data_36061 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36061 _Entry.Title ; Ligand induced structure of AmyP-SBD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-02-17 _Entry.Accession_date 2017-04-19 _Entry.Last_release_date 2017-04-19 _Entry.Original_release_date 2017-04-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 X. Li X. . . . 36061 2 J. Yu J. . . . 36061 3 H. Sun H. . . . 36061 4 X. Zhang X. . . . 36061 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Alpha-amylase . 36061 HYDROLASE . 36061 'Ligand induced structure' . 36061 'Starch binding domain' . 36061 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36061 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 530 36061 '15N chemical shifts' 151 36061 '1H chemical shifts' 944 36061 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-06-20 . original BMRB . 36061 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5X5S 'BMRB Entry Tracking System' 36061 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36061 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Ligand binding induced folding of a novel CBM69 starch binding domain ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 X. Li X. . . . 36061 1 2 J. Yu J. . . . 36061 1 3 X. Tu X. . . . 36061 1 4 H. Sun H. . . . 36061 1 5 H. Peng H. . . . 36061 1 6 X. Zhang X. . . . 36061 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36061 _Assembly.ID 1 _Assembly.Name AmyP-SBD _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 entity_1 1 $entity_1 A A yes . . . . . . 36061 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 entity_1 1 CYS 28 28 SG . 1 entity_1 1 CYS 148 148 SG . . 28 CYS . . . 148 CYS . 36061 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 28 28 HG . 28 . . 36061 1 2 . 1 1 CYS 148 148 HG . 148 . . 36061 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36061 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TPSASGLTKVATVSAASSLI GEGFMAQCDNPTIEGDGPIG KTLYVVGDFADASWKQKPHR AYRYVGENTYQAVVDEKAGA FRMQYASKDWSPQFTADGLE LTPGKTASLKRGGYGQDTAV TLPEAGQYVWSLKFTDSGDP EQIMVSKCPLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 157 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP RESIDUES 491-639' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17023.881 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Putative amylase' na 36061 1 stop_ 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 1 THR . 36061 1 2 2 PRO . 36061 1 3 3 SER . 36061 1 4 4 ALA . 36061 1 5 5 SER . 36061 1 6 6 GLY . 36061 1 7 7 LEU . 36061 1 8 8 THR . 36061 1 9 9 LYS . 36061 1 10 10 VAL . 36061 1 11 11 ALA . 36061 1 12 12 THR . 36061 1 13 13 VAL . 36061 1 14 14 SER . 36061 1 15 15 ALA . 36061 1 16 16 ALA . 36061 1 17 17 SER . 36061 1 18 18 SER . 36061 1 19 19 LEU . 36061 1 20 20 ILE . 36061 1 21 21 GLY . 36061 1 22 22 GLU . 36061 1 23 23 GLY . 36061 1 24 24 PHE . 36061 1 25 25 MET . 36061 1 26 26 ALA . 36061 1 27 27 GLN . 36061 1 28 28 CYS . 36061 1 29 29 ASP . 36061 1 30 30 ASN . 36061 1 31 31 PRO . 36061 1 32 32 THR . 36061 1 33 33 ILE . 36061 1 34 34 GLU . 36061 1 35 35 GLY . 36061 1 36 36 ASP . 36061 1 37 37 GLY . 36061 1 38 38 PRO . 36061 1 39 39 ILE . 36061 1 40 40 GLY . 36061 1 41 41 LYS . 36061 1 42 42 THR . 36061 1 43 43 LEU . 36061 1 44 44 TYR . 36061 1 45 45 VAL . 36061 1 46 46 VAL . 36061 1 47 47 GLY . 36061 1 48 48 ASP . 36061 1 49 49 PHE . 36061 1 50 50 ALA . 36061 1 51 51 ASP . 36061 1 52 52 ALA . 36061 1 53 53 SER . 36061 1 54 54 TRP . 36061 1 55 55 LYS . 36061 1 56 56 GLN . 36061 1 57 57 LYS . 36061 1 58 58 PRO . 36061 1 59 59 HIS . 36061 1 60 60 ARG . 36061 1 61 61 ALA . 36061 1 62 62 TYR . 36061 1 63 63 ARG . 36061 1 64 64 TYR . 36061 1 65 65 VAL . 36061 1 66 66 GLY . 36061 1 67 67 GLU . 36061 1 68 68 ASN . 36061 1 69 69 THR . 36061 1 70 70 TYR . 36061 1 71 71 GLN . 36061 1 72 72 ALA . 36061 1 73 73 VAL . 36061 1 74 74 VAL . 36061 1 75 75 ASP . 36061 1 76 76 GLU . 36061 1 77 77 LYS . 36061 1 78 78 ALA . 36061 1 79 79 GLY . 36061 1 80 80 ALA . 36061 1 81 81 PHE . 36061 1 82 82 ARG . 36061 1 83 83 MET . 36061 1 84 84 GLN . 36061 1 85 85 TYR . 36061 1 86 86 ALA . 36061 1 87 87 SER . 36061 1 88 88 LYS . 36061 1 89 89 ASP . 36061 1 90 90 TRP . 36061 1 91 91 SER . 36061 1 92 92 PRO . 36061 1 93 93 GLN . 36061 1 94 94 PHE . 36061 1 95 95 THR . 36061 1 96 96 ALA . 36061 1 97 97 ASP . 36061 1 98 98 GLY . 36061 1 99 99 LEU . 36061 1 100 100 GLU . 36061 1 101 101 LEU . 36061 1 102 102 THR . 36061 1 103 103 PRO . 36061 1 104 104 GLY . 36061 1 105 105 LYS . 36061 1 106 106 THR . 36061 1 107 107 ALA . 36061 1 108 108 SER . 36061 1 109 109 LEU . 36061 1 110 110 LYS . 36061 1 111 111 ARG . 36061 1 112 112 GLY . 36061 1 113 113 GLY . 36061 1 114 114 TYR . 36061 1 115 115 GLY . 36061 1 116 116 GLN . 36061 1 117 117 ASP . 36061 1 118 118 THR . 36061 1 119 119 ALA . 36061 1 120 120 VAL . 36061 1 121 121 THR . 36061 1 122 122 LEU . 36061 1 123 123 PRO . 36061 1 124 124 GLU . 36061 1 125 125 ALA . 36061 1 126 126 GLY . 36061 1 127 127 GLN . 36061 1 128 128 TYR . 36061 1 129 129 VAL . 36061 1 130 130 TRP . 36061 1 131 131 SER . 36061 1 132 132 LEU . 36061 1 133 133 LYS . 36061 1 134 134 PHE . 36061 1 135 135 THR . 36061 1 136 136 ASP . 36061 1 137 137 SER . 36061 1 138 138 GLY . 36061 1 139 139 ASP . 36061 1 140 140 PRO . 36061 1 141 141 GLU . 36061 1 142 142 GLN . 36061 1 143 143 ILE . 36061 1 144 144 MET . 36061 1 145 145 VAL . 36061 1 146 146 SER . 36061 1 147 147 LYS . 36061 1 148 148 CYS . 36061 1 149 149 PRO . 36061 1 150 150 LEU . 36061 1 151 151 GLU . 36061 1 152 152 HIS . 36061 1 153 153 HIS . 36061 1 154 154 HIS . 36061 1 155 155 HIS . 36061 1 156 156 HIS . 36061 1 157 157 HIS . 36061 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 . THR 1 1 36061 1 . PRO 2 2 36061 1 . SER 3 3 36061 1 . ALA 4 4 36061 1 . SER 5 5 36061 1 . GLY 6 6 36061 1 . LEU 7 7 36061 1 . THR 8 8 36061 1 . LYS 9 9 36061 1 . VAL 10 10 36061 1 . ALA 11 11 36061 1 . THR 12 12 36061 1 . VAL 13 13 36061 1 . SER 14 14 36061 1 . ALA 15 15 36061 1 . ALA 16 16 36061 1 . SER 17 17 36061 1 . SER 18 18 36061 1 . LEU 19 19 36061 1 . ILE 20 20 36061 1 . GLY 21 21 36061 1 . GLU 22 22 36061 1 . GLY 23 23 36061 1 . PHE 24 24 36061 1 . MET 25 25 36061 1 . ALA 26 26 36061 1 . GLN 27 27 36061 1 . CYS 28 28 36061 1 . ASP 29 29 36061 1 . ASN 30 30 36061 1 . PRO 31 31 36061 1 . THR 32 32 36061 1 . ILE 33 33 36061 1 . GLU 34 34 36061 1 . GLY 35 35 36061 1 . ASP 36 36 36061 1 . GLY 37 37 36061 1 . PRO 38 38 36061 1 . ILE 39 39 36061 1 . GLY 40 40 36061 1 . LYS 41 41 36061 1 . THR 42 42 36061 1 . LEU 43 43 36061 1 . TYR 44 44 36061 1 . VAL 45 45 36061 1 . VAL 46 46 36061 1 . GLY 47 47 36061 1 . ASP 48 48 36061 1 . PHE 49 49 36061 1 . ALA 50 50 36061 1 . ASP 51 51 36061 1 . ALA 52 52 36061 1 . SER 53 53 36061 1 . TRP 54 54 36061 1 . LYS 55 55 36061 1 . GLN 56 56 36061 1 . LYS 57 57 36061 1 . PRO 58 58 36061 1 . HIS 59 59 36061 1 . ARG 60 60 36061 1 . ALA 61 61 36061 1 . TYR 62 62 36061 1 . ARG 63 63 36061 1 . TYR 64 64 36061 1 . VAL 65 65 36061 1 . GLY 66 66 36061 1 . GLU 67 67 36061 1 . ASN 68 68 36061 1 . THR 69 69 36061 1 . TYR 70 70 36061 1 . GLN 71 71 36061 1 . ALA 72 72 36061 1 . VAL 73 73 36061 1 . VAL 74 74 36061 1 . ASP 75 75 36061 1 . GLU 76 76 36061 1 . LYS 77 77 36061 1 . ALA 78 78 36061 1 . GLY 79 79 36061 1 . ALA 80 80 36061 1 . PHE 81 81 36061 1 . ARG 82 82 36061 1 . MET 83 83 36061 1 . GLN 84 84 36061 1 . TYR 85 85 36061 1 . ALA 86 86 36061 1 . SER 87 87 36061 1 . LYS 88 88 36061 1 . ASP 89 89 36061 1 . TRP 90 90 36061 1 . SER 91 91 36061 1 . PRO 92 92 36061 1 . GLN 93 93 36061 1 . PHE 94 94 36061 1 . THR 95 95 36061 1 . ALA 96 96 36061 1 . ASP 97 97 36061 1 . GLY 98 98 36061 1 . LEU 99 99 36061 1 . GLU 100 100 36061 1 . LEU 101 101 36061 1 . THR 102 102 36061 1 . PRO 103 103 36061 1 . GLY 104 104 36061 1 . LYS 105 105 36061 1 . THR 106 106 36061 1 . ALA 107 107 36061 1 . SER 108 108 36061 1 . LEU 109 109 36061 1 . LYS 110 110 36061 1 . ARG 111 111 36061 1 . GLY 112 112 36061 1 . GLY 113 113 36061 1 . TYR 114 114 36061 1 . GLY 115 115 36061 1 . GLN 116 116 36061 1 . ASP 117 117 36061 1 . THR 118 118 36061 1 . ALA 119 119 36061 1 . VAL 120 120 36061 1 . THR 121 121 36061 1 . LEU 122 122 36061 1 . PRO 123 123 36061 1 . GLU 124 124 36061 1 . ALA 125 125 36061 1 . GLY 126 126 36061 1 . GLN 127 127 36061 1 . TYR 128 128 36061 1 . VAL 129 129 36061 1 . TRP 130 130 36061 1 . SER 131 131 36061 1 . LEU 132 132 36061 1 . LYS 133 133 36061 1 . PHE 134 134 36061 1 . THR 135 135 36061 1 . ASP 136 136 36061 1 . SER 137 137 36061 1 . GLY 138 138 36061 1 . ASP 139 139 36061 1 . PRO 140 140 36061 1 . GLU 141 141 36061 1 . GLN 142 142 36061 1 . ILE 143 143 36061 1 . MET 144 144 36061 1 . VAL 145 145 36061 1 . SER 146 146 36061 1 . LYS 147 147 36061 1 . CYS 148 148 36061 1 . PRO 149 149 36061 1 . LEU 150 150 36061 1 . GLU 151 151 36061 1 . HIS 152 152 36061 1 . HIS 153 153 36061 1 . HIS 154 154 36061 1 . HIS 155 155 36061 1 . HIS 156 156 36061 1 . HIS 157 157 36061 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 36061 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 77133 organism . 'uncultured bacterium' 'uncultured bacterium' . . Bacteria . uncultured bacterium . . . . . . . . . . . Amy-1E . 36061 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 36061 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 36061 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36061 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM [U-99% 15N] AmyP-SBD, 2 mM NA- beta-cyclodextrin, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AmyP-SBD '[U-99% 15N]' . . 1 $entity_1 . protein 0.4 . . mM . . . . 36061 1 2 beta-cyclodextrin 'natural abundance' . . . . . . 2 . . mM . . . . 36061 1 3 NaH2PO4 'natural abundance' . . . . . buffer 20 . . mM . . . . 36061 1 4 NaCl 'natural abundance' . . . . . salt 150 . . mM . . . . 36061 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36061 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36061 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36061 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM [U-99% 13C; U-99% 15N] AmyP-SBD, 2 mM NA beta-cyclodextrin, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AmyP-SBD '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . protein 0.4 . . mM . . . . 36061 2 2 beta-cyclodextrin 'natural abundance' . . . . . . 2 . . mM . . . . 36061 2 3 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36061 2 4 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36061 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 36061 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM [U-99% 13C; U-99% 15N] AmyP-SBD, 2 mM NA beta-cyclodextrin, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AmyP-SBD '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . protein 0.4 . . mM . . . . 36061 3 2 beta-cyclodextrin 'natural abundance' . . . . . . 2 . . mM . . . . 36061 3 3 D2O [U-2H] . . . . . solvent 100 . . % . . . . 36061 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 36061 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.12 . M 36061 1 pH 6.5 . pH 36061 1 pressure 1 . atm 36061 1 temperature 293 . K 36061 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36061 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ' . . 36061 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 36061 1 'structure solution' 36061 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36061 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 36061 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36061 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36061 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 36061 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DMX . 500 . . . 36061 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 36061 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 36061 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36061 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36061 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36061 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36061 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36061 1 6 '3D CBCANH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36061 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36061 1 8 '3D HCC(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36061 1 9 '3D CC(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36061 1 10 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36061 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36061 1 12 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36061 1 13 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36061 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36061 1 15 '3D HCCH-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36061 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36061 1 17 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36061 1 18 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36061 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36061 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details water loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.773 internal indirect 0.25144953 . . . . . 36061 1 H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . 36061 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.10132912 . . . . . 36061 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36061 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36061 1 2 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 36061 1 3 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36061 1 4 '2D 1H-15N HSQC' 2 $sample_2 isotropic 36061 1 5 '3D CBCA(CO)NH' 2 $sample_2 isotropic 36061 1 6 '3D CBCANH' 2 $sample_2 isotropic 36061 1 7 '3D HBHA(CO)NH' 2 $sample_2 isotropic 36061 1 8 '3D HCC(CO)NH' 2 $sample_2 isotropic 36061 1 9 '3D CC(CO)NH' 2 $sample_2 isotropic 36061 1 10 '3D HNCO' 2 $sample_2 isotropic 36061 1 11 '3D 1H-15N NOESY' 2 $sample_2 isotropic 36061 1 12 '3D HNCA' 2 $sample_2 isotropic 36061 1 13 '3D HN(CO)CA' 2 $sample_2 isotropic 36061 1 14 '3D HCCH-TOCSY' 3 $sample_3 isotropic 36061 1 15 '3D HCCH-COSY' 3 $sample_3 isotropic 36061 1 16 '3D 1H-13C NOESY' 3 $sample_3 isotropic 36061 1 17 '2D 1H-13C HSQC' 3 $sample_3 isotropic 36061 1 18 '2D 1H-15N HSQC' 3 $sample_3 isotropic 36061 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.422 0.004 . 1 . . . A 2 PRO HA . 36061 1 2 . 1 1 2 2 PRO HB2 H 1 2.307 0.008 . 1 . . . A 2 PRO HB2 . 36061 1 3 . 1 1 2 2 PRO HB3 H 1 1.926 0.000 . 1 . . . A 2 PRO HB3 . 36061 1 4 . 1 1 2 2 PRO HG2 H 1 1.980 0.009 . 1 . . . A 2 PRO HG2 . 36061 1 5 . 1 1 2 2 PRO HG3 H 1 1.980 0.009 . 1 . . . A 2 PRO HG3 . 36061 1 6 . 1 1 2 2 PRO HD2 H 1 3.873 0.000 . 1 . . . A 2 PRO HD2 . 36061 1 7 . 1 1 2 2 PRO HD3 H 1 3.758 0.009 . 1 . . . A 2 PRO HD3 . 36061 1 8 . 1 1 2 2 PRO C C 13 176.901 0.000 . 1 . . . A 2 PRO C . 36061 1 9 . 1 1 2 2 PRO CA C 13 63.656 0.018 . 1 . . . A 2 PRO CA . 36061 1 10 . 1 1 2 2 PRO CB C 13 32.254 0.068 . 1 . . . A 2 PRO CB . 36061 1 11 . 1 1 2 2 PRO CG C 13 27.529 0.000 . 1 . . . A 2 PRO CG . 36061 1 12 . 1 1 2 2 PRO CD C 13 51.165 0.241 . 1 . . . A 2 PRO CD . 36061 1 13 . 1 1 3 3 SER H H 1 8.415 0.006 . 1 . . . A 3 SER H . 36061 1 14 . 1 1 3 3 SER HA H 1 4.410 0.008 . 1 . . . A 3 SER HA . 36061 1 15 . 1 1 3 3 SER HB2 H 1 3.846 0.001 . 1 . . . A 3 SER HB2 . 36061 1 16 . 1 1 3 3 SER HB3 H 1 3.846 0.001 . 1 . . . A 3 SER HB3 . 36061 1 17 . 1 1 3 3 SER C C 13 174.297 0.000 . 1 . . . A 3 SER C . 36061 1 18 . 1 1 3 3 SER CA C 13 58.339 0.164 . 1 . . . A 3 SER CA . 36061 1 19 . 1 1 3 3 SER CB C 13 64.198 0.135 . 1 . . . A 3 SER CB . 36061 1 20 . 1 1 3 3 SER N N 15 116.374 0.035 . 1 . . . A 3 SER N . 36061 1 21 . 1 1 4 4 ALA H H 1 8.432 0.014 . 1 . . . A 4 ALA H . 36061 1 22 . 1 1 4 4 ALA HA H 1 4.351 0.014 . 1 . . . A 4 ALA HA . 36061 1 23 . 1 1 4 4 ALA HB1 H 1 1.385 0.010 . 1 . . . A 4 ALA HB1 . 36061 1 24 . 1 1 4 4 ALA HB2 H 1 1.385 0.010 . 1 . . . A 4 ALA HB2 . 36061 1 25 . 1 1 4 4 ALA HB3 H 1 1.385 0.010 . 1 . . . A 4 ALA HB3 . 36061 1 26 . 1 1 4 4 ALA C C 13 177.721 0.000 . 1 . . . A 4 ALA C . 36061 1 27 . 1 1 4 4 ALA CA C 13 52.622 0.078 . 1 . . . A 4 ALA CA . 36061 1 28 . 1 1 4 4 ALA CB C 13 19.143 0.020 . 1 . . . A 4 ALA CB . 36061 1 29 . 1 1 4 4 ALA N N 15 126.671 0.136 . 1 . . . A 4 ALA N . 36061 1 30 . 1 1 5 5 SER H H 1 8.165 0.005 . 1 . . . A 5 SER H . 36061 1 31 . 1 1 5 5 SER HA H 1 4.445 0.000 . 1 . . . A 5 SER HA . 36061 1 32 . 1 1 5 5 SER HB2 H 1 3.852 0.000 . 1 . . . A 5 SER HB2 . 36061 1 33 . 1 1 5 5 SER HB3 H 1 3.852 0.000 . 1 . . . A 5 SER HB3 . 36061 1 34 . 1 1 5 5 SER C C 13 173.985 0.000 . 1 . . . A 5 SER C . 36061 1 35 . 1 1 5 5 SER CA C 13 58.533 0.059 . 1 . . . A 5 SER CA . 36061 1 36 . 1 1 5 5 SER CB C 13 64.364 0.000 . 1 . . . A 5 SER CB . 36061 1 37 . 