H . . . . . 6.0 3.5 6.15 . . . . . A . 61 SER HB2 . . A . 45 ARG HB2 . . . 68 . HB2 . . . . . 52 . HB# . . rr_1nct 1 1036 2 OR . 1 1 60 60 ARG HB3 H . . . 1 1 76 76 SER HB2 H . . . . . 6.0 3.5 6.15 . . . . . A . 45 ARG HB3 . . A . 61 SER HB2 . . . 52 . HB# . . . . . 68 . HB2 . . rr_1nct 1 1037 1 . . 1 1 46 46 VAL MG2 H . . . 1 1 70 70 SER HB2 H . . . . . 4.0 1.5 4.15 . . . . . A . 31 VAL MG2 . . A . 55 SER HB2 . . . 38 . HG2# . . . . . 62 . HB2 . . rr_1nct 1 1038 1 . . 1 1 46 46 VAL MG2 H . . . 1 1 70 70 SER HB3 H . . . . . 3.8 1.3 3.95 . . . . . A . 31 VAL MG2 . . A . 55 SER HB3 . . . 38 . HG2# . . . . . 62 . HB1 . . rr_1nct 1 1039 1 . . 1 1 87 87 VAL MG2 H . . . 1 1 70 70 SER HB2 H . . . . . 5.0 2.5 5.15 . . . . . A . 72 VAL MG2 . . A . 55 SER HB2 . . . 79 . HG2# . . . . . 62 . HB2 . . rr_1nct 1 1040 1 . . 1 1 81 81 ASP HB2 H . . . 1 1 77 77 VAL MG2 H . . . . . 3.0 0.5 3.15 . . . . . A . 66 ASP HB2 . . A . 62 VAL MG2 . . . 73 . HB2 . . . . . 69 . HG2# . . rr_1nct 1 1041 1 . . 1 1 81 81 ASP HB3 H . . . 1 1 77 77 VAL MG2 H . . . . . 4.0 1.5 4.15 . . . . . A . 66 ASP HB3 . . A . 62 VAL MG2 . . . 73 . HB1 . . . . . 69 . HG2# . . rr_1nct 1 1042 1 . . 1 1 84 84 ASN HB2 H . . . 1 1 101 101 THR MG H . . . . . 5.8 3.3 5.95 . . . . . A . 69 ASN HB2 . . A . 86 THR MG . . . 76 . HB2 . . . . . 93 . HG2# . . rr_1nct 1 1043 1 . . 1 1 84 84 ASN HB3 H . . . 1 1 101 101 THR MG H . . . . . 5.2 2.7 5.35 . . . . . A . 69 ASN HB3 . . A . 86 THR MG . . . 76 . HB1 . . . . . 93 . HG2# . . rr_1nct 1 1044 1 . . 1 1 84 84 ASN HB2 H . . . 1 1 101 101 THR HB H . . . . . 4.2 1.7 4.35 . . . . . A . 69 ASN HB2 . . A . 86 THR HB . . . 76 . HB2 . . . . . 93 . HB . . rr_1nct 1 1045 1 . . 1 1 84 84 ASN HB3 H . . . 1 1 101 101 THR HB H . . . . . 4.6 2.1 4.75 . . . . . A . 69 ASN HB3 . . A . 86 THR HB . . . 76 . HB1 . . . . . 93 . HB . . rr_1nct 1 1046 1 . . 1 1 87 87 VAL MG1 H . . . 1 1 86 86 SER HB3 H . . . . . 5.2 2.7 5.35 . . . . . A . 72 VAL MG1 . . A . 71 SER HB3 . . . 79 . HG1# . . . . . 78 . HB1 . . rr_1nct 1 1047 1 . . 1 1 46 46 VAL MG2 H . . . 1 1 87 87 VAL MG2 H . . . . . 4.5 2.0 4.65 . . . . . A . 31 VAL MG2 . . A . 72 VAL MG2 . . . 38 . HG2# . . . . . 79 . HG2# . . rr_1nct 1 1048 1 . . 1 1 87 87 VAL MG2 H . . . 1 1 17 17 ILE MD H . . . . . 5.2 2.7 5.35 . . . . . A . 72 VAL MG2 . . A . 2 ILE MD . . . 79 . HG2# . . . . . 9 . HD1# . . rr_1nct 1 1049 1 . . 1 1 46 46 VAL MG1 H . . . 1 1 87 87 VAL MG2 H . . . . . 5.5 3.0 5.65 . . . . . A . 31 VAL MG1 . . A . 72 VAL MG2 . . . 38 . HG1# . . . . . 79 . HG2# . . rr_1nct 1 1050 1 . . 1 1 87 87 VAL MG2 H . . . 1 1 89 89 VAL MG2 H . . . . . 4.6 2.1 4.75 . . . . . A . 72 VAL MG2 . . A . 74 VAL MG2 . . . 79 . HG2# . . . . . 81 . HG2# . . rr_1nct 1 1051 1 . . 1 1 87 87 VAL MG2 H . . . 1 1 98 98 ALA MB H . . . . . 5.2 2.7 5.35 . . . . . A . 72 VAL MG2 . . A . 83 ALA MB . . . 79 . HG2# . . . . . 90 . HB# . . rr_1nct 1 1052 1 . . 1 1 87 87 VAL MG2 H . . . 1 1 89 89 VAL HB H . . . . . 4.1 1.6 4.25 . . . . . A . 72 VAL MG2 . . A . 74 VAL HB . . . 79 . HG2# . . . . . 81 . HB . . rr_1nct 1 1053 1 OR . 1 1 89 89 VAL HB H . . . 1 1 96 96 GLN HG2 H . . . . . 6.4 3.9 6.55 . . . . . A . 74 VAL HB . . A . 81 GLN HG2 . . . 81 . HB . . . . . 88 . HG# . . rr_1nct 1 1053 2 OR . 1 1 89 89 VAL HB H . . . 1 1 96 96 GLN HG3 H . . . . . 6.4 3.9 6.55 . . . . . A . 74 VAL HB . . A . 81 GLN HG3 . . . 81 . HB . . . . . 88 . HG# . . rr_1nct 1 1054 1 OR . 1 1 89 89 VAL HB H . . . 1 1 96 96 GLN HB2 H . . . . . 5.9 3.4 6.05 . . . . . A . 74 VAL HB . . A . 81 GLN HB2 . . . 81 . HB . . . . . 88 . HB# . . rr_1nct 1 1054 2 OR . 1 1 89 89 VAL HB H . . . 1 1 96 96 GLN HB3 H . . . . . 5.9 3.4 6.05 . . . . . A . 74 VAL HB . . A . 81 GLN HB3 . . . 81 . HB . . . . . 88 . HB# . . rr_1nct 1 stop_ loop_ _Gen_dist_constraint_parse_err.ID _Gen_dist_constraint_parse_err.Content _Gen_dist_constraint_parse_err.Begin_line _Gen_dist_constraint_parse_err.Begin_column _Gen_dist_constraint_parse_err.End_line _Gen_dist_constraint_parse_err.End_column _Gen_dist_constraint_parse_err.Entry_ID _Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID 1 + 835 2 835 2 rr_1nct 1 2 + 843 2 843 2 rr_1nct 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 ; modified to remove mistakes from the original diana_master.upl NOE list for Titin NEXTM5 as from : 13.12.94 NOEs taken from all spectra (2D NOESY, 3D TONO, 15N-NOESY-HSQC) with 70 ms mixing time and calibrated according to standard beta sheet distances distances are taken from the 2D NOESY if no overlap is present. The average of the symmetric pair is taken and rounded to the next 0.05 A value. In case of overlap, the distance is taken from the 3D NOESY-HSQC. NOEs of peaks overlapping with water are given the longest distance of the corresponding class. For good agreements between dv and di the values of dv is taken. In cases of large differences the longer one is used. ATTENTION ATTENTION ATTENTION ATTENTION in contrast to M5 the NEXTM5 numbering ist shifted by SEVEN residues. The NEXTM5 in the calculation starts with S-7 that is set to be the first residue. ATTENTION ATTENTION ATTENTION ATTENTION to compare, one has to add/subtract general modifications are: non-stereospeciic pairs + 0.8 each degenerate CH2 groups + 1.0 each aromatics + 1.5 each methyls + 1.5 each QR + 2.5 each any other correction is given explicitely sequential distances ; 1 1 39 24 rr_1nct 1 2 3D 40 69 40 78 rr_1nct 1 3 3D 41 70 41 85 rr_1nct 1 4 3D 42 69 42 84 rr_1nct 1 5 3D 43 70 43 85 rr_1nct 1 6 3D 44 71 44 86 rr_1nct 1 7 '3D + 0.4' 45 69 45 84 rr_1nct 1 8 3D 46 71 46 86 rr_1nct 1 9 3D 47 71 47 86 rr_1nct 1 10 '3D + 0.2' 48 69 48 84 rr_1nct 1 11 3D 49 70 49 85 rr_1nct 1 12 3D 50 70 50 85 rr_1nct 1 13 3D 51 69 51 84 rr_1nct 1 14 3D 52 70 52 85 rr_1nct 1 15 3D 53 71 53 86 rr_1nct 1 16 2D 54 72 54 87 rr_1nct 1 17 2D 55 72 55 87 rr_1nct 1 18 3D 56 71 56 86 rr_1nct 1 19 3D 57 71 57 86 rr_1nct 1 20 3D 58 72 58 87 rr_1nct 1 21 3D 59 72 59 87 rr_1nct 1 22 3D 60 71 60 86 rr_1nct 1 23 3D 61 71 61 86 rr_1nct 1 24 3D 62 72 62 87 rr_1nct 1 25 3D 63 72 63 87 rr_1nct 1 26 3D 64 72 64 87 rr_1nct 1 27 '3D + 0.3' 65 71 65 86 rr_1nct 1 28 3D 66 72 66 87 rr_1nct 1 29 '3D + 0.3' 67 72 67 87 rr_1nct 1 30 3D 68 71 68 86 rr_1nct 1 31 2D 69 72 69 87 rr_1nct 1 32 2D 70 72 70 87 rr_1nct 1 33 '2D d2o +' 71 73 71 88 rr_1nct 1 34 '2D d2o +' 72 73 72 88 rr_1nct 1 35 '3D + 0.2' 73 71 73 86 rr_1nct 1 36 '3D + 0.2' 74 71 74 86 rr_1nct 1 37 '3D + 0.4' 75 71 75 86 rr_1nct 1 38 3D 76 73 76 88 rr_1nct 1 39 3D 77 73 77 88 rr_1nct 1 40 3D 78 72 78 87 rr_1nct 1 41 3D 79 72 79 87 rr_1nct 1 42 '3D + 0.6' 80 71 80 86 rr_1nct 1 43 3D 81 72 81 87 rr_1nct 1 44 3D 82 72 82 87 rr_1nct 1 45 3D 83 72 83 87 rr_1nct 1 46 '3D + 0.2' 84 72 84 87 rr_1nct 1 47 '3D + 0.2' 85 72 85 87 rr_1nct 1 48 '3D + 0.4' 86 71 86 86 rr_1nct 1 49 '3D + 0.2' 87 72 87 87 rr_1nct 1 50 3D 88 72 88 87 rr_1nct 1 51 3D 89 71 89 86 rr_1nct 1 52 3D 90 71 90 86 rr_1nct 1 53 3D 91 72 91 87 rr_1nct 1 54 3D 92 71 92 86 rr_1nct 1 55 3D 93 72 93 87 rr_1nct 1 56 3D 94 71 94 86 rr_1nct 1 57 3D 95 72 95 87 rr_1nct 1 58 3D 96 71 96 86 rr_1nct 1 59 3D 97 71 97 86 rr_1nct 1 60 2D 98 72 98 87 rr_1nct 1 61 '2D d20 +' 99 73 99 88 rr_1nct 1 62 3D 100 71 100 86 rr_1nct 1 63 2D 101 72 101 87 rr_1nct 1 64 3D 102 73 102 88 rr_1nct 1 65 3D 103 71 103 86 rr_1nct 1 66 3D 104 71 104 86 rr_1nct 1 67 3D 105 72 105 87 rr_1nct 1 68 3D 106 72 106 87 rr_1nct 1 69 3D 107 71 107 86 rr_1nct 1 70 3D 108 72 108 87 rr_1nct 1 71 3D 109 72 109 87 rr_1nct 1 72 '3D + 0.4' 110 72 110 87 rr_1nct 1 73 '3D + 0.4' 111 72 111 87 rr_1nct 1 74 '3D + 0.2' 112 71 112 86 rr_1nct 1 75 '2D + 2.0' 113 74 113 89 rr_1nct 1 76 '2D + 2.0' 114 74 114 89 rr_1nct 1 77 3D 115 72 115 87 rr_1nct 1 78 3D 116 72 116 87 rr_1nct 1 79 3D 117 71 117 86 rr_1nct 1 80 3D 118 71 118 86 rr_1nct 1 81 3D 119 71 119 86 rr_1nct 1 82 3D 120 73 120 88 rr_1nct 1 83 3D 121 73 121 88 rr_1nct 1 84 3D 122 73 122 88 rr_1nct 1 85 3D 123 71 123 86 rr_1nct 1 86 '3D + 0.4' 124 71 124 86 rr_1nct 1 87 '2D + 1.0' 125 73 125 88 rr_1nct 1 88 3D 126 72 126 87 rr_1nct 1 89 3D 127 72 127 87 rr_1nct 1 90 '3D + 0.2' 128 71 128 86 rr_1nct 1 91 '3D + 0.3' 129 71 129 86 rr_1nct 1 92 2D 130 72 130 87 rr_1nct 1 93 3D 131 71 131 86 rr_1nct 1 94 '3D + 0.4' 132 71 132 86 rr_1nct 1 95 3D 133 72 133 87 rr_1nct 1 96 '3D + 0.3' 134 72 