data_27503 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27503 _Entry.Title ; Backbone and side chain NMR assignments for the ribosome Elongation Factor P (EfP) from Staphylococcus aureus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-06-04 _Entry.Accession_date 2018-06-04 _Entry.Last_release_date 2018-06-04 _Entry.Original_release_date 2018-06-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 Alexander Golubev . . . . 27503 2 Shamil Validov . . . . 27503 3 Vladimir Klochkov . . . . 27503 4 Albert Aganov . . . . 27503 5 Iskander Khusainov . . . . 27503 6 Marat Yusupov . . . . 27503 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27503 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Elongation Factor P' . 27503 'Staphylococcus aureus' . 27503 ribosome . 27503 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27503 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 556 27503 '15N chemical shifts' 152 27503 '1H chemical shifts' 674 27503 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 . . 2018-10-03 . original BMRB . 27503 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27503 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30099718 _Citation.Full_citation . _Citation.Title ; Backbone and side chain NMR assignments for the ribosome Elongation Factor P (EF-P) from Staphylococcus aureus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 351 _Citation.Page_last 355 _Citation.Year 2018 _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 Konstantin Usachev . . . . 27503 1 2 Alexander Golubev . . . . 27503 1 3 Shamil Validov . . . . 27503 1 4 Vladimir Klochkov . . . . 27503 1 5 Albert Aganov . . . . 27503 1 6 Iskander Khusainov . . . . 27503 1 7 Marat Yusupov . . . . 27503 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID EfP 27503 1 'Elongation Factor P' 27503 1 'Staphylococcus aureus' 27503 1 ribosome 27503 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27503 _Assembly.ID 1 _Assembly.Name Ef-P _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 20545.9478 _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 Ef-P 1 $Ef-P A . yes native no no . . . 27503 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ef-P _Entity.Sf_category entity _Entity.Sf_framecode Ef-P _Entity.Entry_ID 27503 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ef-P _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 ; MISVNDFKTGLTISVDNAIW KVIDFQHVKPGKGSAFVRSK LRNLRTGAIQEKTFRAGEKV EPAMIENRRMQYLYADGDNH VFMDNESFEQTELSSDYLKE ELNYLKEGMEVQIQTYEGET IGVELPKTVELTVTETEPGI KGDTATGATKSATVETGYTL NVPLFVNEGDVLIINTGDGS YISRG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 185 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20545.9478 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'ribosome elongation factor' 27503 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 . MET . 27503 1 2 . ILE . 27503 1 3 . SER . 27503 1 4 . VAL . 27503 1 5 . ASN . 27503 1 6 . ASP . 27503 1 7 . PHE . 27503 1 8 . LYS . 27503 1 9 . THR . 27503 1 10 . GLY . 27503 1 11 . LEU . 27503 1 12 . THR . 27503 1 13 . ILE . 27503 1 14 . SER . 27503 1 15 . VAL . 27503 1 16 . ASP . 