1 1 5 5 SER N N 15 114.758 0.062 . 1 . . . A 5 SER N . 36061 1 38 . 1 1 6 6 GLY H H 1 7.950 0.007 . 1 . . . A 6 GLY H . 36061 1 39 . 1 1 6 6 GLY HA2 H 1 3.963 0.002 . 1 . . . A 6 GLY HA2 . 36061 1 40 . 1 1 6 6 GLY HA3 H 1 3.963 0.002 . 1 . . . A 6 GLY HA3 . 36061 1 41 . 1 1 6 6 GLY C C 13 174.076 0.000 . 1 . . . A 6 GLY C . 36061 1 42 . 1 1 6 6 GLY CA C 13 45.842 0.345 . 1 . . . A 6 GLY CA . 36061 1 43 . 1 1 6 6 GLY N N 15 116.973 0.010 . 1 . . . A 6 GLY N . 36061 1 44 . 1 1 7 7 LEU H H 1 8.073 0.004 . 1 . . . A 7 LEU H . 36061 1 45 . 1 1 7 7 LEU HA H 1 4.388 0.006 . 1 . . . A 7 LEU HA . 36061 1 46 . 1 1 7 7 LEU HB2 H 1 1.597 0.007 . 1 . . . A 7 LEU HB2 . 36061 1 47 . 1 1 7 7 LEU HB3 H 1 1.597 0.007 . 1 . . . A 7 LEU HB3 . 36061 1 48 . 1 1 7 7 LEU HD11 H 1 0.870 0.000 . 1 . . . A 7 LEU HD11 . 36061 1 49 . 1 1 7 7 LEU HD12 H 1 0.870 0.000 . 1 . . . A 7 LEU HD12 . 36061 1 50 . 1 1 7 7 LEU HD13 H 1 0.870 0.000 . 1 . . . A 7 LEU HD13 . 36061 1 51 . 1 1 7 7 LEU HD21 H 1 0.870 0.000 . 1 . . . A 7 LEU HD21 . 36061 1 52 . 1 1 7 7 LEU HD22 H 1 0.870 0.000 . 1 . . . A 7 LEU HD22 . 36061 1 53 . 1 1 7 7 LEU HD23 H 1 0.870 0.000 . 1 . . . A 7 LEU HD23 . 36061 1 54 . 1 1 7 7 LEU C C 13 177.535 0.000 . 1 . . . A 7 LEU C . 36061 1 55 . 1 1 7 7 LEU CA C 13 55.420 0.027 . 1 . . . A 7 LEU CA . 36061 1 56 . 1 1 7 7 LEU CB C 13 42.517 0.017 . 1 . . . A 7 LEU CB . 36061 1 57 . 1 1 7 7 LEU N N 15 121.312 0.014 . 1 . . . A 7 LEU N . 36061 1 58 . 1 1 8 8 THR H H 1 8.085 0.014 . 1 . . . A 8 THR H . 36061 1 59 . 1 1 8 8 THR HA H 1 4.337 0.005 . 1 . . . A 8 THR HA . 36061 1 60 . 1 1 8 8 THR HB H 1 4.223 0.000 . 1 . . . A 8 THR HB . 36061 1 61 . 1 1 8 8 THR HG21 H 1 1.180 0.000 . 1 . . . A 8 THR HG21 . 36061 1 62 . 1 1 8 8 THR HG22 H 1 1.180 0.000 . 1 . . . A 8 THR HG22 . 36061 1 63 . 1 1 8 8 THR HG23 H 1 1.180 0.000 . 1 . . . A 8 THR HG23 . 36061 1 64 . 1 1 8 8 THR C C 13 173.545 0.000 . 1 . . . A 8 THR C . 36061 1 65 . 1 1 8 8 THR CA C 13 61.990 0.108 . 1 . . . A 8 THR CA . 36061 1 66 . 1 1 8 8 THR CB C 13 70.111 0.103 . 1 . . . A 8 THR CB . 36061 1 67 . 1 1 8 8 THR CG2 C 13 21.618 0.000 . 1 . . . A 8 THR CG2 . 36061 1 68 . 1 1 8 8 THR N N 15 115.162 0.019 . 1 . . . A 8 THR N . 36061 1 69 . 1 1 9 9 LYS H H 1 7.967 0.006 . 1 . . . A 9 LYS H . 36061 1 70 . 1 1 9 9 LYS CA C 13 57.838 0.083 . 1 . . . A 9 LYS CA . 36061 1 71 . 1 1 9 9 LYS CB C 13 33.696 0.000 . 1 . . . A 9 LYS CB . 36061 1 72 . 1 1 9 9 LYS N N 15 128.835 0.015 . 1 . . . A 9 LYS N . 36061 1 73 . 1 1 10 10 VAL HA H 1 4.066 0.001 . 1 . . . A 10 VAL HA . 36061 1 74 . 1 1 10 10 VAL HB H 1 2.029 0.006 . 1 . . . A 10 VAL HB . 36061 1 75 . 1 1 10 10 VAL HG11 H 1 0.915 0.000 . 1 . . . A 10 VAL HG11 . 36061 1 76 . 1 1 10 10 VAL HG12 H 1 0.915 0.000 . 1 . . . A 10 VAL HG12 . 36061 1 77 . 1 1 10 10 VAL HG13 H 1 0.915 0.000 . 1 . . . A 10 VAL HG13 . 36061 1 78 . 1 1 10 10 VAL HG21 H 1 0.915 0.000 . 1 . . . A 10 VAL HG21 . 36061 1 79 . 1 1 10 10 VAL HG22 H 1 0.915 0.000 . 1 . . . A 10 VAL HG22 . 36061 1 80 . 1 1 10 10 VAL HG23 H 1 0.915 0.000 . 1 . . . A 10 VAL HG23 . 36061 1 81 . 1 1 10 10 VAL C C 13 175.663 0.000 . 1 . . . A 10 VAL C . 36061 1 82 . 1 1 10 10 VAL CA C 13 62.351 0.068 . 1 . . . A 10 VAL CA . 36061 1 83 . 1 1 10 10 VAL CB C 13 32.723 0.263 . 1 . . . A 10 VAL CB . 36061 1 84 . 1 1 10 10 VAL CG1 C 13 21.149 0.000 . 1 . . . A 10 VAL CG1 . 36061 1 85 . 1 1 10 10 VAL CG2 C 13 21.149 0.000 . 1 . . . A 10 VAL CG2 . 36061 1 86 . 1 1 11 11 ALA H H 1 8.438 0.010 . 1 . . . A 11 ALA H . 36061 1 87 . 1 1 11 11 ALA HA H 1 4.420 0.019 . 1 . . . A 11 ALA HA . 36061 1 88 . 1 1 11 11 ALA HB1 H 1 1.385 0.010 . 1 . . . A 11 ALA HB1 . 36061 1 89 . 1 1 11 11 ALA HB2 H 1 1.385 0.010 . 1 . . . A 11 ALA HB2 . 36061 1 90 . 1 1 11 11 ALA HB3 H 1 1.385 0.010 . 1 . . . A 11 ALA HB3 . 36061 1 91 . 1 1 11 11 ALA C C 13 176.862 0.000 . 1 . . . A 11 ALA C . 36061 1 92 . 1 1 11 11 ALA CA C 13 52.745 0.134 . 1 . . . A 11 ALA CA . 36061 1 93 . 1 1 11 11 ALA CB C 13 19.382 0.209 . 1 . . . A 11 ALA CB . 36061 1 94 . 1 1 11 11 ALA N N 15 128.439 0.093 . 1 . . . A 11 ALA N . 36061 1 95 . 1 1 12 12 THR H H 1 7.751 0.005 . 1 . . . A 12 THR H . 36061 1 96 . 1 1 12 12 THR HA H 1 4.298 0.000 . 1 . . . A 12 THR HA . 36061 1 97 . 1 1 12 12 THR HB H 1 3.619 0.000 . 1 . . . A 12 THR HB . 36061 1 98 . 1 1 12 12 THR CA C 13 63.280 0.000 . 1 . . . A 12 THR CA . 36061 1 99 . 1 1 12 12 THR CB C 13 70.871 0.000 . 1 . . . A 12 THR CB . 36061 1 100 . 1 1 12 12 THR N N 15 119.258 0.019 . 1 . . . A 12 THR N . 36061 1 101 . 1 1 13 13 VAL H H 1 8.346 0.020 . 1 . . . A 13 VAL H . 36061 1 102 . 1 1 13 13 VAL HA H 1 4.202 0.012 . 1 . . . A 13 VAL HA . 36061 1 103 . 1 1 13 13 VAL HB H 1 2.086 0.013 . 1 . . . A 13 VAL HB . 36061 1 104 . 1 1 13 13 VAL HG11 H 1 0.950 0.015 . 1 . . . A 13 VAL HG11 . 36061 1 105 . 1 1 13 13 VAL HG12 H 1 0.950 0.015 . 1 . . . A 13 VAL HG12 . 36061 1 106 . 1 1 13 13 VAL HG13 H 1 0.950 0.015 . 1 . . . A 13 VAL HG13 . 36061 1 107 . 1 1 13 13 VAL HG21 H 1 0.950 0.015 . 1 . . . A 13 VAL HG21 . 36061 1 108 . 1 1 13 13 VAL HG22 H 1 0.950 0.015 . 1 . . . A 13 VAL HG22 . 36061 1 109 . 1 1 13 13 VAL HG23 H 1 0.950 0.015 . 1 . . . A 13 VAL HG23 . 36061 1 110 . 1 1 13 13 VAL C C 13 175.796 0.000 . 1 . . . A 13 VAL C . 36061 1 111 . 1 1 13 13 VAL CA C 13 62.318 0.143 . 1 . . . A 13 VAL CA . 36061 1 112 . 1 1 13 13 VAL CB C 13 32.913 0.105 . 1 . . . A 13 VAL CB . 36061 1 113 . 1 1 13 13 VAL CG1 C 13 21.062 0.000 . 1 . . . A 13 VAL CG1 . 36061 1 114 . 1 1 13 13 VAL CG2 C 13 21.062 0.000 . 1 . . . A 13 VAL CG2 . 36061 1 115 . 1 1 13 13 VAL N N 15 123.258 0.148 . 1 . . . A 13 VAL N . 36061 1 116 . 1 1 14 14 SER H H 1 8.498 0.026 . 1 . . . A 14 SER H . 36061 1 117 . 1 1 14 14 SER HA H 1 4.432 0.000 . 1 . . . A 14 SER HA . 36061 1 118 . 1 1 14 14 SER HB2 H 1 3.837 0.003 . 1 . . . A 14 SER HB2 . 36061 1 119 . 1 1 14 14 SER HB3 H 1 3.837 0.003 . 1 . . . A 14 SER HB3 . 36061 1 120 . 1 1 14 14 SER CA C 13 58.173 0.000 . 1 . . . A 14 SER CA . 36061 1 121 . 1 1 14 14 SER CB C 13 63.811 0.209 . 1 . . . A 14 SER CB . 36061 1 122 . 1 1 14 14 SER N N 15 120.378 0.118 . 1 . . . A 14 SER N . 36061 1 123 . 1 1 15 15 ALA HA H 1 4.317 0.017 . 1 . . . A 15 ALA HA . 36061 1 124 . 1 1 15 15 ALA HB1 H 1 1.384 0.004 . 1 . . . A 15 ALA HB1 . 36061 1 125 . 1 1 15 15 ALA HB2 H 1 1.384 0.004 . 1 . . . A 15 ALA HB2 . 36061 1 126 . 1 1 15 15 ALA HB3 H 1 1.384 0.004 . 1 . . . A 15 ALA HB3 . 36061 1 127 . 1 1 15 15 ALA C C 13 177.588 0.000 . 1 . . . A 15 ALA C . 36061 1 128 . 1 1 15 15 ALA CA C 13 52.633 0.138 . 1 . . . A 15 ALA CA . 36061 1 129 . 1 1 15 15 ALA CB C 13 19.427 0.013 . 1 . . . A 15 ALA CB . 36061 1 130 . 1 1 16 16 ALA H H 1 8.309 0.009 . 1 . . . A 16 ALA H . 36061 1 131 . 1 1 16 16 ALA HA H 1 4.285 0.013 . 1 . . . A 16 ALA HA . 36061 1 132 . 1 1 16 16 ALA HB1 H 1 1.375 0.007 . 1 . . . A 16 ALA HB1 . 36061 1 133 . 1 1 16 16 ALA HB2 H 1 1.375 0.007 . 1 . . . A 16 ALA HB2 . 36061 1 134 . 1 1 16 16 ALA HB3 H 1 1.375 0.007 . 1 . . . A 16 ALA HB3 . 36061 1 135 . 1 1 16 16 ALA C C 13 177.942 0.000 . 1 . . . A 16 ALA C . 36061 1 136 . 1 1 16 16 ALA CA C 13 52.838 0.187 . 1 . . . A 16 ALA CA . 36061 1 137 . 1 1 16 16 ALA CB C 13 19.278 0.111 . 1 . . . A 16 ALA CB . 36061 1 138 . 1 1 16 16 ALA N N 15 123.356 0.039 . 1 . . . A 16 ALA N . 36061 1 139 . 1 1 17 17 SER H H 1 8.208 0.006 . 1 . . . A 17 SER H . 36061 1 140 . 1 1 17 17 SER HA H 1 4.397 0.003 . 1 . . . A 17 SER HA . 36061 1 141 . 1 1 17 17 SER HB2 H 1 3.837 0.011 . 1 . . . A 17 SER HB2 . 36061 1 142 . 1 1 17 17 SER HB3 H 1 3.837 0.011 . 1 . . . A 17 SER HB3 . 36061 1 143 . 1 1 17 17 SER C C 13 174.865 0.000 . 1 . . . A 17 SER C . 36061 1 144 . 1 1 17 17 SER CA C 13 58.657 0.047 . 1 . . . A 17 SER CA . 36061 1 145 . 1 1 17 17 SER CB C 13 64.108 0.079 . 1 . . . A 17 SER CB . 36061 1 146 . 1 1 17 17 SER N N 15 114.785 0.032 . 1 . . . A 17 SER N . 36061 1 147 . 1 1 18 18 SER H H 1 8.363 0.004 . 1 . . . A 18 SER H . 36061 1 148 . 1 1 18 18 SER HA H 1 4.419 0.003 . 1 . . . A 18 SER HA . 36061 1 149 . 1 1 18 18 SER HB2 H 1 3.893 0.016 . 1 . . . A 18 SER HB2 . 36061 1 150 . 1 1 18 18 SER HB3 H 1 3.893 0.016 . 1 . . . A 18 SER HB3 . 36061 1 151 . 1 1 18 18 SER C C 13 174.443 0.000 . 1 . . . A 18 SER C . 36061 1 152 . 1 1 18 18 SER CA C 13 58.720 0.040 . 1 . . . A 18 SER CA . 36061 1 153 . 1 1 18 18 SER CB C 13 63.971 0.209 . 1 . . . A 18 SER CB . 36061 1 154 . 1 1 18 18 SER N N 15 118.180 0.013 . 1 . . . A 18 SER N . 36061 1 155 . 1 1 19 19 LEU H H 1 8.237 0.008 . 1 . . . A 19 LEU H . 36061 1 156 . 1 1 19 19 LEU HA H 1 4.203 0.014 . 1 . . . A 19 LEU HA . 36061 1 157 . 1 1 19 19 LEU HB2 H 1 1.616 0.022 . 1 . . . A 19 LEU HB2 . 36061 1 158 . 1 1 19 19 LEU HB3 H 1 1.616 0.022 . 1 . . . A 19 LEU HB3 . 36061 1 159 . 1 1 19 19 LEU HG H 1 1.652 0.019 . 1 . . . A 19 LEU HG . 36061 1 160 . 1 1 19 19 LEU HD11 H 1 0.882 0.012 . 1 . . . A 19 LEU HD11 . 36061 1 161 . 1 1 19 19 LEU HD12 H 1 0.882 0.012 . 1 . . . A 19 LEU HD12 . 36061 1 162 . 1 1 19 19 LEU HD13 H 1 0.882 0.012 . 1 . . . A 19 LEU HD13 . 36061 1 163 . 1 1 19 19 LEU HD21 H 1 0.882 0.012 . 1 . . . A 19 LEU HD21 . 36061 1 164 . 1 1 19 19 LEU HD22 H 1 0.882 0.012 . 1 . . . A 19 LEU HD22 . 36061 1 165 . 1 1 19 19 LEU HD23 H 1 0.882 0.012 . 1 . . . A 19 LEU HD23 . 36061 1 166 . 1 1 19 19 LEU C C 13 175.572 0.000 . 1 . . . A 19 LEU C . 36061 1 167 . 1 1 19 19 LEU CA C 13 55.389 0.103 . 1 . . . A 19 LEU CA . 36061 1 168 . 1 1 19 19 LEU CB C 13 42.756 0.070 . 1 . . . A 19 LEU CB . 36061 1 169 . 1 1 19 19 LEU CG C 13 25.681 0.000 . 1 . . . A 19 LEU CG . 36061 1 170 . 1 1 19 19 LEU CD1 C 13 23.384 0.006 . 1 . . . A 19 LEU CD1 . 36061 1 171 . 1 1 19 19 LEU CD2 C 13 23.384 0.006 . 1 . . . A 19 LEU CD2 . 36061 1 172 . 1 1 19 19 LEU N N 15 121.757 0.037 . 1 . . . A 19 LEU N . 36061 1 173 . 1 1 20 20 ILE H H 1 7.570 0.004 . 1 . . . A 20 ILE H . 36061 1 174 . 1 1 20 20 ILE HA H 1 4.317 0.019 . 1 . . . A 20 ILE HA . 36061 1 175 . 1 1 20 20 ILE HB H 1 1.699 0.012 . 1 . . . A 20 ILE HB . 36061 1 176 . 1 1 20 20 ILE HG12 H 1 1.373 0.015 . 1 . . . A 20 ILE HG12 . 36061 1 177 . 1 1 20 20 ILE HG13 H 1 1.036 0.009 . 1 . . . A 20 ILE HG13 . 36061 1 178 . 1 1 20 20 ILE HG21 H 1 0.978 0.010 . 1 . . . A 20 ILE HG21 . 36061 1 179 . 1 1 20 20 ILE HG22 H 1 0.978 0.010 . 1 . . . A 20 ILE HG22 . 36061 1 180 . 1 1 20 20 ILE HG23 H 1 0.978 0.010 . 1 . . . A 20 ILE HG23 . 36061 1 181 . 1 1 20 20 ILE HD11 H 1 0.760 0.006 . 1 . . . A 20 ILE HD11 . 36061 1 182 . 1 1 20 20 ILE HD12 H 1 0.760 0.006 . 1 . . . A 20 ILE HD12 . 36061 1 183 . 1 1 20 20 ILE HD13 H 1 0.760 0.006 . 1 . . . A 20 ILE HD13 . 36061 1 184 . 1 1 20 20 ILE C C 13 177.041 0.000 . 1 . . . A 20 ILE C . 36061 1 185 . 1 1 20 20 ILE CA C 13 60.696 0.143 . 1 . . . A 20 ILE CA . 36061 1 186 . 1 1 20 20 ILE CB C 13 39.124 0.068 . 1 . . . A 20 ILE CB . 36061 1 187 . 1 1 20 20 ILE CG1 C 13 27.118 0.043 . 1 . . . A 20 ILE CG1 . 36061 1 188 . 1 1 20 20 ILE CG2 C 13 17.025 0.091 . 1 . . . A 20 ILE CG2 . 36061 1 189 . 1 1 20 20 ILE CD1 C 13 13.462 0.051 . 1 . . . A 20 ILE CD1 . 36061 1 190 . 1 1 20 20 ILE N N 15 118.872 0.021 . 1 . . . A 20 ILE N . 36061 1 191 . 1 1 21 21 GLY H H 1 8.629 0.005 . 1 . . . A 21 GLY H . 36061 1 192 . 1 1 21 21 GLY HA2 H 1 4.411 0.005 . 1 . . . A 21 GLY HA2 . 36061 1 193 . 1 1 21 21 GLY HA3 H 1 3.568 0.015 . 1 . . . A 21 GLY HA3 . 36061 1 194 . 1 1 21 21 GLY C C 13 176.650 0.000 . 1 . . . A 21 GLY C . 36061 1 195 . 1 1 21 21 GLY CA C 13 44.663 0.119 . 1 . . . A 21 GLY CA . 36061 1 196 . 1 1 21 21 GLY N N 15 113.349 0.040 . 1 . . . A 21 GLY N . 36061 1 197 . 1 1 22 22 GLU H H 1 8.091 0.008 . 1 . . . A 22 GLU H . 36061 1 198 . 1 1 22 22 GLU HA H 1 4.441 0.011 . 1 . . . A 22 GLU HA . 36061 1 199 . 1 1 22 22 GLU HB2 H 1 1.949 0.013 . 1 . . . A 22 GLU HB2 . 36061 1 200 . 1 1 22 22 GLU HB3 H 1 1.845 0.011 . 1 . . . A 22 GLU HB3 . 36061 1 201 . 1 1 22 22 GLU HG2 H 1 2.185 0.012 . 1 . . . A 22 GLU HG2 . 36061 1 202 . 1 1 22 22 GLU HG3 H 1 2.185 0.012 . 1 . . . A 22 GLU HG3 . 36061 1 203 . 1 1 22 22 GLU C C 13 176.701 0.000 . 1 . . . A 22 GLU C . 36061 1 204 . 1 1 22 22 GLU CA C 13 55.215 0.164 . 1 . . . A 22 GLU CA . 36061 1 205 . 1 1 22 22 GLU CB C 13 32.650 0.223 . 1 . . . A 22 GLU CB . 36061 1 206 . 1 1 22 22 GLU CG C 13 36.185 0.024 . 1 . . . A 22 GLU CG . 36061 1 207 . 1 1 22 22 GLU N N 15 117.664 0.044 . 1 . . . A 22 GLU N . 36061 1 208 . 1 1 23 23 GLY H H 1 8.505 0.007 . 1 . . . A 23 GLY H . 36061 1 209 . 1 1 23 23 GLY HA2 H 1 4.207 0.004 . 1 . . . A 23 GLY HA2 . 36061 1 210 . 1 1 23 23 GLY HA3 H 1 3.821 0.008 . 1 . . . A 23 GLY HA3 . 36061 1 211 . 1 1 23 23 GLY C C 13 175.602 0.000 . 1 . . . A 23 GLY C . 36061 1 212 . 1 1 23 23 GLY CA C 13 44.763 0.119 . 1 . . . A 23 GLY CA . 36061 1 213 . 1 1 23 23 GLY N N 15 108.128 0.014 . 1 . . . A 23 GLY N . 36061 1 214 . 1 1 24 24 PHE H H 1 8.628 0.008 . 1 . . . A 24 PHE H . 36061 1 215 . 1 1 24 24 PHE HA H 1 4.135 0.018 . 1 . . . A 24 PHE HA . 36061 1 216 . 1 1 24 24 PHE HB2 H 1 3.278 0.012 . 1 . . . A 24 PHE HB2 . 36061 1 217 . 1 1 24 24 PHE HB3 H 1 2.805 0.013 . 1 . . . A 24 PHE HB3 . 36061 1 218 . 1 1 24 24 PHE HD1 H 1 7.026 0.012 . 1 . . . A 24 PHE HD1 . 36061 1 219 . 1 1 24 24 PHE HD2 H 1 7.026 0.012 . 1 . . . A 24 PHE HD2 . 36061 1 220 . 1 1 24 24 PHE C C 13 178.766 0.000 . 1 . . . A 24 PHE C . 36061 1 221 . 1 1 24 24 PHE CA C 13 62.263 0.145 . 1 . . . A 24 PHE CA . 36061 1 222 . 1 1 24 24 PHE CB C 13 40.624 0.068 . 1 . . . A 24 PHE CB . 36061 1 223 . 1 1 24 24 PHE N N 15 123.286 0.050 . 1 . . . A 24 PHE N . 36061 1 224 . 1 1 25 25 MET H H 1 8.862 0.004 . 1 . . . A 25 MET H . 36061 1 225 . 1 1 25 25 MET HA H 1 3.628 0.018 . 1 . . . A 25 MET HA . 36061 1 226 . 1 1 25 25 MET HB2 H 1 2.236 0.010 . 1 . . . A 25 MET HB2 . 36061 1 227 . 1 1 25 25 MET HB3 H 1 2.081 0.013 . 1 . . . A 25 MET HB3 . 36061 1 228 . 1 1 25 25 MET HG2 H 1 2.884 0.016 . 1 . . . A 25 MET HG2 . 36061 1 229 . 1 1 25 25 MET HG3 H 1 2.884 0.016 . 1 . . . A 25 MET HG3 . 36061 1 230 . 1 1 25 25 MET HE1 H 1 1.889 0.014 . 1 . . . A 25 MET HE1 . 36061 1 231 . 1 1 25 25 MET HE2 H 1 1.889 0.014 . 1 . . . A 25 MET HE2 . 36061 1 232 . 1 1 25 25 MET HE3 H 1 1.889 0.014 . 1 . . . A 25 MET HE3 . 36061 1 233 . 1 1 25 25 MET C C 13 174.916 0.000 . 1 . . . A 25 MET C . 36061 1 234 . 1 1 25 25 MET CA C 13 58.456 0.123 . 1 . . . A 25 MET CA . 36061 1 235 . 1 1 25 25 MET CB C 13 33.933 0.051 . 1 . . . A 25 MET CB . 36061 1 236 . 1 1 25 25 MET CG C 13 33.948 0.038 . 1 . . . A 25 MET CG . 36061 1 237 . 1 1 25 25 MET CE C 13 16.562 0.000 . 1 . . . A 25 MET CE . 36061 1 238 . 1 1 25 25 MET N N 15 113.434 0.026 . 1 . . . A 25 MET N . 36061 1 239 . 1 1 26 26 ALA H H 1 7.433 0.006 . 1 . . . A 26 ALA H . 36061 1 240 . 1 1 26 26 ALA HA H 1 4.020 0.005 . 1 . . . A 26 ALA HA . 36061 1 241 . 1 1 26 26 ALA HB1 H 1 1.038 0.007 . 1 . . . A 26 ALA HB1 . 36061 1 242 . 1 1 26 26 ALA HB2 H 1 1.038 0.007 . 1 . . . A 26 ALA HB2 . 36061 1 243 . 1 1 26 26 ALA HB3 H 1 1.038 0.007 . 1 . . . A 26 ALA HB3 . 36061 1 244 . 1 1 26 26 ALA C C 13 176.210 0.000 . 1 . . . A 26 ALA C . 36061 1 245 . 1 1 26 26 ALA CA C 13 51.113 0.111 . 1 . . . A 26 ALA CA . 36061 1 246 . 1 1 26 26 ALA CB C 13 19.298 0.180 . 1 . . . A 26 ALA CB . 36061 1 247 . 1 1 26 26 ALA N N 15 119.205 0.032 . 1 . . . A 26 ALA N . 36061 1 248 . 1 1 27 27 GLN H H 1 6.868 0.006 . 1 . . . A 27 GLN H . 36061 1 249 . 1 1 27 27 GLN HA H 1 4.089 0.012 . 1 . . . A 27 GLN HA . 36061 1 250 . 1 1 27 27 GLN HB2 H 1 2.015 0.019 . 1 . . . A 27 GLN HB2 . 36061 1 251 . 1 1 27 27 GLN HB3 H 1 1.835 0.011 . 1 . . . A 27 GLN HB3 . 36061 1 252 . 1 1 27 27 GLN HG2 H 1 2.436 0.009 . 1 . . . A 27 GLN HG2 . 36061 1 253 . 1 1 27 27 GLN HG3 H 1 2.436 0.009 . 1 . . . A 27 GLN HG3 . 36061 1 254 . 1 1 27 27 GLN HE21 H 1 7.528 0.009 . 1 . . . A 27 GLN HE21 . 36061 1 255 . 1 1 27 27 GLN HE22 H 1 6.953 0.005 . 1 . . . A 27 GLN HE22 . 36061 1 256 . 1 1 27 27 GLN C C 13 177.085 0.000 . 1 . . . A 27 GLN C . 36061 1 257 . 1 1 27 27 GLN CA C 13 54.708 0.152 . 1 . . . A 27 GLN CA . 36061 1 258 . 1 1 27 27 GLN CB C 13 28.147 0.085 . 1 . . . A 27 GLN CB . 36061 1 259 . 1 1 27 27 GLN CG C 13 33.369 0.040 . 1 . . . A 27 GLN CG . 36061 1 260 . 1 1 27 27 GLN N N 15 115.078 0.029 . 1 . . . A 27 GLN N . 36061 1 261 . 1 1 27 27 GLN NE2 N 15 114.381 0.029 . 1 . . . A 27 GLN NE2 . 36061 1 262 . 1 1 28 28 CYS H H 1 9.059 0.005 . 1 . . . A 28 CYS H . 36061 1 263 . 1 1 28 28 CYS HA H 1 4.292 0.005 . 1 . . . A 28 CYS HA . 36061 1 264 . 1 1 28 28 CYS HB2 H 1 3.299 0.006 . 1 . . . A 28 CYS HB2 . 36061 1 265 . 1 1 28 28 CYS HB3 H 1 2.940 0.014 . 1 . . . A 28 CYS HB3 . 36061 1 266 . 1 1 28 28 CYS C C 13 172.332 0.000 . 1 . . . A 28 CYS C . 36061 1 267 . 1 1 28 28 CYS CA C 13 56.599 0.131 . 1 . . . A 28 CYS CA . 36061 1 268 . 1 1 28 28 CYS CB C 13 43.476 0.122 . 1 . . . A 28 CYS CB . 36061 1 269 . 1 1 28 28 CYS N N 15 117.658 0.047 . 1 . . . A 28 CYS N . 36061 1 270 . 1 1 29 29 ASP H H 1 7.846 0.005 . 