134 87 rr_1nct 1 97 '3D + 0.3' 135 72 135 87 rr_1nct 1 98 '3D + 0.1' 136 72 136 87 rr_1nct 1 99 2D 137 73 137 88 rr_1nct 1 100 '3D + 0.3' 138 71 138 86 rr_1nct 1 101 '3D + 0.5' 139 72 139 87 rr_1nct 1 102 '2D + 1.0' 140 73 140 88 rr_1nct 1 103 3D 141 71 141 86 rr_1nct 1 104 '3D + 0.8' 142 71 142 86 rr_1nct 1 105 3D 143 71 143 86 rr_1nct 1 106 3D 144 73 144 88 rr_1nct 1 107 3D 145 72 145 87 rr_1nct 1 108 '3D + 0.3' 146 71 146 86 rr_1nct 1 109 3D 147 73 147 88 rr_1nct 1 110 3D 148 71 148 86 rr_1nct 1 111 3D 149 72 149 87 rr_1nct 1 112 '3D + 0.3' 150 71 150 86 rr_1nct 1 113 '3D + 0.5' 151 73 151 88 rr_1nct 1 114 2D 152 71 152 86 rr_1nct 1 115 3D 153 72 153 87 rr_1nct 1 116 3D 154 71 154 86 rr_1nct 1 117 '3D + 0.8' 155 71 155 86 rr_1nct 1 118 '3D + 0.2' 156 71 156 86 rr_1nct 1 119 3D 157 72 157 87 rr_1nct 1 120 '3D + 0.2' 158 72 158 87 rr_1nct 1 121 3D 159 71 159 86 rr_1nct 1 122 '3D + 0.2' 160 72 160 87 rr_1nct 1 123 '3D + 0.2' 161 72 161 87 rr_1nct 1 124 3D 162 72 162 87 rr_1nct 1 125 3D 163 73 163 88 rr_1nct 1 126 '3D + 0.3' 164 71 164 86 rr_1nct 1 127 3D 165 73 165 88 rr_1nct 1 128 3D 166 71 166 86 rr_1nct 1 129 3D 167 71 167 86 rr_1nct 1 130 3D 168 71 168 86 rr_1nct 1 131 '3D + 0.4' 169 71 169 86 rr_1nct 1 132 '3D + 0.5' 170 71 170 86 rr_1nct 1 133 '3D + 0.3' 171 71 171 86 rr_1nct 1 134 3D 172 72 172 87 rr_1nct 1 135 3D 173 72 173 87 rr_1nct 1 136 3D 174 72 174 87 rr_1nct 1 137 '3D + 0.2' 175 71 175 86 rr_1nct 1 138 '3D + 0.2' 176 71 176 86 rr_1nct 1 139 3D 177 72 177 87 rr_1nct 1 140 '3D + 0.3' 178 72 178 87 rr_1nct 1 141 '3D + 0.3' 179 72 179 87 rr_1nct 1 142 '3D + 0.3' 180 71 180 86 rr_1nct 1 143 '2D d2o +' 181 73 181 88 rr_1nct 1 144 3D 182 71 182 86 rr_1nct 1 145 '3D + 0.5' 183 71 183 86 rr_1nct 1 146 2D 184 72 184 87 rr_1nct 1 147 3D 185 73 185 88 rr_1nct 1 148 3D 186 71 186 86 rr_1nct 1 149 3D 187 71 187 86 rr_1nct 1 150 '2D d2o +' 188 73 188 88 rr_1nct 1 151 3D 189 71 189 86 rr_1nct 1 152 3D 190 71 190 86 rr_1nct 1 153 3D 191 71 191 86 rr_1nct 1 154 2D 192 72 192 87 rr_1nct 1 155 3D 193 72 193 87 rr_1nct 1 156 '2D d2o +' 194 73 194 88 rr_1nct 1 157 3D 195 71 195 86 rr_1nct 1 158 3D 196 72 196 87 rr_1nct 1 159 3D 197 72 197 87 rr_1nct 1 160 3D 198 72 198 87 rr_1nct 1 161 3D 199 71 199 86 rr_1nct 1 162 3D 200 72 200 87 rr_1nct 1 163 3D 201 71 201 86 rr_1nct 1 164 3D 202 72 202 87 rr_1nct 1 165 3D 203 71 203 86 rr_1nct 1 166 3D 204 71 204 86 rr_1nct 1 167 3D 205 72 205 87 rr_1nct 1 168 '2D d20 +' 206 73 206 88 rr_1nct 1 169 3D 207 72 207 87 rr_1nct 1 170 3D 208 72 208 87 rr_1nct 1 171 '3D + 0.2' 209 71 209 86 rr_1nct 1 172 3D 210 72 210 87 rr_1nct 1 173 3D 211 72 211 87 rr_1nct 1 174 3D 212 72 212 87 rr_1nct 1 175 '3D + 0.3' 213 71 213 86 rr_1nct 1 176 3D 214 72 214 87 rr_1nct 1 177 3D 215 72 215 87 rr_1nct 1 178 3D 216 71 216 86 rr_1nct 1 179 3D 217 72 217 87 rr_1nct 1 180 3D 218 71 218 86 rr_1nct 1 181 3D 219 73 219 88 rr_1nct 1 182 3D 220 72 220 87 rr_1nct 1 183 3D 221 72 221 87 rr_1nct 1 184 3D 222 71 222 86 rr_1nct 1 185 3D 223 73 223 88 rr_1nct 1 186 3D 224 73 224 88 rr_1nct 1 187 3D 225 71 225 86 rr_1nct 1 188 3D 226 72 226 87 rr_1nct 1 189 3D 227 72 227 87 rr_1nct 1 190 3D 228 71 228 86 rr_1nct 1 191 3D 229 71 229 86 rr_1nct 1 192 3D 230 72 230 87 rr_1nct 1 193 3D 231 72 231 87 rr_1nct 1 194 3D 232 71 232 86 rr_1nct 1 195 3D 233 72 233 87 rr_1nct 1 196 '3D + 0.2' 234 71 234 86 rr_1nct 1 197 3D 235 72 235 87 rr_1nct 1 198 3D 236 72 236 87 rr_1nct 1 199 3D 237 72 237 87 rr_1nct 1 200 3D 238 72 238 87 rr_1nct 1 201 3D 239 72 239 87 rr_1nct 1 202 3D 240 71 240 86 rr_1nct 1 203 '2D d2o +' 241 72 241 87 rr_1nct 1 204 3D 242 71 242 86 rr_1nct 1 205 3D 243 72 243 87 rr_1nct 1 206 3D 244 72 244 87 rr_1nct 1 207 3D 245 71 245 86 rr_1nct 1 208 3D 246 72 246 87 rr_1nct 1 209 3D 247 72 247 87 rr_1nct 1 210 3D 248 72 248 87 rr_1nct 1 211 3D 249 71 249 86 rr_1nct 1 212 3D 250 72 250 87 rr_1nct 1 213 '3D + 0.2' 251 72 251 87 rr_1nct 1 214 3D 252 71 252 86 rr_1nct 1 215 3D 253 71 253 86 rr_1nct 1 216 3D 254 71 254 86 rr_1nct 1 217 3D 255 72 255 87 rr_1nct 1 218 3D 256 73 256 88 rr_1nct 1 219 3D 257 71 257 86 rr_1nct 1 220 '2D + 1.0' 258 73 258 88 rr_1nct 1 221 3D 259 71 259 86 rr_1nct 1 222 3D 260 71 260 86 rr_1nct 1 223 3D 261 73 261 88 rr_1nct 1 224 3D 262 73 262 88 rr_1nct 1 225 '3D + 0.3' 263 71 263 86 rr_1nct 1 226 '3D any intraresidual distances' 264 71 267 3 rr_1nct 1 227 3D 268 69 268 84 rr_1nct 1 228 3D 269 70 269 85 rr_1nct 1 229 3D 270 70 270 85 rr_1nct 1 230 '2D d2o +' 271 71 271 86 rr_1nct 1 231 3D 272 71 272 86 rr_1nct 1 232 '2D d2o +' 273 71 273 86 rr_1nct 1 233 3D 274 71 274 86 rr_1nct 1 234 3D 275 71 275 86 rr_1nct 1 235 3D 276 69 276 84 rr_1nct 1 236 '2D d20 +' 277 71 277 86 rr_1nct 1 237 '2D d2o +' 278 71 278 86 rr_1nct 1 238 2D 279 72 279 87 rr_1nct 1 239 2D 280 72 280 87 rr_1nct 1 240 3D 281 71 281 86 rr_1nct 1 241 '2D d2o +' 282 73 282 88 rr_1nct 1 242 3D 283 71 283 86 rr_1nct 1 243 3D 284 72 284 87 rr_1nct 1 244 3D 285 72 285 87 rr_1nct 1 245 3D 286 72 286 87 rr_1nct 1 246 '2D d2o +' 287 72 287 87 rr_1nct 1 247 3D 288 72 288 87 rr_1nct 1 248 3D 289 72 289 87 rr_1nct 1 249 '2D d2o' 290 72 290 87 rr_1nct 1 250 '2D d2o' 291 72 291 87 rr_1nct 1 251 2D 292 72 292 87 rr_1nct 1 252 2D 293 72 293 87 rr_1nct 1 253 3D 294 72 294 87 rr_1nct 1 254 '2D d2o' 295 72 295 87 rr_1nct 1 255 '2D d2o' 296 72 296 87 rr_1nct 1 256 3D 297 71 297 86 rr_1nct 1 257 3D 298 71 298 86 rr_1nct 1 258 3D 299 73 299 88 rr_1nct 1 259 '2D d2o +' 300 73 300 88 rr_1nct 1 260 3D 301 71 301 86 rr_1nct 1 261 3D 302 73 302 88 rr_1nct 1 262 3D 303 73 303 88 rr_1nct 1 263 '2D d2o' 304 71 304 86 rr_1nct 1 264 '2D d2o +' 305 73 305 88 rr_1nct 1 265 '2D d2o +' 306 73 306 88 rr_1nct 1 266 3D 307 72 307 87 rr_1nct 1 267 3D 308 72 308 87 rr_1nct 1 268 '2D d2o' 309 72 309 87 rr_1nct 1 269 '2D d2o' 310 72 310 87 rr_1nct 1 270 3D 311 72 311 87 rr_1nct 1 271 3D 312 72 312 87 rr_1nct 1 272 3D 313 72 313 87 rr_1nct 1 273 '2D d2o' 314 72 314 87 rr_1nct 1 274 '2D d2o' 315 72 315 87 rr_1nct 1 275 '2D d2o' 316 72 316 87 rr_1nct 1 276 '2D d2o' 317 72 317 87 rr_1nct 1 277 3D 318 72 318 87 rr_1nct 1 278 3D 319 71 319 86 rr_1nct 1 279 '2D d2o' 320 72 320 87 rr_1nct 1 280 '2D d2o' 321 72 321 87 rr_1nct 1 281 3D 322 72 322 87 rr_1nct 1 282 3D 323 72 323 87 rr_1nct 1 283 3D 324 71 324 86 rr_1nct 1 284 3D 325 72 325 87 rr_1nct 1 285 3D 326 72 326 87 rr_1nct 1 286 '2D d2o' 327 72 327 87 rr_1nct 1 287 '2D d2o' 328 72 328 87 rr_1nct 1 288 2D 329 72 329 87 rr_1nct 1 289 2D 330 72 330 87 rr_1nct 1 290 '2D d2o' 331 72 331 87 rr_1nct 1 291 '2D d2o' 332 72 332 87 rr_1nct 1 292 3D 333 73 333 88 rr_1nct 1 293 2D 334 72 334 87 rr_1nct 1 294 '2D d2o' 335 72 335 87 rr_1nct 1 295 '2D d2o' 336 72 336 87 rr_1nct 1 296 3D 337 72 337 87 rr_1nct 1 297 3D 338 72 338 87 rr_1nct 1 298 3D 339 72 339 87 rr_1nct 1 299 3D 340 72 340 87 rr_1nct 1 300 3D 341 73 341 88 rr_1nct 1 301 3D 342 73 342 88 rr_1nct 1 302 3D 343 71 343 86 rr_1nct 1 303 '2D d2o' 344 71 344 86 rr_1nct 1 304 3D 345 73 345 88 rr_1nct 1 305 3D 346 71 346 86 rr_1nct 1 306 3D 347 73 347 88 rr_1nct 1 307 3D 348 73 348 88 rr_1nct 1 308 3D 349 71 349 86 rr_1nct 1 309 '2D d2o' 350 71 350 86 rr_1nct 1 310 '2D d2o' 351 73 351 88 rr_1nct 1 311 '2D d2o' 352 73 352 88 rr_1nct 1 312 3D 353 73 353 88 rr_1nct 1 313 3D 354 71 354 86 rr_1nct 1 314 '2D d2o' 355 72 355 87 rr_1nct 1 315 '2D d2o' 356 72 356 87 rr_1nct 1 316 3D 357 72 357 87 rr_1nct 1 317 '3D + 0.3' 358 71 358 86 rr_1nct 1 318 '2D d2o +' 359 73 359 88 rr_1nct 1 319 '2D d2o +' 360 73 360 88 rr_1nct 1 320 2D 361 72 361 87 rr_1nct 1 321 2D 362 72 362 87 rr_1nct 1 322 2D 363 72 363 87 rr_1nct 1 323 2D 364 72 364 87 rr_1nct 1 324 3D 365 72 365 87 rr_1nct 1 325 '3D + 0.1' 366 71 366 86 rr_1nct 1 326 3D 367 72 367 87 rr_1nct 1 327 '3D + 0.3' 368 72 368 87 rr_1nct 1 328 3D 369 72 369 87 rr_1nct 1 329 3D 370 72 370 87 rr_1nct 1 330 3D 371 73 371 88 rr_1nct 1 331 3D 372 73 372 88 rr_1nct 1 332 3D 373 73 373 88 rr_1nct 1 333 3D 374 73 374 88 rr_1nct 1 334 '2D d2o +' 375 73 375 88 rr_1nct 1 335 '2D d2o +' 376 73 376 88 rr_1nct 1 336 3D 377 71 377 86 rr_1nct 1 337 3D 378 72 378 87 rr_1nct 1 338 '3D + 0.3' 379 71 379 86 rr_1nct 1 339 3D 380 71 380 86 rr_1nct 1 340 3D 381 73 381 88 rr_1nct 1 341 '2D d2o' 382 72 382 87 rr_1nct 1 342 '2D d2o' 383 72 383 87 rr_1nct 1 343 2D 384 72 384 87 rr_1nct 1 344 