27503 1 17 . ASN . 27503 1 18 . ALA . 27503 1 19 . ILE . 27503 1 20 . TRP . 27503 1 21 . LYS . 27503 1 22 . VAL . 27503 1 23 . ILE . 27503 1 24 . ASP . 27503 1 25 . PHE . 27503 1 26 . GLN . 27503 1 27 . HIS . 27503 1 28 . VAL . 27503 1 29 . LYS . 27503 1 30 . PRO . 27503 1 31 . GLY . 27503 1 32 . LYS . 27503 1 33 . GLY . 27503 1 34 . SER . 27503 1 35 . ALA . 27503 1 36 . PHE . 27503 1 37 . VAL . 27503 1 38 . ARG . 27503 1 39 . SER . 27503 1 40 . LYS . 27503 1 41 . LEU . 27503 1 42 . ARG . 27503 1 43 . ASN . 27503 1 44 . LEU . 27503 1 45 . ARG . 27503 1 46 . THR . 27503 1 47 . GLY . 27503 1 48 . ALA . 27503 1 49 . ILE . 27503 1 50 . GLN . 27503 1 51 . GLU . 27503 1 52 . LYS . 27503 1 53 . THR . 27503 1 54 . PHE . 27503 1 55 . ARG . 27503 1 56 . ALA . 27503 1 57 . GLY . 27503 1 58 . GLU . 27503 1 59 . LYS . 27503 1 60 . VAL . 27503 1 61 . GLU . 27503 1 62 . PRO . 27503 1 63 . ALA . 27503 1 64 . MET . 27503 1 65 . ILE . 27503 1 66 . GLU . 27503 1 67 . ASN . 27503 1 68 . ARG . 27503 1 69 . ARG . 27503 1 70 . MET . 27503 1 71 . GLN . 27503 1 72 . TYR . 27503 1 73 . LEU . 27503 1 74 . TYR . 27503 1 75 . ALA . 27503 1 76 . ASP . 27503 1 77 . GLY . 27503 1 78 . ASP . 27503 1 79 . ASN . 27503 1 80 . HIS . 27503 1 81 . VAL . 27503 1 82 . PHE . 27503 1 83 . MET . 27503 1 84 . ASP . 27503 1 85 . ASN . 27503 1 86 . GLU . 27503 1 87 . SER . 27503 1 88 . PHE . 27503 1 89 . GLU . 27503 1 90 . GLN . 27503 1 91 . THR . 27503 1 92 . GLU . 27503 1 93 . LEU . 27503 1 94 . SER . 27503 1 95 . SER . 27503 1 96 . ASP . 27503 1 97 . TYR . 27503 1 98 . LEU . 27503 1 99 . LYS . 27503 1 100 . GLU . 27503 1 101 . GLU . 27503 1 102 . LEU . 27503 1 103 . ASN . 27503 1 104 . TYR . 27503 1 105 . LEU . 27503 1 106 . LYS . 27503 1 107 . GLU . 27503 1 108 . GLY . 27503 1 109 . MET . 27503 1 110 . GLU . 27503 1 111 . VAL . 27503 1 112 . GLN . 27503 1 113 . ILE . 27503 1 114 . GLN . 27503 1 115 . THR . 27503 1 116 . TYR . 27503 1 117 . GLU . 27503 1 118 . GLY . 27503 1 119 . GLU . 27503 1 120 . THR . 27503 1 121 . ILE . 27503 1 122 . GLY . 27503 1 123 . VAL . 27503 1 124 . GLU . 27503 1 125 . LEU . 27503 1 126 . PRO . 27503 1 127 . LYS . 27503 1 128 . THR . 27503 1 129 . VAL . 27503 1 130 . GLU . 27503 1 131 . LEU . 27503 1 132 . THR . 27503 1 133 . VAL . 27503 1 134 . THR . 27503 1 135 . GLU . 27503 1 136 . THR . 27503 1 137 . GLU . 27503 1 138 . PRO . 27503 1 139 . GLY . 27503 1 140 . ILE . 27503 1 141 . LYS . 27503 1 142 . GLY . 27503 1 143 . ASP . 27503 1 144 . THR . 27503 1 145 . ALA . 27503 1 146 . THR . 27503 1 147 . GLY . 27503 1 148 . ALA . 27503 1 149 . THR . 27503 1 150 . LYS . 27503 1 151 . SER . 27503 1 152 . ALA . 27503 1 153 . THR . 27503 1 154 . VAL . 27503 1 155 . GLU . 27503 1 156 . THR . 27503 1 157 . GLY . 27503 1 158 . TYR . 27503 1 159 . THR . 27503 1 160 . LEU . 27503 1 161 . ASN . 27503 1 162 . VAL . 27503 1 163 . PRO . 27503 1 164 . LEU . 27503 1 165 . PHE . 27503 1 166 . VAL . 27503 1 167 . ASN . 27503 1 168 . GLU . 27503 1 169 . GLY . 27503 1 170 . ASP . 27503 1 171 . VAL . 27503 1 172 . LEU . 27503 1 173 . ILE . 27503 1 174 . ILE . 27503 1 175 . ASN . 27503 1 176 . THR . 27503 1 177 . GLY . 27503 1 178 . ASP . 