1 . . . A 29 ASP H . 36061 1 271 . 1 1 29 29 ASP HA H 1 4.507 0.002 . 1 . . . A 29 ASP HA . 36061 1 272 . 1 1 29 29 ASP HB2 H 1 2.818 0.005 . 1 . . . A 29 ASP HB2 . 36061 1 273 . 1 1 29 29 ASP HB3 H 1 2.271 0.005 . 1 . . . A 29 ASP HB3 . 36061 1 274 . 1 1 29 29 ASP C C 13 176.730 0.000 . 1 . . . A 29 ASP C . 36061 1 275 . 1 1 29 29 ASP CA C 13 52.118 0.097 . 1 . . . A 29 ASP CA . 36061 1 276 . 1 1 29 29 ASP CB C 13 40.455 0.035 . 1 . . . A 29 ASP CB . 36061 1 277 . 1 1 29 29 ASP N N 15 118.450 0.048 . 1 . . . A 29 ASP N . 36061 1 278 . 1 1 30 30 ASN H H 1 8.381 0.005 . 1 . . . A 30 ASN H . 36061 1 279 . 1 1 30 30 ASN HA H 1 4.728 0.011 . 1 . . . A 30 ASN HA . 36061 1 280 . 1 1 30 30 ASN HB2 H 1 2.372 0.026 . 1 . . . A 30 ASN HB2 . 36061 1 281 . 1 1 30 30 ASN HB3 H 1 2.372 0.026 . 1 . . . A 30 ASN HB3 . 36061 1 282 . 1 1 30 30 ASN HD21 H 1 7.606 0.001 . 1 . . . A 30 ASN HD21 . 36061 1 283 . 1 1 30 30 ASN HD22 H 1 6.995 0.002 . 1 . . . A 30 ASN HD22 . 36061 1 284 . 1 1 30 30 ASN CA C 13 52.145 0.000 . 1 . . . A 30 ASN CA . 36061 1 285 . 1 1 30 30 ASN CB C 13 36.426 0.000 . 1 . . . A 30 ASN CB . 36061 1 286 . 1 1 30 30 ASN N N 15 120.679 0.042 . 1 . . . A 30 ASN N . 36061 1 287 . 1 1 30 30 ASN ND2 N 15 116.097 0.054 . 1 . . . A 30 ASN ND2 . 36061 1 288 . 1 1 31 31 PRO HA H 1 4.403 0.027 . 1 . . . A 31 PRO HA . 36061 1 289 . 1 1 31 31 PRO HB2 H 1 2.230 0.013 . 1 . . . A 31 PRO HB2 . 36061 1 290 . 1 1 31 31 PRO HB3 H 1 1.868 0.017 . 1 . . . A 31 PRO HB3 . 36061 1 291 . 1 1 31 31 PRO HG2 H 1 2.009 0.003 . 1 . . . A 31 PRO HG2 . 36061 1 292 . 1 1 31 31 PRO HG3 H 1 1.966 0.005 . 1 . . . A 31 PRO HG3 . 36061 1 293 . 1 1 31 31 PRO HD2 H 1 3.913 0.016 . 1 . . . A 31 PRO HD2 . 36061 1 294 . 1 1 31 31 PRO HD3 H 1 3.709 0.006 . 1 . . . A 31 PRO HD3 . 36061 1 295 . 1 1 31 31 PRO C C 13 176.126 0.000 . 1 . . . A 31 PRO C . 36061 1 296 . 1 1 31 31 PRO CA C 13 62.227 0.113 . 1 . . . A 31 PRO CA . 36061 1 297 . 1 1 31 31 PRO CB C 13 32.250 0.089 . 1 . . . A 31 PRO CB . 36061 1 298 . 1 1 31 31 PRO CG C 13 27.301 0.041 . 1 . . . A 31 PRO CG . 36061 1 299 . 1 1 31 31 PRO CD C 13 50.916 0.132 . 1 . . . A 31 PRO CD . 36061 1 300 . 1 1 32 32 THR H H 1 8.515 0.003 . 1 . . . A 32 THR H . 36061 1 301 . 1 1 32 32 THR HA H 1 4.184 0.006 . 1 . . . A 32 THR HA . 36061 1 302 . 1 1 32 32 THR HB H 1 3.990 0.005 . 1 . . . A 32 THR HB . 36061 1 303 . 1 1 32 32 THR HG1 H 1 5.702 0.000 . 1 . . . A 32 THR HG1 . 36061 1 304 . 1 1 32 32 THR HG21 H 1 1.329 0.006 . 1 . . . A 32 THR HG21 . 36061 1 305 . 1 1 32 32 THR HG22 H 1 1.329 0.006 . 1 . . . A 32 THR HG22 . 36061 1 306 . 1 1 32 32 THR HG23 H 1 1.329 0.006 . 1 . . . A 32 THR HG23 . 36061 1 307 . 1 1 32 32 THR C C 13 174.164 0.000 . 1 . . . A 32 THR C . 36061 1 308 . 1 1 32 32 THR CA C 13 63.191 0.177 . 1 . . . A 32 THR CA . 36061 1 309 . 1 1 32 32 THR CB C 13 69.588 0.179 . 1 . . . A 32 THR CB . 36061 1 310 . 1 1 32 32 THR CG2 C 13 22.982 0.075 . 1 . . . A 32 THR CG2 . 36061 1 311 . 1 1 32 32 THR N N 15 117.818 0.023 . 1 . . . A 32 THR N . 36061 1 312 . 1 1 33 33 ILE H H 1 8.592 0.012 . 1 . . . A 33 ILE H . 36061 1 313 . 1 1 33 33 ILE HA H 1 4.330 0.013 . 1 . . . A 33 ILE HA . 36061 1 314 . 1 1 33 33 ILE HB H 1 1.438 0.011 . 1 . . . A 33 ILE HB . 36061 1 315 . 1 1 33 33 ILE HG12 H 1 1.114 0.019 . 1 . . . A 33 ILE HG12 . 36061 1 316 . 1 1 33 33 ILE HG13 H 1 1.114 0.019 . 1 . . . A 33 ILE HG13 . 36061 1 317 . 1 1 33 33 ILE HG21 H 1 0.939 0.015 . 1 . . . A 33 ILE HG21 . 36061 1 318 . 1 1 33 33 ILE HG22 H 1 0.939 0.015 . 1 . . . A 33 ILE HG22 . 36061 1 319 . 1 1 33 33 ILE HG23 H 1 0.939 0.015 . 1 . . . A 33 ILE HG23 . 36061 1 320 . 1 1 33 33 ILE HD11 H 1 0.627 0.017 . 1 . . . A 33 ILE HD11 . 36061 1 321 . 1 1 33 33 ILE HD12 H 1 0.627 0.017 . 1 . . . A 33 ILE HD12 . 36061 1 322 . 1 1 33 33 ILE HD13 H 1 0.627 0.017 . 1 . . . A 33 ILE HD13 . 36061 1 323 . 1 1 33 33 ILE C C 13 174.892 0.000 . 1 . . . A 33 ILE C . 36061 1 324 . 1 1 33 33 ILE CA C 13 57.460 0.138 . 1 . . . A 33 ILE CA . 36061 1 325 . 1 1 33 33 ILE CB C 13 38.134 0.055 . 1 . . . A 33 ILE CB . 36061 1 326 . 1 1 33 33 ILE CG1 C 13 26.989 0.029 . 1 . . . A 33 ILE CG1 . 36061 1 327 . 1 1 33 33 ILE CG2 C 13 17.064 0.104 . 1 . . . A 33 ILE CG2 . 36061 1 328 . 1 1 33 33 ILE CD1 C 13 9.897 0.175 . 1 . . . A 33 ILE CD1 . 36061 1 329 . 1 1 33 33 ILE N N 15 130.334 0.026 . 1 . . . A 33 ILE N . 36061 1 330 . 1 1 34 34 GLU H H 1 8.402 0.008 . 1 . . . A 34 GLU H . 36061 1 331 . 1 1 34 34 GLU HA H 1 4.126 0.009 . 1 . . . A 34 GLU HA . 36061 1 332 . 1 1 34 34 GLU HB2 H 1 2.001 0.013 . 1 . . . A 34 GLU HB2 . 36061 1 333 . 1 1 34 34 GLU HB3 H 1 2.001 0.013 . 1 . . . A 34 GLU HB3 . 36061 1 334 . 1 1 34 34 GLU HG2 H 1 2.291 0.006 . 1 . . . A 34 GLU HG2 . 36061 1 335 . 1 1 34 34 GLU HG3 H 1 2.291 0.006 . 1 . . . A 34 GLU HG3 . 36061 1 336 . 1 1 34 34 GLU C C 13 176.304 0.000 . 1 . . . A 34 GLU C . 36061 1 337 . 1 1 34 34 GLU CA C 13 57.696 0.155 . 1 . . . A 34 GLU CA . 36061 1 338 . 1 1 34 34 GLU CB C 13 30.095 0.063 . 1 . . . A 34 GLU CB . 36061 1 339 . 1 1 34 34 GLU CG C 13 36.311 0.023 . 1 . . . A 34 GLU CG . 36061 1 340 . 1 1 34 34 GLU N N 15 125.080 0.054 . 1 . . . A 34 GLU N . 36061 1 341 . 1 1 35 35 GLY H H 1 8.247 0.007 . 1 . . . A 35 GLY H . 36061 1 342 . 1 1 35 35 GLY HA2 H 1 4.330 0.010 . 1 . . . A 35 GLY HA2 . 36061 1 343 . 1 1 35 35 GLY HA3 H 1 3.759 0.008 . 1 . . . A 35 GLY HA3 . 36061 1 344 . 1 1 35 35 GLY C C 13 173.307 0.000 . 1 . . . A 35 GLY C . 36061 1 345 . 1 1 35 35 GLY CA C 13 44.117 0.137 . 1 . . . A 35 GLY CA . 36061 1 346 . 1 1 35 35 GLY N N 15 110.441 0.041 . 1 . . . A 35 GLY N . 36061 1 347 . 1 1 36 36 ASP H H 1 8.217 0.007 . 1 . . . A 36 ASP H . 36061 1 348 . 1 1 36 36 ASP HA H 1 4.595 0.007 . 1 . . . A 36 ASP HA . 36061 1 349 . 1 1 36 36 ASP HB2 H 1 2.605 0.009 . 1 . . . A 36 ASP HB2 . 36061 1 350 . 1 1 36 36 ASP HB3 H 1 2.382 0.004 . 1 . . . A 36 ASP HB3 . 36061 1 351 . 1 1 36 36 ASP C C 13 177.488 0.000 . 1 . . . A 36 ASP C . 36061 1 352 . 1 1 36 36 ASP CA C 13 55.159 0.049 . 1 . . . A 36 ASP CA . 36061 1 353 . 1 1 36 36 ASP CB C 13 42.026 0.042 . 1 . . . A 36 ASP CB . 36061 1 354 . 1 1 36 36 ASP N N 15 116.002 0.011 . 1 . . . A 36 ASP N . 36061 1 355 . 1 1 37 37 GLY H H 1 7.998 0.007 . 1 . . . A 37 GLY H . 36061 1 356 . 1 1 37 37 GLY HA2 H 1 3.467 0.014 . 1 . . . A 37 GLY HA2 . 36061 1 357 . 1 1 37 37 GLY HA3 H 1 3.467 0.014 . 1 . . . A 37 GLY HA3 . 36061 1 358 . 1 1 37 37 GLY CA C 13 43.501 0.042 . 1 . . . A 37 GLY CA . 36061 1 359 . 1 1 37 37 GLY N N 15 109.145 0.021 . 1 . . . A 37 GLY N . 36061 1 360 . 1 1 38 38 PRO HA H 1 4.197 0.007 . 1 . . . A 38 PRO HA . 36061 1 361 . 1 1 38 38 PRO HB2 H 1 2.288 0.011 . 1 . . . A 38 PRO HB2 . 36061 1 362 . 1 1 38 38 PRO HB3 H 1 1.498 0.009 . 1 . . . A 38 PRO HB3 . 36061 1 363 . 1 1 38 38 PRO HD2 H 1 3.889 0.000 . 1 . . . A 38 PRO HD2 . 36061 1 364 . 1 1 38 38 PRO HD3 H 1 3.889 0.000 . 1 . . . A 38 PRO HD3 . 36061 1 365 . 1 1 38 38 PRO C C 13 176.473 0.000 . 1 . . . A 38 PRO C . 36061 1 366 . 1 1 38 38 PRO CA C 13 64.192 0.167 . 1 . . . A 38 PRO CA . 36061 1 367 . 1 1 38 38 PRO CB C 13 32.563 0.167 . 1 . . . A 38 PRO CB . 36061 1 368 . 1 1 38 38 PRO CG C 13 27.362 0.000 . 1 . . . A 38 PRO CG . 36061 1 369 . 1 1 39 39 ILE H H 1 7.451 0.004 . 1 . . . A 39 ILE H . 36061 1 370 . 1 1 39 39 ILE HA H 1 3.286 0.000 . 1 . . . A 39 ILE HA . 36061 1 371 . 1 1 39 39 ILE HB H 1 1.556 0.000 . 1 . . . A 39 ILE HB . 36061 1 372 . 1 1 39 39 ILE HG12 H 1 1.306 0.012 . 1 . . . A 39 ILE HG12 . 36061 1 373 . 1 1 39 39 ILE HG13 H 1 1.306 0.012 . 1 . . . A 39 ILE HG13 . 36061 1 374 . 1 1 39 39 ILE HG21 H 1 0.660 0.002 . 1 . . . A 39 ILE HG21 . 36061 1 375 . 1 1 39 39 ILE HG22 H 1 0.660 0.002 . 1 . . . A 39 ILE HG22 . 36061 1 376 . 1 1 39 39 ILE HG23 H 1 0.660 0.002 . 1 . . . A 39 ILE HG23 . 36061 1 377 . 1 1 39 39 ILE HD11 H 1 0.464 0.026 . 1 . . . A 39 ILE HD11 . 36061 1 378 . 1 1 39 39 ILE HD12 H 1 0.464 0.026 . 1 . . . A 39 ILE HD12 . 36061 1 379 . 1 1 39 39 ILE HD13 H 1 0.464 0.026 . 1 . . . A 39 ILE HD13 . 36061 1 380 . 1 1 39 39 ILE CA C 13 58.777 0.000 . 1 . . . A 39 ILE CA . 36061 1 381 . 1 1 39 39 ILE N N 15 117.807 0.035 . 1 . . . A 39 ILE N . 36061 1 382 . 1 1 40 40 GLY H H 1 6.107 0.000 . 1 . . . A 40 GLY H . 36061 1 383 . 1 1 40 40 GLY HA2 H 1 3.723 0.004 . 1 . . . A 40 GLY HA2 . 36061 1 384 . 1 1 40 40 GLY HA3 H 1 3.723 0.004 . 1 . . . A 40 GLY HA3 . 36061 1 385 . 1 1 40 40 GLY C C 13 173.303 0.000 . 1 . . . A 40 GLY C . 36061 1 386 . 1 1 40 40 GLY CA C 13 46.396 0.056 . 1 . . . A 40 GLY CA . 36061 1 387 . 1 1 40 40 GLY N N 15 107.312 0.024 . 1 . . . A 40 GLY N . 36061 1 388 . 1 1 41 41 LYS H H 1 6.947 0.007 . 1 . . . A 41 LYS H . 36061 1 389 . 1 1 41 41 LYS HA H 1 4.500 0.024 . 1 . . . A 41 LYS HA . 36061 1 390 . 1 1 41 41 LYS HB2 H 1 1.904 0.022 . 1 . . . A 41 LYS HB2 . 36061 1 391 . 1 1 41 41 LYS HB3 H 1 1.904 0.022 . 1 . . . A 41 LYS HB3 . 36061 1 392 . 1 1 41 41 LYS HG2 H 1 1.351 0.025 . 1 . . . A 41 LYS HG2 . 36061 1 393 . 1 1 41 41 LYS HG3 H 1 1.351 0.025 . 1 . . . A 41 LYS HG3 . 36061 1 394 . 1 1 41 41 LYS HD2 H 1 1.836 0.017 . 1 . . . A 41 LYS HD2 . 36061 1 395 . 1 1 41 41 LYS HD3 H 1 1.836 0.017 . 1 . . . A 41 LYS HD3 . 36061 1 396 . 1 1 41 41 LYS HE2 H 1 2.999 0.013 . 1 . . . A 41 LYS HE2 . 36061 1 397 . 1 1 41 41 LYS HE3 H 1 2.999 0.013 . 1 . . . A 41 LYS HE3 . 36061 1 398 . 1 1 41 41 LYS HZ1 H 1 7.699 0.000 . 1 . . . A 41 LYS HZ1 . 36061 1 399 . 1 1 41 41 LYS HZ2 H 1 7.699 0.000 . 1 . . . A 41 LYS HZ2 . 36061 1 400 . 1 1 41 41 LYS HZ3 H 1 7.699 0.000 . 1 . . . A 41 LYS HZ3 . 36061 1 401 . 1 1 41 41 LYS C C 13 175.321 0.000 . 1 . . . A 41 LYS C . 36061 1 402 . 1 1 41 41 LYS CA C 13 54.958 0.262 . 1 . . . A 41 LYS CA . 36061 1 403 . 1 1 41 41 LYS CB C 13 36.797 0.046 . 1 . . . A 41 LYS CB . 36061 1 404 . 1 1 41 41 LYS CG C 13 24.905 0.000 . 1 . . . A 41 LYS CG . 36061 1 405 . 1 1 41 41 LYS CD C 13 30.120 0.032 . 1 . . . A 41 LYS CD . 36061 1 406 . 1 1 41 41 LYS CE C 13 42.167 0.000 . 1 . . . A 41 LYS CE . 36061 1 407 . 1 1 41 41 LYS N N 15 117.465 0.022 . 1 . . . A 41 LYS N . 36061 1 408 . 1 1 42 42 THR H H 1 8.230 0.006 . 1 . . . A 42 THR H . 36061 1 409 . 1 1 42 42 THR HA H 1 4.086 0.009 . 1 . . . A 42 THR HA . 36061 1 410 . 1 1 42 42 THR HB H 1 3.832 0.005 . 1 . . . A 42 THR HB . 36061 1 411 . 1 1 42 42 THR HG1 H 1 5.196 0.000 . 1 . . . A 42 THR HG1 . 36061 1 412 . 1 1 42 42 THR HG21 H 1 0.900 0.008 . 1 . . . A 42 THR HG21 . 36061 1 413 . 1 1 42 42 THR HG22 H 1 0.900 0.008 . 1 . . . A 42 THR HG22 . 36061 1 414 . 1 1 42 42 THR HG23 H 1 0.900 0.008 . 1 . . . A 42 THR HG23 . 36061 1 415 . 1 1 42 42 THR C C 13 173.798 0.000 . 1 . . . A 42 THR C . 36061 1 416 . 1 1 42 42 THR CA C 13 64.139 0.085 . 1 . . . A 42 THR CA . 36061 1 417 . 1 1 42 42 THR CB C 13 69.450 0.254 . 1 . . . A 42 THR CB . 36061 1 418 . 1 1 42 42 THR CG2 C 13 21.989 0.153 . 1 . . . A 42 THR CG2 . 36061 1 419 . 1 1 42 42 THR N N 15 117.936 0.055 . 1 . . . A 42 THR N . 36061 1 420 . 1 1 43 43 LEU H H 1 9.143 0.008 . 1 . . . A 43 LEU H . 36061 1 421 . 1 1 43 43 LEU HA H 1 4.389 0.008 . 1 . . . A 43 LEU HA . 36061 1 422 . 1 1 43 43 LEU HB2 H 1 1.295 0.029 . 1 . . . A 43 LEU HB2 . 36061 1 423 . 1 1 43 43 LEU HB3 H 1 0.750 0.027 . 1 . . . A 43 LEU HB3 . 36061 1 424 . 1 1 43 43 LEU HG H 1 0.007 0.000 . 1 . . . A 43 LEU HG . 36061 1 425 . 1 1 43 43 LEU HD11 H 1 0.537 0.012 . 1 . . . A 43 LEU HD11 . 36061 1 426 . 1 1 43 43 LEU HD12 H 1 0.537 0.012 . 1 . . . A 43 LEU HD12 . 36061 1 427 . 1 1 43 43 LEU HD13 H 1 0.537 0.012 . 1 . . . A 43 LEU HD13 . 36061 1 428 . 1 1 43 43 LEU HD21 H 1 0.040 0.032 . 1 . . . A 43 LEU HD21 . 36061 1 429 . 1 1 43 43 LEU HD22 H 1 0.040 0.032 . 1 . . . A 43 LEU HD22 . 36061 1 430 . 1 1 43 43 LEU HD23 H 1 0.040 0.032 . 1 . . . A 43 LEU HD23 . 36061 1 431 . 1 1 43 43 LEU C C 13 175.188 0.000 . 1 . . . A 43 LEU C . 36061 1 432 . 1 1 43 43 LEU CA C 13 52.934 0.130 . 1 . . . A 43 LEU CA . 36061 1 433 . 1 1 43 43 LEU CB C 13 45.379 0.107 . 1 . . . A 43 LEU CB . 36061 1 434 . 1 1 43 43 LEU CG C 13 25.390 0.141 . 1 . . . A 43 LEU CG . 36061 1 435 . 1 1 43 43 LEU CD1 C 13 22.764 0.126 . 1 . . . A 43 LEU CD1 . 36061 1 436 . 1 1 43 43 LEU CD2 C 13 26.047 0.107 . 1 . . . A 43 LEU CD2 . 36061 1 437 . 1 1 43 43 LEU N N 15 127.738 0.065 . 1 . . . A 43 LEU N . 36061 1 438 . 1 1 44 44 TYR H H 1 8.556 0.008 . 1 . . . A 44 TYR H . 36061 1 439 . 1 1 44 44 TYR HA H 1 5.214 0.012 . 1 . . . A 44 TYR HA . 36061 1 440 . 1 1 44 44 TYR HB2 H 1 2.401 0.009 . 1 . . . A 44 TYR HB2 . 36061 1 441 . 1 1 44 44 TYR HB3 H 1 2.401 0.009 . 1 . . . A 44 TYR HB3 . 36061 1 442 . 1 1 44 44 TYR HD1 H 1 7.124 0.001 . 1 . . . A 44 TYR HD1 . 36061 1 443 . 1 1 44 44 TYR HD2 H 1 7.124 0.001 . 1 . . . A 44 TYR HD2 . 36061 1 444 . 1 1 44 44 TYR HE1 H 1 6.452 0.008 . 1 . . . A 44 TYR HE1 . 36061 1 445 . 1 1 44 44 TYR HE2 H 1 6.452 0.008 . 1 . . . A 44 TYR HE2 . 36061 1 446 . 1 1 44 44 TYR HH H 1 9.514 0.000 . 1 . . . A 44 TYR HH . 36061 1 447 . 1 1 44 44 TYR C C 13 175.932 0.000 . 1 . . . A 44 TYR C . 36061 1 448 . 1 1 44 44 TYR CA C 13 56.852 0.111 . 1 . . . A 44 TYR CA . 36061 1 449 . 1 1 44 44 TYR CB C 13 42.034 0.078 . 1 . . . A 44 TYR CB . 36061 1 450 . 1 1 44 44 TYR N N 15 116.389 0.035 . 1 . . . A 44 TYR N . 36061 1 451 . 1 1 45 45 VAL H H 1 8.334 0.012 . 1 . . . A 45 VAL H . 36061 1 452 . 1 1 45 45 VAL HA H 1 4.131 0.010 . 1 . . . A 45 VAL HA . 36061 1 453 . 1 1 45 45 VAL HB H 1 1.561 0.020 . 1 . . . A 45 VAL HB . 36061 1 454 . 1 1 45 45 VAL HG11 H 1 0.286 0.019 . 1 . . . A 45 VAL HG11 . 36061 1 455 . 1 1 45 45 VAL HG12 H 1 0.286 0.019 . 1 . . . A 45 VAL HG12 . 36061 1 456 . 1 1 45 45 VAL HG13 H 1 0.286 0.019 . 1 . . . A 45 VAL HG13 . 36061 1 457 . 1 1 45 45 VAL HG21 H 1 -0.012 0.011 . 1 . . . A 45 VAL HG21 . 36061 1 458 . 1 1 45 45 VAL HG22 H 1 -0.012 0.011 . 1 . . . A 45 VAL HG22 . 36061 1 459 . 1 1 45 45 VAL HG23 H 1 -0.012 0.011 . 1 . . . A 45 VAL HG23 . 36061 1 460 . 1 1 45 45 VAL C C 13 174.378 0.000 . 1 . . . A 45 VAL C . 36061 1 461 . 1 1 45 45 VAL CA C 13 62.871 0.034 . 1 . . . A 45 VAL CA . 36061 1 462 . 1 1 45 45 VAL CB C 13 31.426 0.143 . 1 . . . A 45 VAL CB . 36061 1 463 . 1 1 45 45 VAL CG1 C 13 19.972 0.067 . 1 . . . A 45 VAL CG1 . 36061 1 464 . 1 1 45 45 VAL CG2 C 13 21.366 0.070 . 1 . . . A 45 VAL CG2 . 36061 1 465 . 1 1 45 45 VAL N N 15 122.794 0.106 . 1 . . . A 45 VAL N . 36061 1 466 . 1 1 46 46 VAL H H 1 8.459 0.009 . 1 . . . A 46 VAL H . 36061 1 467 . 1 1 46 46 VAL HA H 1 4.202 0.013 . 1 . . . A 46 VAL HA . 36061 1 468 . 1 1 46 46 VAL HB H 1 1.508 0.013 . 1 . . . A 46 VAL HB . 36061 1 469 . 1 1 46 46 VAL HG11 H 1 0.658 0.008 . 1 . . . A 46 VAL HG11 . 36061 1 470 . 1 1 46 46 VAL HG12 H 1 0.658 0.008 . 1 . . . A 46 VAL HG12 . 36061 1 471 . 1 1 46 46 VAL HG13 H 1 0.658 0.008 . 1 . . . A 46 VAL HG13 . 36061 1 472 . 1 1 46 46 VAL HG21 H 1 0.682 0.009 . 1 . . . A 46 VAL HG21 . 36061 1 473 . 1 1 46 46 VAL HG22 H 1 0.682 0.009 . 1 . . . A 46 VAL HG22 . 36061 1 474 . 1 1 46 46 VAL HG23 H 1 0.682 0.009 . 1 . . . A 46 VAL HG23 . 36061 1 475 . 1 1 46 46 VAL C C 13 171.489 0.000 . 1 . . . A 46 VAL C . 36061 1 476 . 1 1 46 46 VAL CA C 13 59.901 0.134 . 1 . . . A 46 VAL CA . 36061 1 477 . 1 1 46 46 VAL CB C 13 34.168 0.191 . 1 . . . A 46 VAL CB . 36061 1 478 . 1 1 46 46 VAL CG1 C 13 21.839 0.071 . 1 . . . A 46 VAL CG1 . 36061 1 479 . 1 1 46 46 VAL CG2 C 13 19.977 0.131 . 1 . . . A 46 VAL CG2 . 36061 1 480 . 1 1 46 46 VAL N N 15 127.133 0.063 . 1 . . . A 46 VAL N . 36061 1 481 . 1 1 47 47 GLY H H 1 6.628 0.015 . 1 . . . A 47 GLY H . 36061 1 482 . 1 1 47 47 GLY HA2 H 1 3.448 0.013 . 1 . . . A 47 GLY HA2 . 36061 1 483 . 1 1 47 47 GLY HA3 H 1 2.302 0.009 . 1 . . . A 47 GLY HA3 . 36061 1 484 . 1 1 47 47 GLY C C 13 173.182 0.000 . 1 . . . A 47 GLY C . 36061 1 485 . 1 1 47 47 GLY CA C 13 45.040 0.131 . 1 . . . A 47 GLY CA . 36061 1 486 . 1 1 47 47 GLY N N 15 110.395 0.053 . 1 . . . A 47 GLY N . 36061 1 487 . 1 1 48 48 ASP H H 1 8.026 0.006 . 1 . . . A 48 ASP H . 36061 1 488 . 1 1 48 48 ASP HA H 1 3.788 0.021 . 1 . . . A 48 ASP HA . 36061 1 489 . 1 1 48 48 ASP HB2 H 1 3.044 0.007 . 1 . . . A 48 ASP HB2 . 36061 1 490 . 1 1 48 48 ASP HB3 H 1 2.334 0.010 . 1 . . . A 48 ASP HB3 . 36061 1 491 . 1 1 48 48 ASP C C 13 175.572 0.000 . 1 . . . A 48 ASP C . 36061 1 492 . 1 1 48 48 ASP CA C 13 53.769 0.087 . 1 . . . A 48 ASP CA . 36061 1 493 . 1 1 48 48 ASP CB C 13 38.320 0.052 . 1 . . . A 48 ASP CB . 36061 1 494 . 1 1 48 48 ASP N N 15 122.126 0.028 . 1 . . . A 48 ASP N . 36061 1 495 . 1 1 49 49 PHE H H 1 6.384 0.021 . 1 . . . A 49 PHE H . 36061 1 496 . 1 1 49 49 PHE HA H 1 4.161 0.005 . 1 . . . A 49 PHE HA . 36061 1 497 . 1 1 49 49 PHE HB2 H 1 3.203 0.008 . 1 . . . A 49 PHE HB2 . 36061 1 498 . 1 1 49 49 PHE HB3 H 1 2.326 0.008 . 1 . . . A 49 PHE HB3 . 36061 1 499 . 1 1 49 49 PHE HE1 H 1 7.392 0.000 . 1 . . . A 49 PHE HE1 . 36061 1 500 . 1 1 49 49 PHE HE2 H 1 7.392 0.000 . 1 . . . A 49 PHE HE2 . 36061 1 501 . 