2D 385 72 385 87 rr_1nct 1 345 '2D d2o' 386 72 386 87 rr_1nct 1 346 '2D d2o' 387 72 387 87 rr_1nct 1 347 3D 388 72 388 87 rr_1nct 1 348 3D 389 71 389 86 rr_1nct 1 349 3D 390 73 390 88 rr_1nct 1 350 3D 391 73 391 88 rr_1nct 1 351 '2D d2o +' 392 73 392 88 rr_1nct 1 352 '2D d2o +' 393 73 393 88 rr_1nct 1 353 '2D d2o +' 394 73 394 88 rr_1nct 1 354 '2D d2o +' 395 73 395 88 rr_1nct 1 355 2D 396 72 396 87 rr_1nct 1 356 '2D d2o' 397 72 397 87 rr_1nct 1 357 '2D d2o' 398 72 398 87 rr_1nct 1 358 3D 399 72 399 87 rr_1nct 1 359 3D 400 72 400 87 rr_1nct 1 360 '2D d2o' 401 72 401 87 rr_1nct 1 361 '2D d2o' 402 72 402 87 rr_1nct 1 362 '2D d2o' 403 72 403 87 rr_1nct 1 363 '2D d2o' 404 72 404 87 rr_1nct 1 364 '2D d2o +' 405 72 405 87 rr_1nct 1 365 '2D d2o' 406 72 406 87 rr_1nct 1 366 '2D d2o' 407 72 407 87 rr_1nct 1 367 2D 408 72 408 87 rr_1nct 1 368 2D 409 72 409 87 rr_1nct 1 369 2D 410 71 410 86 rr_1nct 1 370 2D 411 72 411 87 rr_1nct 1 371 2D 412 72 412 87 rr_1nct 1 372 '2D d2o' 413 73 413 88 rr_1nct 1 373 3D 414 72 414 87 rr_1nct 1 374 3D 415 72 415 87 rr_1nct 1 375 '2D d2o +' 416 72 416 87 rr_1nct 1 376 3D 417 71 417 86 rr_1nct 1 377 '2D d2o' 418 72 418 87 rr_1nct 1 378 '2D d2o' 419 72 419 87 rr_1nct 1 379 '2D d2o' 420 72 420 87 rr_1nct 1 380 '2D d2o' 421 72 421 87 rr_1nct 1 381 3D 422 73 422 88 rr_1nct 1 382 3D 423 73 423 88 rr_1nct 1 383 3D 424 71 424 86 rr_1nct 1 384 3D 425 72 425 87 rr_1nct 1 385 3D 426 72 426 87 rr_1nct 1 386 3D 427 72 427 87 rr_1nct 1 387 3D 428 74 428 89 rr_1nct 1 388 3D 429 74 429 89 rr_1nct 1 389 '3D + 0.4' 430 74 430 89 rr_1nct 1 390 '3D + 0.4' 431 74 431 89 rr_1nct 1 391 3D 432 71 432 86 rr_1nct 1 392 3D 433 72 433 87 rr_1nct 1 393 3D 434 72 434 87 rr_1nct 1 394 '2D d2o' 435 72 435 87 rr_1nct 1 395 '2D d2o' 436 72 436 87 rr_1nct 1 396 '3D + 0.4' 437 72 437 87 rr_1nct 1 397 '3D + 0.4' 438 72 438 87 rr_1nct 1 398 3D 439 72 439 87 rr_1nct 1 399 '2D d2o' 440 72 440 87 rr_1nct 1 400 '2D d2o' 441 72 441 87 rr_1nct 1 401 3D 442 72 442 87 rr_1nct 1 402 3D 443 72 443 87 rr_1nct 1 403 3D 444 72 444 87 rr_1nct 1 404 3D 445 72 445 87 rr_1nct 1 405 2D 446 72 446 87 rr_1nct 1 406 2D 447 72 447 87 rr_1nct 1 407 3D 448 74 448 89 rr_1nct 1 408 3D 449 74 449 89 rr_1nct 1 409 '3D + 0.3' 450 74 450 89 rr_1nct 1 410 '3D + 0.2' 451 74 451 89 rr_1nct 1 411 '2D d2o' 452 72 452 87 rr_1nct 1 412 '2D d2o' 453 72 453 87 rr_1nct 1 413 3D 454 71 454 86 rr_1nct 1 414 '2D d2o' 455 72 455 87 rr_1nct 1 415 '2D d2o' 456 72 456 87 rr_1nct 1 416 3D 457 71 457 86 rr_1nct 1 417 3D 458 73 458 88 rr_1nct 1 418 3D 459 73 459 88 rr_1nct 1 419 '2D d2o' 460 71 460 86 rr_1nct 1 420 '2D d2o +' 461 73 461 88 rr_1nct 1 421 '2D d2o +' 462 73 462 88 rr_1nct 1 422 3D 463 71 463 86 rr_1nct 1 423 '2D d2o' 464 71 464 86 rr_1nct 1 424 '2D d2o' 465 72 465 87 rr_1nct 1 425 '2D d2o' 466 72 466 87 rr_1nct 1 426 3D 467 71 467 86 rr_1nct 1 427 3D 468 71 468 86 rr_1nct 1 428 3D 469 74 469 89 rr_1nct 1 429 3D 470 74 470 89 rr_1nct 1 430 3D 471 74 471 89 rr_1nct 1 431 '3D + 0.4' 472 74 472 89 rr_1nct 1 432 '3D + 0.4' 473 74 473 89 rr_1nct 1 433 3D 474 74 474 89 rr_1nct 1 434 '2D d2o' 475 72 475 87 rr_1nct 1 435 '2D d2o' 476 72 476 87 rr_1nct 1 436 '2D d2o' 477 72 477 87 rr_1nct 1 437 '2D d2o' 478 72 478 87 rr_1nct 1 438 3D 479 73 479 88 rr_1nct 1 439 3D 480 71 480 86 rr_1nct 1 440 '2D d2o' 481 73 481 88 rr_1nct 1 441 3D 482 72 482 87 rr_1nct 1 442 3D 483 71 483 86 rr_1nct 1 443 '2D d2o +' 484 73 484 88 rr_1nct 1 444 '2D d2o +' 485 73 485 88 rr_1nct 1 445 '2D d2o +' 486 73 486 88 rr_1nct 1 446 '2D d2o' 487 71 487 86 rr_1nct 1 447 '2D d2o +' 488 73 488 88 rr_1nct 1 448 '2D d2o +' 489 73 489 88 rr_1nct 1 449 3D 490 73 490 88 rr_1nct 1 450 '3D any amide-amide distances' 491 73 494 3 rr_1nct 1 451 3D 495 69 495 84 rr_1nct 1 452 3D 496 69 496 84 rr_1nct 1 453 '3D + 0.4' 497 69 497 84 rr_1nct 1 454 3D 498 70 498 85 rr_1nct 1 455 '3D + 0.4' 499 69 499 84 rr_1nct 1 456 3D 500 70 500 85 rr_1nct 1 457 3D 501 69 501 84 rr_1nct 1 458 3D 502 70 502 85 rr_1nct 1 459 3D 503 71 503 86 rr_1nct 1 460 3D 504 71 504 86 rr_1nct 1 461 3D 505 71 505 86 rr_1nct 1 462 3D 506 71 506 86 rr_1nct 1 463 3D 507 71 507 86 rr_1nct 1 464 '3D no cal' 508 71 508 86 rr_1nct 1 465 3D 509 71 509 86 rr_1nct 1 466 3D 510 71 510 86 rr_1nct 1 467 3D 511 71 511 86 rr_1nct 1 468 3D 512 71 512 86 rr_1nct 1 469 3D 513 71 513 86 rr_1nct 1 470 3D 514 71 514 86 rr_1nct 1 471 3D 515 71 515 86 rr_1nct 1 472 3D 516 71 516 86 rr_1nct 1 473 3D 517 71 517 86 rr_1nct 1 474 3D 518 71 518 86 rr_1nct 1 475 3D 519 71 519 86 rr_1nct 1 476 3D 520 71 520 86 rr_1nct 1 477 3D 521 71 521 86 rr_1nct 1 478 3D 522 71 522 86 rr_1nct 1 479 3D 523 71 523 86 rr_1nct 1 480 3D 524 71 524 86 rr_1nct 1 481 3D 525 71 525 86 rr_1nct 1 482 3D 526 71 526 86 rr_1nct 1 483 3D 527 71 527 86 rr_1nct 1 484 3D 528 71 528 86 rr_1nct 1 485 3D 529 71 529 86 rr_1nct 1 486 3D 530 71 530 86 rr_1nct 1 487 3D 531 71 531 86 rr_1nct 1 488 3D 532 71 532 86 rr_1nct 1 489 3D 533 71 533 86 rr_1nct 1 490 3D 534 71 534 86 rr_1nct 1 491 3D 535 71 535 86 rr_1nct 1 492 3D 536 71 536 86 rr_1nct 1 493 3D 537 71 537 86 rr_1nct 1 494 3D 538 71 538 86 rr_1nct 1 495 3D 539 71 539 86 rr_1nct 1 496 3D 540 71 540 86 rr_1nct 1 497 3D 541 71 541 86 rr_1nct 1 498 3D 542 71 542 86 rr_1nct 1 499 3D 543 71 543 86 rr_1nct 1 500 '3D + 0.5' 544 71 544 86 rr_1nct 1 501 '3D + 0.4' 545 71 545 86 rr_1nct 1 502 3D 546 71 546 86 rr_1nct 1 503 3D 547 71 547 86 rr_1nct 1 504 3D 548 71 548 86 rr_1nct 1 505 3D 549 71 549 86 rr_1nct 1 506 3D 550 71 550 86 rr_1nct 1 507 3D 551 71 551 86 rr_1nct 1 508 3D 552 71 552 86 rr_1nct 1 509 3D 553 71 553 86 rr_1nct 1 510 3D 554 71 554 86 rr_1nct 1 511 3D 555 71 555 86 rr_1nct 1 512 '3D amide-alpha distances' 556 71 559 3 rr_1nct 1 513 3D 560 70 560 85 rr_1nct 1 514 3D 561 71 561 86 rr_1nct 1 515 3D 562 71 562 86 rr_1nct 1 516 3D 563 71 563 86 rr_1nct 1 517 3D 564 71 564 86 rr_1nct 1 518 3D 565 71 565 86 rr_1nct 1 519 3D 566 71 566 86 rr_1nct 1 520 3D 567 71 567 86 rr_1nct 1 521 3D 568 71 568 86 rr_1nct 1 522 3D 569 71 569 86 rr_1nct 1 523 3D 570 71 570 86 rr_1nct 1 524 3D 571 71 571 86 rr_1nct 1 525 3D 572 70 572 85 rr_1nct 1 526 3D 573 70 573 85 rr_1nct 1 527 3D 574 71 574 86 rr_1nct 1 528 3D 575 71 575 86 rr_1nct 1 529 3D 576 71 576 86 rr_1nct 1 530 3D 577 71 577 86 rr_1nct 1 531 3D 578 71 578 86 rr_1nct 1 532 3D 579 71 579 86 rr_1nct 1 533 3D 580 71 580 86 rr_1nct 1 534 '3D + 1.0' 581 71 581 86 rr_1nct 1 535 3D 582 71 582 86 rr_1nct 1 536 3D 583 71 583 86 rr_1nct 1 537 3D 584 71 584 86 rr_1nct 1 538 3D 585 71 585 86 rr_1nct 1 539 3D 586 71 586 86 rr_1nct 1 540 3D 587 71 587 86 rr_1nct 1 541 3D 588 71 588 86 rr_1nct 1 542 3D 589 71 589 86 rr_1nct 1 543 3D 590 71 590 86 rr_1nct 1 544 3D 591 71 591 86 rr_1nct 1 545 3D 592 71 592 86 rr_1nct 1 546 3D 593 71 593 86 rr_1nct 1 547 3D 594 72 594 87 rr_1nct 1 548 3D 595 71 595 86 rr_1nct 1 549 3D 596 71 596 86 rr_1nct 1 550 3D 597 71 597 86 rr_1nct 1 551 3D 598 71 598 86 rr_1nct 1 552 3D 599 71 599 86 rr_1nct 1 553 3D 600 71 600 86 rr_1nct 1 554 3D 601 71 601 86 rr_1nct 1 555 3D 602 71 602 86 rr_1nct 1 556 3D 603 71 603 86 rr_1nct 1 557 3D 604 70 604 85 rr_1nct 1 558 3D 605 71 605 86 rr_1nct 1 559 3D 606 71 606 86 rr_1nct 1 560 3D 607 71 607 86 rr_1nct 1 561 3D 608 71 608 86 rr_1nct 1 562 3D 609 71 609 86 rr_1nct 1 563 '3D alpha-alpha distances' 610 71 613 3 rr_1nct 1 564 '2D d2o' 614 71 614 86 rr_1nct 1 565 '2D d2o' 615 71 615 86 rr_1nct 1 566 '2D d2o' 616 71 616 86 rr_1nct 1 567 '2D d2o' 617 71 617 86 rr_1nct 1 568 '2D d2o' 618 71 618 86 rr_1nct 1 569 '2D d2o' 619 71 619 86 rr_1nct 1 570 '2D d2o' 620 71 620 86 rr_1nct 1 571 '2D d2o' 621 71 621 86 rr_1nct 1 572 '2D d2o' 622 71 622 86 rr_1nct 1 573 '2D d2o' 623 71 623 86 rr_1nct 1 574 '2D d2o' 624 71 624 86 rr_1nct 1 575 '2D d2o' 625 71 625 86 rr_1nct 1 576 '2D d2o' 626 71 626 86 rr_1nct 1 577 '2D d2o' 627 71 627 86 rr_1nct 1 578 '2D d2o' 628 71 628 86 rr_1nct 1 579 '2D d2o' 629 71 629 86 rr_1nct 1 580 '2D d2o' 630 71 630 86 rr_1nct 1 581 '2D d2o anything involving aromatics' 631 71 634 3 rr_1nct 1 582 3D 635 72 635 87 rr_1nct 1 583 3D 636 71 636 86 rr_1nct 1 584 3D 637 72 637 87 rr_1nct 1 585 3D 638 72 638 87 rr_1nct 1 586 3D 639 72 639 87 rr_1nct 1 587 3D 640 72 640 87 rr_1nct 1 588 3D 641 72 641 87 rr_1nct 1 589 3D 642 72 642 87 rr_1nct 1 590 3D 643 72 643 87 rr_1nct 1 591 3D 644 72 644 87 rr_1nct 1 592 3D 645 72 645 87 rr_1nct 1 593 3D 646 72 646 87 rr_1nct 1 594 3D 647 72 647 87 rr_1nct 1 595 3D 648 72 648 87 rr_1nct 1 596 3D 649 72 649 87 rr_1nct 1 597 3D 650 72 650 87 rr_1nct 1 598 3D 651 72 651 87 rr_1nct 1 599 3D 652 72 652 87 rr_1nct 1 600 3D 653 72 653 87 rr_1nct 1 601 3D 654 72 654 87 rr_1nct 1 602 3D 655 72 655 87 rr_1nct 1 603 3D 656 72 656 87 rr_1nct 1 604 3D 657 72 657 87 rr_1nct 1 605 3D 658 72 658 87 rr_1nct 1 606 3D 659 72 659 87 rr_1nct 1 607 '2D d2o' 660 72 660 83 rr_1nct 1 608 '2D d2o' 662 73 662 84 rr_1nct 1 609 '2D d2o' 664 73 664 84 rr_1nct 1 610 '2D d2o' 666 73 666 84 rr_1nct 1 611 '2D d2o' 668 73 668 84 rr_1nct 1 612 '3D d2o' 670 72 670 83 rr_1nct 1 613 '2D d2o' 672 72 672 83 rr_1nct 1 614 '2D d2o' 674 73 674 84 rr_1nct 1 615 '2D d2o' 676 73 676 84 rr_1nct 1 616 '2D d2o' 678 73 678 84 rr_1nct 1 617 '2D d2o' 680 73 680 88 rr_1nct 1 618 '2D d2o' 681 73 681 88 rr_1nct 1 619 '2D d2o' 682 72 682 83 rr_1nct 1 620 '2D d2o' 684 73 684 84 rr_1nct 1 621 '2D d2o' 686 73 686 84 rr_1nct 1 622 '2D d2o ?' 