27503 1 179 . GLY . 27503 1 180 . SER . 27503 1 181 . TYR . 27503 1 182 . ILE . 27503 1 183 . SER . 27503 1 184 . ARG . 27503 1 185 . GLY . 27503 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27503 1 . ILE 2 2 27503 1 . SER 3 3 27503 1 . VAL 4 4 27503 1 . ASN 5 5 27503 1 . ASP 6 6 27503 1 . PHE 7 7 27503 1 . LYS 8 8 27503 1 . THR 9 9 27503 1 . GLY 10 10 27503 1 . LEU 11 11 27503 1 . THR 12 12 27503 1 . ILE 13 13 27503 1 . SER 14 14 27503 1 . VAL 15 15 27503 1 . ASP 16 16 27503 1 . ASN 17 17 27503 1 . ALA 18 18 27503 1 . ILE 19 19 27503 1 . TRP 20 20 27503 1 . LYS 21 21 27503 1 . VAL 22 22 27503 1 . ILE 23 23 27503 1 . ASP 24 24 27503 1 . PHE 25 25 27503 1 . GLN 26 26 27503 1 . HIS 27 27 27503 1 . VAL 28 28 27503 1 . LYS 29 29 27503 1 . PRO 30 30 27503 1 . GLY 31 31 27503 1 . LYS 32 32 27503 1 . GLY 33 33 27503 1 . SER 34 34 27503 1 . ALA 35 35 27503 1 . PHE 36 36 27503 1 . VAL 37 37 27503 1 . ARG 38 38 27503 1 . SER 39 39 27503 1 . LYS 40 40 27503 1 . LEU 41 41 27503 1 . ARG 42 42 27503 1 . ASN 43 43 27503 1 . LEU 44 44 27503 1 . ARG 45 45 27503 1 . THR 46 46 27503 1 . GLY 47 47 27503 1 . ALA 48 48 27503 1 . ILE 49 49 27503 1 . GLN 50 50 27503 1 . GLU 51 51 27503 1 . LYS 52 52 27503 1 . THR 53 53 27503 1 . PHE 54 54 27503 1 . ARG 55 55 27503 1 . ALA 56 56 27503 1 . GLY 57 57 27503 1 . GLU 58 58 27503 1 . LYS 59 59 27503 1 . VAL 60 60 27503 1 . GLU 61 61 27503 1 . PRO 62 62 27503 1 . ALA 63 63 27503 1 . MET 64 64 27503 1 . ILE 65 65 27503 1 . GLU 66 66 27503 1 . ASN 67 67 27503 1 . ARG 68 68 27503 1 . ARG 69 69 27503 1 . MET 70 70 27503 1 . GLN 71 71 27503 1 . TYR 72 72 27503 1 . LEU 73 73 27503 1 . TYR 74 74 27503 1 . ALA 75 75 27503 1 . ASP 76 76 27503 1 . GLY 77 77 27503 1 . ASP 78 78 27503 1 . ASN 79 79 27503 1 . HIS 80 80 27503 1 . VAL 81 81 27503 1 . PHE 82 82 27503 1 . MET 83 83 27503 1 . ASP 84 84 27503 1 . ASN 85 85 27503 1 . GLU 86 86 27503 1 . SER 87 87 27503 1 . PHE 88 88 27503 1 . GLU 89 89 27503 1 . GLN 90 90 27503 1 . THR 91 91 27503 1 . GLU 92 92 27503 1 . LEU 93 93 27503 1 . SER 94 94 27503 1 . SER 95 95 27503 1 . ASP 96 96 27503 1 . TYR 97 97 27503 1 . LEU 98 98 27503 1 . LYS 99 99 27503 1 . GLU 100 100 27503 1 . GLU 101 101 27503 1 . LEU 102 102 27503 1 . ASN 103 103 27503 1 . TYR 104 104 27503 1 . LEU 105 105 27503 1 . LYS 106 106 27503 1 . GLU 107 107 27503 1 . GLY 108 108 27503 1 . MET 109 109 27503 1 . GLU 110 110 27503 1 . VAL 111 111 27503 1 . GLN 112 112 27503 1 . ILE 113 113 27503 1 . GLN 114 114 27503 1 . THR 115 115 27503 1 . TYR 116 116 27503 1 . GLU 117 117 27503 1 . GLY 118 118 27503 1 . GLU 119 119 27503 1 . THR 120 120 27503 1 . ILE 121 121 27503 1 . GLY 122 122 27503 1 . VAL 123 123 27503 1 . GLU 124 124 27503 1 . LEU 125 125 27503 1 . PRO 126 126 27503 1 . LYS 127 127 27503 1 . THR 128 128 27503 1 . VAL 129 129 27503 1 . GLU 130 130 27503 1 . LEU 131 131 27503 1 . THR 132 132 27503 1 . VAL 133 133 27503 1 . THR 134 134 27503 1 . GLU 135 135 27503 1 . THR 136 136 27503 1 . GLU 137 137 27503 1 . PRO 138 138 27503 1 . GLY 139 139 27503 1 . ILE 140 140 27503 1 . LYS 141 141 27503 1 . GLY 142 142 27503 1 . ASP 143 143 27503 1 . THR 144 144 27503 1 . ALA 145 145 27503 1 . THR 146 146 27503 1 . GLY 147 147 27503 1 . ALA 148 148 27503 1 . THR 149 149 27503 1 . LYS 150 150 27503 1 . SER 151 151 27503 1 . ALA 152 152 27503 1 . THR 153 153 27503 1 . VAL 154 154 27503 1 . GLU 155 155 27503 1 . THR 156 156 27503 1 . GLY 157 157 27503 1 . TYR 158 158 27503 1 . THR 159 159 27503 1 . LEU 160 160 27503 1 . ASN 161 161 27503 1 . VAL 162 162 27503 1 . PRO 163 163 27503 1 . LEU 164 164 27503 1 . PHE 165 165 27503 1 . VAL 166 166 27503 1 . ASN 167 167 27503 1 . GLU 168 168 27503 1 . GLY 169 169 27503 1 . ASP 170 170 27503 1 . VAL 171 171 27503 1 . LEU 172 172 27503 1 . ILE 173 173 27503 1 . ILE 174 174 27503 1 . ASN 175 175 27503 1 . THR 176 176 27503 1 . GLY 177 177 27503 1 . ASP 178 178 27503 1 . GLY 179 179 27503 1 . SER 180 180 27503 1 . TYR 181 181 27503 1 . ILE 182 182 27503 1 . SER 183 183 27503 1 . ARG 184 184 27503 1 . GLY 185 185 27503 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 27503 _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 $Ef-P . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . 27503 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 27503 _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 $Ef-P . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 27503 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27503 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 Ef-P '[U-100% 13C; U-100% 15N]' . . 1 $Ef-P . . 1.3 . . mM . . . . 27503 1 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 27503 _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 pH 7.6 . pH 27503 1 temperature 308 . K 27503 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 27503 _Software.ID 1 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 27503 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27503 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_AVANCE_700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode AVANCE_700 _NMR_spectrometer.Entry_ID 27503 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 27503 _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 AVANCE_700 Bruker Avance . 700 . . . 27503 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 27503 _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 $AVANCE_700 . . . . . . . . . . . . . . . . 27503 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVANCE_700 . . . . . . . . . . . . . . . . 27503 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVANCE_700 . . . . . . . . . . . . . . . . 27503 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVANCE_700 . . . . . . . . . . . . . . . . 27503 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVANCE_700 . . . . . . . . . . . . . . . . 27503 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVANCE_700 . . . . . . . . . . . . . . . . 27503 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVANCE_700 . . . . . . . . . . . . . . . . 27503 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVANCE_700 . . . . . . . . . . . . . . . . 27503 1 9 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVANCE_700 . . . . . . . . . . . . . . . . 