1 1 49 49 PHE C C 13 177.910 0.000 . 1 . . . A 49 PHE C . 36061 1 502 . 1 1 49 49 PHE CA C 13 56.782 0.139 . 1 . . . A 49 PHE CA . 36061 1 503 . 1 1 49 49 PHE CB C 13 39.855 0.065 . 1 . . . A 49 PHE CB . 36061 1 504 . 1 1 49 49 PHE N N 15 117.274 0.015 . 1 . . . A 49 PHE N . 36061 1 505 . 1 1 50 50 ALA H H 1 8.840 0.005 . 1 . . . A 50 ALA H . 36061 1 506 . 1 1 50 50 ALA HA H 1 4.188 0.010 . 1 . . . A 50 ALA HA . 36061 1 507 . 1 1 50 50 ALA HB1 H 1 1.564 0.007 . 1 . . . A 50 ALA HB1 . 36061 1 508 . 1 1 50 50 ALA HB2 H 1 1.564 0.007 . 1 . . . A 50 ALA HB2 . 36061 1 509 . 1 1 50 50 ALA HB3 H 1 1.564 0.007 . 1 . . . A 50 ALA HB3 . 36061 1 510 . 1 1 50 50 ALA C C 13 178.379 0.000 . 1 . . . A 50 ALA C . 36061 1 511 . 1 1 50 50 ALA CA C 13 55.348 0.145 . 1 . . . A 50 ALA CA . 36061 1 512 . 1 1 50 50 ALA CB C 13 18.193 0.109 . 1 . . . A 50 ALA CB . 36061 1 513 . 1 1 50 50 ALA N N 15 127.398 0.027 . 1 . . . A 50 ALA N . 36061 1 514 . 1 1 51 51 ASP H H 1 8.031 0.004 . 1 . . . A 51 ASP H . 36061 1 515 . 1 1 51 51 ASP HA H 1 4.535 0.005 . 1 . . . A 51 ASP HA . 36061 1 516 . 1 1 51 51 ASP HB2 H 1 2.917 0.010 . 1 . . . A 51 ASP HB2 . 36061 1 517 . 1 1 51 51 ASP HB3 H 1 2.558 0.016 . 1 . . . A 51 ASP HB3 . 36061 1 518 . 1 1 51 51 ASP C C 13 175.290 0.000 . 1 . . . A 51 ASP C . 36061 1 519 . 1 1 51 51 ASP CA C 13 53.323 0.120 . 1 . . . A 51 ASP CA . 36061 1 520 . 1 1 51 51 ASP CB C 13 41.455 0.133 . 1 . . . A 51 ASP CB . 36061 1 521 . 1 1 51 51 ASP N N 15 110.805 0.012 . 1 . . . A 51 ASP N . 36061 1 522 . 1 1 52 52 ALA H H 1 7.509 0.007 . 1 . . . A 52 ALA H . 36061 1 523 . 1 1 52 52 ALA HA H 1 4.588 0.013 . 1 . . . A 52 ALA HA . 36061 1 524 . 1 1 52 52 ALA HB1 H 1 1.581 0.015 . 1 . . . A 52 ALA HB1 . 36061 1 525 . 1 1 52 52 ALA HB2 H 1 1.581 0.015 . 1 . . . A 52 ALA HB2 . 36061 1 526 . 1 1 52 52 ALA HB3 H 1 1.581 0.015 . 1 . . . A 52 ALA HB3 . 36061 1 527 . 1 1 52 52 ALA C C 13 176.866 0.000 . 1 . . . A 52 ALA C . 36061 1 528 . 1 1 52 52 ALA CA C 13 53.367 0.094 . 1 . . . A 52 ALA CA . 36061 1 529 . 1 1 52 52 ALA CB C 13 20.743 0.065 . 1 . . . A 52 ALA CB . 36061 1 530 . 1 1 52 52 ALA N N 15 120.361 0.030 . 1 . . . A 52 ALA N . 36061 1 531 . 1 1 53 53 SER H H 1 8.741 0.008 . 1 . . . A 53 SER H . 36061 1 532 . 1 1 53 53 SER HA H 1 4.170 0.009 . 1 . . . A 53 SER HA . 36061 1 533 . 1 1 53 53 SER HB2 H 1 4.056 0.009 . 1 . . . A 53 SER HB2 . 36061 1 534 . 1 1 53 53 SER HB3 H 1 3.829 0.013 . 1 . . . A 53 SER HB3 . 36061 1 535 . 1 1 53 53 SER C C 13 173.712 0.000 . 1 . . . A 53 SER C . 36061 1 536 . 1 1 53 53 SER CA C 13 59.018 0.116 . 1 . . . A 53 SER CA . 36061 1 537 . 1 1 53 53 SER CB C 13 61.815 0.197 . 1 . . . A 53 SER CB . 36061 1 538 . 1 1 53 53 SER N N 15 114.336 0.037 . 1 . . . A 53 SER N . 36061 1 539 . 1 1 54 54 TRP H H 1 8.500 0.005 . 1 . . . A 54 TRP H . 36061 1 540 . 1 1 54 54 TRP HA H 1 3.710 0.010 . 1 . . . A 54 TRP HA . 36061 1 541 . 1 1 54 54 TRP HB2 H 1 3.700 0.002 . 1 . . . A 54 TRP HB2 . 36061 1 542 . 1 1 54 54 TRP HB3 H 1 3.355 0.011 . 1 . . . A 54 TRP HB3 . 36061 1 543 . 1 1 54 54 TRP HD1 H 1 7.157 0.000 . 1 . . . A 54 TRP HD1 . 36061 1 544 . 1 1 54 54 TRP HE1 H 1 10.410 0.005 . 1 . . . A 54 TRP HE1 . 36061 1 545 . 1 1 54 54 TRP C C 13 173.389 0.000 . 1 . . . A 54 TRP C . 36061 1 546 . 1 1 54 54 TRP CA C 13 59.514 0.124 . 1 . . . A 54 TRP CA . 36061 1 547 . 1 1 54 54 TRP CB C 13 25.966 0.118 . 1 . . . A 54 TRP CB . 36061 1 548 . 1 1 54 54 TRP N N 15 112.141 0.051 . 1 . . . A 54 TRP N . 36061 1 549 . 1 1 54 54 TRP NE1 N 15 128.405 0.026 . 1 . . . A 54 TRP NE1 . 36061 1 550 . 1 1 55 55 LYS H H 1 7.536 0.004 . 1 . . . A 55 LYS H . 36061 1 551 . 1 1 55 55 LYS HA H 1 4.580 0.019 . 1 . . . A 55 LYS HA . 36061 1 552 . 1 1 55 55 LYS HB2 H 1 1.791 0.013 . 1 . . . A 55 LYS HB2 . 36061 1 553 . 1 1 55 55 LYS HB3 H 1 1.725 0.008 . 1 . . . A 55 LYS HB3 . 36061 1 554 . 1 1 55 55 LYS HG2 H 1 1.539 0.008 . 1 . . . A 55 LYS HG2 . 36061 1 555 . 1 1 55 55 LYS HG3 H 1 1.539 0.008 . 1 . . . A 55 LYS HG3 . 36061 1 556 . 1 1 55 55 LYS HD2 H 1 1.385 0.003 . 1 . . . A 55 LYS HD2 . 36061 1 557 . 1 1 55 55 LYS HD3 H 1 1.385 0.003 . 1 . . . A 55 LYS HD3 . 36061 1 558 . 1 1 55 55 LYS HE2 H 1 3.047 0.023 . 1 . . . A 55 LYS HE2 . 36061 1 559 . 1 1 55 55 LYS HE3 H 1 3.047 0.023 . 1 . . . A 55 LYS HE3 . 36061 1 560 . 1 1 55 55 LYS C C 13 177.557 0.000 . 1 . . . A 55 LYS C . 36061 1 561 . 1 1 55 55 LYS CA C 13 54.537 0.162 . 1 . . . A 55 LYS CA . 36061 1 562 . 1 1 55 55 LYS CB C 13 35.170 0.033 . 1 . . . A 55 LYS CB . 36061 1 563 . 1 1 55 55 LYS CG C 13 24.602 0.028 . 1 . . . A 55 LYS CG . 36061 1 564 . 1 1 55 55 LYS CD C 13 28.647 0.000 . 1 . . . A 55 LYS CD . 36061 1 565 . 1 1 55 55 LYS CE C 13 42.424 0.000 . 1 . . . A 55 LYS CE . 36061 1 566 . 1 1 55 55 LYS N N 15 115.585 0.030 . 1 . . . A 55 LYS N . 36061 1 567 . 1 1 56 56 GLN H H 1 8.359 0.008 . 1 . . . A 56 GLN H . 36061 1 568 . 1 1 56 56 GLN HA H 1 4.577 0.000 . 1 . . . A 56 GLN HA . 36061 1 569 . 1 1 56 56 GLN HB2 H 1 1.332 0.007 . 1 . . . A 56 GLN HB2 . 36061 1 570 . 1 1 56 56 GLN HB3 H 1 1.332 0.007 . 1 . . . A 56 GLN HB3 . 36061 1 571 . 1 1 56 56 GLN HG2 H 1 1.586 0.007 . 1 . . . A 56 GLN HG2 . 36061 1 572 . 1 1 56 56 GLN HG3 H 1 1.327 0.004 . 1 . . . A 56 GLN HG3 . 36061 1 573 . 1 1 56 56 GLN HE21 H 1 6.967 0.007 . 1 . . . A 56 GLN HE21 . 36061 1 574 . 1 1 56 56 GLN HE22 H 1 6.967 0.007 . 1 . . . A 56 GLN HE22 . 36061 1 575 . 1 1 56 56 GLN C C 13 174.488 0.000 . 1 . . . A 56 GLN C . 36061 1 576 . 1 1 56 56 GLN CA C 13 57.956 0.151 . 1 . . . A 56 GLN CA . 36061 1 577 . 1 1 56 56 GLN CG C 13 34.318 0.066 . 1 . . . A 56 GLN CG . 36061 1 578 . 1 1 56 56 GLN CD C 13 180.007 0.000 . 1 . . . A 56 GLN CD . 36061 1 579 . 1 1 56 56 GLN N N 15 123.325 0.045 . 1 . . . A 56 GLN N . 36061 1 580 . 1 1 56 56 GLN NE2 N 15 113.873 0.039 . 1 . . . A 56 GLN NE2 . 36061 1 581 . 1 1 57 57 LYS H H 1 8.154 0.012 . 1 . . . A 57 LYS H . 36061 1 582 . 1 1 57 57 LYS HA H 1 3.617 0.000 . 1 . . . A 57 LYS HA . 36061 1 583 . 1 1 57 57 LYS HB2 H 1 1.734 0.000 . 1 . . . A 57 LYS HB2 . 36061 1 584 . 1 1 57 57 LYS HB3 H 1 1.734 0.000 . 1 . . . A 57 LYS HB3 . 36061 1 585 . 1 1 57 57 LYS N N 15 125.379 0.032 . 1 . . . A 57 LYS N . 36061 1 586 . 1 1 58 58 PRO HA H 1 4.431 0.009 . 1 . . . A 58 PRO HA . 36061 1 587 . 1 1 58 58 PRO HB2 H 1 2.559 0.004 . 1 . . . A 58 PRO HB2 . 36061 1 588 . 1 1 58 58 PRO HB3 H 1 2.208 0.010 . 1 . . . A 58 PRO HB3 . 36061 1 589 . 1 1 58 58 PRO HG2 H 1 2.331 0.004 . 1 . . . A 58 PRO HG2 . 36061 1 590 . 1 1 58 58 PRO HG3 H 1 2.233 0.010 . 1 . . . A 58 PRO HG3 . 36061 1 591 . 1 1 58 58 PRO HD2 H 1 3.976 0.022 . 1 . . . A 58 PRO HD2 . 36061 1 592 . 1 1 58 58 PRO HD3 H 1 3.976 0.022 . 1 . . . A 58 PRO HD3 . 36061 1 593 . 1 1 58 58 PRO C C 13 178.505 0.000 . 1 . . . A 58 PRO C . 36061 1 594 . 1 1 58 58 PRO CA C 13 66.053 0.113 . 1 . . . A 58 PRO CA . 36061 1 595 . 1 1 58 58 PRO CB C 13 32.350 0.041 . 1 . . . A 58 PRO CB . 36061 1 596 . 1 1 58 58 PRO CG C 13 27.617 0.066 . 1 . . . A 58 PRO CG . 36061 1 597 . 1 1 58 58 PRO CD C 13 50.883 0.000 . 1 . . . A 58 PRO CD . 36061 1 598 . 1 1 59 59 HIS H H 1 8.045 0.007 . 1 . . . A 59 HIS H . 36061 1 599 . 1 1 59 59 HIS HA H 1 4.708 0.017 . 1 . . . A 59 HIS HA . 36061 1 600 . 1 1 59 59 HIS HB2 H 1 3.288 0.008 . 1 . . . A 59 HIS HB2 . 36061 1 601 . 1 1 59 59 HIS HB3 H 1 3.016 0.010 . 1 . . . A 59 HIS HB3 . 36061 1 602 . 1 1 59 59 HIS C C 13 175.840 0.000 . 1 . . . A 59 HIS C . 36061 1 603 . 1 1 59 59 HIS CA C 13 58.425 0.062 . 1 . . . A 59 HIS CA . 36061 1 604 . 1 1 59 59 HIS CB C 13 29.086 0.049 . 1 . . . A 59 HIS CB . 36061 1 605 . 1 1 59 59 HIS N N 15 112.701 0.042 . 1 . . . A 59 HIS N . 36061 1 606 . 1 1 60 60 ARG H H 1 7.553 0.006 . 1 . . . A 60 ARG H . 36061 1 607 . 1 1 60 60 ARG HA H 1 3.881 0.006 . 1 . . . A 60 ARG HA . 36061 1 608 . 1 1 60 60 ARG HB2 H 1 1.380 0.010 . 1 . . . A 60 ARG HB2 . 36061 1 609 . 1 1 60 60 ARG HB3 H 1 1.380 0.010 . 1 . . . A 60 ARG HB3 . 36061 1 610 . 1 1 60 60 ARG HG2 H 1 0.772 0.004 . 1 . . . A 60 ARG HG2 . 36061 1 611 . 1 1 60 60 ARG HG3 H 1 0.355 0.020 . 1 . . . A 60 ARG HG3 . 36061 1 612 . 1 1 60 60 ARG HD2 H 1 2.689 0.024 . 1 . . . A 60 ARG HD2 . 36061 1 613 . 1 1 60 60 ARG HD3 H 1 2.539 0.004 . 1 . . . A 60 ARG HD3 . 36061 1 614 . 1 1 60 60 ARG HH21 H 1 6.455 0.004 . 1 . . . A 60 ARG HH21 . 36061 1 615 . 1 1 60 60 ARG HH22 H 1 6.455 0.004 . 1 . . . A 60 ARG HH22 . 36061 1 616 . 1 1 60 60 ARG C C 13 173.164 0.000 . 1 . . . A 60 ARG C . 36061 1 617 . 1 1 60 60 ARG CA C 13 55.645 0.124 . 1 . . . A 60 ARG CA . 36061 1 618 . 1 1 60 60 ARG CB C 13 29.762 0.068 . 1 . . . A 60 ARG CB . 36061 1 619 . 1 1 60 60 ARG CD C 13 42.171 0.089 . 1 . . . A 60 ARG CD . 36061 1 620 . 1 1 60 60 ARG N N 15 121.236 0.054 . 1 . . . A 60 ARG N . 36061 1 621 . 1 1 61 61 ALA H H 1 6.926 0.006 . 1 . . . A 61 ALA H . 36061 1 622 . 1 1 61 61 ALA HA H 1 4.261 0.013 . 1 . . . A 61 ALA HA . 36061 1 623 . 1 1 61 61 ALA HB1 H 1 1.050 0.008 . 1 . . . A 61 ALA HB1 . 36061 1 624 . 1 1 61 61 ALA HB2 H 1 1.050 0.008 . 1 . . . A 61 ALA HB2 . 36061 1 625 . 1 1 61 61 ALA HB3 H 1 1.050 0.008 . 1 . . . A 61 ALA HB3 . 36061 1 626 . 1 1 61 61 ALA C C 13 177.956 0.000 . 1 . . . A 61 ALA C . 36061 1 627 . 1 1 61 61 ALA CA C 13 51.290 0.169 . 1 . . . A 61 ALA CA . 36061 1 628 . 1 1 61 61 ALA CB C 13 19.445 0.081 . 1 . . . A 61 ALA CB . 36061 1 629 . 1 1 61 61 ALA N N 15 120.060 0.038 . 1 . . . A 61 ALA N . 36061 1 630 . 1 1 62 62 TYR H H 1 8.684 0.007 . 1 . . . A 62 TYR H . 36061 1 631 . 1 1 62 62 TYR HA H 1 4.259 0.008 . 1 . . . A 62 TYR HA . 36061 1 632 . 1 1 62 62 TYR HB2 H 1 2.925 0.026 . 1 . . . A 62 TYR HB2 . 36061 1 633 . 1 1 62 62 TYR HB3 H 1 2.925 0.026 . 1 . . . A 62 TYR HB3 . 36061 1 634 . 1 1 62 62 TYR HD1 H 1 6.594 0.000 . 1 . . . A 62 TYR HD1 . 36061 1 635 . 1 1 62 62 TYR HD2 H 1 6.594 0.000 . 1 . . . A 62 TYR HD2 . 36061 1 636 . 1 1 62 62 TYR HE1 H 1 6.456 0.007 . 1 . . . A 62 TYR HE1 . 36061 1 637 . 1 1 62 62 TYR HE2 H 1 6.456 0.007 . 1 . . . A 62 TYR HE2 . 36061 1 638 . 1 1 62 62 TYR HH H 1 10.003 0.000 . 1 . . . A 62 TYR HH . 36061 1 639 . 1 1 62 62 TYR C C 13 177.324 0.000 . 1 . . . A 62 TYR C . 36061 1 640 . 1 1 62 62 TYR CA C 13 58.773 0.116 . 1 . . . A 62 TYR CA . 36061 1 641 . 1 1 62 62 TYR CB C 13 40.250 0.035 . 1 . . . A 62 TYR CB . 36061 1 642 . 1 1 62 62 TYR N N 15 119.289 0.029 . 1 . . . A 62 TYR N . 36061 1 643 . 1 1 63 63 ARG H H 1 9.322 0.009 . 1 . . . A 63 ARG H . 36061 1 644 . 1 1 63 63 ARG HA H 1 4.796 0.006 . 1 . . . A 63 ARG HA . 36061 1 645 . 1 1 63 63 ARG HB2 H 1 1.868 0.022 . 1 . . . A 63 ARG HB2 . 36061 1 646 . 1 1 63 63 ARG HB3 H 1 1.868 0.022 . 1 . . . A 63 ARG HB3 . 36061 1 647 . 1 1 63 63 ARG HG2 H 1 1.721 0.021 . 1 . . . A 63 ARG HG2 . 36061 1 648 . 1 1 63 63 ARG HG3 H 1 1.721 0.021 . 1 . . . A 63 ARG HG3 . 36061 1 649 . 1 1 63 63 ARG HD2 H 1 3.232 0.009 . 1 . . . A 63 ARG HD2 . 36061 1 650 . 1 1 63 63 ARG HD3 H 1 3.232 0.009 . 1 . . . A 63 ARG HD3 . 36061 1 651 . 1 1 63 63 ARG HE H 1 7.281 0.005 . 1 . . . A 63 ARG HE . 36061 1 652 . 1 1 63 63 ARG HH11 H 1 6.596 0.005 . 1 . . . A 63 ARG HH11 . 36061 1 653 . 1 1 63 63 ARG HH12 H 1 6.596 0.005 . 1 . . . A 63 ARG HH12 . 36061 1 654 . 1 1 63 63 ARG HH21 H 1 6.596 0.005 . 1 . . . A 63 ARG HH21 . 36061 1 655 . 1 1 63 63 ARG HH22 H 1 6.596 0.005 . 1 . . . A 63 ARG HH22 . 36061 1 656 . 1 1 63 63 ARG C C 13 175.496 0.000 . 1 . . . A 63 ARG C . 36061 1 657 . 1 1 63 63 ARG CA C 13 53.974 0.113 . 1 . . . A 63 ARG CA . 36061 1 658 . 1 1 63 63 ARG CB C 13 31.535 0.052 . 1 . . . A 63 ARG CB . 36061 1 659 . 1 1 63 63 ARG CG C 13 27.343 0.000 . 1 . . . A 63 ARG CG . 36061 1 660 . 1 1 63 63 ARG CD C 13 43.202 0.034 . 1 . . . A 63 ARG CD . 36061 1 661 . 1 1 63 63 ARG CZ C 13 159.511 0.000 . 1 . . . A 63 ARG CZ . 36061 1 662 . 1 1 63 63 ARG N N 15 121.763 0.031 . 1 . . . A 63 ARG N . 36061 1 663 . 1 1 63 63 ARG NE N 15 86.685 0.022 . 1 . . . A 63 ARG NE . 36061 1 664 . 1 1 64 64 TYR H H 1 9.585 0.009 . 1 . . . A 64 TYR H . 36061 1 665 . 1 1 64 64 TYR HA H 1 4.473 0.004 . 1 . . . A 64 TYR HA . 36061 1 666 . 1 1 64 64 TYR HB2 H 1 3.164 0.013 . 1 . . . A 64 TYR HB2 . 36061 1 667 . 1 1 64 64 TYR HB3 H 1 2.806 0.006 . 1 . . . A 64 TYR HB3 . 36061 1 668 . 1 1 64 64 TYR HD1 H 1 6.865 0.000 . 1 . . . A 64 TYR HD1 . 36061 1 669 . 1 1 64 64 TYR HD2 H 1 6.638 0.010 . 1 . . . A 64 TYR HD2 . 36061 1 670 . 1 1 64 64 TYR HH H 1 10.008 0.000 . 1 . . . A 64 TYR HH . 36061 1 671 . 1 1 64 64 TYR C C 13 175.746 0.000 . 1 . . . A 64 TYR C . 36061 1 672 . 1 1 64 64 TYR CA C 13 58.375 0.089 . 1 . . . A 64 TYR CA . 36061 1 673 . 1 1 64 64 TYR CB C 13 37.359 0.063 . 1 . . . A 64 TYR CB . 36061 1 674 . 1 1 64 64 TYR N N 15 124.608 0.046 . 1 . . . A 64 TYR N . 36061 1 675 . 1 1 65 65 VAL H H 1 7.773 0.006 . 1 . . . A 65 VAL H . 36061 1 676 . 1 1 65 65 VAL HA H 1 4.257 0.017 . 1 . . . A 65 VAL HA . 36061 1 677 . 1 1 65 65 VAL HB H 1 1.561 0.000 . 1 . . . A 65 VAL HB . 36061 1 678 . 1 1 65 65 VAL HG11 H 1 0.713 0.013 . 1 . . . A 65 VAL HG11 . 36061 1 679 . 1 1 65 65 VAL HG12 H 1 0.713 0.013 . 1 . . . A 65 VAL HG12 . 36061 1 680 . 1 1 65 65 VAL HG13 H 1 0.713 0.013 . 1 . . . A 65 VAL HG13 . 36061 1 681 . 1 1 65 65 VAL HG21 H 1 0.734 0.005 . 1 . . . A 65 VAL HG21 . 36061 1 682 . 1 1 65 65 VAL HG22 H 1 0.734 0.005 . 1 . . . A 65 VAL HG22 . 36061 1 683 . 1 1 65 65 VAL HG23 H 1 0.734 0.005 . 1 . . . A 65 VAL HG23 . 36061 1 684 . 1 1 65 65 VAL CA C 13 60.284 0.000 . 1 . . . A 65 VAL CA . 36061 1 685 . 1 1 65 65 VAL CG2 C 13 20.037 0.014 . 1 . . . A 65 VAL CG2 . 36061 1 686 . 1 1 65 65 VAL N N 15 117.255 0.038 . 1 . . . A 65 VAL N . 36061 1 687 . 1 1 66 66 GLY H H 1 8.299 0.005 . 1 . . . A 66 GLY H . 36061 1 688 . 1 1 66 66 GLY HA2 H 1 4.167 0.022 . 1 . . . A 66 GLY HA2 . 36061 1 689 . 1 1 66 66 GLY HA3 H 1 3.119 0.016 . 1 . . . A 66 GLY HA3 . 36061 1 690 . 1 1 66 66 GLY C C 13 171.664 0.000 . 1 . . . A 66 GLY C . 36061 1 691 . 1 1 66 66 GLY CA C 13 44.397 0.050 . 1 . . . A 66 GLY CA . 36061 1 692 . 1 1 66 66 GLY N N 15 109.157 0.028 . 1 . . . A 66 GLY N . 36061 1 693 . 1 1 67 67 GLU H H 1 8.632 0.007 . 1 . . . A 67 GLU H . 36061 1 694 . 1 1 67 67 GLU HA H 1 3.780 0.010 . 1 . . . A 67 GLU HA . 36061 1 695 . 1 1 67 67 GLU HB2 H 1 1.913 0.010 . 1 . . . A 67 GLU HB2 . 36061 1 696 . 1 1 67 67 GLU HB3 H 1 1.639 0.018 . 1 . . . A 67 GLU HB3 . 36061 1 697 . 1 1 67 67 GLU HG2 H 1 1.847 0.018 . 1 . . . A 67 GLU HG2 . 36061 1 698 . 1 1 67 67 GLU HG3 H 1 1.847 0.018 . 1 . . . A 67 GLU HG3 . 36061 1 699 . 1 1 67 67 GLU C C 13 177.848 0.000 . 1 . . . A 67 GLU C . 36061 1 700 . 1 1 67 67 GLU CA C 13 56.627 0.126 . 1 . . . A 67 GLU CA . 36061 1 701 . 1 1 67 67 GLU CB C 13 27.212 0.116 . 1 . . . A 67 GLU CB . 36061 1 702 . 1 1 67 67 GLU CG C 13 35.955 0.040 . 1 . . . A 67 GLU CG . 36061 1 703 . 1 1 67 67 GLU N N 15 112.701 0.067 . 1 . . . A 67 GLU N . 36061 1 704 . 1 1 68 68 ASN H H 1 8.389 0.003 . 1 . . . A 68 ASN H . 36061 1 705 . 1 1 68 68 ASN HA H 1 4.293 0.007 . 1 . . . A 68 ASN HA . 36061 1 706 . 1 1 68 68 ASN HB2 H 1 3.353 0.013 . 1 . . . A 68 ASN HB2 . 36061 1 707 . 1 1 68 68 ASN HB3 H 1 3.175 0.013 . 1 . . . A 68 ASN HB3 . 36061 1 708 . 1 1 68 68 ASN HD21 H 1 7.540 0.005 . 1 . . . A 68 ASN HD21 . 36061 1 709 . 1 1 68 68 ASN HD22 H 1 7.045 0.004 . 1 . . . A 68 ASN HD22 . 36061 1 710 . 1 1 68 68 ASN C C 13 172.948 0.000 . 1 . . . A 68 ASN C . 36061 1 711 . 1 1 68 68 ASN CA C 13 55.535 0.121 . 1 . . . A 68 ASN CA . 36061 1 712 . 1 1 68 68 ASN CB C 13 38.239 0.166 . 1 . . . A 68 ASN CB . 36061 1 713 . 1 1 68 68 ASN N N 15 110.930 0.043 . 1 . . . A 68 ASN N . 36061 1 714 . 1 1 68 68 ASN ND2 N 15 112.679 0.060 . 1 . . . A 68 ASN ND2 . 36061 1 715 . 1 1 69 69 THR H H 1 7.953 0.011 . 1 . . . A 69 THR H . 36061 1 716 . 1 1 69 69 THR HA H 1 5.617 0.009 . 1 . . . A 69 THR HA . 36061 1 717 . 1 1 69 69 THR HB H 1 4.300 0.008 . 1 . . . A 69 THR HB . 36061 1 718 . 1 1 69 69 THR HG21 H 1 1.178 0.009 . 1 . . . A 69 THR HG21 . 36061 1 719 . 1 1 69 69 THR HG22 H 1 1.178 0.009 . 1 . . . A 69 THR HG22 . 36061 1 720 . 1 1 69 69 THR HG23 H 1 1.178 0.009 . 1 . . . A 69 THR HG23 . 36061 1 721 . 1 1 69 69 THR C C 13 170.916 0.000 . 1 . . . A 69 THR C . 36061 1 722 . 1 1 69 69 THR CA C 13 62.700 0.115 . 1 . . . A 69 THR CA . 36061 1 723 . 1 1 69 69 THR CB C 13 70.164 0.123 . 1 . . . A 69 THR CB . 36061 1 724 . 1 1 69 69 THR CG2 C 13 20.295 0.018 . 1 . . . A 69 THR CG2 . 36061 1 725 . 1 1 69 69 THR N N 15 116.070 0.025 . 1 . . . A 69 THR N . 36061 1 726 . 1 1 70 70 TYR H H 1 9.431 0.004 . 1 . . . A 70 TYR H . 36061 1 727 . 1 1 70 70 TYR HA H 1 5.612 0.013 . 1 . . . A 70 TYR HA . 36061 1 728 . 1 1 70 70 TYR HB2 H 1 2.970 0.016 . 1 . . . A 70 TYR HB2 . 36061 1 729 . 1 1 70 70 TYR HB3 H 1 2.522 0.007 . 1 . . . A 70 TYR HB3 . 36061 1 730 . 1 1 70 70 TYR HD1 H 1 7.012 0.018 . 1 . . . A 70 TYR HD1 . 36061 1 731 . 1 1 70 70 TYR HD2 H 1 7.012 0.018 . 1 . . . A 70 TYR HD2 . 36061 1 732 . 1 1 70 70 TYR HE1 H 1 6.604 0.001 . 1 . . . A 70 TYR HE1 . 