688 73 688 88 rr_1nct 1 623 '2D d2o' 689 73 689 88 rr_1nct 1 624 '2D d2o' 690 73 690 88 rr_1nct 1 625 '2D d2o' 691 72 691 87 rr_1nct 1 626 '2D d2o' 692 72 692 83 rr_1nct 1 627 '2D d2o' 694 72 694 83 rr_1nct 1 628 '2D d2o' 696 73 696 85 rr_1nct 1 629 '2D d2o ?' 698 73 698 88 rr_1nct 1 630 '2D d2o' 699 73 699 84 rr_1nct 1 631 '2D d2o ?' 701 73 701 88 rr_1nct 1 632 '2D d2o' 702 72 702 83 rr_1nct 1 633 '2D d2o' 704 74 704 86 rr_1nct 1 634 '2D d2o ?' 706 74 706 89 rr_1nct 1 635 '2D d2o +' 707 73 707 88 rr_1nct 1 636 '2D d2o' 708 73 708 88 rr_1nct 1 637 '2D d2o' 709 73 709 88 rr_1nct 1 638 '2D d2o ?' 710 72 710 87 rr_1nct 1 639 '2D d2o ?' 711 72 711 87 rr_1nct 1 640 '2D d2o' 712 73 712 84 rr_1nct 1 641 '2D d2o' 714 73 714 84 rr_1nct 1 642 '2D d2o' 716 72 716 83 rr_1nct 1 643 '2D d2o' 718 74 718 85 rr_1nct 1 644 '2D d2o ?' 720 74 720 89 rr_1nct 1 645 '2D d2o' 721 74 721 85 rr_1nct 1 646 '2D d2o' 723 74 723 85 rr_1nct 1 647 '2D d2o' 725 74 725 85 rr_1nct 1 648 3D 727 72 727 87 rr_1nct 1 649 3D 728 74 728 89 rr_1nct 1 650 '3D + 0.5' 729 72 729 87 rr_1nct 1 651 3D 730 73 730 88 rr_1nct 1 652 3D 731 74 731 89 rr_1nct 1 653 3D 732 74 732 89 rr_1nct 1 654 2D 733 73 733 88 rr_1nct 1 655 2D 734 73 734 88 rr_1nct 1 656 '2D d2o' 735 72 735 83 rr_1nct 1 657 '2D d2o ?' 737 72 737 87 rr_1nct 1 658 '2D d2o' 738 73 738 84 rr_1nct 1 659 '2D d2o' 740 73 740 84 rr_1nct 1 660 '2D d2o' 742 72 742 83 rr_1nct 1 661 '2D d2o' 744 74 744 85 rr_1nct 1 662 '2D d2o' 746 74 746 85 rr_1nct 1 663 3D 748 72 748 87 rr_1nct 1 664 '2D d2o' 749 74 749 85 rr_1nct 1 665 '2D d2o' 751 74 751 85 rr_1nct 1 666 '2D d2o' 753 72 753 83 rr_1nct 1 667 '2D d2o' 755 72 755 83 rr_1nct 1 668 '2D d2o' 757 72 757 83 rr_1nct 1 669 '2D d2o' 759 73 759 84 rr_1nct 1 670 '2D d2o' 761 73 761 84 rr_1nct 1 671 '2D d2o' 763 73 763 84 rr_1nct 1 672 '2D d2o' 765 73 765 88 rr_1nct 1 673 '2D d2o' 766 73 766 84 rr_1nct 1 674 '2D d2o' 768 73 768 84 rr_1nct 1 675 '2D d2o' 770 74 770 85 rr_1nct 1 676 '2D d2o' 772 74 772 85 rr_1nct 1 677 '2D d2o' 774 73 774 88 rr_1nct 1 678 '2D d2o' 775 72 775 83 rr_1nct 1 679 '2D d2o' 777 74 777 85 rr_1nct 1 680 '2D d2o' 779 74 779 85 rr_1nct 1 681 '2D d2o' 781 74 781 85 rr_1nct 1 682 '2D d2o' 783 72 783 83 rr_1nct 1 683 '2D d2o' 785 72 785 83 rr_1nct 1 684 '2D d2o' 787 72 787 83 rr_1nct 1 685 '2D d2o' 789 72 789 83 rr_1nct 1 686 '2D d2o' 791 73 791 84 rr_1nct 1 687 '2D d2o' 793 73 793 84 rr_1nct 1 688 '2D d2o' 795 73 795 84 rr_1nct 1 689 '2D d2o' 797 73 797 88 rr_1nct 1 690 '2D d2o' 798 73 798 84 rr_1nct 1 691 '2D d2o' 800 74 800 85 rr_1nct 1 692 '2D d2o' 802 74 802 85 rr_1nct 1 693 '2D d2o' 804 74 804 85 rr_1nct 1 694 '2D d2o' 806 72 806 87 rr_1nct 1 695 '2D d2o' 807 73 807 88 rr_1nct 1 696 '2D d2o' 808 72 808 83 rr_1nct 1 697 '2D d2o ?' 810 72 810 87 rr_1nct 1 698 '2D d2o' 811 73 811 84 rr_1nct 1 699 '2D d2o' 813 73 813 84 rr_1nct 1 700 '2D d2o' 815 72 815 83 rr_1nct 1 701 '2D d2o' 817 72 817 87 rr_1nct 1 702 '2D d2o' 818 72 818 83 rr_1nct 1 703 '2D d2o' 820 72 820 83 rr_1nct 1 704 '2D d2o' 822 73 822 84 rr_1nct 1 705 '2D d2o' 824 73 824 84 rr_1nct 1 706 '2D d2o' 826 73 826 84 rr_1nct 1 707 '2D d2o' 828 74 828 85 rr_1nct 1 708 '2D d2o' 830 74 830 85 rr_1nct 1 709 '2D d2o' 832 72 832 87 rr_1nct 1 710 '2D d2o' 833 73 833 88 rr_1nct 1 711 '2D d2o' 834 72 834 83 rr_1nct 1 712 '2D d2o' 836 73 836 84 rr_1nct 1 713 '2D d2o' 838 73 838 84 rr_1nct 1 714 '2D d2o' 840 72 840 83 rr_1nct 1 715 '2D d2o' 842 73 842 84 rr_1nct 1 716 '2D d2o' 844 72 844 83 rr_1nct 1 717 '2D d2o' 846 74 846 85 rr_1nct 1 718 '2D d2o' 848 74 848 87 rr_1nct 1 719 '2D d2o' 850 73 850 88 rr_1nct 1 720 '2D d2o' 851 73 851 88 rr_1nct 1 721 '2D d2o' 852 73 852 88 rr_1nct 1 722 '2D d2o' 853 72 853 83 rr_1nct 1 723 '2D d2o' 855 72 855 83 rr_1nct 1 724 '2D d2o ?' 857 72 857 87 rr_1nct 1 725 '2D d2o ?' 858 73 858 88 rr_1nct 1 726 '2D d2o' 859 74 859 85 rr_1nct 1 727 '2D d2o' 861 73 861 84 rr_1nct 1 728 '2D d2o' 863 73 863 85 rr_1nct 1 729 '2D d2o' 865 72 865 83 rr_1nct 1 730 '2D d2o' 867 72 867 83 rr_1nct 1 731 '2D d2o' 869 72 869 83 rr_1nct 1 732 '2D d2o' 871 73 871 84 rr_1nct 1 733 '2D d2o' 873 72 873 83 rr_1nct 1 734 '2D d2o' 875 74 875 85 rr_1nct 1 735 '2D d2o' 877 74 877 86 rr_1nct 1 736 '2D d2o' 879 74 879 85 rr_1nct 1 737 '2D d2o' 881 73 881 88 rr_1nct 1 738 '2D d2o' 882 73 882 84 rr_1nct 1 739 '2D d2o' 884 72 884 87 rr_1nct 1 740 '2D d2o ?' 885 72 885 87 rr_1nct 1 741 '2D d2o' 886 72 886 83 rr_1nct 1 742 '2D d2o' 888 73 888 84 rr_1nct 1 743 '2D d2o' 890 73 890 84 rr_1nct 1 744 '2D d2o' 892 73 892 84 rr_1nct 1 745 '2D d2o' 894 74 894 85 rr_1nct 1 746 '2D d2o' 896 72 896 85 rr_1nct 1 747 '2D d2o' 898 73 898 84 rr_1nct 1 748 '2D d2o' 900 74 900 89 rr_1nct 1 749 '2D d2o' 901 74 901 89 rr_1nct 1 750 '2D d2o' 902 72 902 87 rr_1nct 1 751 '2D d2o' 903 73 903 88 rr_1nct 1 752 '2D d2o' 904 73 904 84 rr_1nct 1 753 '2D d2o' 906 73 906 84 rr_1nct 1 754 '2D d2o' 908 72 908 83 rr_1nct 1 755 '2D d2o' 910 73 910 88 rr_1nct 1 756 '2D d2o' 911 73 911 88 rr_1nct 1 757 '2D d2o' 912 73 912 84 rr_1nct 1 758 '2D d2o' 914 74 914 85 rr_1nct 1 759 '2D d2o' 916 74 916 86 rr_1nct 1 760 '2D d2o' 918 72 918 87 rr_1nct 1 761 '2D d2o' 919 74 919 85 rr_1nct 1 762 '2D d2o' 921 74 921 85 rr_1nct 1 763 '2D d2o' 923 72 923 83 rr_1nct 1 764 '2D d2o' 925 72 925 83 rr_1nct 1 765 '2D d2o' 927 72 927 83 rr_1nct 1 766 '2D d2o' 929 73 929 84 rr_1nct 1 767 '2D d2o' 931 72 931 83 rr_1nct 1 768 '2D d2o' 933 73 933 88 rr_1nct 1 769 '2D d2o' 934 72 934 83 rr_1nct 1 770 '2D d2o' 936 73 936 88 rr_1nct 1 771 '2D d2o' 937 73 937 88 rr_1nct 1 772 '2D d2o' 938 73 938 84 rr_1nct 1 773 '2D d2o' 940 74 940 85 rr_1nct 1 774 '2D d2o' 942 72 942 83 rr_1nct 1 775 '2D d2o ?' 944 73 944 88 rr_1nct 1 776 '2D d2o' 945 73 945 84 rr_1nct 1 777 '2D d2o' 947 72 947 83 rr_1nct 1 778 '2D d2o any other backbone-sidechain distances' 949 74 953 3 rr_1nct 1 779 3D 954 70 954 85 rr_1nct 1 780 3D 955 71 955 86 rr_1nct 1 781 3D 956 71 956 86 rr_1nct 1 782 3D 957 71 957 86 rr_1nct 1 783 3D 958 71 958 86 rr_1nct 1 784 3D 959 71 959 86 rr_1nct 1 785 3D 960 71 960 86 rr_1nct 1 786 3D 961 71 961 86 rr_1nct 1 787 3D 962 71 962 86 rr_1nct 1 788 3D 963 72 963 87 rr_1nct 1 789 '2D d2o +' 964 71 964 86 rr_1nct 1 790 3D 965 71 965 86 rr_1nct 1 791 3D 966 72 966 87 rr_1nct 1 792 3D 967 72 967 87 rr_1nct 1 793 3D 968 72 968 87 rr_1nct 1 794 3D 969 72 969 87 rr_1nct 1 795 '2D d2o' 970 72 970 87 rr_1nct 1 796 '2D d2o +' 971 72 971 87 rr_1nct 1 797 '2D d2o' 972 72 972 87 rr_1nct 1 798 '2D d2o' 973 72 973 87 rr_1nct 1 799 '2D d2o +' 974 73 974 88 rr_1nct 1 800 '2D d2o' 975 71 975 86 rr_1nct 1 801 3D 976 73 976 88 rr_1nct 1 802 3D 977 73 977 88 rr_1nct 1 803 3D 978 71 978 86 rr_1nct 1 804 '2D d2o +' 979 73 979 88 rr_1nct 1 805 '2D d2o +' 980 73 980 88 rr_1nct 1 806 '3D + 0.1' 981 73 981 88 rr_1nct 1 807 3D 982 73 982 88 rr_1nct 1 808 3D 983 73 983 88 rr_1nct 1 809 3D 984 71 984 86 rr_1nct 1 810 3D 985 73 985 88 rr_1nct 1 811 3D 986 73 986 88 rr_1nct 1 812 3D 987 73 987 88 rr_1nct 1 813 3D 988 73 988 88 rr_1nct 1 814 3D 989 73 989 88 rr_1nct 1 815 3D 990 73 990 88 rr_1nct 1 816 3D 991 73 991 88 rr_1nct 1 817 3D 992 72 992 87 rr_1nct 1 818 3D 993 72 993 87 rr_1nct 1 819 3D 994 72 994 87 rr_1nct 1 820 '2D d2o +' 995 73 995 88 rr_1nct 1 821 3D 996 73 996 88 rr_1nct 1 822 '2D d2o' 997 72 997 87 rr_1nct 1 823 '2D d2o' 998 72 998 87 rr_1nct 1 824 '2D d2o' 999 71 999 86 rr_1nct 1 825 3D 1000 71 1000 86 rr_1nct 1 826 3D 1001 73 1001 88 rr_1nct 1 827 3D 1002 73 1002 88 rr_1nct 1 828 '2D d2o' 1003 72 1003 87 rr_1nct 1 829 '2D d2o' 1004 72 1004 87 rr_1nct 1 830 '2D d2o' 1005 72 1005 87 rr_1nct 1 831 '2D d2o' 1006 72 1006 87 rr_1nct 1 832 3D 1007 72 1007 87 rr_1nct 1 833 3D 1008 73 1008 88 rr_1nct 1 834 3D 1009 72 1009 87 rr_1nct 1 835 3D 1010 71 1010 86 rr_1nct 1 836 3D 1011 72 1011 87 rr_1nct 1 837 3D 1012 72 1012 87 rr_1nct 1 838 3D 1013 70 1013 85 rr_1nct 1 839 '2D d2o' 1014 72 1014 87 rr_1nct 1 840 '2D d2o' 1015 72 1015 87 rr_1nct 1 841 3D 1016 72 1016 87 rr_1nct 1 842 3D 1017 72 1017 87 rr_1nct 1 843 3D 1018 73 1018 88 rr_1nct 1 844 '2D d2o +' 1019 73 1019 88 rr_1nct 1 845 3D 1020 73 1020 88 rr_1nct 1 846 '2D d2o +' 1021 73 1021 88 rr_1nct 1 847 3D 1022 73 1022 88 rr_1nct 1 848 '2D + d2o' 1023 71 1023 86 rr_1nct 1 849 '2D d2o +' 1024 73 1024 88 rr_1nct 1 850 '2D d2o +' 1025 73 1025 88 rr_1nct 1 851 '2D d2o +' 1026 73 1026 88 rr_1nct 1 852 3D 1027 71 1027 86 rr_1nct 1 853 3D 1028 73 1028 88 rr_1nct 1 854 3D 1029 73 1029 88 rr_1nct 1 855 '2D d2o' 1030 71 1030 86 rr_1nct 1 856 '2D d2o +' 1031 73 1031 88 rr_1nct 1 857 3D 1032 73 1032 88 rr_1nct 1 858 '2D d2o +' 1033 73 1033 88 rr_1nct 1 859 3D 1034 73 1034 88 rr_1nct 1 860 2D 1035 74 1035 89 rr_1nct 1 861 3D 1036 73 1036 88 rr_1nct 1 862 2D 1037 73 1037 88 rr_1nct 1 863 '3D + 0.2' 1038 73 1038 88 rr_1nct 1 864 3D 1039 72 1039 87 rr_1nct 1 865 3D 1040 72 1040 87 rr_1nct 1 866 '2D d2o' 1041 73 1041 88 rr_1nct 1 867 '2D d2o' 1042 73 1042 88 rr_1nct 1 868 3D 1043 73 1043 88 rr_1nct 1 869 3D 1044 71 1044 86 rr_1nct 1 870 3D 1045 73 1045 88 rr_1nct 1 871 3D 1046 72 1046 87 rr_1nct 1 872 '2D from M' 1047 72 1047 87 rr_1nct 1 873 '2D d2o +' 1048 73 1048 88 rr_1nct 1 874 '3D + 1.0' 1049 72 1049 87 rr_1nct 1 875 3D 1050 71 1050 86 rr_1nct 1 876 3D 1051 72 1051 87 rr_1nct 1 877 3D 1052 73 1052 88 rr_1nct 1 878 3D 1053 73 1053 88 rr_1nct 1 879 3D 1054 73 1054 88 rr_1nct 1 880 '2D d2o' 1055 72 1055 87 rr_1nct 1 881 '2D d2o' 1056 72 1056 87 rr_1nct 1 882 '2D d2o +' 1057 73 1057 88 rr_1nct 1 883 '2D d2o +' 1058 73 1058 88 rr_1nct 1 884 3D 1059 73 1059 88 rr_1nct 1 885 '3D + 0.5' 1060 73 1060 88 rr_1nct 1 886 3D 1061 71 1061 86 rr_1nct 1 887 3D 1062 73 1062 88 rr_1nct 1 888 '2D d2o +' 1063 73 1063 88 rr_1nct 1 889 '2D d2o +' 1064 73 1064 88 rr_1nct 1 890 3D 1065 73 1065 88 rr_1nct 1 891 3D 1066 73 1066 88 rr_1nct 1 892 '2D d2o +' 1067 72 1067 87 rr_1nct 1 893 3D 1068 72 1068 87 rr_1nct 1 894 '2D d2o +' 1069 73 1069 88 rr_1nct 1 895 '2D d2o +' 1070 73 1070 88 rr_1nct 1 896 3D 1071 73 1071 88 rr_1nct 1 897 3D 1072 72 1072 87 rr_1nct 1 898 3D 1073 71 1073 86 rr_1nct 1 899 3D 1074 72 1074 87 rr_1nct 1 900 3D 1075 72 1075 87 rr_1nct 1 901 '3D + 1.0' 1076 72 1076 87 rr_1nct 1 902 3D 1077 73 1077 88 rr_1nct 1 903 3D 1078 73 1078 88 rr_1nct 1 904 3D 1079 73 1079 88 rr_1nct 1 905 3D 1080 73 1080 88 rr_1nct 1 906 3D 1081 73 1081 88 rr_1nct 1 907 3D 1082 73 1082 88 rr_1nct 1 908 3D 1083 73 1083 88 rr_1nct 1 909 3D 1084 73 1084 88 rr_1nct 1 910 3D 1085 74 1085 89 rr_1nct 1 911 3D 1086 73 1086 88 rr_1nct 1 912 '2D + 1.0' 1087 73 1087 88 rr_1nct 1 913 3D 1088 71 1088 86 rr_1nct 1 914 3D 1089 73 1089 88 rr_1nct 1 915 3D 1090 73 1090 88 rr_1nct 1 916 3D 1091 73 1091 88 rr_1nct 1 917 3D 1092 72 1092 87 rr_1nct 1 918 3D 1093 73 1093 88 rr_1nct 1 919 3D 1094 73 1094 88 rr_1nct 1 920 '2D d2o +' 1095 73 1095 88 rr_1nct 1 921 3D 1096 72 1096 87 rr_1nct 1 922 3D 1097 72 1097 87 rr_1nct 1 923 '2D d2o +' 1098 73 1098 88 rr_1nct 1 924 3D 1099 71 1099 86 rr_1nct 1 925 '2D d2o +' 1100 73 1100 88 rr_1nct 1 926 '2D d2o +' 1101 73 1101 88 rr_1nct 1 927 3D 1102 73 1102 88 rr_1nct 1 928 '2D d2o +' 1103 71 1103 86 rr_1nct 1 929 ; 3D 83 ASN HN 5 LEU QQD 7.80 # 3D ; 1104 72 1105 44 rr_1nct 1 930 3D 1106 71 1106 86 rr_1nct 1 931 3D 1107 71 1107 86 rr_1nct 1 932 3D 1108 71 1108 86 rr_1nct 1 933 3D 1109 72 1109 87 rr_1nct 1 934 3D 1110 71 1110 86 rr_1nct 1 935 3D 1111 71 1111 86 rr_1nct 1 936 '2D d2o +' 1112 72 1112 87 rr_1nct 1 937 '2D d2o +' 1113 71 1113 86 rr_1nct 1 938 '2D d2o +' 1114 72 1114 87 rr_1nct 1 939 3D 1115 72 1115 87 rr_1nct 1 940 '2D d2o' 1116 71 1116 86 rr_1nct 1 941 '2D d2o +' 1117 72 1117 87 rr_1nct 1 942 '2D d3o +' 1118 72 1118 87 rr_1nct 1 943 '2S d2o +' 1119 73 1119 88 rr_1nct 1 944 3D 1120 71 1120 86 rr_1nct 1 945 3D 1121 73 1121 88 rr_1nct 1 946 3D 1122 73 1122 88 rr_1nct 1 947 '2D d2o' 1123 72 1123 87 rr_1nct 1 948 '2D d2o' 1124 72 1124 87 rr_1nct 1 949 2D 1125 72 1125 87 rr_1nct 1 950 '2D d2o' 1126 72 1126 87 rr_1nct 1 951 '2D d2o' 1127 72 1127 87 rr_1nct 1 952 3D 1128 72 1128 87 rr_1nct 1 953 '2D d2o' 1129 72 1129 87 rr_1nct 1 954 3D 1130 72 1130 87 rr_1nct 1 955 3D 1131 72 1131 87 rr_1nct 1 956 '2D noes involving exchangable sidechain protons' 1132 72 1135 3 rr_1nct 1 957 3D 1136 71 1136 86 rr_1nct 1 958 3D 1137 71 1137 86 rr_1nct 1 959 3D 1138 71 1138 86 rr_1nct 1 960 3D 1139 71 1139 86 rr_1nct 1 961 3D 1140 69 1140 84 rr_1nct 1 962 '2D h2o' 1141 72 1141 87 rr_1nct 1 963 '2D h2o +' 1142 73 1142 88 rr_1nct 1 964 '2D h2o' 1143 72 1143 87 rr_1nct 1 965 3D 1144 73 1144 88 rr_1nct 1 966 2D 1145 72 1145 87 rr_1nct 1 967 2D 1146 72 1146 87 rr_1nct 1 968 '2D h2o +' 1147 73 1147 88 rr_1nct 1 969 '2D h2o' 1148 71 1148 86 rr_1nct 1 970 '2D h2o' 1149 71 1149 86 rr_1nct 1 971 '2D h2o +' 1150 73 1150 88 rr_1nct 1 972 '2D h2o +' 1151 73 1151 88 rr_1nct 1 973 '2D h2o +' 1152 73 1152 88 rr_1nct 1 974 '2D h2o' 1153 72 1153 87 rr_1nct 1 975 '2D h2o' 1154 71 1154 86 rr_1nct 1 976 '2D h2o' 1155 72 1155 87 rr_1nct 1 977 '2D h2o' 1156 72 1156 87 rr_1nct 1 978 '2D h2o' 1157 71 1157 86 rr_1nct 1 979 '2D h2o +' 1158 73 1158 88 rr_1nct 1 980 '2D h2o' 1159 73 1159 88 rr_1nct 1 981 3D 1160 75 1160 90 rr_1nct 1 982 3D 1161 75 1161 90 rr_1nct 1 983 3D 1162 75 1162 90 rr_1nct 1 984 3D 1163 75 1163 90 rr_1nct 1 985 3D 1164 75 1164 90 rr_1nct 1 986 3D 1165 75 1165 90 rr_1nct 1 987 3D 1166 75 1166 90 rr_1nct 1 988 3D 1167 74 1167 89 rr_1nct 1 989 3D 1168 73 1168 88 rr_1nct 1 990 3D 1169 72 1169 87 rr_1nct 1 991 3D 1170 74 1170 89 rr_1nct 1 992 3D 1171 72 1171 87 rr_1nct 1 993 '3D any other sidechain-sidechain distances' 1172 73 1175 3 rr_1nct 1 994 '2D d2o +' 1176 73 1176 88 rr_1nct 1 995 '2D d2o +' 1177 73 1177 88 rr_1nct 1 996 '2D d2o +' 1178 73 1178 88 rr_1nct 1 997 '2D d2o +' 1179 73 1179 88 rr_1nct 1 998 '2D from M' 1180 72 1180 87 rr_1nct 1 999 '2D d2o +' 1181 74 1181 89 rr_1nct 1 1000 '2D d2o +' 1182 74 1182 89 rr_1nct 1 1001 '2D d2o +' 1183 73 1183 88 rr_1nct 1 1002 '2D d2o +' 1184 74 1184 89 rr_1nct 1 1003 '2D d2o +' 1185 74 1185 89 rr_1nct 1 1004 '2D d2o +' 1186 73 1186 88 rr_1nct 1 1005 2D 1187 73 1187 88 rr_1nct 1 1006 2D 1188 73 1188 88 rr_1nct 1 1007 2D 1189 74 1189 89 rr_1nct 1 1008 2D 1190 74 1190 89 rr_1nct 1 1009 2D 1191 73 1191 88 rr_1nct 1 1010 '2D d2o' 1192 72 1192 87 rr_1nct 1 1011 '2D d2o' 1193 72 1193 87 rr_1nct 1 1012 2D 1194 73 1194 88 rr_1nct 1 1013 2D 1195 73 1195 88 rr_1nct 1 1014 '2D d2o +' 1196 75 1196 90 rr_1nct 1 1015 '2D d2o +' 1197 75 1197 90 rr_1nct 1 1016 '2D d2o +' 1198 75 1198 90 rr_1nct 1 1017 '2D d2o +' 1199 73 1199 88 rr_1nct 1 1018 '2D d2o +' 1200 73 1200 88 rr_1nct 1 1019 2D 1201 73 1201 88 rr_1nct 1 1020 2D 1202 75 1202 90 rr_1nct 1 1021 '2D d2o' 1203 71 1203 86 rr_1nct 1 1022 '2D d2o +' 1204 74 1204 89 rr_1nct 1 1023 '2D d2o +' 1205 74 1205 89 rr_1nct 1 1024 '2D d2o +' 1206 74 1206 89 rr_1nct 1 1025 '2D d2o +' 1207 74 1207 89 rr_1nct 1 1026 '2D d2o' 1208 73 1208 88 rr_1nct 1 1027 '2D d2o' 1209 73 1209 88 rr_1nct 1 1028 '2D d2o' 1210 73 1210 88 rr_1nct 1 1029 '2D d2o' 1211 73 1211 88 rr_1nct 1 1030 '2D d2o +' 1212 75 1212 90 rr_1nct 1 1031 '2D d2o +' 1213 74 1213 89 rr_1nct 1 1032 '2D d2o +' 1214 73 1214 88 rr_1nct 1 1033 '2D d2o +' 1215 73 1215 88 rr_1nct 1 1034 '2D d2o +' 1216 74 1216 89 rr_1nct 1 1035 '2D d3o +' 1217 74 1217 89 rr_1nct 1 1036 '2D d2o +' 1218 73 1218 88 rr_1nct 1 1037 '2D d2o +' 1219 75 1219 90 rr_1nct 1 1038 '2D d2o +' 1220 75 1220 90 rr_1nct 1 1039 '2D d2o +' 1221 73 1221 88 rr_1nct 1 1040 '2D d2o +' 1222 73 1222 88 rr_1nct 1 1041 '2D d2o +' 1223 73 1223 88 rr_1nct 1 1042 '2D d2o +' 1224 73 1224 88 rr_1nct 1 1043 '2D d2o +' 1225 74 