36061 1 733 . 1 1 70 70 TYR HE2 H 1 6.604 0.001 . 1 . . . A 70 TYR HE2 . 36061 1 734 . 1 1 70 70 TYR C C 13 176.240 0.000 . 1 . . . A 70 TYR C . 36061 1 735 . 1 1 70 70 TYR CA C 13 56.073 0.075 . 1 . . . A 70 TYR CA . 36061 1 736 . 1 1 70 70 TYR CB C 13 42.140 0.037 . 1 . . . A 70 TYR CB . 36061 1 737 . 1 1 70 70 TYR N N 15 123.802 0.015 . 1 . . . A 70 TYR N . 36061 1 738 . 1 1 71 71 GLN H H 1 9.668 0.010 . 1 . . . A 71 GLN H . 36061 1 739 . 1 1 71 71 GLN HA H 1 6.251 0.003 . 1 . . . A 71 GLN HA . 36061 1 740 . 1 1 71 71 GLN HB2 H 1 2.054 0.018 . 1 . . . A 71 GLN HB2 . 36061 1 741 . 1 1 71 71 GLN HB3 H 1 2.054 0.018 . 1 . . . A 71 GLN HB3 . 36061 1 742 . 1 1 71 71 GLN HG2 H 1 2.688 0.015 . 1 . . . A 71 GLN HG2 . 36061 1 743 . 1 1 71 71 GLN HG3 H 1 2.688 0.015 . 1 . . . A 71 GLN HG3 . 36061 1 744 . 1 1 71 71 GLN HE21 H 1 7.013 0.012 . 1 . . . A 71 GLN HE21 . 36061 1 745 . 1 1 71 71 GLN HE22 H 1 5.936 0.021 . 1 . . . A 71 GLN HE22 . 36061 1 746 . 1 1 71 71 GLN C C 13 174.889 0.000 . 1 . . . A 71 GLN C . 36061 1 747 . 1 1 71 71 GLN CA C 13 55.259 0.088 . 1 . . . A 71 GLN CA . 36061 1 748 . 1 1 71 71 GLN CB C 13 35.022 0.000 . 1 . . . A 71 GLN CB . 36061 1 749 . 1 1 71 71 GLN N N 15 118.553 0.029 . 1 . . . A 71 GLN N . 36061 1 750 . 1 1 71 71 GLN NE2 N 15 114.218 0.027 . 1 . . . A 71 GLN NE2 . 36061 1 751 . 1 1 72 72 ALA H H 1 9.448 0.008 . 1 . . . A 72 ALA H . 36061 1 752 . 1 1 72 72 ALA HA H 1 4.665 0.010 . 1 . . . A 72 ALA HA . 36061 1 753 . 1 1 72 72 ALA HB1 H 1 0.436 0.009 . 1 . . . A 72 ALA HB1 . 36061 1 754 . 1 1 72 72 ALA HB2 H 1 0.436 0.009 . 1 . . . A 72 ALA HB2 . 36061 1 755 . 1 1 72 72 ALA HB3 H 1 0.436 0.009 . 1 . . . A 72 ALA HB3 . 36061 1 756 . 1 1 72 72 ALA C C 13 175.284 0.000 . 1 . . . A 72 ALA C . 36061 1 757 . 1 1 72 72 ALA CA C 13 51.171 0.118 . 1 . . . A 72 ALA CA . 36061 1 758 . 1 1 72 72 ALA CB C 13 20.314 0.040 . 1 . . . A 72 ALA CB . 36061 1 759 . 1 1 72 72 ALA N N 15 127.201 0.032 . 1 . . . A 72 ALA N . 36061 1 760 . 1 1 73 73 VAL H H 1 8.816 0.006 . 1 . . . A 73 VAL H . 36061 1 761 . 1 1 73 73 VAL HA H 1 5.020 0.021 . 1 . . . A 73 VAL HA . 36061 1 762 . 1 1 73 73 VAL HB H 1 2.047 0.012 . 1 . . . A 73 VAL HB . 36061 1 763 . 1 1 73 73 VAL HG11 H 1 0.941 0.006 . 1 . . . A 73 VAL HG11 . 36061 1 764 . 1 1 73 73 VAL HG12 H 1 0.941 0.006 . 1 . . . A 73 VAL HG12 . 36061 1 765 . 1 1 73 73 VAL HG13 H 1 0.941 0.006 . 1 . . . A 73 VAL HG13 . 36061 1 766 . 1 1 73 73 VAL HG21 H 1 0.848 0.015 . 1 . . . A 73 VAL HG21 . 36061 1 767 . 1 1 73 73 VAL HG22 H 1 0.848 0.015 . 1 . . . A 73 VAL HG22 . 36061 1 768 . 1 1 73 73 VAL HG23 H 1 0.848 0.015 . 1 . . . A 73 VAL HG23 . 36061 1 769 . 1 1 73 73 VAL C C 13 176.211 0.000 . 1 . . . A 73 VAL C . 36061 1 770 . 1 1 73 73 VAL CA C 13 62.262 0.188 . 1 . . . A 73 VAL CA . 36061 1 771 . 1 1 73 73 VAL CB C 13 31.254 0.132 . 1 . . . A 73 VAL CB . 36061 1 772 . 1 1 73 73 VAL CG2 C 13 21.588 0.043 . 1 . . . A 73 VAL CG2 . 36061 1 773 . 1 1 73 73 VAL N N 15 126.976 0.026 . 1 . . . A 73 VAL N . 36061 1 774 . 1 1 74 74 VAL H H 1 9.353 0.007 . 1 . . . A 74 VAL H . 36061 1 775 . 1 1 74 74 VAL HA H 1 4.364 0.022 . 1 . . . A 74 VAL HA . 36061 1 776 . 1 1 74 74 VAL HB H 1 2.121 0.007 . 1 . . . A 74 VAL HB . 36061 1 777 . 1 1 74 74 VAL HG11 H 1 0.743 0.012 . 1 . . . A 74 VAL HG11 . 36061 1 778 . 1 1 74 74 VAL HG12 H 1 0.743 0.012 . 1 . . . A 74 VAL HG12 . 36061 1 779 . 1 1 74 74 VAL HG13 H 1 0.743 0.012 . 1 . . . A 74 VAL HG13 . 36061 1 780 . 1 1 74 74 VAL HG21 H 1 0.779 0.005 . 1 . . . A 74 VAL HG21 . 36061 1 781 . 1 1 74 74 VAL HG22 H 1 0.779 0.005 . 1 . . . A 74 VAL HG22 . 36061 1 782 . 1 1 74 74 VAL HG23 H 1 0.779 0.005 . 1 . . . A 74 VAL HG23 . 36061 1 783 . 1 1 74 74 VAL C C 13 174.224 0.000 . 1 . . . A 74 VAL C . 36061 1 784 . 1 1 74 74 VAL CA C 13 61.822 0.317 . 1 . . . A 74 VAL CA . 36061 1 785 . 1 1 74 74 VAL CB C 13 37.120 0.104 . 1 . . . A 74 VAL CB . 36061 1 786 . 1 1 74 74 VAL CG1 C 13 21.717 0.046 . 1 . . . A 74 VAL CG1 . 36061 1 787 . 1 1 74 74 VAL CG2 C 13 21.147 0.016 . 1 . . . A 74 VAL CG2 . 36061 1 788 . 1 1 74 74 VAL N N 15 129.456 0.024 . 1 . . . A 74 VAL N . 36061 1 789 . 1 1 75 75 ASP H H 1 8.539 0.007 . 1 . . . A 75 ASP H . 36061 1 790 . 1 1 75 75 ASP HA H 1 4.633 0.013 . 1 . . . A 75 ASP HA . 36061 1 791 . 1 1 75 75 ASP HB2 H 1 2.660 0.016 . 1 . . . A 75 ASP HB2 . 36061 1 792 . 1 1 75 75 ASP HB3 H 1 2.506 0.011 . 1 . . . A 75 ASP HB3 . 36061 1 793 . 1 1 75 75 ASP C C 13 174.524 0.000 . 1 . . . A 75 ASP C . 36061 1 794 . 1 1 75 75 ASP CA C 13 54.984 0.028 . 1 . . . A 75 ASP CA . 36061 1 795 . 1 1 75 75 ASP CB C 13 40.707 0.066 . 1 . . . A 75 ASP CB . 36061 1 796 . 1 1 75 75 ASP N N 15 126.247 0.156 . 1 . . . A 75 ASP N . 36061 1 797 . 1 1 76 76 GLU H H 1 8.936 0.005 . 1 . . . A 76 GLU H . 36061 1 798 . 1 1 76 76 GLU HA H 1 5.092 0.011 . 1 . . . A 76 GLU HA . 36061 1 799 . 1 1 76 76 GLU HB2 H 1 1.938 0.004 . 1 . . . A 76 GLU HB2 . 36061 1 800 . 1 1 76 76 GLU HB3 H 1 1.938 0.004 . 1 . . . A 76 GLU HB3 . 36061 1 801 . 1 1 76 76 GLU HG2 H 1 2.529 0.005 . 1 . . . A 76 GLU HG2 . 36061 1 802 . 1 1 76 76 GLU HG3 H 1 2.529 0.005 . 1 . . . A 76 GLU HG3 . 36061 1 803 . 1 1 76 76 GLU C C 13 178.747 0.000 . 1 . . . A 76 GLU C . 36061 1 804 . 1 1 76 76 GLU CA C 13 54.941 0.043 . 1 . . . A 76 GLU CA . 36061 1 805 . 1 1 76 76 GLU CB C 13 32.264 0.000 . 1 . . . A 76 GLU CB . 36061 1 806 . 1 1 76 76 GLU N N 15 126.501 0.018 . 1 . . . A 76 GLU N . 36061 1 807 . 1 1 77 77 LYS H H 1 8.891 0.020 . 1 . . . A 77 LYS H . 36061 1 808 . 1 1 77 77 LYS HA H 1 4.545 0.009 . 1 . . . A 77 LYS HA . 36061 1 809 . 1 1 77 77 LYS HB2 H 1 2.122 0.014 . 1 . . . A 77 LYS HB2 . 36061 1 810 . 1 1 77 77 LYS HB3 H 1 1.767 0.021 . 1 . . . A 77 LYS HB3 . 36061 1 811 . 1 1 77 77 LYS HG2 H 1 1.669 0.011 . 1 . . . A 77 LYS HG2 . 36061 1 812 . 1 1 77 77 LYS HG3 H 1 1.669 0.011 . 1 . . . A 77 LYS HG3 . 36061 1 813 . 1 1 77 77 LYS HD2 H 1 1.606 0.003 . 1 . . . A 77 LYS HD2 . 36061 1 814 . 1 1 77 77 LYS HD3 H 1 1.606 0.003 . 1 . . . A 77 LYS HD3 . 36061 1 815 . 1 1 77 77 LYS HE2 H 1 3.030 0.013 . 1 . . . A 77 LYS HE2 . 36061 1 816 . 1 1 77 77 LYS HE3 H 1 3.030 0.013 . 1 . . . A 77 LYS HE3 . 36061 1 817 . 1 1 77 77 LYS C C 13 175.536 0.000 . 1 . . . A 77 LYS C . 36061 1 818 . 1 1 77 77 LYS CA C 13 54.409 0.137 . 1 . . . A 77 LYS CA . 36061 1 819 . 1 1 77 77 LYS CB C 13 34.023 0.096 . 1 . . . A 77 LYS CB . 36061 1 820 . 1 1 77 77 LYS CG C 13 25.225 0.061 . 1 . . . A 77 LYS CG . 36061 1 821 . 1 1 77 77 LYS CD C 13 28.579 0.000 . 1 . . . A 77 LYS CD . 36061 1 822 . 1 1 77 77 LYS N N 15 122.537 0.093 . 1 . . . A 77 LYS N . 36061 1 823 . 1 1 78 78 ALA H H 1 7.956 0.004 . 1 . . . A 78 ALA H . 36061 1 824 . 1 1 78 78 ALA HA H 1 4.244 0.010 . 1 . . . A 78 ALA HA . 36061 1 825 . 1 1 78 78 ALA HB1 H 1 1.194 0.010 . 1 . . . A 78 ALA HB1 . 36061 1 826 . 1 1 78 78 ALA HB2 H 1 1.194 0.010 . 1 . . . A 78 ALA HB2 . 36061 1 827 . 1 1 78 78 ALA HB3 H 1 1.194 0.010 . 1 . . . A 78 ALA HB3 . 36061 1 828 . 1 1 78 78 ALA C C 13 178.290 0.000 . 1 . . . A 78 ALA C . 36061 1 829 . 1 1 78 78 ALA CA C 13 52.026 0.089 . 1 . . . A 78 ALA CA . 36061 1 830 . 1 1 78 78 ALA CB C 13 19.246 0.107 . 1 . . . A 78 ALA CB . 36061 1 831 . 1 1 78 78 ALA N N 15 118.677 0.034 . 1 . . . A 78 ALA N . 36061 1 832 . 1 1 79 79 GLY H H 1 8.673 0.008 . 1 . . . A 79 GLY H . 36061 1 833 . 1 1 79 79 GLY HA2 H 1 3.979 0.013 . 1 . . . A 79 GLY HA2 . 36061 1 834 . 1 1 79 79 GLY HA3 H 1 3.567 0.009 . 1 . . . A 79 GLY HA3 . 36061 1 835 . 1 1 79 79 GLY C C 13 169.298 0.000 . 1 . . . A 79 GLY C . 36061 1 836 . 1 1 79 79 GLY CA C 13 44.890 0.135 . 1 . . . A 79 GLY CA . 36061 1 837 . 1 1 79 79 GLY N N 15 109.021 0.025 . 1 . . . A 79 GLY N . 36061 1 838 . 1 1 80 80 ALA H H 1 7.439 0.009 . 1 . . . A 80 ALA H . 36061 1 839 . 1 1 80 80 ALA HA H 1 4.902 0.018 . 1 . . . A 80 ALA HA . 36061 1 840 . 1 1 80 80 ALA HB1 H 1 1.087 0.015 . 1 . . . A 80 ALA HB1 . 36061 1 841 . 1 1 80 80 ALA HB2 H 1 1.087 0.015 . 1 . . . A 80 ALA HB2 . 36061 1 842 . 1 1 80 80 ALA HB3 H 1 1.087 0.015 . 1 . . . A 80 ALA HB3 . 36061 1 843 . 1 1 80 80 ALA C C 13 176.241 0.000 . 1 . . . A 80 ALA C . 36061 1 844 . 1 1 80 80 ALA CA C 13 50.727 0.098 . 1 . . . A 80 ALA CA . 36061 1 845 . 1 1 80 80 ALA CB C 13 19.691 0.142 . 1 . . . A 80 ALA CB . 36061 1 846 . 1 1 80 80 ALA N N 15 122.210 0.043 . 1 . . . A 80 ALA N . 36061 1 847 . 1 1 81 81 PHE H H 1 8.717 0.007 . 1 . . . A 81 PHE H . 36061 1 848 . 1 1 81 81 PHE HA H 1 5.081 0.033 . 1 . . . A 81 PHE HA . 36061 1 849 . 1 1 81 81 PHE HB2 H 1 2.347 0.009 . 1 . . . A 81 PHE HB2 . 36061 1 850 . 1 1 81 81 PHE HB3 H 1 2.020 0.017 . 1 . . . A 81 PHE HB3 . 36061 1 851 . 1 1 81 81 PHE HE1 H 1 7.401 0.006 . 1 . . . A 81 PHE HE1 . 36061 1 852 . 1 1 81 81 PHE HE2 H 1 7.401 0.006 . 1 . . . A 81 PHE HE2 . 36061 1 853 . 1 1 81 81 PHE HZ H 1 6.890 0.027 . 1 . . . A 81 PHE HZ . 36061 1 854 . 1 1 81 81 PHE C C 13 174.836 0.000 . 1 . . . A 81 PHE C . 36061 1 855 . 1 1 81 81 PHE CA C 13 56.876 0.098 . 1 . . . A 81 PHE CA . 36061 1 856 . 1 1 81 81 PHE CB C 13 44.344 0.037 . 1 . . . A 81 PHE CB . 36061 1 857 . 1 1 81 81 PHE N N 15 121.814 0.053 . 1 . . . A 81 PHE N . 36061 1 858 . 1 1 82 82 ARG H H 1 9.530 0.011 . 1 . . . A 82 ARG H . 36061 1 859 . 1 1 82 82 ARG HA H 1 5.398 0.009 . 1 . . . A 82 ARG HA . 36061 1 860 . 1 1 82 82 ARG HB2 H 1 1.649 0.025 . 1 . . . A 82 ARG HB2 . 36061 1 861 . 1 1 82 82 ARG HB3 H 1 1.649 0.025 . 1 . . . A 82 ARG HB3 . 36061 1 862 . 1 1 82 82 ARG HG2 H 1 1.706 0.020 . 1 . . . A 82 ARG HG2 . 36061 1 863 . 1 1 82 82 ARG HG3 H 1 1.525 0.014 . 1 . . . A 82 ARG HG3 . 36061 1 864 . 1 1 82 82 ARG HD2 H 1 3.232 0.022 . 1 . . . A 82 ARG HD2 . 36061 1 865 . 1 1 82 82 ARG HD3 H 1 3.182 0.003 . 1 . . . A 82 ARG HD3 . 36061 1 866 . 1 1 82 82 ARG HE H 1 7.401 0.012 . 1 . . . A 82 ARG HE . 36061 1 867 . 1 1 82 82 ARG HH11 H 1 7.097 0.000 . 1 . . . A 82 ARG HH11 . 36061 1 868 . 1 1 82 82 ARG HH12 H 1 6.881 0.008 . 1 . . . A 82 ARG HH12 . 36061 1 869 . 1 1 82 82 ARG HH21 H 1 6.656 0.000 . 1 . . . A 82 ARG HH21 . 36061 1 870 . 1 1 82 82 ARG C C 13 175.711 0.000 . 1 . . . A 82 ARG C . 36061 1 871 . 1 1 82 82 ARG CA C 13 54.231 0.115 . 1 . . . A 82 ARG CA . 36061 1 872 . 1 1 82 82 ARG CB C 13 33.699 0.103 . 1 . . . A 82 ARG CB . 36061 1 873 . 1 1 82 82 ARG CG C 13 27.835 0.051 . 1 . . . A 82 ARG CG . 36061 1 874 . 1 1 82 82 ARG CD C 13 43.233 0.061 . 1 . . . A 82 ARG CD . 36061 1 875 . 1 1 82 82 ARG CZ C 13 159.584 0.000 . 1 . . . A 82 ARG CZ . 36061 1 876 . 1 1 82 82 ARG N N 15 123.540 0.096 . 1 . . . A 82 ARG N . 36061 1 877 . 1 1 82 82 ARG NE N 15 84.731 0.034 . 1 . . . A 82 ARG NE . 36061 1 878 . 1 1 83 83 MET H H 1 8.684 0.008 . 1 . . . A 83 MET H . 36061 1 879 . 1 1 83 83 MET HA H 1 5.022 0.011 . 1 . . . A 83 MET HA . 36061 1 880 . 1 1 83 83 MET HB2 H 1 1.563 0.036 . 1 . . . A 83 MET HB2 . 36061 1 881 . 1 1 83 83 MET HB3 H 1 1.298 0.007 . 1 . . . A 83 MET HB3 . 36061 1 882 . 1 1 83 83 MET HG2 H 1 2.123 0.025 . 1 . . . A 83 MET HG2 . 36061 1 883 . 1 1 83 83 MET HG3 H 1 2.123 0.025 . 1 . . . A 83 MET HG3 . 36061 1 884 . 1 1 83 83 MET HE1 H 1 1.892 0.006 . 1 . . . A 83 MET HE1 . 36061 1 885 . 1 1 83 83 MET HE2 H 1 1.892 0.006 . 1 . . . A 83 MET HE2 . 36061 1 886 . 1 1 83 83 MET HE3 H 1 1.892 0.006 . 1 . . . A 83 MET HE3 . 36061 1 887 . 1 1 83 83 MET C C 13 174.379 0.000 . 1 . . . A 83 MET C . 36061 1 888 . 1 1 83 83 MET CA C 13 55.591 0.100 . 1 . . . A 83 MET CA . 36061 1 889 . 1 1 83 83 MET CB C 13 35.596 0.161 . 1 . . . A 83 MET CB . 36061 1 890 . 1 1 83 83 MET CG C 13 29.000 0.000 . 1 . . . A 83 MET CG . 36061 1 891 . 1 1 83 83 MET CE C 13 16.609 0.066 . 1 . . . A 83 MET CE . 36061 1 892 . 1 1 83 83 MET N N 15 114.969 0.026 . 1 . . . A 83 MET N . 36061 1 893 . 1 1 84 84 GLN H H 1 9.182 0.007 . 1 . . . A 84 GLN H . 36061 1 894 . 1 1 84 84 GLN HA H 1 4.006 0.017 . 1 . . . A 84 GLN HA . 36061 1 895 . 1 1 84 84 GLN HB2 H 1 2.946 0.034 . 1 . . . A 84 GLN HB2 . 36061 1 896 . 1 1 84 84 GLN HB3 H 1 2.946 0.034 . 1 . . . A 84 GLN HB3 . 36061 1 897 . 1 1 84 84 GLN HG2 H 1 2.870 0.029 . 1 . . . A 84 GLN HG2 . 36061 1 898 . 1 1 84 84 GLN HG3 H 1 2.365 0.001 . 1 . . . A 84 GLN HG3 . 36061 1 899 . 1 1 84 84 GLN HE21 H 1 8.085 0.003 . 1 . . . A 84 GLN HE21 . 36061 1 900 . 1 1 84 84 GLN HE22 H 1 7.557 0.021 . 1 . . . A 84 GLN HE22 . 36061 1 901 . 1 1 84 84 GLN C C 13 171.905 0.000 . 1 . . . A 84 GLN C . 36061 1 902 . 1 1 84 84 GLN CA C 13 56.993 0.059 . 1 . . . A 84 GLN CA . 36061 1 903 . 1 1 84 84 GLN CG C 13 36.376 0.000 . 1 . . . A 84 GLN CG . 36061 1 904 . 1 1 84 84 GLN CD C 13 180.890 0.000 . 1 . . . A 84 GLN CD . 36061 1 905 . 1 1 84 84 GLN N N 15 117.773 0.045 . 1 . . . A 84 GLN N . 36061 1 906 . 1 1 84 84 GLN NE2 N 15 112.208 0.175 . 1 . . . A 84 GLN NE2 . 36061 1 907 . 1 1 85 85 TYR H H 1 8.242 0.006 . 1 . . . A 85 TYR H . 36061 1 908 . 1 1 85 85 TYR HA H 1 5.803 0.008 . 1 . . . A 85 TYR HA . 36061 1 909 . 1 1 85 85 TYR HB2 H 1 3.152 0.024 . 1 . . . A 85 TYR HB2 . 36061 1 910 . 1 1 85 85 TYR HB3 H 1 2.964 0.018 . 1 . . . A 85 TYR HB3 . 36061 1 911 . 1 1 85 85 TYR HD1 H 1 6.998 0.017 . 1 . . . A 85 TYR HD1 . 36061 1 912 . 1 1 85 85 TYR HD2 H 1 6.998 0.017 . 1 . . . A 85 TYR HD2 . 36061 1 913 . 1 1 85 85 TYR HE1 H 1 6.453 0.012 . 1 . . . A 85 TYR HE1 . 36061 1 914 . 1 1 85 85 TYR HE2 H 1 6.453 0.012 . 1 . . . A 85 TYR HE2 . 36061 1 915 . 1 1 85 85 TYR C C 13 176.405 0.000 . 1 . . . A 85 TYR C . 36061 1 916 . 1 1 85 85 TYR CA C 13 55.808 0.100 . 1 . . . A 85 TYR CA . 36061 1 917 . 1 1 85 85 TYR CB C 13 38.413 0.119 . 1 . . . A 85 TYR CB . 36061 1 918 . 1 1 85 85 TYR N N 15 120.201 0.068 . 1 . . . A 85 TYR N . 36061 1 919 . 1 1 86 86 ALA H H 1 8.974 0.009 . 1 . . . A 86 ALA H . 36061 1 920 . 1 1 86 86 ALA HA H 1 5.343 0.017 . 1 . . . A 86 ALA HA . 36061 1 921 . 1 1 86 86 ALA HB1 H 1 1.041 0.010 . 1 . . . A 86 ALA HB1 . 36061 1 922 . 1 1 86 86 ALA HB2 H 1 1.041 0.010 . 1 . . . A 86 ALA HB2 . 36061 1 923 . 1 1 86 86 ALA HB3 H 1 1.041 0.010 . 1 . . . A 86 ALA HB3 . 36061 1 924 . 1 1 86 86 ALA C C 13 176.461 0.000 . 1 . . . A 86 ALA C . 36061 1 925 . 1 1 86 86 ALA CA C 13 51.503 0.061 . 1 . . . A 86 ALA CA . 36061 1 926 . 1 1 86 86 ALA CB C 13 26.000 0.096 . 1 . . . A 86 ALA CB . 36061 1 927 . 1 1 86 86 ALA N N 15 124.313 0.038 . 1 . . . A 86 ALA N . 36061 1 928 . 1 1 87 87 SER H H 1 7.598 0.007 . 1 . . . A 87 SER H . 36061 1 929 . 1 1 87 87 SER HA H 1 5.415 0.009 . 1 . . . A 87 SER HA . 36061 1 930 . 1 1 87 87 SER HB2 H 1 4.292 0.010 . 1 . . . A 87 SER HB2 . 36061 1 931 . 1 1 87 87 SER HB3 H 1 3.568 0.007 . 1 . . . A 87 SER HB3 . 36061 1 932 . 1 1 87 87 SER C C 13 176.133 0.000 . 1 . . . A 87 SER C . 36061 1 933 . 1 1 87 87 SER CA C 13 57.471 0.078 . 1 . . . A 87 SER CA . 36061 1 934 . 1 1 87 87 SER CB C 13 64.842 0.165 . 1 . . . A 87 SER CB . 36061 1 935 . 1 1 87 87 SER N N 15 114.715 0.038 . 1 . . . A 87 SER N . 36061 1 936 . 1 1 88 88 LYS H H 1 9.678 0.007 . 1 . . . A 88 LYS H . 36061 1 937 . 1 1 88 88 LYS HA H 1 3.304 0.012 . 1 . . . A 88 LYS HA . 36061 1 938 . 1 1 88 88 LYS HB2 H 1 1.808 0.009 . 1 . . . A 88 LYS HB2 . 36061 1 939 . 1 1 88 88 LYS HB3 H 1 1.777 0.011 . 1 . . . A 88 LYS HB3 . 36061 1 940 . 1 1 88 88 LYS HG2 H 1 1.347 0.014 . 1 . . . A 88 LYS HG2 . 36061 1 941 . 1 1 88 88 LYS HG3 H 1 1.235 0.013 . 1 . . . A 88 LYS HG3 . 36061 1 942 . 1 1 88 88 LYS HD2 H 1 1.605 0.015 . 1 . . . A 88 LYS HD2 . 36061 1 943 . 1 1 88 88 LYS HD3 H 1 1.605 0.015 . 1 . . . A 88 LYS HD3 . 36061 1 944 . 1 1 88 88 LYS HE2 H 1 2.952 0.022 . 1 . . . A 88 LYS HE2 . 36061 1 945 . 1 1 88 88 LYS HE3 H 1 2.952 0.022 . 1 . . . A 88 LYS HE3 . 36061 1 946 . 1 1 88 88 LYS C C 13 174.237 0.000 . 1 . . . A 88 LYS C . 36061 1 947 . 1 1 88 88 LYS CA C 13 59.577 0.140 . 1 . . . A 88 LYS CA . 36061 1 948 . 1 1 88 88 LYS CB C 13 32.270 0.092 . 1 . . . A 88 LYS CB . 36061 1 949 . 1 1 88 88 LYS CG C 13 25.277 0.056 . 1 . . . A 88 LYS CG . 36061 1 950 . 1 1 88 88 LYS CD C 13 29.254 0.105 . 1 . . . A 88 LYS CD . 36061 1 951 . 1 1 88 88 LYS CE C 13 41.866 0.114 . 1 . . . A 88 LYS CE . 36061 1 952 . 1 1 88 88 LYS N N 15 121.768 0.020 . 1 . . . A 88 LYS N . 36061 1 953 . 1 1 89 89 ASP H H 1 7.826 0.006 . 1 . . . A 89 ASP H . 36061 1 954 . 1 1 89 89 ASP HA H 1 4.684 0.011 . 1 . . . A 89 ASP HA . 36061 1 955 . 1 1 89 89 ASP HB2 H 1 3.015 0.008 . 1 . . . A 89 ASP HB2 . 36061 1 956 . 1 1 89 89 ASP HB3 H 1 2.500 0.006 . 1 . . . A 89 ASP HB3 . 36061 1 957 . 1 1 89 89 ASP C C 13 175.513 0.000 . 1 . . . A 89 ASP C . 36061 1 958 . 1 1 89 89 ASP CA C 13 52.422 0.084 . 1 . . . A 89 ASP CA . 36061 1 959 . 1 1 89 89 ASP CB C 13 40.136 0.046 . 1 . . . A 89 ASP CB . 36061 1 960 . 1 1 89 89 ASP N N 15 113.927 0.040 . 1 . . . A 89 ASP N . 36061 1 961 . 1 1 90 90 TRP H H 1 7.249 0.003 . 1 . . . A 90 TRP H . 36061 1 962 . 1 1 90 90 TRP HA H 1 4.793 0.019 . 1 . . . A 90 TRP HA . 36061 1 963 . 1 1 90 90 TRP HB2 H 1 3.384 0.019 . 1 . . . A 90 TRP HB2 . 36061 1 964 . 1 1 90 90 TRP HB3 H 1 3.384 0.019 . 