1225 89 rr_1nct 1 1044 '2D d2o +' 1226 74 1226 89 rr_1nct 1 1045 '2D d2o +' 1227 74 1227 89 rr_1nct 1 1046 '2D d2o +' 1228 74 1228 89 rr_1nct 1 1047 '2D d2o +' 1229 74 1229 89 rr_1nct 1 1048 '2D d2o +' 1230 74 1230 89 rr_1nct 1 1049 '2D d2o +' 1231 74 1231 89 rr_1nct 1 1050 '2D d2o +' 1232 72 1232 87 rr_1nct 1 1051 '2D d2o +' 1233 72 1233 87 rr_1nct 1 1052 '2S d2o +' 1234 74 1234 89 rr_1nct 1 1053 '2D d2o +' 1235 75 1235 90 rr_1nct 1 1054 '2D d2o +' 1236 74 1236 89 rr_1nct 1 1055 '2D d2o +' 1237 75 1237 90 rr_1nct 1 1056 '2D d2o +' 1238 75 1238 90 rr_1nct 1 1057 '2D d2o +' 1239 74 1239 89 rr_1nct 1 1058 '2D d2o +' 1240 73 1240 88 rr_1nct 1 1059 '2D d2o +' 1241 72 1241 87 rr_1nct 1 1060 '2D d2o +' 1242 72 1243 3 rr_1nct 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 4 676 1 "Not handling restraint 676, item 1, resonance(s) ' .40.HZ1' (nmrStar names) not linked" rr_1nct 1 2 4 677 1 "Not handling restraint 677, item 1, resonance(s) ' .40.HZ1' (nmrStar names) not linked" rr_1nct 1 3 4 678 1 "Not handling restraint 678, item 1, resonance(s) ' .40.HZ1' (nmrStar names) not linked" rr_1nct 1 4 4 679 1 "Not handling restraint 679, item 1, resonance(s) ' .40.HZ1' (nmrStar names) not linked" rr_1nct 1 5 4 680 1 "Not handling restraint 680, item 1, resonance(s) ' .40.HZ1' (nmrStar names) not linked" rr_1nct 1 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_5 _Gen_dist_constraint_list.Entry_ID rr_1nct _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 5 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_1nct 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 1 103 103 THR H H . . . 1 1 24 24 MET O O . . . . . 2.7 0.2 2.85 . . . . . A . 88 THR H . . A . 9 MET O . . . 95 . HN . . . . . 16 . O . . rr_1nct 2 2 1 . . 1 1 24 24 MET O O . . . 1 1 103 103 THR N N . . . . . 3.7 1.2 3.85 . . . . . A . 9 MET O . . A . 88 THR N . . . 16 . O . . . . . 95 . N . . rr_1nct 2 3 1 . . 1 1 24 24 MET H H . . . 1 1 101 101 THR O O . . . . . 2.7 0.2 2.85 . . . . . A . 9 MET H . . A . 86 THR O . . . 16 . HN . . . . . 93 . O . . rr_1nct 2 4 1 . . 1 1 101 101 THR O O . . . 1 1 24 24 MET N N . . . . . 3.7 1.2 3.85 . . . . . A . 86 THR O . . A . 9 MET N . . . 93 . O . . . . . 16 . N . . rr_1nct 2 5 1 . . 1 1 26 26 VAL H H . . . 1 1 103 103 THR O O . . . . . 2.7 0.2 2.85 . . . . . A . 11 VAL H . . A . 88 THR O . . . 18 . HN . . . . . 95 . O . . rr_1nct 2 6 1 . . 1 1 103 103 THR O O . . . 1 1 26 26 VAL N N . . . . . 2.7 0.2 2.85 . . . . . A . 88 THR O . . A . 11 VAL N . . . 95 . O . . . . . 18 . N . . rr_1nct 2 7 1 . . 1 1 70 70 SER H H . . . 1 1 36 36 CYS O O . . . . . 2.7 0.2 2.85 . . . . . A . 55 SER H . . A . 21 CYS O . . . 62 . HN . . . . . 28 . O . . rr_1nct 2 8 1 . . 1 1 36 36 CYS O O . . . 1 1 70 70 SER N N . . . . . 3.7 1.2 3.85 . . . . . A . 21 CYS O . . A . 55 SER N . . . 28 . O . . . . . 62 . N . . rr_1nct 2 9 1 . . 1 1 36 36 CYS H H . . . 1 1 70 70 SER O O . . . . . 2.7 0.2 2.85 . . . . . A . 21 CYS H . . A . 55 SER O . . . 28 . HN . . . . . 62 . O . . rr_1nct 2 10 1 . . 1 1 70 70 SER O O . . . 1 1 36 36 CYS N N . . . . . 3.7 1.2 3.85 . . . . . A . 55 SER O . . A . 21 CYS N . . . 62 . O . . . . . 28 . N . . rr_1nct 2 11 1 . . 1 1 72 72 PHE H H . . . 1 1 34 34 PHE O O . . . . . 2.7 0.2 2.85 . . . . . A . 57 PHE H . . A . 19 PHE O . . . 64 . HN . . . . . 26 . O . . rr_1nct 2 12 1 . . 1 1 34 34 PHE O O . . . 1 1 72 72 PHE N N . . . . . 3.7 1.2 3.85 . . . . . A . 19 PHE O . . A . 57 PHE N . . . 26 . O . . . . . 64 . N . . rr_1nct 2 13 1 . . 1 1 34 34 PHE H H . . . 1 1 72 72 PHE O O . . . . . 2.7 0.2 2.85 . . . . . A . 19 PHE H . . A . 57 PHE O . . . 26 . HN . . . . . 64 . O . . rr_1nct 2 14 1 . . 1 1 72 72 PHE O O . . . 1 1 34 34 PHE N N . . . . . 3.7 1.2 3.85 . . . . . A . 57 PHE O . . A . 19 PHE N . . . 64 . O . . . . . 26 . N . . rr_1nct 2 15 1 . . 1 1 88 88 VAL H H . . . 1 1 47 47 THR O O . . . . . 2.7 0.2 2.85 . . . . . A . 73 VAL H . . A . 32 THR O . . . 80 . HN . . . . . 39 . O . . rr_1nct 2 16 1 . . 1 1 47 47 THR O O . . . 1 1 88 88 VAL N N . . . . . 3.7 1.2 3.85 . . . . . A . 32 THR O . . A . 73 VAL N . . . 39 . O . . . . . 80 . N . . rr_1nct 2 17 1 . . 1 1 47 47 THR H H . . . 1 1 88 88 VAL O O . . . . . 2.7 0.2 2.85 . . . . . A . 32 THR H . . A . 73 VAL O . . . 39 . HN . . . . . 80 . O . . rr_1nct 2 18 1 . . 1 1 88 88 VAL O O . . . 1 1 47 47 THR N N . . . . . 3.7 1.2 3.85 . . . . . A . 73 VAL O . . A . 32 THR N . . . 80 . O . . . . . 39 . N . . rr_1nct 2 19 1 . . 1 1 86 86 SER H H . . . 1 1 49 49 LEU O O . . . . . 2.7 0.2 2.85 . . . . . A . 71 SER H . . A . 34 LEU O . . . 78 . HN . . . . . 41 . O . . rr_1nct 2 20 1 . . 1 1 49 49 LEU O O . . . 1 1 86 86 SER N N . . . . . 3.7 1.2 3.85 . . . . . A . 34 LEU O . . A . 71 SER N . . . 41 . O . . . . . 78 . N . . rr_1nct 2 21 1 . . 1 1 49 49 LEU H H . . . 1 1 86 86 SER O O . . . . . 2.7 0.2 2.85 . . . . . A . 34 LEU H . . A . 71 SER O . . . 41 . HN . . . . . 78 . O . . rr_1nct 2 22 1 . . 1 1 86 86 SER O O . . . 1 1 49 49 LEU N N . . . . . 3.7 1.2 3.85 . . . . . A . 71 SER O . . A . 34 LEU N . . . 78 . O . . . . . 41 . N . . rr_1nct 2 23 1 . . 1 1 73 73 GLU H H . . . 1 1 62 62 GLN O O . . . . . 2.7 0.2 2.85 . . . . . A . 58 GLU H . . A . 47 GLN O . . . 65 . HN . . . . . 54 . O . . rr_1nct 2 24 1 . . 1 1 62 62 GLN O O . . . 1 1 73 73 GLU N N . . . . . 3.7 1.2 3.85 . . . . . A . 47 GLN O . . A . 58 GLU N . . . 54 . O . . . . . 65 . N . . rr_1nct 2 25 1 . . 1 1 62 62 GLN H H . . . 1 1 73 73 GLU O O . . . . . 2.7 0.2 2.85 . . . . . A . 47 GLN H . . A . 58 GLU O . . . 54 . HN . . . . . 65 . O . . rr_1nct 2 26 1 . . 1 1 73 73 GLU O O . . . 1 1 62 62 GLN N N . . . . . 3.7 1.2 3.85 . . . . . A . 58 GLU O . . A . 47 GLN N . . . 65 . O . . . . . 54 . N . . rr_1nct 2 27 1 . . 1 1 71 71 THR H H . . . 1 1 64 64 THR O O . . . . . 2.7 0.2 2.85 . . . . . A . 56 THR H . . A . 49 THR O . . . 63 . HN . . . . . 56 . O . . rr_1nct 2 28 1 . . 1 1 64 64 THR O O . . . 1 1 71 71 THR N N . . . . . 3.7 1.2 3.85 . . . . . A . 49 THR O . . A . 56 THR N . . . 56 . O . . . . . 63 . N . . rr_1nct 2 29 1 . . 1 1 64 64 THR H H . . . 1 1 71 71 THR O O . . . . . 2.7 0.2 2.85 . . . . . A . 49 THR H . . A . 56 THR O . . . 56 . HN . . . . . 63 . O . . rr_1nct 2 30 1 . . 1 1 71 71 THR O O . . . 1 1 64 64 THR N N . . . . . 2.7 0.2 2.85 . . . . . A . 56 THR O . . A . 49 THR N . . . 63 . O . . . . . 56 . N . . rr_1nct 2 31 1 . . 1 1 102 102 LEU H H . . . 1 1 83 83 GLY O O . . . . . 2.7 0.2 2.85 . . . . . A . 87 LEU H . . A . 68 GLY O . . . 94 . HN . . . . . 75 . O . . rr_1nct 2 32 1 . . 1 1 83 83 GLY O O . . . 1 1 102 102 LEU N N . . . . . 3.7 1.2 3.85 . . . . . A . 68 GLY O . . A . 87 LEU N . . . 75 . O . . . . . 94 . N . . rr_1nct 2 33 1 . . 1 1 100 100 PHE H H . . . 1 1 85 85 TYR O O . . . . . 2.7 0.2 2.85 . . . . . A . 85 PHE H . . A . 70 TYR O . . . 92 . HN . . . . . 77 . O . . rr_1nct 2 34 1 . . 1 1 85 85 TYR O O . . . 1 1 100 100 PHE N N . . . . . 3.7 1.2 3.85 . . . . . A . 70 TYR O . . A . 85 PHE N . . . 77 . O . . . . . 92 . N . . rr_1nct 2 35 1 . . 1 1 85 85 TYR H H . . . 1 1 100 100 PHE O O . . . . . 2.7 0.2 2.85 . . . . . A . 70 TYR H . . A . 85 PHE O . . . 77 . HN . . . . . 92 . O . . rr_1nct 2 36 1 . . 1 1 100 100 PHE O O . . . 1 1 85 85 TYR N N . . . . . 3.7 1.2 3.85 . . . . . A . 85 PHE O . . A . 70 TYR N . . . 92 . O . . . . . 77 . N . . rr_1nct 2 37 1 . . 1 1 98 98 ALA H H . . . 1 1 87 87 VAL O O . . . . . 2.7 0.2 2.85 . . . . . A . 83 ALA H . . A . 72 VAL O . . . 90 . HN . . . . . 79 . O . . rr_1nct 2 38 1 . . 1 1 87 87 VAL O O . . . 1 1 98 98 ALA N N . . . . . 3.7 1.2 3.85 . . . . . A . 72 VAL O . . A . 83 ALA N . . . 79 . O . . . . . 90 . N . . rr_1nct 2 39 1 . . 1 1 87 87 VAL H H . . . 1 1 98 98 ALA O O . . . . . 2.7 0.2 2.85 . . . . . A . 72 VAL H . . A . 83 ALA O . . . 79 . HN . . . . . 90 . O . . rr_1nct 2 40 1 . . 1 1 98 98 ALA O O . . . 1 1 87 87 VAL N N . . . . . 3.7 1.2 3.85 . . . . . A . 83 ALA O . . A . 72 VAL N . . . 90 . O . . . . . 79 . N . . rr_1nct 2 41 1 . . 1 1 96 96 GLN H H . . . 1 1 89 89 VAL O O . . . . . 2.7 0.2 2.85 . . . . . A . 81 GLN H . . A . 74 VAL O . . . 88 . HN . . . . . 81 . O . . rr_1nct 2 42 1 . . 1 1 89 89 VAL O O . . . 1 1 96 96 GLN N N . . . . . 3.7 1.2 3.85 . . . . . A . 74 VAL O . . A . 81 GLN N . . . 81 . O . . . . . 88 . N . . rr_1nct 2 43 1 . . 1 1 89 89 VAL H H . . . 1 1 96 96 GLN O O . . . . . 2.7 0.2 2.85 . . . . . A . 74 VAL H . . A . 81 GLN O . . . 81 . HN . . . . . 88 . O . . rr_1nct 2 44 1 . . 1 1 96 96 GLN O O . . . 1 1 89 89 VAL N N . . . . . 3.7 1.2 3.85 . . . . . A . 81 GLN O . . A . 74 VAL N . . . 88 . O . . . . . 81 . N . . rr_1nct 2 45 1 . . 1 1 94 94 GLY H H . . . 1 1 91 91 ASN O O . . . . . 2.7 0.2 2.85 . . . . . A . 79 GLY H . . A . 76 ASN O . . . 86 . HN . . . . . 83 . O . . rr_1nct 2 46 1 . . 1 1 91 91 ASN O O . . . 1 1 94 94 GLY N N . . . . . 3.7 1.2 3.85 . . . . . A . 76 ASN O . . A . 79 GLY N . . . 83 . O . . . . . 86 . N . . rr_1nct 2 47 1 . . 1 1 91 91 ASN H H . . . 1 1 94 94 GLY O O . . . . . 2.7 0.2 2.85 . . . . . A . 76 ASN H . . A . 79 GLY O . . . 83 . HN . . . . . 86 . O . . rr_1nct 2 48 1 . . 1 1 94 94 GLY O O . . . 1 1 91 91 ASN N N . . . . . 3.7 1.2 3.85 . . . . . A . 79 GLY O . . A . 76 ASN N . . . 86 . O . . . . . 83 . N . . rr_1nct 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 ; hydrogen bonds in beta sheets only those that involve protected HN groups! parallel beta sheet A'-G ; 1 1 5 3 rr_1nct 2 2 'antiparallel beta sheets' 11 69 14 3 rr_1nct 2 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Entry_ID rr_1nct _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 3 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_1nct 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 14 14 ALA C C . . 1 1 15 15 ALA N N . . 1 1 15 15 ALA CA C . . 1 1 15 15 ALA C C . -150.0 -90.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6 . C . . . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . rr_1nct 1 2 . . 1 1 15 15 ALA C C . . 1 1 16 16 ARG N N . . 1 1 16 16 ARG CA C . . 1 1 16 16 ARG C C . -150.0 -90.0 . . . . . . . . . . A . 1 ARG N . . A . 1 ARG CA . . A . 1 ARG C . . . 7 . C . . . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . rr_1nct 1 3 . . 1 1 16 16 ARG C C . . 1 1 17 17 ILE N N . . 1 1 17 17 ILE CA C . . 1 1 17 17 ILE C C . -150.0 -90.0 . . . A . 1 ARG C . . A . 2 ILE N . . A . 2 ILE CA . . A . 2 ILE C . . . 8 . C . . . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . rr_1nct 1 4 . . 1 1 17 17 ILE C C . . 1 1 18 18 LEU N N . . 1 1 18 18 LEU CA C . . 1 1 18 18 LEU C C . -150.0 -90.0 . . . A . 2 ILE C . . A . 3 LEU N . . A . 3 LEU CA . . A . 3 LEU C . . . 9 . C . . . . . 10 . N . . . . . 10 . CA . . . . . 10 . C . . rr_1nct 1 5 . . 1 1 18 18 LEU C C . . 1 1 19 19 THR N N . . 1 1 19 19 THR CA C . . 1 1 19 19 THR C C . -150.0 -90.0 . . . A . 3 LEU C . . A . 4 THR N . . A . 4 THR CA . . A . 4 THR C . . . 10 . C . . . . . 11 . N . . . . . 11 . CA . . . . . 11 . C . . rr_1nct 1 6 . . 1 1 21 21 PRO C C . . 1 1 22 22 ARG N N . . 1 1 22 22 ARG CA C . . 1 1 22 22 ARG C C . -150.0 -90.0 . . . A . 6 PRO C . . A . 7 ARG N . . A . 7 ARG CA . . A . 7 ARG C . . . 13 . C . . . . . 14 . N . . . . . 14 . CA . . . . . 14 . C . . rr_1nct 1 7 . . 1 1 24 24 MET C C . . 1 1 25 25 THR N N . . 1 1 25 25 THR CA C . . 1 1 25 25 THR C C . -150.0 -90.0 . . . A . 9 MET C . . A . 10 THR N . . A . 10 THR CA . . A . 10 THR C . . . 16 . C . . . . . 17 . N . . . . . 17 . CA . . . . . 17 . C . . rr_1nct 1 8 . . 1 1 25 25 THR C C . . 1 1 26 26 VAL N N . . 1 1 26 26 VAL CA C . . 1 1 26 26 VAL C C . -150.0 -90.0 . . . A . 10 THR C . . A . 11 VAL N . . A . 11 VAL CA . . A . 11 VAL C . . . 17 . C . . . . . 18 . N . . . . . 18 . CA . . . . . 18 . C . . rr_1nct 1 9 . . 1 1 26 26 VAL C C . . 1 1 27 27 TYR N N . . 1 1 27 27 TYR CA C . . 1 1 27 27 TYR C C . -150.0 -90.0 . . . A . 11 VAL C . . A . 12 TYR N . . A . 12 TYR CA . . A . 12 TYR C . . . 18 . C . . . . . 19 . N . . . . . 19 . CA . . . . . 19 . C . . rr_1nct 1 10 . . 1 1 31 31 SER C C . . 1 1 32 32 ALA N N . . 1 1 32 32 ALA CA C . . 1 1 32 32 ALA C C . -150.0 -90.0 . . . A . 16 SER C . . A . 17 ALA N . . A . 17 ALA CA . . A . 17 ALA C . . . 23 . C . . . . . 24 . N . . . . . 24 . CA . . . . . 24 . C . . rr_1nct 1 11 . . 1 1 32 32 ALA C C . . 1 1 33 33 ARG N N . . 1 1 33 33 ARG CA C . . 1 1 33 33 ARG C C . -150.0 -90.0 . . . A . 17 ALA C . . A . 18 ARG N . . A . 18 ARG CA . . A . 18 ARG C . . . 24 . C . . . . . 25 . N . . . . . 25 . CA . . . . . 25 . C . . rr_1nct 1 12 . . 1 1 34 34 PHE C C . . 1 1 35 35 SER N N . . 1 1 35 35 SER CA C . . 1 1 35 35 SER C C . -150.0 -90.0 . . . A . 19 PHE C . . A . 20 SER N . . A . 20 SER CA . . A . 20 SER C . . . 26 . C . . . . . 27 . N . . . . . 27 . CA . . . . . 27 . C . . rr_1nct 1 13 . . 1 1 35 35 SER C C . . 1 1 36 36 CYS N N . . 1 1 36 36 CYS CA C . . 1 1 36 36 CYS C C . -150.0 -90.0 . . . A . 20 SER C . . A . 21 CYS N . . A . 21 CYS CA . . A . 21 CYS C . . . 27 . C . . . . . 28 . N . . . . . 28 . CA . . . . . 28 . C . . rr_1nct 1 14 . . 1 1 36 36 CYS C C . . 1 1 37 37 ASP N N . . 1 1 37 37 ASP CA C . . 1 1 37 37 ASP C C . -150.0 -90.0 . . . A . 21 CYS C . . A . 22 ASP N . . A . 22 ASP CA . . A . 22 ASP C . . . 28 . C . . . . . 29 . N . . . . . 29 . CA . . . . . 29 . C . . rr_1nct 1 15 . . 1 1 37 37 ASP C C . . 1 1 38 38 THR N N . . 1 1 38 38 THR CA C . . 1 1 38 38 THR C C . -150.0 -90.0 . . . A . 22 ASP C . . A . 23 THR N . . A . 23 THR CA . . A . 23 THR C . . . 29 . C . . . . . 30 . N . . . . . 30 . CA . . . . . 30 . C . . rr_1nct 1 16 . . 1 1 44 44 PRO C C . . 1 1 45 45 THR N N . . 1 1 45 45 THR CA C . . 1 1 45 45 THR C C . -150.0 -90.0 . . . A . 29 PRO C . . A . 30 THR N . . A . 30 THR CA . . A . 30 THR C . . . 36 . C . . . . . 37 . N . . . . . 37 . CA . . . . . 37 . C . . rr_1nct 1 17 . . 1 1 45 45 THR C C . . 1 1 46 46 VAL N N . . 1 1 46 46 VAL CA C . . 1 1 46 46 VAL C C . -150.0 -90.0 . . . A . 30 THR C . . A . 31 VAL N . . A . 31 VAL CA . . A . 31 VAL C . . . 37 . C . . . . . 38 . N . . . . . 38 . CA . . . . . 38 . C . . rr_1nct 1 18 . . 1 1 47 47 THR C C . . 1 1 48 48 TRP N N . . 1 1 48 48 TRP CA C . . 1 1 48 48 TRP C C . -150.0 -90.0 . . . A . 32 THR C . . A . 33 TRP N . . A . 33 TRP CA . . A . 33 TRP C . . . 39 . C . . . . . 40 . N . . . . . 40 . CA . . . . . 40 . C . . rr_1nct 1 19 . . 1 1 48 48 TRP C C . . 1 1 49 49 LEU N N . . 1 1 49 49 LEU CA C . . 1 1 49 49 LEU C C . -150.0 -90.0 . . . A . 33 TRP C . . A . 34 LEU N . . A . 34 LEU CA . . A . 34 LEU C . . . 40 . C . . . . . 41 . N . . . . . 41 . CA . . . . . 41 . C . . rr_1nct 1 20 . . 1 1 49 49 LEU C C . . 1 1 50 50 ARG N N . . 1 1 50 50 ARG CA C . . 1 1 50 50 ARG C C . -160.0 -80.0 . . . A . 34 LEU C . . A . 35 ARG N . . A . 35 ARG CA . . A . 35 ARG C . . . 41 . C . . . . . 42 . N . . . . . 42 . CA . . . . . 42 . C . . rr_1nct 1 21 . . 1 1 61 61 HIS C C . . 1 1 62 62 GLN N N . . 1 1 62 62 GLN CA C . . 1 1 62 62 GLN C C . -150.0 -90.0 . . . A . 46 HIS C . . A . 47 GLN N . . A . 47 GLN CA . . A . 47 GLN C . . . 53 . C . . . . . 54 . N . . . . . 54 . CA . . . . . 54 . C . . rr_1nct 1 22 . . 1 1 62 62 GLN C C . . 1 1 63 63 VAL N N . . 1 1 63 63 VAL CA C . . 1 1 63 63 VAL C C . -150.0 -90.0 . . . A . 47 GLN C . . A . 48 VAL N . . A . 48 VAL CA . . A . 48 VAL C . . . 54 . C . . . . . 55 . N . . . . . 55 . CA . . . . . 55 . C . . rr_1nct 1 23 . . 1 1 63 63 VAL C C . . 1 1 64 64 THR N N . . 1 1 64 64 THR CA C . . 1 1 64 64 THR C C . -150.0 -90.0 . . . A . 48 VAL C . . A . 49 THR N . . A . 49 THR CA . . A . 49 THR C . . . 55 . C . . . . . 56 . N . . . . . 56 . CA . . . . . 56 . C . . rr_1nct 1 24 . . 1 1 64 64 THR C C . . 1 1 65 65 THR N N . . 1 1 65 65 THR CA C . . 1 1 65 65 THR C C . -150.0 -90.0 . . . A . 49 THR C . . A . 50 THR N . . A . 50 THR CA . . A . 50 THR C . . . 56 . C . . . . . 57 . N . . . . . 57 . CA . . . . . 57 . C . . rr_1nct 1 25 . . 1 1 65 65 THR C C . . 1 1 66 66 THR N N . . 1 1 66 66 THR CA C . . 1 1 66 66 THR C C . -150.0 -90.0 . . . A . 50 THR C . . A . 51 THR N . . A . 51 THR CA . . A . 51 THR C . . . 57 . C . . . . . 58 . N . . . . . 58 . CA . . . . . 58 . C . . rr_1nct 1 26 . . 1 1 68 68 TYR C C . . 1 1 69 69 LYS N N . . 1 1 69 69 LYS CA C . . 1 1 69 69 LYS C C . -150.0 -90.0 . . . A . 53 TYR C . . A . 54 LYS N . . A . 54 LYS CA . . A . 54 LYS C . . . 60 . C . . . . . 61 . N . . . . . 61 . CA . . . . . 61 . C . . rr_1nct 1 27 . . 1 1 69 69 LYS C C . . 1 1 70 70 SER N N . . 1 1 70 70 SER CA C . . 1 1 70 70 SER C C . -150.0 -90.0 . . . A . 54 LYS C . . A . 55 SER N . . A . 55 SER CA . . A . 55 SER C . . . 61 . C . . . . . 62 . N . . . . . 62 . CA . . . . . 62 . C . . rr_1nct 1 28 . . 