1 . . . A 90 TRP HB3 . 36061 1 965 . 1 1 90 90 TRP HD1 H 1 7.072 0.017 . 1 . . . A 90 TRP HD1 . 36061 1 966 . 1 1 90 90 TRP HE1 H 1 10.393 0.044 . 1 . . . A 90 TRP HE1 . 36061 1 967 . 1 1 90 90 TRP HE3 H 1 7.583 0.007 . 1 . . . A 90 TRP HE3 . 36061 1 968 . 1 1 90 90 TRP C C 13 172.339 0.000 . 1 . . . A 90 TRP C . 36061 1 969 . 1 1 90 90 TRP CA C 13 60.017 0.105 . 1 . . . A 90 TRP CA . 36061 1 970 . 1 1 90 90 TRP CB C 13 24.700 0.103 . 1 . . . A 90 TRP CB . 36061 1 971 . 1 1 90 90 TRP N N 15 112.538 0.015 . 1 . . . A 90 TRP N . 36061 1 972 . 1 1 90 90 TRP NE1 N 15 129.405 0.012 . 1 . . . A 90 TRP NE1 . 36061 1 973 . 1 1 91 91 SER H H 1 7.330 0.010 . 1 . . . A 91 SER H . 36061 1 974 . 1 1 91 91 SER HA H 1 4.853 0.000 . 1 . . . A 91 SER HA . 36061 1 975 . 1 1 91 91 SER HB2 H 1 3.856 0.000 . 1 . . . A 91 SER HB2 . 36061 1 976 . 1 1 91 91 SER HB3 H 1 3.611 0.027 . 1 . . . A 91 SER HB3 . 36061 1 977 . 1 1 91 91 SER HG H 1 5.051 0.001 . 1 . . . A 91 SER HG . 36061 1 978 . 1 1 91 91 SER CA C 13 53.732 0.000 . 1 . . . A 91 SER CA . 36061 1 979 . 1 1 91 91 SER CB C 13 63.106 0.150 . 1 . . . A 91 SER CB . 36061 1 980 . 1 1 91 91 SER N N 15 111.581 0.019 . 1 . . . A 91 SER N . 36061 1 981 . 1 1 92 92 PRO HA H 1 4.867 0.020 . 1 . . . A 92 PRO HA . 36061 1 982 . 1 1 92 92 PRO HB2 H 1 2.214 0.016 . 1 . . . A 92 PRO HB2 . 36061 1 983 . 1 1 92 92 PRO HB3 H 1 1.566 0.010 . 1 . . . A 92 PRO HB3 . 36061 1 984 . 1 1 92 92 PRO HD2 H 1 3.933 0.003 . 1 . . . A 92 PRO HD2 . 36061 1 985 . 1 1 92 92 PRO HD3 H 1 3.615 0.025 . 1 . . . A 92 PRO HD3 . 36061 1 986 . 1 1 92 92 PRO C C 13 174.174 0.000 . 1 . . . A 92 PRO C . 36061 1 987 . 1 1 92 92 PRO CA C 13 63.545 0.072 . 1 . . . A 92 PRO CA . 36061 1 988 . 1 1 92 92 PRO CB C 13 35.967 0.049 . 1 . . . A 92 PRO CB . 36061 1 989 . 1 1 92 92 PRO CG C 13 25.179 0.000 . 1 . . . A 92 PRO CG . 36061 1 990 . 1 1 92 92 PRO CD C 13 54.733 0.012 . 1 . . . A 92 PRO CD . 36061 1 991 . 1 1 93 93 GLN H H 1 7.608 0.005 . 1 . . . A 93 GLN H . 36061 1 992 . 1 1 93 93 GLN HA H 1 4.916 0.006 . 1 . . . A 93 GLN HA . 36061 1 993 . 1 1 93 93 GLN HB2 H 1 2.179 0.020 . 1 . . . A 93 GLN HB2 . 36061 1 994 . 1 1 93 93 GLN HB3 H 1 2.018 0.012 . 1 . . . A 93 GLN HB3 . 36061 1 995 . 1 1 93 93 GLN HG2 H 1 2.247 0.019 . 1 . . . A 93 GLN HG2 . 36061 1 996 . 1 1 93 93 GLN HG3 H 1 2.247 0.019 . 1 . . . A 93 GLN HG3 . 36061 1 997 . 1 1 93 93 GLN HE21 H 1 7.434 0.010 . 1 . . . A 93 GLN HE21 . 36061 1 998 . 1 1 93 93 GLN HE22 H 1 6.673 0.015 . 1 . . . A 93 GLN HE22 . 36061 1 999 . 1 1 93 93 GLN C C 13 173.561 0.000 . 1 . . . A 93 GLN C . 36061 1 1000 . 1 1 93 93 GLN CA C 13 54.301 0.072 . 1 . . . A 93 GLN CA . 36061 1 1001 . 1 1 93 93 GLN CB C 13 35.341 0.057 . 1 . . . A 93 GLN CB . 36061 1 1002 . 1 1 93 93 GLN CG C 13 33.833 0.000 . 1 . . . A 93 GLN CG . 36061 1 1003 . 1 1 93 93 GLN N N 15 109.519 0.028 . 1 . . . A 93 GLN N . 36061 1 1004 . 1 1 93 93 GLN NE2 N 15 112.707 0.059 . 1 . . . A 93 GLN NE2 . 36061 1 1005 . 1 1 94 94 PHE H H 1 9.540 0.010 . 1 . . . A 94 PHE H . 36061 1 1006 . 1 1 94 94 PHE HA H 1 5.680 0.017 . 1 . . . A 94 PHE HA . 36061 1 1007 . 1 1 94 94 PHE HB2 H 1 3.571 0.005 . 1 . . . A 94 PHE HB2 . 36061 1 1008 . 1 1 94 94 PHE HB3 H 1 3.034 0.014 . 1 . . . A 94 PHE HB3 . 36061 1 1009 . 1 1 94 94 PHE HD1 H 1 7.255 0.000 . 1 . . . A 94 PHE HD1 . 36061 1 1010 . 1 1 94 94 PHE HD2 H 1 7.255 0.000 . 1 . . . A 94 PHE HD2 . 36061 1 1011 . 1 1 94 94 PHE HE1 H 1 6.528 0.000 . 1 . . . A 94 PHE HE1 . 36061 1 1012 . 1 1 94 94 PHE HE2 H 1 6.528 0.000 . 1 . . . A 94 PHE HE2 . 36061 1 1013 . 1 1 94 94 PHE HZ H 1 6.141 0.009 . 1 . . . A 94 PHE HZ . 36061 1 1014 . 1 1 94 94 PHE C C 13 172.379 0.000 . 1 . . . A 94 PHE C . 36061 1 1015 . 1 1 94 94 PHE CA C 13 56.757 0.091 . 1 . . . A 94 PHE CA . 36061 1 1016 . 1 1 94 94 PHE CB C 13 43.355 0.204 . 1 . . . A 94 PHE CB . 36061 1 1017 . 1 1 94 94 PHE N N 15 122.733 0.046 . 1 . . . A 94 PHE N . 36061 1 1018 . 1 1 95 95 THR H H 1 9.438 0.007 . 1 . . . A 95 THR H . 36061 1 1019 . 1 1 95 95 THR HA H 1 5.038 0.022 . 1 . . . A 95 THR HA . 36061 1 1020 . 1 1 95 95 THR HB H 1 4.178 0.011 . 1 . . . A 95 THR HB . 36061 1 1021 . 1 1 95 95 THR HG1 H 1 5.671 0.000 . 1 . . . A 95 THR HG1 . 36061 1 1022 . 1 1 95 95 THR HG21 H 1 1.067 0.013 . 1 . . . A 95 THR HG21 . 36061 1 1023 . 1 1 95 95 THR HG22 H 1 1.067 0.013 . 1 . . . A 95 THR HG22 . 36061 1 1024 . 1 1 95 95 THR HG23 H 1 1.067 0.013 . 1 . . . A 95 THR HG23 . 36061 1 1025 . 1 1 95 95 THR C C 13 171.440 0.000 . 1 . . . A 95 THR C . 36061 1 1026 . 1 1 95 95 THR CA C 13 60.169 0.093 . 1 . . . A 95 THR CA . 36061 1 1027 . 1 1 95 95 THR CB C 13 73.547 0.124 . 1 . . . A 95 THR CB . 36061 1 1028 . 1 1 95 95 THR CG2 C 13 20.462 0.051 . 1 . . . A 95 THR CG2 . 36061 1 1029 . 1 1 95 95 THR N N 15 116.187 0.019 . 1 . . . A 95 THR N . 36061 1 1030 . 1 1 96 96 ALA H H 1 8.954 0.010 . 1 . . . A 96 ALA H . 36061 1 1031 . 1 1 96 96 ALA HA H 1 4.570 0.014 . 1 . . . A 96 ALA HA . 36061 1 1032 . 1 1 96 96 ALA HB1 H 1 1.461 0.011 . 1 . . . A 96 ALA HB1 . 36061 1 1033 . 1 1 96 96 ALA HB2 H 1 1.461 0.011 . 1 . . . A 96 ALA HB2 . 36061 1 1034 . 1 1 96 96 ALA HB3 H 1 1.461 0.011 . 1 . . . A 96 ALA HB3 . 36061 1 1035 . 1 1 96 96 ALA C C 13 178.490 0.000 . 1 . . . A 96 ALA C . 36061 1 1036 . 1 1 96 96 ALA CA C 13 53.451 0.062 . 1 . . . A 96 ALA CA . 36061 1 1037 . 1 1 96 96 ALA CB C 13 19.954 0.079 . 1 . . . A 96 ALA CB . 36061 1 1038 . 1 1 96 96 ALA N N 15 127.801 0.015 . 1 . . . A 96 ALA N . 36061 1 1039 . 1 1 97 97 ASP H H 1 8.717 0.008 . 1 . . . A 97 ASP H . 36061 1 1040 . 1 1 97 97 ASP HA H 1 4.331 0.013 . 1 . . . A 97 ASP HA . 36061 1 1041 . 1 1 97 97 ASP HB2 H 1 2.742 0.011 . 1 . . . A 97 ASP HB2 . 36061 1 1042 . 1 1 97 97 ASP HB3 H 1 2.330 0.014 . 1 . . . A 97 ASP HB3 . 36061 1 1043 . 1 1 97 97 ASP C C 13 177.296 0.000 . 1 . . . A 97 ASP C . 36061 1 1044 . 1 1 97 97 ASP CA C 13 56.325 0.163 . 1 . . . A 97 ASP CA . 36061 1 1045 . 1 1 97 97 ASP CB C 13 41.729 0.050 . 1 . . . A 97 ASP CB . 36061 1 1046 . 1 1 97 97 ASP N N 15 122.952 0.050 . 1 . . . A 97 ASP N . 36061 1 1047 . 1 1 98 98 GLY H H 1 8.745 0.007 . 1 . . . A 98 GLY H . 36061 1 1048 . 1 1 98 98 GLY HA2 H 1 4.274 0.013 . 1 . . . A 98 GLY HA2 . 36061 1 1049 . 1 1 98 98 GLY HA3 H 1 3.791 0.013 . 1 . . . A 98 GLY HA3 . 36061 1 1050 . 1 1 98 98 GLY C C 13 174.096 0.000 . 1 . . . A 98 GLY C . 36061 1 1051 . 1 1 98 98 GLY CA C 13 45.621 0.125 . 1 . . . A 98 GLY CA . 36061 1 1052 . 1 1 98 98 GLY N N 15 115.488 0.128 . 1 . . . A 98 GLY N . 36061 1 1053 . 1 1 99 99 LEU H H 1 8.472 0.007 . 1 . . . A 99 LEU H . 36061 1 1054 . 1 1 99 99 LEU HA H 1 4.039 0.014 . 1 . . . A 99 LEU HA . 36061 1 1055 . 1 1 99 99 LEU HB2 H 1 2.093 0.009 . 1 . . . A 99 LEU HB2 . 36061 1 1056 . 1 1 99 99 LEU HB3 H 1 2.093 0.009 . 1 . . . A 99 LEU HB3 . 36061 1 1057 . 1 1 99 99 LEU HG H 1 1.477 0.009 . 1 . . . A 99 LEU HG . 36061 1 1058 . 1 1 99 99 LEU HD11 H 1 0.938 0.010 . 1 . . . A 99 LEU HD11 . 36061 1 1059 . 1 1 99 99 LEU HD12 H 1 0.938 0.010 . 1 . . . A 99 LEU HD12 . 36061 1 1060 . 1 1 99 99 LEU HD13 H 1 0.938 0.010 . 1 . . . A 99 LEU HD13 . 36061 1 1061 . 1 1 99 99 LEU HD21 H 1 0.795 0.010 . 1 . . . A 99 LEU HD21 . 36061 1 1062 . 1 1 99 99 LEU HD22 H 1 0.795 0.010 . 1 . . . A 99 LEU HD22 . 36061 1 1063 . 1 1 99 99 LEU HD23 H 1 0.795 0.010 . 1 . . . A 99 LEU HD23 . 36061 1 1064 . 1 1 99 99 LEU C C 13 175.991 0.000 . 1 . . . A 99 LEU C . 36061 1 1065 . 1 1 99 99 LEU CA C 13 56.418 0.118 . 1 . . . A 99 LEU CA . 36061 1 1066 . 1 1 99 99 LEU CB C 13 37.179 0.096 . 1 . . . A 99 LEU CB . 36061 1 1067 . 1 1 99 99 LEU CG C 13 26.555 0.036 . 1 . . . A 99 LEU CG . 36061 1 1068 . 1 1 99 99 LEU CD1 C 13 25.681 0.035 . 1 . . . A 99 LEU CD1 . 36061 1 1069 . 1 1 99 99 LEU CD2 C 13 23.373 0.016 . 1 . . . A 99 LEU CD2 . 36061 1 1070 . 1 1 99 99 LEU N N 15 111.675 0.048 . 1 . . . A 99 LEU N . 36061 1 1071 . 1 1 100 100 GLU H H 1 7.405 0.003 . 1 . . . A 100 GLU H . 36061 1 1072 . 1 1 100 100 GLU HA H 1 5.529 0.009 . 1 . . . A 100 GLU HA . 36061 1 1073 . 1 1 100 100 GLU HB2 H 1 2.048 0.020 . 1 . . . A 100 GLU HB2 . 36061 1 1074 . 1 1 100 100 GLU HB3 H 1 1.973 0.025 . 1 . . . A 100 GLU HB3 . 36061 1 1075 . 1 1 100 100 GLU HG2 H 1 2.275 0.000 . 1 . . . A 100 GLU HG2 . 36061 1 1076 . 1 1 100 100 GLU HG3 H 1 2.213 0.000 . 1 . . . A 100 GLU HG3 . 36061 1 1077 . 1 1 100 100 GLU C C 13 174.109 0.000 . 1 . . . A 100 GLU C . 36061 1 1078 . 1 1 100 100 GLU CA C 13 55.578 0.133 . 1 . . . A 100 GLU CA . 36061 1 1079 . 1 1 100 100 GLU CB C 13 33.616 0.055 . 1 . . . A 100 GLU CB . 36061 1 1080 . 1 1 100 100 GLU CG C 13 36.058 0.021 . 1 . . . A 100 GLU CG . 36061 1 1081 . 1 1 100 100 GLU N N 15 117.561 0.028 . 1 . . . A 100 GLU N . 36061 1 1082 . 1 1 101 101 LEU H H 1 7.862 0.003 . 1 . . . A 101 LEU H . 36061 1 1083 . 1 1 101 101 LEU HA H 1 4.883 0.018 . 1 . . . A 101 LEU HA . 36061 1 1084 . 1 1 101 101 LEU HB2 H 1 1.796 0.018 . 1 . . . A 101 LEU HB2 . 36061 1 1085 . 1 1 101 101 LEU HB3 H 1 1.343 0.011 . 1 . . . A 101 LEU HB3 . 36061 1 1086 . 1 1 101 101 LEU HG H 1 1.058 0.013 . 1 . . . A 101 LEU HG . 36061 1 1087 . 1 1 101 101 LEU HD11 H 1 0.700 0.020 . 1 . . . A 101 LEU HD11 . 36061 1 1088 . 1 1 101 101 LEU HD12 H 1 0.700 0.020 . 1 . . . A 101 LEU HD12 . 36061 1 1089 . 1 1 101 101 LEU HD13 H 1 0.700 0.020 . 1 . . . A 101 LEU HD13 . 36061 1 1090 . 1 1 101 101 LEU HD21 H 1 0.138 0.010 . 1 . . . A 101 LEU HD21 . 36061 1 1091 . 1 1 101 101 LEU HD22 H 1 0.138 0.010 . 1 . . . A 101 LEU HD22 . 36061 1 1092 . 1 1 101 101 LEU HD23 H 1 0.138 0.010 . 1 . . . A 101 LEU HD23 . 36061 1 1093 . 1 1 101 101 LEU C C 13 175.519 0.000 . 1 . . . A 101 LEU C . 36061 1 1094 . 1 1 101 101 LEU CA C 13 53.892 0.035 . 1 . . . A 101 LEU CA . 36061 1 1095 . 1 1 101 101 LEU CB C 13 46.822 0.091 . 1 . . . A 101 LEU CB . 36061 1 1096 . 1 1 101 101 LEU CG C 13 25.762 0.017 . 1 . . . A 101 LEU CG . 36061 1 1097 . 1 1 101 101 LEU CD2 C 13 22.092 0.009 . 1 . . . A 101 LEU CD2 . 36061 1 1098 . 1 1 101 101 LEU N N 15 121.770 0.018 . 1 . . . A 101 LEU N . 36061 1 1099 . 1 1 102 102 THR H H 1 9.459 0.005 . 1 . . . A 102 THR H . 36061 1 1100 . 1 1 102 102 THR HA H 1 4.856 0.000 . 1 . . . A 102 THR HA . 36061 1 1101 . 1 1 102 102 THR HB H 1 4.017 0.009 . 1 . . . A 102 THR HB . 36061 1 1102 . 1 1 102 102 THR CA C 13 59.806 0.000 . 1 . . . A 102 THR CA . 36061 1 1103 . 1 1 102 102 THR CB C 13 71.359 0.000 . 1 . . . A 102 THR CB . 36061 1 1104 . 1 1 102 102 THR N N 15 122.357 0.023 . 1 . . . A 102 THR N . 36061 1 1105 . 1 1 103 103 PRO HA H 1 4.546 0.012 . 1 . . . A 103 PRO HA . 36061 1 1106 . 1 1 103 103 PRO HB2 H 1 2.204 0.000 . 1 . . . A 103 PRO HB2 . 36061 1 1107 . 1 1 103 103 PRO HB3 H 1 2.119 0.009 . 1 . . . A 103 PRO HB3 . 36061 1 1108 . 1 1 103 103 PRO HG2 H 1 2.276 0.009 . 1 . . . A 103 PRO HG2 . 36061 1 1109 . 1 1 103 103 PRO HG3 H 1 1.722 0.016 . 1 . . . A 103 PRO HG3 . 36061 1 1110 . 1 1 103 103 PRO HD2 H 1 3.872 0.000 . 1 . . . A 103 PRO HD2 . 36061 1 1111 . 1 1 103 103 PRO HD3 H 1 3.872 0.000 . 1 . . . A 103 PRO HD3 . 36061 1 1112 . 1 1 103 103 PRO C C 13 176.209 0.000 . 1 . . . A 103 PRO C . 36061 1 1113 . 1 1 103 103 PRO CA C 13 64.008 0.096 . 1 . . . A 103 PRO CA . 36061 1 1114 . 1 1 103 103 PRO CB C 13 31.715 0.054 . 1 . . . A 103 PRO CB . 36061 1 1115 . 1 1 103 103 PRO CG C 13 28.351 0.083 . 1 . . . A 103 PRO CG . 36061 1 1116 . 1 1 104 104 GLY H H 1 9.503 0.007 . 1 . . . A 104 GLY H . 36061 1 1117 . 1 1 104 104 GLY HA2 H 1 4.267 0.008 . 1 . . . A 104 GLY HA2 . 36061 1 1118 . 1 1 104 104 GLY HA3 H 1 3.363 0.002 . 1 . . . A 104 GLY HA3 . 36061 1 1119 . 1 1 104 104 GLY C C 13 172.949 0.000 . 1 . . . A 104 GLY C . 36061 1 1120 . 1 1 104 104 GLY CA C 13 45.351 0.145 . 1 . . . A 104 GLY CA . 36061 1 1121 . 1 1 104 104 GLY N N 15 109.970 0.031 . 1 . . . A 104 GLY N . 36061 1 1122 . 1 1 105 105 LYS H H 1 7.662 0.006 . 1 . . . A 105 LYS H . 36061 1 1123 . 1 1 105 105 LYS HA H 1 4.880 0.022 . 1 . . . A 105 LYS HA . 36061 1 1124 . 1 1 105 105 LYS HB2 H 1 1.932 0.021 . 1 . . . A 105 LYS HB2 . 36061 1 1125 . 1 1 105 105 LYS HB3 H 1 1.788 0.013 . 1 . . . A 105 LYS HB3 . 36061 1 1126 . 1 1 105 105 LYS HG2 H 1 1.394 0.013 . 1 . . . A 105 LYS HG2 . 36061 1 1127 . 1 1 105 105 LYS HG3 H 1 1.394 0.013 . 1 . . . A 105 LYS HG3 . 36061 1 1128 . 1 1 105 105 LYS HD2 H 1 1.709 0.020 . 1 . . . A 105 LYS HD2 . 36061 1 1129 . 1 1 105 105 LYS HD3 H 1 1.709 0.020 . 1 . . . A 105 LYS HD3 . 36061 1 1130 . 1 1 105 105 LYS HE2 H 1 3.039 0.017 . 1 . . . A 105 LYS HE2 . 36061 1 1131 . 1 1 105 105 LYS HE3 H 1 3.039 0.017 . 1 . . . A 105 LYS HE3 . 36061 1 1132 . 1 1 105 105 LYS C C 13 176.506 0.000 . 1 . . . A 105 LYS C . 36061 1 1133 . 1 1 105 105 LYS CA C 13 54.681 0.134 . 1 . . . A 105 LYS CA . 36061 1 1134 . 1 1 105 105 LYS CB C 13 34.463 0.099 . 1 . . . A 105 LYS CB . 36061 1 1135 . 1 1 105 105 LYS CG C 13 24.793 0.194 . 1 . . . A 105 LYS CG . 36061 1 1136 . 1 1 105 105 LYS CD C 13 28.952 0.128 . 1 . . . A 105 LYS CD . 36061 1 1137 . 1 1 105 105 LYS CE C 13 42.159 0.260 . 1 . . . A 105 LYS CE . 36061 1 1138 . 1 1 105 105 LYS N N 15 119.822 0.017 . 1 . . . A 105 LYS N . 36061 1 1139 . 1 1 106 106 THR H H 1 8.876 0.003 . 1 . . . A 106 THR H . 36061 1 1140 . 1 1 106 106 THR HA H 1 4.509 0.014 . 1 . . . A 106 THR HA . 36061 1 1141 . 1 1 106 106 THR HB H 1 4.039 0.005 . 1 . . . A 106 THR HB . 36061 1 1142 . 1 1 106 106 THR HG1 H 1 5.516 0.010 . 1 . . . A 106 THR HG1 . 36061 1 1143 . 1 1 106 106 THR HG21 H 1 1.216 0.005 . 1 . . . A 106 THR HG21 . 36061 1 1144 . 1 1 106 106 THR HG22 H 1 1.216 0.005 . 1 . . . A 106 THR HG22 . 36061 1 1145 . 1 1 106 106 THR HG23 H 1 1.216 0.005 . 1 . . . A 106 THR HG23 . 36061 1 1146 . 1 1 106 106 THR C C 13 173.561 0.000 . 1 . . . A 106 THR C . 36061 1 1147 . 1 1 106 106 THR CA C 13 63.939 0.115 . 1 . . . A 106 THR CA . 36061 1 1148 . 1 1 106 106 THR CB C 13 69.492 0.181 . 1 . . . A 106 THR CB . 36061 1 1149 . 1 1 106 106 THR CG2 C 13 23.056 0.110 . 1 . . . A 106 THR CG2 . 36061 1 1150 . 1 1 106 106 THR N N 15 122.961 0.101 . 1 . . . A 106 THR N . 36061 1 1151 . 1 1 107 107 ALA H H 1 9.044 0.012 . 1 . . . A 107 ALA H . 36061 1 1152 . 1 1 107 107 ALA HA H 1 4.900 0.012 . 1 . . . A 107 ALA HA . 36061 1 1153 . 1 1 107 107 ALA HB1 H 1 1.577 0.013 . 1 . . . A 107 ALA HB1 . 36061 1 1154 . 1 1 107 107 ALA HB2 H 1 1.577 0.013 . 1 . . . A 107 ALA HB2 . 36061 1 1155 . 1 1 107 107 ALA HB3 H 1 1.577 0.013 . 1 . . . A 107 ALA HB3 . 36061 1 1156 . 1 1 107 107 ALA C C 13 176.414 0.000 . 1 . . . A 107 ALA C . 36061 1 1157 . 1 1 107 107 ALA CA C 13 50.431 0.138 . 1 . . . A 107 ALA CA . 36061 1 1158 . 1 1 107 107 ALA CB C 13 23.003 0.102 . 1 . . . A 107 ALA CB . 36061 1 1159 . 1 1 107 107 ALA N N 15 127.802 0.017 . 1 . . . A 107 ALA N . 36061 1 1160 . 1 1 108 108 SER H H 1 8.742 0.004 . 1 . . . A 108 SER H . 36061 1 1161 . 1 1 108 108 SER HA H 1 4.873 0.007 . 1 . . . A 108 SER HA . 36061 1 1162 . 1 1 108 108 SER HB2 H 1 3.948 0.017 . 1 . . . A 108 SER HB2 . 36061 1 1163 . 1 1 108 108 SER HB3 H 1 3.948 0.017 . 1 . . . A 108 SER HB3 . 36061 1 1164 . 1 1 108 108 SER C C 13 172.424 0.000 . 1 . . . A 108 SER C . 36061 1 1165 . 1 1 108 108 SER CA C 13 59.306 0.093 . 1 . . . A 108 SER CA . 36061 1 1166 . 1 1 108 108 SER CB C 13 63.254 0.161 . 1 . . . A 108 SER CB . 36061 1 1167 . 1 1 108 108 SER N N 15 115.068 0.034 . 1 . . . A 108 SER N . 36061 1 1168 . 1 1 109 109 LEU H H 1 7.205 0.008 . 1 . . . A 109 LEU H . 36061 1 1169 . 1 1 109 109 LEU HA H 1 4.534 0.016 . 1 . . . A 109 LEU HA . 36061 1 1170 . 1 1 109 109 LEU HB2 H 1 1.332 0.009 . 1 . . . A 109 LEU HB2 . 36061 1 1171 . 1 1 109 109 LEU HB3 H 1 0.672 0.010 . 1 . . . A 109 LEU HB3 . 36061 1 1172 . 1 1 109 109 LEU HG H 1 1.532 0.013 . 1 . . . A 109 LEU HG . 36061 1 1173 . 1 1 109 109 LEU HD11 H 1 0.827 0.014 . 1 . . . A 109 LEU HD11 . 36061 1 1174 . 1 1 109 109 LEU HD12 H 1 0.827 0.014 . 1 . . . A 109 LEU HD12 . 36061 1 1175 . 1 1 109 109 LEU HD13 H 1 0.827 0.014 . 1 . . . A 109 LEU HD13 . 36061 1 1176 . 1 1 109 109 LEU HD21 H 1 0.157 0.013 . 1 . . . A 109 LEU HD21 . 36061 1 1177 . 1 1 109 109 LEU HD22 H 1 0.157 0.013 . 1 . . . A 109 LEU HD22 . 36061 1 1178 . 1 1 109 109 LEU HD23 H 1 0.157 0.013 . 1 . . . A 109 LEU HD23 . 36061 1 1179 . 1 1 109 109 LEU C C 13 173.124 0.000 . 1 . . . A 109 LEU C . 36061 1 1180 . 1 1 109 109 LEU CA C 13 52.936 0.096 . 1 . . . A 109 LEU CA . 36061 1 1181 . 1 1 109 109 LEU CB C 13 45.693 0.273 . 1 . . . A 109 LEU CB . 36061 1 1182 . 1 1 109 109 LEU CG C 13 26.845 0.292 . 1 . . . A 109 LEU CG . 36061 1 1183 . 1 1 109 109 LEU CD1 C 13 23.035 0.018 . 1 . . . A 109 LEU CD1 . 36061 1 1184 . 1 1 109 109 LEU CD2 C 13 26.427 0.025 . 1 . . . A 109 LEU CD2 . 36061 1 1185 . 1 1 109 109 LEU N N 15 127.660 0.055 . 1 . . . A 109 LEU N . 36061 1 1186 . 1 1 110 110 LYS H H 1 9.142 0.007 . 1 . . . A 110 LYS H . 36061 1 1187 . 1 1 110 110 LYS HA H 1 5.054 0.004 . 1 . . . A 110 LYS HA . 36061 1 1188 . 