1 1 70 70 SER C C . . 1 1 71 71 THR N N . . 1 1 71 71 THR CA C . . 1 1 71 71 THR C C . -150.0 -90.0 . . . A . 55 SER C . . A . 56 THR N . . A . 56 THR CA . . A . 56 THR C . . . 62 . C . . . . . 63 . N . . . . . 63 . CA . . . . . 63 . C . . rr_1nct 1 29 . . 1 1 71 71 THR C C . . 1 1 72 72 PHE N N . . 1 1 72 72 PHE CA C . . 1 1 72 72 PHE C C . -150.0 -90.0 . . . A . 56 THR C . . A . 57 PHE N . . A . 57 PHE CA . . A . 57 PHE C . . . 63 . C . . . . . 64 . N . . . . . 64 . CA . . . . . 64 . C . . rr_1nct 1 30 . . 1 1 72 72 PHE C C . . 1 1 73 73 GLU N N . . 1 1 73 73 GLU CA C . . 1 1 73 73 GLU C C . -150.0 -90.0 . . . A . 57 PHE C . . A . 58 GLU N . . A . 58 GLU CA . . A . 58 GLU C . . . 64 . C . . . . . 65 . N . . . . . 65 . CA . . . . . 65 . C . . rr_1nct 1 31 . . 1 1 73 73 GLU C C . . 1 1 74 74 ILE N N . . 1 1 74 74 ILE CA C . . 1 1 74 74 ILE C C . -150.0 -90.0 . . . A . 58 GLU C . . A . 59 ILE N . . A . 59 ILE CA . . A . 59 ILE C . . . 65 . C . . . . . 66 . N . . . . . 66 . CA . . . . . 66 . C . . rr_1nct 1 32 . . 1 1 74 74 ILE C C . . 1 1 75 75 SER N N . . 1 1 75 75 SER CA C . . 1 1 75 75 SER C C . -150.0 -90.0 . . . A . 59 ILE C . . A . 60 SER N . . A . 60 SER CA . . A . 60 SER C . . . 66 . C . . . . . 67 . N . . . . . 67 . CA . . . . . 67 . C . . rr_1nct 1 33 . . 1 1 82 82 GLU C C . . 1 1 83 83 GLY N N . . 1 1 83 83 GLY CA C . . 1 1 83 83 GLY C C . -150.0 -90.0 . . . A . 67 GLU C . . A . 68 GLY N . . A . 68 GLY CA . . A . 68 GLY C . . . 74 . C . . . . . 75 . N . . . . . 75 . CA . . . . . 75 . C . . rr_1nct 1 34 . . 1 1 83 83 GLY C C . . 1 1 84 84 ASN N N . . 1 1 84 84 ASN CA C . . 1 1 84 84 ASN C C . -150.0 -90.0 . . . A . 68 GLY C . . A . 69 ASN N . . A . 69 ASN CA . . A . 69 ASN C . . . 75 . C . . . . . 76 . N . . . . . 76 . CA . . . . . 76 . C . . rr_1nct 1 35 . . 1 1 84 84 ASN C C . . 1 1 85 85 TYR N N . . 1 1 85 85 TYR CA C . . 1 1 85 85 TYR C C . -150.0 -90.0 . . . A . 69 ASN C . . A . 70 TYR N . . A . 70 TYR CA . . A . 70 TYR C . . . 76 . C . . . . . 77 . N . . . . . 77 . CA . . . . . 77 . C . . rr_1nct 1 36 . . 1 1 85 85 TYR C C . . 1 1 86 86 SER N N . . 1 1 86 86 SER CA C . . 1 1 86 86 SER C C . -150.0 -90.0 . . . A . 70 TYR C . . A . 71 SER N . . A . 71 SER CA . . A . 71 SER C . . . 77 . C . . . . . 78 . N . . . . . 78 . CA . . . . . 78 . C . . rr_1nct 1 37 . . 1 1 86 86 SER C C . . 1 1 87 87 VAL N N . . 1 1 87 87 VAL CA C . . 1 1 87 87 VAL C C . -150.0 -90.0 . . . A . 71 SER C . . A . 72 VAL N . . A . 72 VAL CA . . A . 72 VAL C . . . 78 . C . . . . . 79 . N . . . . . 79 . CA . . . . . 79 . C . . rr_1nct 1 38 . . 1 1 87 87 VAL C C . . 1 1 88 88 VAL N N . . 1 1 88 88 VAL CA C . . 1 1 88 88 VAL C C . -150.0 -90.0 . . . A . 72 VAL C . . A . 73 VAL N . . A . 73 VAL CA . . A . 73 VAL C . . . 79 . C . . . . . 80 . N . . . . . 80 . CA . . . . . 80 . C . . rr_1nct 1 39 . . 1 1 87 87 VAL C C . . 1 1 88 88 VAL N N . . 1 1 88 88 VAL CA C . . 1 1 88 88 VAL C C . -150.0 -90.0 . . . A . 72 VAL C . . A . 73 VAL N . . A . 73 VAL CA . . A . 73 VAL C . . . 79 . C . . . . . 80 . N . . . . . 80 . CA . . . . . 80 . C . . rr_1nct 1 40 . . 1 1 88 88 VAL C C . . 1 1 89 89 VAL N N . . 1 1 89 89 VAL CA C . . 1 1 89 89 VAL C C . -150.0 -90.0 . . . A . 73 VAL C . . A . 74 VAL N . . A . 74 VAL CA . . A . 74 VAL C . . . 80 . C . . . . . 81 . N . . . . . 81 . CA . . . . . 81 . C . . rr_1nct 1 41 . . 1 1 95 95 LYS C C . . 1 1 96 96 GLN N N . . 1 1 96 96 GLN CA C . . 1 1 96 96 GLN C C . -150.0 -90.0 . . . A . 80 LYS C . . A . 81 GLN N . . A . 81 GLN CA . . A . 81 GLN C . . . 87 . C . . . . . 88 . N . . . . . 88 . CA . . . . . 88 . C . . rr_1nct 1 42 . . 1 1 96 96 GLN C C . . 1 1 97 97 GLU N N . . 1 1 97 97 GLU CA C . . 1 1 97 97 GLU C C . -150.0 -90.0 . . . A . 81 GLN C . . A . 82 GLU N . . A . 82 GLU CA . . A . 82 GLU C . . . 88 . C . . . . . 89 . N . . . . . 89 . CA . . . . . 89 . C . . rr_1nct 1 43 . . 1 1 98 98 ALA C C . . 1 1 99 99 GLU N N . . 1 1 99 99 GLU CA C . . 1 1 99 99 GLU C C . -150.0 -90.0 . . . A . 83 ALA C . . A . 84 GLU N . . A . 84 GLU CA . . A . 84 GLU C . . . 90 . C . . . . . 91 . N . . . . . 91 . CA . . . . . 91 . C . . rr_1nct 1 44 . . 1 1 100 100 PHE C C . . 1 1 101 101 THR N N . . 1 1 101 101 THR CA C . . 1 1 101 101 THR C C . -150.0 -90.0 . . . A . 85 PHE C . . A . 86 THR N . . A . 86 THR CA . . A . 86 THR C . . . 92 . C . . . . . 93 . N . . . . . 93 . CA . . . . . 93 . C . . rr_1nct 1 45 . . 1 1 101 101 THR C C . . 1 1 102 102 LEU N N . . 1 1 102 102 LEU CA C . . 1 1 102 102 LEU C C . -150.0 -90.0 . . . A . 86 THR C . . A . 87 LEU N . . A . 87 LEU CA . . A . 87 LEU C . . . 93 . C . . . . . 94 . N . . . . . 94 . CA . . . . . 94 . C . . rr_1nct 1 46 . . 1 1 102 102 LEU C C . . 1 1 103 103 THR N N . . 1 1 103 103 THR CA C . . 1 1 103 103 THR C C . -150.0 -90.0 . . . A . 87 LEU C . . A . 88 THR N . . A . 88 THR CA . . A . 88 THR C . . . 94 . C . . . . . 95 . N . . . . . 95 . CA . . . . . 95 . C . . rr_1nct 1 47 . . 1 1 103 103 THR C C . . 1 1 104 104 ILE N N . . 1 1 104 104 ILE CA C . . 1 1 104 104 ILE C C . -150.0 -90.0 . . . A . 88 THR C . . A . 89 ILE N . . A . 89 ILE CA . . A . 89 ILE C . . . 95 . C . . . . . 96 . N . . . . . 96 . CA . . . . . 96 . C . . rr_1nct 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 '! A-1' 1 3 1 12 rr_1nct 1 2 '! R1' 6 3 6 11 rr_1nct 1 3 '! I2' 11 3 11 11 rr_1nct 1 4 '! L3' 16 3 16 11 rr_1nct 1 5 '! T4' 21 3 21 11 rr_1nct 1 6 '! R7' 27 3 27 11 rr_1nct 1 7 '! T10' 33 3 33 12 rr_1nct 1 8 '! V11' 39 3 39 12 rr_1nct 1 9 '! Y12' 45 3 45 12 rr_1nct 1 10 '! A17' 51 3 51 12 rr_1nct 1 11 '! R18' 57 3 57 12 rr_1nct 1 12 '! S20' 63 3 63 12 rr_1nct 1 13 '! C21' 69 3 69 12 rr_1nct 1 14 '! D22' 75 3 75 12 rr_1nct 1 15 '! T23' 81 3 81 12 rr_1nct 1 16 '! T30' 87 3 87 12 rr_1nct 1 17 '! V31' 93 3 93 12 rr_1nct 1 18 '! W33' 99 3 99 12 rr_1nct 1 19 '! L34' 105 3 105 12 rr_1nct 1 20 '! R35' 111 3 111 12 rr_1nct 1 21 '! Q47' 117 3 117 12 rr_1nct 1 22 '! V48' 123 3 123 12 rr_1nct 1 23 '! T49' 129 3 129 12 rr_1nct 1 24 '! T50' 135 3 135 12 rr_1nct 1 25 '! T51' 141 3 141 12 rr_1nct 1 26 '! K54' 147 3 147 12 rr_1nct 1 27 '! S55' 153 3 153 12 rr_1nct 1 28 '! T56' 159 3 159 12 rr_1nct 1 29 '! F57' 165 3 165 12 rr_1nct 1 30 '! E58' 171 3 171 12 rr_1nct 1 31 '! I59' 177 3 177 12 rr_1nct 1 32 '! S60' 183 3 183 12 rr_1nct 1 33 '! G68' 189 3 189 12 rr_1nct 1 34 '! N69' 195 3 195 12 rr_1nct 1 35 '! Y70' 201 3 201 12 rr_1nct 1 36 '! S71' 207 3 207 12 rr_1nct 1 37 '! V72' 213 3 213 12 rr_1nct 1 38 '! V73' 219 3 219 11 rr_1nct 1 39 '! V74' 225 3 225 11 rr_1nct 1 40 '! E75' 231 3 231 11 rr_1nct 1 41 '! Q81' 237 3 237 11 rr_1nct 1 42 '! E82' 243 3 243 11 rr_1nct 1 43 '! E84' 249 3 249 11 rr_1nct 1 44 '! T86' 255 3 255 11 rr_1nct 1 45 '! L87' 261 3 261 11 rr_1nct 1 46 '! T88' 267 3 267 11 rr_1nct 1 47 '! I89' 273 3 273 11 rr_1nct 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_1nct _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 MUSCLE PROTEIN 13-AUG-96 1NCT *TITLE TITIN MODULE M5, N-TERMINALLY EXTENDED, NMR *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: TITIN; *COMPND 3 CHAIN: NULL; *COMPND 4 FRAGMENT: N-TERMINALLY EXTENDED MODULE M5; *COMPND 4 SYNONYM: CONNECTIN, NEXTM5; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 3 ORGANISM_COMMON: HUMAN; *SOURCE 4 TISSUE: CARDIAC MUSCLE; *SOURCE 5 ORGANELLE: CYTOPLASMA/SARCOMERE; *SOURCE 6 PLASMID: PET8C; *SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 PLYS *KEYWDS CELL ADHESION, GLYCOPROTEIN, TRANSMEMBRANE, REPEAT, BRAIN, *KEYWDS 2 IMMUNOGLOBULIN FOLD, ALTERNATIVE SPLICING, SIGNAL, *KEYWDS 3 MUSCLE PROTEIN *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR M.PFUHL,A.PASTORE *REVDAT 1 08-NOV-96 1NCT 0' save_ save_MR_file_comment_2 _Org_constr_file_comment.Sf_framecode MR_file_comment_2 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1nct _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 2 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; ! dihedral restraints for the phi angle ! in next m5 based on Jhnha couplings from a ! 15N HMQC-J at T=310 K 14.7.95 ! a total of 87 out of 95 possible Jhnha values have been ! measured. Of these 45 could be converted into dihedral ! angle restraints by correlation with beta sheet noes ! ! if Jhnha > 8.8 Hz and beta strand NOEs => phi = -120.0 ! set message=off echo=off end restraints dihedral reset ; save_