1 1 110 110 LYS HB2 H 1 1.961 0.014 . 1 . . . A 110 LYS HB2 . 36061 1 1189 . 1 1 110 110 LYS HB3 H 1 1.961 0.014 . 1 . . . A 110 LYS HB3 . 36061 1 1190 . 1 1 110 110 LYS HG2 H 1 1.322 0.011 . 1 . . . A 110 LYS HG2 . 36061 1 1191 . 1 1 110 110 LYS HG3 H 1 1.322 0.011 . 1 . . . A 110 LYS HG3 . 36061 1 1192 . 1 1 110 110 LYS HD2 H 1 1.725 0.005 . 1 . . . A 110 LYS HD2 . 36061 1 1193 . 1 1 110 110 LYS HD3 H 1 1.725 0.005 . 1 . . . A 110 LYS HD3 . 36061 1 1194 . 1 1 110 110 LYS HE2 H 1 2.974 0.003 . 1 . . . A 110 LYS HE2 . 36061 1 1195 . 1 1 110 110 LYS HE3 H 1 2.974 0.003 . 1 . . . A 110 LYS HE3 . 36061 1 1196 . 1 1 110 110 LYS C C 13 176.238 0.000 . 1 . . . A 110 LYS C . 36061 1 1197 . 1 1 110 110 LYS CA C 13 54.014 0.095 . 1 . . . A 110 LYS CA . 36061 1 1198 . 1 1 110 110 LYS CB C 13 36.626 0.035 . 1 . . . A 110 LYS CB . 36061 1 1199 . 1 1 110 110 LYS CG C 13 23.622 0.047 . 1 . . . A 110 LYS CG . 36061 1 1200 . 1 1 110 110 LYS CD C 13 29.397 0.111 . 1 . . . A 110 LYS CD . 36061 1 1201 . 1 1 110 110 LYS CE C 13 42.242 0.000 . 1 . . . A 110 LYS CE . 36061 1 1202 . 1 1 110 110 LYS N N 15 123.110 0.029 . 1 . . . A 110 LYS N . 36061 1 1203 . 1 1 111 111 ARG H H 1 8.997 0.005 . 1 . . . A 111 ARG H . 36061 1 1204 . 1 1 111 111 ARG HA H 1 4.738 0.012 . 1 . . . A 111 ARG HA . 36061 1 1205 . 1 1 111 111 ARG HB2 H 1 2.049 0.016 . 1 . . . A 111 ARG HB2 . 36061 1 1206 . 1 1 111 111 ARG HB3 H 1 1.880 0.010 . 1 . . . A 111 ARG HB3 . 36061 1 1207 . 1 1 111 111 ARG HD2 H 1 3.380 0.008 . 1 . . . A 111 ARG HD2 . 36061 1 1208 . 1 1 111 111 ARG HD3 H 1 3.380 0.008 . 1 . . . A 111 ARG HD3 . 36061 1 1209 . 1 1 111 111 ARG C C 13 176.908 0.000 . 1 . . . A 111 ARG C . 36061 1 1210 . 1 1 111 111 ARG CA C 13 58.725 0.064 . 1 . . . A 111 ARG CA . 36061 1 1211 . 1 1 111 111 ARG CB C 13 30.053 0.084 . 1 . . . A 111 ARG CB . 36061 1 1212 . 1 1 111 111 ARG CD C 13 43.102 0.094 . 1 . . . A 111 ARG CD . 36061 1 1213 . 1 1 111 111 ARG N N 15 120.426 0.023 . 1 . . . A 111 ARG N . 36061 1 1214 . 1 1 112 112 GLY H H 1 8.711 0.006 . 1 . . . A 112 GLY H . 36061 1 1215 . 1 1 112 112 GLY HA2 H 1 4.537 0.007 . 1 . . . A 112 GLY HA2 . 36061 1 1216 . 1 1 112 112 GLY HA3 H 1 3.746 0.010 . 1 . . . A 112 GLY HA3 . 36061 1 1217 . 1 1 112 112 GLY C C 13 172.632 0.000 . 1 . . . A 112 GLY C . 36061 1 1218 . 1 1 112 112 GLY CA C 13 42.872 0.106 . 1 . . . A 112 GLY CA . 36061 1 1219 . 1 1 112 112 GLY N N 15 109.675 0.058 . 1 . . . A 112 GLY N . 36061 1 1220 . 1 1 113 113 GLY H H 1 7.032 0.007 . 1 . . . A 113 GLY H . 36061 1 1221 . 1 1 113 113 GLY HA2 H 1 4.120 0.010 . 1 . . . A 113 GLY HA2 . 36061 1 1222 . 1 1 113 113 GLY HA3 H 1 3.791 0.011 . 1 . . . A 113 GLY HA3 . 36061 1 1223 . 1 1 113 113 GLY C C 13 172.782 0.000 . 1 . . . A 113 GLY C . 36061 1 1224 . 1 1 113 113 GLY CA C 13 43.986 0.111 . 1 . . . A 113 GLY CA . 36061 1 1225 . 1 1 113 113 GLY N N 15 105.887 0.025 . 1 . . . A 113 GLY N . 36061 1 1226 . 1 1 114 114 TYR H H 1 9.272 0.007 . 1 . . . A 114 TYR H . 36061 1 1227 . 1 1 114 114 TYR HA H 1 3.743 0.022 . 1 . . . A 114 TYR HA . 36061 1 1228 . 1 1 114 114 TYR HB2 H 1 2.885 0.012 . 1 . . . A 114 TYR HB2 . 36061 1 1229 . 1 1 114 114 TYR HB3 H 1 2.885 0.012 . 1 . . . A 114 TYR HB3 . 36061 1 1230 . 1 1 114 114 TYR C C 13 177.581 0.000 . 1 . . . A 114 TYR C . 36061 1 1231 . 1 1 114 114 TYR CA C 13 61.164 0.236 . 1 . . . A 114 TYR CA . 36061 1 1232 . 1 1 114 114 TYR CB C 13 38.292 0.086 . 1 . . . A 114 TYR CB . 36061 1 1233 . 1 1 114 114 TYR N N 15 125.165 0.016 . 1 . . . A 114 TYR N . 36061 1 1234 . 1 1 115 115 GLY H H 1 6.954 0.008 . 1 . . . A 115 GLY H . 36061 1 1235 . 1 1 115 115 GLY HA2 H 1 3.940 0.016 . 1 . . . A 115 GLY HA2 . 36061 1 1236 . 1 1 115 115 GLY HA3 H 1 3.940 0.016 . 1 . . . A 115 GLY HA3 . 36061 1 1237 . 1 1 115 115 GLY C C 13 174.714 0.000 . 1 . . . A 115 GLY C . 36061 1 1238 . 1 1 115 115 GLY CA C 13 45.861 0.154 . 1 . . . A 115 GLY CA . 36061 1 1239 . 1 1 115 115 GLY N N 15 115.236 0.044 . 1 . . . A 115 GLY N . 36061 1 1240 . 1 1 116 116 GLN H H 1 7.429 0.012 . 1 . . . A 116 GLN H . 36061 1 1241 . 1 1 116 116 GLN HA H 1 4.433 0.005 . 1 . . . A 116 GLN HA . 36061 1 1242 . 1 1 116 116 GLN HB2 H 1 2.173 0.008 . 1 . . . A 116 GLN HB2 . 36061 1 1243 . 1 1 116 116 GLN HB3 H 1 1.756 0.024 . 1 . . . A 116 GLN HB3 . 36061 1 1244 . 1 1 116 116 GLN HG2 H 1 2.032 0.006 . 1 . . . A 116 GLN HG2 . 36061 1 1245 . 1 1 116 116 GLN HG3 H 1 2.032 0.006 . 1 . . . A 116 GLN HG3 . 36061 1 1246 . 1 1 116 116 GLN HE21 H 1 7.430 0.005 . 1 . . . A 116 GLN HE21 . 36061 1 1247 . 1 1 116 116 GLN HE22 H 1 6.675 0.005 . 1 . . . A 116 GLN HE22 . 36061 1 1248 . 1 1 116 116 GLN C C 13 174.585 0.000 . 1 . . . A 116 GLN C . 36061 1 1249 . 1 1 116 116 GLN CA C 13 53.401 0.086 . 1 . . . A 116 GLN CA . 36061 1 1250 . 1 1 116 116 GLN CB C 13 26.259 0.093 . 1 . . . A 116 GLN CB . 36061 1 1251 . 1 1 116 116 GLN CG C 13 32.616 0.228 . 1 . . . A 116 GLN CG . 36061 1 1252 . 1 1 116 116 GLN CD C 13 179.689 0.042 . 1 . . . A 116 GLN CD . 36061 1 1253 . 1 1 116 116 GLN N N 15 122.114 0.049 . 1 . . . A 116 GLN N . 36061 1 1254 . 1 1 116 116 GLN NE2 N 15 111.066 0.182 . 1 . . . A 116 GLN NE2 . 36061 1 1255 . 1 1 117 117 ASP H H 1 7.463 0.004 . 1 . . . A 117 ASP H . 36061 1 1256 . 1 1 117 117 ASP HA H 1 4.656 0.015 . 1 . . . A 117 ASP HA . 36061 1 1257 . 1 1 117 117 ASP HB2 H 1 2.720 0.011 . 1 . . . A 117 ASP HB2 . 36061 1 1258 . 1 1 117 117 ASP HB3 H 1 2.458 0.011 . 1 . . . A 117 ASP HB3 . 36061 1 1259 . 1 1 117 117 ASP C C 13 175.794 0.000 . 1 . . . A 117 ASP C . 36061 1 1260 . 1 1 117 117 ASP CA C 13 54.206 0.164 . 1 . . . A 117 ASP CA . 36061 1 1261 . 1 1 117 117 ASP CB C 13 41.825 0.041 . 1 . . . A 117 ASP CB . 36061 1 1262 . 1 1 117 117 ASP N N 15 120.664 0.052 . 1 . . . A 117 ASP N . 36061 1 1263 . 1 1 118 118 THR H H 1 9.775 0.005 . 1 . . . A 118 THR H . 36061 1 1264 . 1 1 118 118 THR HA H 1 3.869 0.008 . 1 . . . A 118 THR HA . 36061 1 1265 . 1 1 118 118 THR HB H 1 4.214 0.020 . 1 . . . A 118 THR HB . 36061 1 1266 . 1 1 118 118 THR HG1 H 1 5.859 0.000 . 1 . . . A 118 THR HG1 . 36061 1 1267 . 1 1 118 118 THR HG21 H 1 1.098 0.018 . 1 . . . A 118 THR HG21 . 36061 1 1268 . 1 1 118 118 THR HG22 H 1 1.098 0.018 . 1 . . . A 118 THR HG22 . 36061 1 1269 . 1 1 118 118 THR HG23 H 1 1.098 0.018 . 1 . . . A 118 THR HG23 . 36061 1 1270 . 1 1 118 118 THR C C 13 172.663 0.000 . 1 . . . A 118 THR C . 36061 1 1271 . 1 1 118 118 THR CA C 13 64.714 0.098 . 1 . . . A 118 THR CA . 36061 1 1272 . 1 1 118 118 THR CB C 13 71.147 0.099 . 1 . . . A 118 THR CB . 36061 1 1273 . 1 1 118 118 THR CG2 C 13 22.423 0.057 . 1 . . . A 118 THR CG2 . 36061 1 1274 . 1 1 118 118 THR N N 15 120.119 0.047 . 1 . . . A 118 THR N . 36061 1 1275 . 1 1 119 119 ALA H H 1 8.405 0.006 . 1 . . . A 119 ALA H . 36061 1 1276 . 1 1 119 119 ALA HA H 1 5.423 0.011 . 1 . . . A 119 ALA HA . 36061 1 1277 . 1 1 119 119 ALA HB1 H 1 1.510 0.017 . 1 . . . A 119 ALA HB1 . 36061 1 1278 . 1 1 119 119 ALA HB2 H 1 1.510 0.017 . 1 . . . A 119 ALA HB2 . 36061 1 1279 . 1 1 119 119 ALA HB3 H 1 1.510 0.017 . 1 . . . A 119 ALA HB3 . 36061 1 1280 . 1 1 119 119 ALA C C 13 177.015 0.000 . 1 . . . A 119 ALA C . 36061 1 1281 . 1 1 119 119 ALA CA C 13 50.787 0.077 . 1 . . . A 119 ALA CA . 36061 1 1282 . 1 1 119 119 ALA CB C 13 20.796 0.062 . 1 . . . A 119 ALA CB . 36061 1 1283 . 1 1 119 119 ALA N N 15 131.264 0.021 . 1 . . . A 119 ALA N . 36061 1 1284 . 1 1 120 120 VAL H H 1 8.771 0.006 . 1 . . . A 120 VAL H . 36061 1 1285 . 1 1 120 120 VAL HA H 1 4.657 0.015 . 1 . . . A 120 VAL HA . 36061 1 1286 . 1 1 120 120 VAL HB H 1 2.090 0.017 . 1 . . . A 120 VAL HB . 36061 1 1287 . 1 1 120 120 VAL HG11 H 1 1.198 0.016 . 1 . . . A 120 VAL HG11 . 36061 1 1288 . 1 1 120 120 VAL HG12 H 1 1.198 0.016 . 1 . . . A 120 VAL HG12 . 36061 1 1289 . 1 1 120 120 VAL HG13 H 1 1.198 0.016 . 1 . . . A 120 VAL HG13 . 36061 1 1290 . 1 1 120 120 VAL HG21 H 1 1.049 0.011 . 1 . . . A 120 VAL HG21 . 36061 1 1291 . 1 1 120 120 VAL HG22 H 1 1.049 0.011 . 1 . . . A 120 VAL HG22 . 36061 1 1292 . 1 1 120 120 VAL HG23 H 1 1.049 0.011 . 1 . . . A 120 VAL HG23 . 36061 1 1293 . 1 1 120 120 VAL C C 13 174.324 0.000 . 1 . . . A 120 VAL C . 36061 1 1294 . 1 1 120 120 VAL CA C 13 61.426 0.124 . 1 . . . A 120 VAL CA . 36061 1 1295 . 1 1 120 120 VAL CB C 13 37.144 0.075 . 1 . . . A 120 VAL CB . 36061 1 1296 . 1 1 120 120 VAL CG1 C 13 23.199 0.077 . 1 . . . A 120 VAL CG1 . 36061 1 1297 . 1 1 120 120 VAL CG2 C 13 21.273 0.074 . 1 . . . A 120 VAL CG2 . 36061 1 1298 . 1 1 120 120 VAL N N 15 121.586 0.028 . 1 . . . A 120 VAL N . 36061 1 1299 . 1 1 121 121 THR H H 1 9.151 0.004 . 1 . . . A 121 THR H . 36061 1 1300 . 1 1 121 121 THR HA H 1 5.006 0.009 . 1 . . . A 121 THR HA . 36061 1 1301 . 1 1 121 121 THR HB H 1 4.020 0.004 . 1 . . . A 121 THR HB . 36061 1 1302 . 1 1 121 121 THR HG1 H 1 5.528 0.000 . 1 . . . A 121 THR HG1 . 36061 1 1303 . 1 1 121 121 THR HG21 H 1 0.926 0.009 . 1 . . . A 121 THR HG21 . 36061 1 1304 . 1 1 121 121 THR HG22 H 1 0.926 0.009 . 1 . . . A 121 THR HG22 . 36061 1 1305 . 1 1 121 121 THR HG23 H 1 0.926 0.009 . 1 . . . A 121 THR HG23 . 36061 1 1306 . 1 1 121 121 THR C C 13 174.007 0.000 . 1 . . . A 121 THR C . 36061 1 1307 . 1 1 121 121 THR CA C 13 62.140 0.105 . 1 . . . A 121 THR CA . 36061 1 1308 . 1 1 121 121 THR CB C 13 69.333 0.174 . 1 . . . A 121 THR CB . 36061 1 1309 . 1 1 121 121 THR CG2 C 13 21.260 0.070 . 1 . . . A 121 THR CG2 . 36061 1 1310 . 1 1 121 121 THR N N 15 124.701 0.028 . 1 . . . A 121 THR N . 36061 1 1311 . 1 1 122 122 LEU H H 1 9.307 0.008 . 1 . . . A 122 LEU H . 36061 1 1312 . 1 1 122 122 LEU HA H 1 4.232 0.000 . 1 . . . A 122 LEU HA . 36061 1 1313 . 1 1 122 122 LEU HD11 H 1 0.647 0.001 . 1 . . . A 122 LEU HD11 . 36061 1 1314 . 1 1 122 122 LEU HD12 H 1 0.647 0.001 . 1 . . . A 122 LEU HD12 . 36061 1 1315 . 1 1 122 122 LEU HD13 H 1 0.647 0.001 . 1 . . . A 122 LEU HD13 . 36061 1 1316 . 1 1 122 122 LEU HD21 H 1 0.128 0.011 . 1 . . . A 122 LEU HD21 . 36061 1 1317 . 1 1 122 122 LEU HD22 H 1 0.128 0.011 . 1 . . . A 122 LEU HD22 . 36061 1 1318 . 1 1 122 122 LEU HD23 H 1 0.128 0.011 . 1 . . . A 122 LEU HD23 . 36061 1 1319 . 1 1 122 122 LEU CA C 13 50.342 0.000 . 1 . . . A 122 LEU CA . 36061 1 1320 . 1 1 122 122 LEU CB C 13 40.787 0.000 . 1 . . . A 122 LEU CB . 36061 1 1321 . 1 1 122 122 LEU N N 15 128.284 0.050 . 1 . . . A 122 LEU N . 36061 1 1322 . 1 1 123 123 PRO HA H 1 4.459 0.006 . 1 . . . A 123 PRO HA . 36061 1 1323 . 1 1 123 123 PRO HB2 H 1 2.323 0.018 . 1 . . . A 123 PRO HB2 . 36061 1 1324 . 1 1 123 123 PRO HB3 H 1 2.102 0.013 . 1 . . . A 123 PRO HB3 . 36061 1 1325 . 1 1 123 123 PRO HG2 H 1 2.169 0.005 . 1 . . . A 123 PRO HG2 . 36061 1 1326 . 1 1 123 123 PRO HG3 H 1 2.114 0.014 . 1 . . . A 123 PRO HG3 . 36061 1 1327 . 1 1 123 123 PRO HD2 H 1 4.264 0.017 . 1 . . . A 123 PRO HD2 . 36061 1 1328 . 1 1 123 123 PRO HD3 H 1 3.933 0.014 . 1 . . . A 123 PRO HD3 . 36061 1 1329 . 1 1 123 123 PRO C C 13 175.308 0.000 . 1 . . . A 123 PRO C . 36061 1 1330 . 1 1 123 123 PRO CA C 13 64.260 0.162 . 1 . . . A 123 PRO CA . 36061 1 1331 . 1 1 123 123 PRO CB C 13 32.801 0.091 . 1 . . . A 123 PRO CB . 36061 1 1332 . 1 1 123 123 PRO CG C 13 27.778 0.087 . 1 . . . A 123 PRO CG . 36061 1 1333 . 1 1 123 123 PRO CD C 13 50.838 0.114 . 1 . . . A 123 PRO CD . 36061 1 1334 . 1 1 124 124 GLU H H 1 6.564 0.004 . 1 . . . A 124 GLU H . 36061 1 1335 . 1 1 124 124 GLU HA H 1 4.704 0.004 . 1 . . . A 124 GLU HA . 36061 1 1336 . 1 1 124 124 GLU HB2 H 1 2.045 0.011 . 1 . . . A 124 GLU HB2 . 36061 1 1337 . 1 1 124 124 GLU HB3 H 1 1.735 0.010 . 1 . . . A 124 GLU HB3 . 36061 1 1338 . 1 1 124 124 GLU HG2 H 1 2.214 0.002 . 1 . . . A 124 GLU HG2 . 36061 1 1339 . 1 1 124 124 GLU HG3 H 1 2.040 0.007 . 1 . . . A 124 GLU HG3 . 36061 1 1340 . 1 1 124 124 GLU C C 13 175.016 0.000 . 1 . . . A 124 GLU C . 36061 1 1341 . 1 1 124 124 GLU CA C 13 53.822 0.084 . 1 . . . A 124 GLU CA . 36061 1 1342 . 1 1 124 124 GLU CB C 13 33.823 0.169 . 1 . . . A 124 GLU CB . 36061 1 1343 . 1 1 124 124 GLU CG C 13 35.599 0.054 . 1 . . . A 124 GLU CG . 36061 1 1344 . 1 1 124 124 GLU N N 15 111.617 0.018 . 1 . . . A 124 GLU N . 36061 1 1345 . 1 1 125 125 ALA H H 1 9.116 0.007 . 1 . . . A 125 ALA H . 36061 1 1346 . 1 1 125 125 ALA HA H 1 4.409 0.014 . 1 . . . A 125 ALA HA . 36061 1 1347 . 1 1 125 125 ALA HB1 H 1 1.642 0.006 . 1 . . . A 125 ALA HB1 . 36061 1 1348 . 1 1 125 125 ALA HB2 H 1 1.642 0.006 . 1 . . . A 125 ALA HB2 . 36061 1 1349 . 1 1 125 125 ALA HB3 H 1 1.642 0.006 . 1 . . . A 125 ALA HB3 . 36061 1 1350 . 1 1 125 125 ALA C C 13 176.609 0.000 . 1 . . . A 125 ALA C . 36061 1 1351 . 1 1 125 125 ALA CA C 13 52.109 0.113 . 1 . . . A 125 ALA CA . 36061 1 1352 . 1 1 125 125 ALA CB C 13 19.661 0.037 . 1 . . . A 125 ALA CB . 36061 1 1353 . 1 1 125 125 ALA N N 15 127.340 0.020 . 1 . . . A 125 ALA N . 36061 1 1354 . 1 1 126 126 GLY H H 1 8.563 0.008 . 1 . . . A 126 GLY H . 36061 1 1355 . 1 1 126 126 GLY HA2 H 1 4.307 0.011 . 1 . . . A 126 GLY HA2 . 36061 1 1356 . 1 1 126 126 GLY HA3 H 1 3.930 0.007 . 1 . . . A 126 GLY HA3 . 36061 1 1357 . 1 1 126 126 GLY C C 13 172.052 0.000 . 1 . . . A 126 GLY C . 36061 1 1358 . 1 1 126 126 GLY CA C 13 44.268 0.127 . 1 . . . A 126 GLY CA . 36061 1 1359 . 1 1 126 126 GLY N N 15 107.135 0.040 . 1 . . . A 126 GLY N . 36061 1 1360 . 1 1 127 127 GLN H H 1 8.425 0.010 . 1 . . . A 127 GLN H . 36061 1 1361 . 1 1 127 127 GLN HA H 1 5.034 0.017 . 1 . . . A 127 GLN HA . 36061 1 1362 . 1 1 127 127 GLN HB2 H 1 1.689 0.027 . 1 . . . A 127 GLN HB2 . 36061 1 1363 . 1 1 127 127 GLN HB3 H 1 1.689 0.027 . 1 . . . A 127 GLN HB3 . 36061 1 1364 . 1 1 127 127 GLN HG2 H 1 2.301 0.012 . 1 . . . A 127 GLN HG2 . 36061 1 1365 . 1 1 127 127 GLN HG3 H 1 2.024 0.010 . 1 . . . A 127 GLN HG3 . 36061 1 1366 . 1 1 127 127 GLN HE21 H 1 7.488 0.005 . 1 . . . A 127 GLN HE21 . 36061 1 1367 . 1 1 127 127 GLN HE22 H 1 6.679 0.007 . 1 . . . A 127 GLN HE22 . 36061 1 1368 . 1 1 127 127 GLN C C 13 176.054 0.000 . 1 . . . A 127 GLN C . 36061 1 1369 . 1 1 127 127 GLN CA C 13 56.515 0.079 . 1 . . . A 127 GLN CA . 36061 1 1370 . 1 1 127 127 GLN CB C 13 29.820 0.119 . 1 . . . A 127 GLN CB . 36061 1 1371 . 1 1 127 127 GLN CG C 13 34.989 0.045 . 1 . . . A 127 GLN CG . 36061 1 1372 . 1 1 127 127 GLN N N 15 119.204 0.051 . 1 . . . A 127 GLN N . 36061 1 1373 . 1 1 127 127 GLN NE2 N 15 111.480 0.105 . 1 . . . A 127 GLN NE2 . 36061 1 1374 . 1 1 128 128 TYR H H 1 9.077 0.006 . 1 . . . A 128 TYR H . 36061 1 1375 . 1 1 128 128 TYR HA H 1 4.876 0.018 . 1 . . . A 128 TYR HA . 36061 1 1376 . 1 1 128 128 TYR HB2 H 1 2.388 0.007 . 1 . . . A 128 TYR HB2 . 36061 1 1377 . 1 1 128 128 TYR HB3 H 1 2.051 0.017 . 1 . . . A 128 TYR HB3 . 36061 1 1378 . 1 1 128 128 TYR HD1 H 1 7.048 0.009 . 1 . . . A 128 TYR HD1 . 36061 1 1379 . 1 1 128 128 TYR HD2 H 1 6.798 0.008 . 1 . . . A 128 TYR HD2 . 36061 1 1380 . 1 1 128 128 TYR HE1 H 1 6.507 0.008 . 1 . . . A 128 TYR HE1 . 36061 1 1381 . 1 1 128 128 TYR HE2 H 1 6.507 0.008 . 1 . . . A 128 TYR HE2 . 36061 1 1382 . 1 1 128 128 TYR C C 13 173.165 0.000 . 1 . . . A 128 TYR C . 36061 1 1383 . 1 1 128 128 TYR CA C 13 56.902 0.104 . 1 . . . A 128 TYR CA . 36061 1 1384 . 1 1 128 128 TYR CB C 13 41.704 0.034 . 1 . . . A 128 TYR CB . 36061 1 1385 . 1 1 128 128 TYR N N 15 124.692 0.024 . 1 . . . A 128 TYR N . 36061 1 1386 . 1 1 129 129 VAL H H 1 9.167 0.013 . 1 . . . A 129 VAL H . 36061 1 1387 . 1 1 129 129 VAL HA H 1 5.207 0.016 . 1 . . . A 129 VAL HA . 36061 1 1388 . 1 1 129 129 VAL HB H 1 2.068 0.011 . 1 . . . A 129 VAL HB . 36061 1 1389 . 1 1 129 129 VAL HG11 H 1 0.759 0.014 . 1 . . . A 129 VAL HG11 . 36061 1 1390 . 1 1 129 129 VAL HG12 H 1 0.759 0.014 . 1 . . . A 129 VAL HG12 . 36061 1 1391 . 1 1 129 129 VAL HG13 H 1 0.759 0.014 . 1 . . . A 129 VAL HG13 . 36061 1 1392 . 1 1 129 129 VAL HG21 H 1 0.703 0.010 . 1 . . . A 129 VAL HG21 . 36061 1 1393 . 1 1 129 129 VAL HG22 H 1 0.703 0.010 . 1 . . . A 129 VAL HG22 . 36061 1 1394 . 1 1 129 129 VAL HG23 H 1 0.703 0.010 . 1 . . . A 129 VAL HG23 . 36061 1 1395 . 1 1 129 129 VAL C C 13 174.079 0.002 . 1 . . . A 129 VAL C . 36061 1 1396 . 1 1 129 129 VAL CA C 13 57.972 0.117 . 1 . . . A 129 VAL CA . 36061 1 1397 . 1 1 129 129 VAL CB C 13 34.784 0.163 . 1 . . . A 129 VAL CB . 36061 1 1398 . 1 1 129 129 VAL CG1 C 13 22.837 0.090 . 1 . . . A 129 VAL CG1 . 36061 1 1399 . 1 1 129 129 VAL CG2 C 13 19.108 0.060 . 1 . . . A 129 VAL CG2 . 36061 1 1400 . 1 1 129 129 VAL N N 15 116.901 0.033 . 1 . . . A 129 VAL N . 36061 1 1401 . 1 1 130 130 TRP H H 1 9.369 0.008 . 1 . . . A 130 TRP H . 36061 1 1402 . 1 1 130 130 TRP HA H 1 4.817 0.006 . 1 . . . A 130 TRP HA . 36061 1 1403 . 1 1 130 130 TRP HB2 H 1 3.637 0.004 . 1 . . . A 130 TRP HB2 . 36061 1 1404 . 1 1 130 130 TRP HB3 H 1 3.048 0.017 . 1 . . . A 130 TRP HB3 . 36061 1 1405 . 1 1 130 130 TRP HD1 H 1 7.059 0.013 . 1 . . . A 130 TRP HD1 . 36061 1 1406 . 1 1 130 130 TRP HZ2 H 1 7.258 0.003 . 1 . . . A 130 TRP HZ2 . 36061 1 1407 . 1 1 130 130 TRP C C 13 176.885 0.000 . 1 . . . A 130 TRP C . 36061 1 1408 . 1 1 130 130 TRP CA C 13 55.730 0.030 . 1 . . . A 130 TRP CA . 36061 1 1409 . 1 1 130 130 TRP CB C 13 29.132 0.030 . 1 . . . A 130 TRP CB . 36061 1 1410 . 1 1 130 130 TRP N N 15 133.392 0.205 . 1 . . . A 130 TRP N . 36061 1 1411 . 1 1 131 131 SER H H 1 9.745 0.006 . 1 . . . A 131 SER H . 36061 1 1412 . 1 1 131 131 SER HA H 1 6.290 0.013 . 1 . . . A 131 SER HA . 36061 1 1413 . 1 1 131 131 SER HB2 H 1 3.822 0.018 . 1 . . . A 131 SER HB2 . 36061 1 1414 . 1 1 131 131 SER HB3 H 1 3.627 0.000 . 1 . . . A 131 SER HB3 . 36061 1 1415 . 1 1 131 131 SER HG H 1 5.425 0.000 . 1 . . . A 131 SER HG . 36061 1 1416 . 1 1 131 131 SER C C 13 174.379 0.000 . 1 . . . A 131 SER C . 36061 1 1417 . 1 1 131 131 SER CA C 13 57.640 0.070 . 1 . . . A 131 SER CA . 36061 1 1418 . 1 1 131 131 SER CB C 13 66.989 0.021 . 1 . . . A 131 SER CB . 36061 1 1419 . 1 1 131 131 SER N N 15 117.837 0.021 . 1 . . . A 131 SER N . 36061 1 1420 . 1 1 132 132 LEU H H 1 9.190 0.009 . 1 . . . A 132 LEU H . 36061 1 1421 . 1 1 132 132 LEU HA H 1 4.813 0.012 . 1 . . . A 132 LEU HA . 36061 1 1422 . 1 1 132 132 LEU HB2 H 1 1.432 0.029 . 1 . . . A 132 LEU HB2 . 36061 1 1423 . 1 1 132 132 LEU HB3 H 1 0.983 0.043 . 1 . . . A 132 LEU HB3 . 36061 1 1424 . 1 1 132 132 LEU HG H 1 0.928 0.009 . 1 . . . A 132 LEU HG . 36061 1 1425 . 1 1 132 132 LEU HD11 H 1 0.522 0.013 . 1 . . . A 132 LEU HD11 . 36061 1 1426 . 1 1 132 132 LEU HD12 H 1 0.522 0.013 . 1 . . . A 132 LEU HD12 . 36061 1 1427 . 1 1 132 132 LEU HD13 H 1 0.522 0.013 . 1 . . . A 132 LEU HD13 . 36061 1 1428 . 1 1 132 132 LEU HD21 H 1 0.045 0.017 . 1 . . . A 132 LEU HD21 . 36061 1 1429 . 1 1 132 132 LEU HD22 H 1 0.045 0.017 . 1 . . . A 132 LEU HD22 . 36061 1 1430 . 1 1 132 132 LEU HD23 H 1 0.045 0.017 . 1 . . . A 132 LEU HD23 . 36061 1 1431 . 1 1 132 132 LEU C C 13 173.950 0.000 . 1 . . . A 132 LEU C . 36061 1 1432 . 1 1 132 132 LEU CA C 13 53.633 0.134 . 1 . . . A 132 LEU CA . 36061 1 1433 . 1 1 132 132 LEU CB C 13 48.103 0.054 . 1 . . . A 132 LEU CB . 36061 1 1434 . 1 1 132 132 LEU CG C 13 26.147 0.000 . 1 . . . A 132 LEU CG . 36061 1 1435 . 1 1 132 132 LEU CD1 C 13 24.136 0.044 . 1 . . . A 132 LEU CD1 . 36061 1 1436 . 1 1 132 132 LEU CD2 C 13 24.136 0.044 . 1 . . . A 132 LEU CD2 . 36061 1 1437 . 1 1 132 132 LEU N N 15 123.898 0.050 . 1 . . . A 132 LEU N . 36061 1 1438 . 1 1 133 133 LYS H H 1 8.613 0.009 . 1 . . . A 133 LYS H . 36061 1 1439 . 1 1 133 133 LYS HA H 1 5.287 0.010 . 1 . . . A 133 LYS HA . 36061 1 1440 . 1 1 133 133 LYS HB2 H 1 1.768 0.018 . 1 . . . A 133 LYS HB2 . 36061 1 1441 . 1 1 133 133 LYS HB3 H 1 1.471 0.015 . 1 . . . A 133 LYS HB3 . 36061 1 1442 . 1 1 133 133 LYS HD2 H 1 1.770 0.009 . 1 . . . A 133 LYS HD2 . 36061 1 1443 . 1 1 133 133 LYS HD3 H 1 1.641 0.012 . 1 . . . A 133 LYS HD3 . 36061 1 1444 . 1 1 133 133 LYS HE2 H 1 3.073 0.017 . 1 . . . A 133 LYS HE2 . 36061 1 1445 . 1 1 133 133 LYS HE3 H 1 3.073 0.017 . 1 . . . A 133 LYS HE3 . 36061 1 1446 . 1 1 133 133 LYS C C 13 174.321 0.000 . 1 . . . A 133 LYS C . 36061 1 1447 . 1 1 133 133 LYS CA C 13 55.416 0.059 . 1 . . . A 133 LYS CA . 36061 1 1448 . 1 1 133 133 LYS CB C 13 37.352 0.046 . 1 . . . A 133 LYS CB . 36061 1 1449 . 1 1 133 133 LYS CG C 13 25.330 0.000 . 1 . . . A 133 LYS CG . 36061 1 1450 . 1 1 133 133 LYS CD C 13 29.651 0.124 . 1 . . . A 133 LYS CD . 36061 1 1451 . 1 1 133 133 LYS CE C 13 42.250 0.000 . 1 . . . A 133 LYS CE . 36061 1 1452 . 1 1 133 133 LYS N N 15 122.450 0.037 . 1 . . . A 133 LYS N . 36061 1 1453 . 1 1 134 134 PHE H H 1 8.458 0.005 . 1 . . . A 134 PHE H . 36061 1 1454 . 1 1 134 134 PHE HA H 1 5.114 0.010 . 1 . . . A 134 PHE HA . 36061 1 1455 . 1 1 134 134 PHE HB2 H 1 3.086 0.019 . 1 . . . A 134 PHE HB2 . 36061 1 1456 . 1 1 134 134 PHE HB3 H 1 2.638 0.010 . 1 . . . A 134 PHE HB3 . 36061 1 1457 . 1 1 134 134 PHE HD1 H 1 6.837 0.013 . 1 . . . A 134 PHE HD1 . 36061 1 1458 . 1 1 134 134 PHE HD2 H 1 6.837 0.013 . 1 . . . A 134 PHE HD2 . 36061 1 1459 . 1 1 134 134 PHE HE1 H 1 7.036 0.006 . 1 . . . A 134 PHE HE1 . 36061 1 1460 . 1 1 134 134 PHE HE2 H 1 7.036 0.006 . 1 . . . A 134 PHE HE2 . 36061 1 1461 . 1 1 134 134 PHE C C 13 175.142 0.000 . 1 . . . A 134 PHE C . 36061 1 1462 . 1 1 134 134 PHE CA C 13 57.277 0.073 . 1 . . . A 134 PHE CA . 36061 1 1463 . 1 1 134 134 PHE CB C 13 44.273 0.068 . 1 . . . A 134 PHE CB . 36061 1 1464 . 1 1 134 134 PHE N N 15 125.647 0.038 . 1 . . . A 134 PHE N . 36061 1 1465 . 1 1 135 135 THR H H 1 9.165 0.005 . 1 . . . A 135 THR H . 36061 1 1466 . 1 1 135 135 THR HA H 1 4.830 0.014 . 1 . . . A 135 THR HA . 36061 1 1467 . 1 1 135 135 THR HB H 1 4.633 0.007 . 1 . . . A 135 THR HB . 36061 1 1468 . 1 1 135 135 THR HG1 H 1 5.101 0.008 . 1 . . . A 135 THR HG1 . 36061 1 1469 . 1 1 135 135 THR HG21 H 1 1.328 0.006 . 1 . . . A 135 THR HG21 . 36061 1 1470 . 1 1 135 135 THR HG22 H 1 1.328 0.006 . 1 . . . A 135 THR HG22 . 36061 1 1471 . 1 1 135 135 THR HG23 H 1 1.328 0.006 . 1 . . . A 135 THR HG23 . 36061 1 1472 . 1 1 135 135 THR C C 13 176.714 0.000 . 1 . . . A 135 THR C . 36061 1 1473 . 1 1 135 135 THR CA C 13 61.068 0.088 . 1 . . . A 135 THR CA . 36061 1 1474 . 1 1 135 135 THR CB C 13 71.695 0.142 . 1 . . . A 135 THR CB . 36061 1 1475 . 1 1 135 135 THR CG2 C 13 22.232 0.109 . 1 . . . A 135 THR CG2 . 36061 1 1476 . 1 1 135 135 THR N N 15 109.591 0.034 . 1 . . . A 135 THR N . 36061 1 1477 . 1 1 136 136 ASP H H 1 8.803 0.004 . 1 . . . A 136 ASP H . 36061 1 1478 . 1 1 136 136 ASP HA H 1 4.289 0.008 . 1 . . . A 136 ASP HA . 36061 1 1479 . 1 1 136 136 ASP HB2 H 1 2.702 0.010 . 1 . . . A 136 ASP HB2 . 36061 1 1480 . 1 1 136 136 ASP HB3 H 1 2.702 0.010 . 1 . . . A 136 ASP HB3 . 36061 1 1481 . 1 1 136 136 ASP C C 13 177.405 0.000 . 1 . . . A 136 ASP C . 36061 1 1482 . 1 1 136 136 ASP CA C 13 57.096 0.099 . 1 . . . A 136 ASP CA . 36061 1 1483 . 1 1 136 136 ASP CB C 13 40.727 0.050 . 1 . . . A 136 ASP CB . 36061 1 1484 . 1 1 136 136 ASP N N 15 118.683 0.036 . 1 . . . A 136 ASP N . 36061 1 1485 . 1 1 137 137 SER H H 1 7.784 0.010 . 1 . . . A 137 SER H . 36061 1 1486 . 1 1 137 137 SER HA H 1 4.496 0.003 . 1 . . . A 137 SER HA . 36061 1 1487 . 1 1 137 137 SER HB2 H 1 4.070 0.008 . 1 . . . A 137 SER HB2 . 36061 1 1488 . 1 1 137 137 SER HB3 H 1 3.817 0.006 . 1 . . . A 137 SER HB3 . 36061 1 1489 . 1 1 137 137 SER C C 13 175.043 0.000 . 1 . . . A 137 SER C . 36061 1 1490 . 1 1 137 137 SER CA C 13 57.930 0.044 . 1 . . . A 137 SER CA . 36061 1 1491 . 1 1 137 137 SER CB C 13 63.858 0.044 . 1 . . . A 137 SER CB . 36061 1 1492 . 1 1 137 137 SER N N 15 110.096 0.059 . 1 . . . A 137 SER N . 36061 1 1493 . 1 1 138 138 GLY H H 1 8.231 0.007 . 1 . . . A 138 GLY H . 36061 1 1494 . 1 1 138 138 GLY HA2 H 1 4.104 0.004 . 1 . . . A 138 GLY HA2 . 36061 1 1495 . 1 1 138 138 GLY HA3 H 1 3.078 0.007 . 1 . . . A 138 GLY HA3 . 36061 1 1496 . 1 1 138 138 GLY C C 13 172.906 0.000 . 1 . . . A 138 GLY C . 36061 1 1497 . 1 1 138 138 GLY CA C 13 45.459 0.128 . 1 . . . A 138 GLY CA . 36061 1 1498 . 1 1 138 138 GLY N N 15 109.900 0.032 . 1 . . . A 138 GLY N . 36061 1 1499 . 1 1 139 139 ASP H H 1 7.746 0.007 . 1 . . . A 139 ASP H . 36061 1 1500 . 1 1 139 139 ASP HB2 H 1 2.792 0.000 . 1 . . . A 139 ASP HB2 . 36061 1 1501 . 1 1 139 139 ASP HB3 H 1 2.703 0.000 . 1 . . . A 139 ASP HB3 . 36061 1 1502 . 1 1 139 139 ASP CA C 13 52.899 0.105 . 1 . . . A 139 ASP CA . 36061 1 1503 . 1 1 139 139 ASP CB C 13 39.357 0.038 . 1 . . . A 139 ASP CB . 36061 1 1504 . 1 1 139 139 ASP N N 15 119.875 0.038 . 1 . . . A 139 ASP N . 36061 1 1505 . 1 1 140 140 PRO HA H 1 3.961 0.005 . 1 . . . A 140 PRO HA . 36061 1 1506 . 1 1 140 140 PRO HB2 H 1 1.568 0.006 . 1 . . . A 140 PRO HB2 . 36061 1 1507 . 1 1 140 140 PRO HB3 H 1 1.568 0.006 . 1 . . . A 140 PRO HB3 . 36061 1 1508 . 1 1 140 140 PRO HG2 H 1 2.152 0.000 . 1 . . . A 140 PRO HG2 . 36061 1 1509 . 1 1 140 140 PRO HG3 H 1 2.152 0.000 . 1 . . . A 140 PRO HG3 . 36061 1 1510 . 1 1 140 140 PRO C C 13 175.194 0.000 . 1 . . . A 140 PRO C . 36061 1 1511 . 1 1 140 140 PRO CA C 13 63.975 0.062 . 1 . . . A 140 PRO CA . 36061 1 1512 . 1 1 140 140 PRO CB C 13 31.888 0.131 . 1 . . . A 140 PRO CB . 36061 1 1513 . 1 1 140 140 PRO CG C 13 27.780 0.000 . 1 . . . A 140 PRO CG . 36061 1 1514 . 1 1 141 141 GLU H H 1 7.900 0.004 . 1 . . . A 141 GLU H . 36061 1 1515 . 1 1 141 141 GLU HA H 1 4.786 0.006 . 1 . . . A 141 GLU HA . 36061 1 1516 . 1 1 141 141 GLU HB2 H 1 1.817 0.014 . 1 . . . A 141 GLU HB2 . 36061 1 1517 . 1 1 141 141 GLU HB3 H 1 1.674 0.017 . 1 . . . A 141 GLU HB3 . 36061 1 1518 . 1 1 141 141 GLU HG2 H 1 2.164 0.007 . 1 . . . A 141 GLU HG2 . 36061 1 1519 . 1 1 141 141 GLU HG3 H 1 1.949 0.010 . 1 . . . A 141 GLU HG3 . 36061 1 1520 . 1 1 141 141 GLU C C 13 172.039 0.000 . 1 . . . A 141 GLU C . 36061 1 1521 . 1 1 141 141 GLU CA C 13 58.597 0.118 . 1 . . . A 141 GLU CA . 36061 1 1522 . 1 1 141 141 GLU CB C 13 33.409 0.087 . 1 . . . A 141 GLU CB . 36061 1 1523 . 1 1 141 141 GLU CG C 13 37.041 0.017 . 1 . . . A 141 GLU CG . 36061 1 1524 . 1 1 141 141 GLU N N 15 118.210 0.021 . 1 . . . A 141 GLU N . 36061 1 1525 . 1 1 142 142 GLN H H 1 8.109 0.009 . 1 . . . A 142 GLN H . 36061 1 1526 . 1 1 142 142 GLN HA H 1 5.509 0.009 . 1 . . . A 142 GLN HA . 36061 1 1527 . 1 1 142 142 GLN HB2 H 1 1.990 0.025 . 1 . . . A 142 GLN HB2 . 36061 1 1528 . 1 1 142 142 GLN HB3 H 1 1.823 0.010 . 1 . . . A 142 GLN HB3 . 36061 1 1529 . 1 1 142 142 GLN HG2 H 1 2.296 0.012 . 1 . . . A 142 GLN HG2 . 36061 1 1530 . 1 1 142 142 GLN HG3 H 1 2.177 0.007 . 1 . . . A 142 GLN HG3 . 36061 1 1531 . 1 1 142 142 GLN HE21 H 1 7.434 0.004 . 1 . . . A 142 GLN HE21 . 36061 1 1532 . 1 1 142 142 GLN HE22 H 1 6.648 0.011 . 1 . . . A 142 GLN HE22 . 36061 1 1533 . 1 1 142 142 GLN C C 13 172.521 0.000 . 1 . . . A 142 GLN C . 36061 1 1534 . 1 1 142 142 GLN CA C 13 54.904 0.025 . 1 . . . A 142 GLN CA . 36061 1 1535 . 1 1 142 142 GLN CB C 13 35.796 0.102 . 1 . . . A 142 GLN CB . 36061 1 1536 . 1 1 142 142 GLN CG C 13 34.433 0.050 . 1 . . . A 142 GLN CG . 36061 1 1537 . 1 1 142 142 GLN CD C 13 178.795 0.014 . 1 . . . A 142 GLN CD . 36061 1 1538 . 1 1 142 142 GLN N N 15 117.716 0.029 . 1 . . . A 142 GLN N . 36061 1 1539 . 1 1 142 142 GLN NE2 N 15 110.715 0.184 . 1 . . . A 142 GLN NE2 . 36061 1 1540 . 1 1 143 143 ILE H H 1 8.744 0.005 . 1 . . . A 143 ILE H . 36061 1 1541 . 1 1 143 143 ILE HA H 1 4.968 0.028 . 1 . . . A 143 ILE HA . 36061 1 1542 . 1 1 143 143 ILE HB H 1 1.800 0.020 . 1 . . . A 143 ILE HB . 36061 1 1543 . 1 1 143 143 ILE HG12 H 1 0.736 0.010 . 1 . . . A 143 ILE HG12 . 36061 1 1544 . 1 1 143 143 ILE HG13 H 1 0.736 0.010 . 1 . . . A 143 ILE HG13 . 36061 1 1545 . 1 1 143 143 ILE HG21 H 1 0.720 0.009 . 1 . . . A 143 ILE HG21 . 36061 1 1546 . 1 1 143 143 ILE HG22 H 1 0.720 0.009 . 1 . . . A 143 ILE HG22 . 36061 1 1547 . 1 1 143 143 ILE HG23 H 1 0.720 0.009 . 1 . . . A 143 ILE HG23 . 36061 1 1548 . 1 1 143 143 ILE HD11 H 1 0.360 0.010 . 1 . . . A 143 ILE HD11 . 36061 1 1549 . 1 1 143 143 ILE HD12 H 1 0.360 0.010 . 1 . . . A 143 ILE HD12 . 36061 1 1550 . 1 1 143 143 ILE HD13 H 1 0.360 0.010 . 1 . . . A 143 ILE HD13 . 36061 1 1551 . 1 1 143 143 ILE C C 13 170.952 0.000 . 1 . . . A 143 ILE C . 36061 1 1552 . 1 1 143 143 ILE CA C 13 58.120 0.133 . 1 . . . A 143 ILE CA . 36061 1 1553 . 1 1 143 143 ILE CB C 13 39.644 0.012 . 1 . . . A 143 ILE CB . 36061 1 1554 . 1 1 143 143 ILE CG1 C 13 28.412 0.000 . 1 . . . A 143 ILE CG1 . 36061 1 1555 . 1 1 143 143 ILE CG2 C 13 14.741 0.019 . 1 . . . A 143 ILE CG2 . 36061 1 1556 . 1 1 143 143 ILE CD1 C 13 15.761 0.021 . 1 . . . A 143 ILE CD1 . 36061 1 1557 . 1 1 143 143 ILE N N 15 118.331 0.027 . 1 . . . A 143 ILE N . 36061 1 1558 . 1 1 144 144 MET H H 1 7.994 0.006 . 1 . . . A 144 MET H . 36061 1 1559 . 1 1 144 144 MET HA H 1 4.526 0.019 . 1 . . . A 144 MET HA . 36061 1 1560 . 1 1 144 144 MET HB2 H 1 1.881 0.011 . 1 . . . A 144 MET HB2 . 36061 1 1561 . 1 1 144 144 MET HB3 H 1 1.881 0.011 . 1 . . . A 144 MET HB3 . 36061 1 1562 . 1 1 144 144 MET HG2 H 1 2.309 0.007 . 1 . . . A 144 MET HG2 . 36061 1 1563 . 1 1 144 144 MET HG3 H 1 2.234 0.012 . 1 . . . A 144 MET HG3 . 36061 1 1564 . 1 1 144 144 MET HE1 H 1 1.894 0.006 . 1 . . . A 144 MET HE1 . 36061 1 1565 . 1 1 144 144 MET HE2 H 1 1.894 0.006 . 1 . . . A 144 MET HE2 . 36061 1 1566 . 1 1 144 144 MET HE3 H 1 1.894 0.006 . 1 . . . A 144 MET HE3 . 36061 1 1567 . 1 1 144 144 MET C C 13 172.308 0.000 . 1 . . . A 144 MET C . 36061 1 1568 . 1 1 144 144 MET CA C 13 55.450 0.062 . 1 . . . A 144 MET CA . 36061 1 1569 . 1 1 144 144 MET CB C 13 38.695 0.006 . 1 . . . A 144 MET CB . 36061 1 1570 . 1 1 144 144 MET CG C 13 31.314 0.037 . 1 . . . A 144 MET CG . 36061 1 1571 . 1 1 144 144 MET CE C 13 16.636 0.059 . 1 . . . A 144 MET CE . 36061 1 1572 . 1 1 144 144 MET N N 15 124.372 0.044 . 1 . . . A 144 MET N . 36061 1 1573 . 1 1 145 145 VAL H H 1 9.210 0.006 . 1 . . . A 145 VAL H . 36061 1 1574 . 1 1 145 145 VAL HA H 1 5.273 0.017 . 1 . . . A 145 VAL HA . 36061 1 1575 . 1 1 145 145 VAL HB H 1 1.562 0.019 . 1 . . . A 145 VAL HB . 36061 1 1576 . 1 1 145 145 VAL HG11 H 1 -0.714 0.000 . 1 . . . A 145 VAL HG11 . 36061 1 1577 . 1 1 145 145 VAL HG12 H 1 -0.714 0.000 . 1 . . . A 145 VAL HG12 . 36061 1 1578 . 1 1 145 145 VAL HG13 H 1 -0.714 0.000 . 1 . . . A 145 VAL HG13 . 36061 1 1579 . 1 1 145 145 VAL HG21 H 1 0.451 0.011 . 1 . . . A 145 VAL HG21 . 36061 1 1580 . 1 1 145 145 VAL HG22 H 1 0.451 0.011 . 1 . . . A 145 VAL HG22 . 36061 1 1581 . 1 1 145 145 VAL HG23 H 1 0.451 0.011 . 1 . . . A 145 VAL HG23 . 36061 1 1582 . 1 1 145 145 VAL C C 13 173.375 0.000 . 1 . . . A 145 VAL C . 36061 1 1583 . 1 1 145 145 VAL CA C 13 59.250 0.051 . 1 . . . A 145 VAL CA . 36061 1 1584 . 1 1 145 145 VAL CB C 13 34.817 0.100 . 1 . . . A 145 VAL CB . 36061 1 1585 . 1 1 145 145 VAL CG1 C 13 19.772 0.000 . 1 . . . A 145 VAL CG1 . 36061 1 1586 . 1 1 145 145 VAL CG2 C 13 18.758 0.013 . 1 . . . A 145 VAL CG2 . 36061 1 1587 . 1 1 145 145 VAL N N 15 123.753 0.029 . 1 . . . A 145 VAL N . 36061 1 1588 . 1 1 146 146 SER H H 1 8.244 0.008 . 1 . . . A 146 SER H . 36061 1 1589 . 1 1 146 146 SER HA H 1 4.778 0.017 . 1 . . . A 146 SER HA . 36061 1 1590 . 1 1 146 146 SER HB2 H 1 3.599 0.012 . 1 . . . A 146 SER HB2 . 36061 1 1591 . 1 1 146 146 SER HB3 H 1 3.488 0.007 . 1 . . . A 146 SER HB3 . 36061 1 1592 . 1 1 146 146 SER C C 13 172.509 0.000 . 1 . . . A 146 SER C . 36061 1 1593 . 1 1 146 146 SER CA C 13 56.786 0.077 . 1 . . . A 146 SER CA . 36061 1 1594 . 1 1 146 146 SER CB C 13 65.418 0.203 . 1 . . . A 146 SER CB . 36061 1 1595 . 1 1 146 146 SER N N 15 120.505 0.116 . 1 . . . A 146 SER N . 36061 1 1596 . 1 1 147 147 LYS H H 1 8.740 0.010 . 1 . . . A 147 LYS H . 36061 1 1597 . 1 1 147 147 LYS HA H 1 3.488 0.012 . 1 . . . A 147 LYS HA . 36061 1 1598 . 1 1 147 147 LYS HB2 H 1 1.398 0.012 . 1 . . . A 147 LYS HB2 . 36061 1 1599 . 1 1 147 147 LYS HB3 H 1 1.105 0.018 . 1 . . . A 147 LYS HB3 . 36061 1 1600 . 1 1 147 147 LYS HG2 H 1 1.385 0.000 . 1 . . . A 147 LYS HG2 . 36061 1 1601 . 1 1 147 147 LYS HG3 H 1 1.224 0.010 . 1 . . . A 147 LYS HG3 . 36061 1 1602 . 1 1 147 147 LYS HD2 H 1 1.774 0.026 . 1 . . . A 147 LYS HD2 . 36061 1 1603 . 1 1 147 147 LYS HD3 H 1 1.774 0.026 . 1 . . . A 147 LYS HD3 . 36061 1 1604 . 1 1 147 147 LYS C C 13 176.454 0.000 . 1 . . . A 147 LYS C . 36061 1 1605 . 1 1 147 147 LYS CA C 13 56.721 0.165 . 1 . . . A 147 LYS CA . 36061 1 1606 . 1 1 147 147 LYS CB C 13 33.255 0.043 . 1 . . . A 147 LYS CB . 36061 1 1607 . 1 1 147 147 LYS CG C 13 24.723 0.000 . 1 . . . A 147 LYS CG . 36061 1 1608 . 1 1 147 147 LYS CD C 13 28.526 0.023 . 1 . . . A 147 LYS CD . 36061 1 1609 . 1 1 147 147 LYS CE C 13 42.613 0.000 . 1 . . . A 147 LYS CE . 36061 1 1610 . 1 1 147 147 LYS N N 15 129.087 0.042 . 1 . . . A 147 LYS N . 36061 1 1611 . 1 1 148 148 CYS H H 1 8.537 0.014 . 1 . . . A 148 CYS H . 36061 1 1612 . 1 1 148 148 CYS CA C 13 53.759 0.042 . 1 . . . A 148 CYS CA . 36061 1 1613 . 1 1 148 148 CYS CB C 13 39.532 0.000 . 1 . . . A 148 CYS CB . 36061 1 1614 . 1 1 148 148 CYS N N 15 126.570 0.100 . 1 . . . A 148 CYS N . 36061 1 1615 . 1 1 149 149 PRO HA H 1 4.342 0.007 . 1 . . . A 149 PRO HA . 36061 1 1616 . 1 1 149 149 PRO HB2 H 1 2.217 0.005 . 1 . . . A 149 PRO HB2 . 36061 1 1617 . 1 1 149 149 PRO HB3 H 1 1.896 0.005 . 1 . . . A 149 PRO HB3 . 36061 1 1618 . 1 1 149 149 PRO HG2 H 1 1.937 0.010 . 1 . . . A 149 PRO HG2 . 36061 1 1619 . 1 1 149 149 PRO HG3 H 1 1.937 0.010 . 1 . . . A 149 PRO HG3 . 36061 1 1620 . 1 1 149 149 PRO HD2 H 1 3.697 0.004 . 1 . . . A 149 PRO HD2 . 36061 1 1621 . 1 1 149 149 PRO HD3 H 1 3.697 0.004 . 1 . . . A 149 PRO HD3 . 36061 1 1622 . 1 1 149 149 PRO C C 13 176.397 0.000 . 1 . . . A 149 PRO C . 36061 1 1623 . 1 1 149 149 PRO CA C 13 63.057 0.160 . 1 . . . A 149 PRO CA . 36061 1 1624 . 1 1 149 149 PRO CB C 13 32.538 0.357 . 1 . . . A 149 PRO CB . 36061 1 1625 . 1 1 149 149 PRO CG C 13 27.449 0.000 . 1 . . . A 149 PRO CG . 36061 1 stop_ save_