27503 1 10 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVANCE_700 . . . . . . . . . . . . . . . . 27503 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVANCE_700 . . . . . . . . . . . . . . . . 27503 1 12 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVANCE_700 . . . . . . . . . . . . . . . . 27503 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVANCE_700 . . . . . . . . . . . . . . . . 27503 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVANCE_700 . . . . . . . . . . . . . . . . 27503 1 15 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AVANCE_700 . . . . . . . . . . . . . . . . 27503 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27503 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 na 'methyl carbon' . . . . na 0 na direct 1 . . . . . 27503 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 27503 1 N 15 na nitrogen . . . . na 0 na direct 1 . . . . . 27503 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_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 27503 _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 $chemical_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' . . . 27503 1 2 '2D 1H-13C HSQC' . . . 27503 1 3 '2D 1H-13C HSQC aliphatic' . . . 27503 1 4 '2D 1H-13C HSQC aromatic' . . . 27503 1 5 '2D 1H-1H NOESY' . . . 27503 1 6 '3D CBCA(CO)NH' . . . 27503 1 7 '3D C(CO)NH' . . . 27503 1 8 '3D HNCO' . . . 27503 1 9 '3D HNCA' . . . 27503 1 10 '3D HNCACB' . . . 27503 1 11 '3D HBHA(CO)NH' . . . 27503 1 13 '3D HCCH-TOCSY' . . . 27503 1 14 '3D 1H-15N NOESY' . . . 27503 1 15 '3D 1H-15N TOCSY' . . . 27503 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 27503 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.Ambiguity_set_ID _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 ILE H H 1 9.003 0.003 . 1 . . 2570 . . 2 ILE H . 27503 1 2 . 1 1 2 2 ILE HA H 1 4.333 0.011 . 1 . . 2938 . . 2 ILE HA . 27503 1 3 . 1 1 2 2 ILE HB H 1 1.732 0.008 . 1 . . 3207 . . 2 ILE HB . 27503 1 4 . 1 1 2 2 ILE C C 13 175.434 . . 1 . . 3191 . . 2 ILE C . 27503 1 5 . 1 1 2 2 ILE CA C 13 57.197 0.085 . 1 . . 848 . . 2 ILE CA . 27503 1 6 . 1 1 2 2 ILE CB C 13 37.667 0.029 . 1 . . 847 . . 2 ILE CB . 27503 1 7 . 1 1 2 2 ILE CG1 C 13 24.487 . . 1 . . 1014 . . 2 ILE CG1 . 27503 1 8 . 1 1 2 2 ILE CG2 C 13 14.644 . . 1 . . 1015 . . 2 ILE CG2 . 27503 1 9 . 1 1 2 2 ILE CD1 C 13 11.407 . . 1 . . 1016 . . 2 ILE CD1 . 27503 1 10 . 1 1 2 2 ILE N N 15 120.012 0.026 . 1 . . 2571 . . 2 ILE N . 27503 1 11 . 1 1 3 3 SER H H 1 8.957 0.008 . 1 . . 154 . . 3 SER H . 27503 1 12 . 1 1 3 3 SER C C 13 177.126 0.009 . 1 . . 1011 . . 3 SER C . 27503 1 13 . 1 1 3 3 SER CA C 13 54.663 0.079 . 1 . . 446 . . 3 SER CA . 27503 1 14 . 1 1 3 3 SER CB C 13 61.698 0.11 . 1 . . 445 . . 3 SER CB . 27503 1 15 . 1 1 3 3 SER N N 15 119.885 0.019 . 1 . . 155 . . 3 SER N . 27503 1 16 . 1 1 4 4 VAL H H 1 8.341 0.003 . 1 . . 19 . . 4 VAL H . 27503 1 17 . 1 1 4 4 VAL HA H 1 4.450 0.003 . 1 . . 2937 . . 4 VAL HA . 27503 1 18 . 1 1 4 4 VAL HB H 1 1.908 0.005 . 1 . . 3202 . . 4 VAL HB . 27503 1 19 . 1 1 4 4 VAL HG11 H 1 0.699 0.01 . 2 . . 3075 . . 4 VAL HG11 . 27503 1 20 . 1 1 4 4 VAL HG12 H 1 0.699 0.01 . 2 . . 3075 . . 4 VAL HG12 . 27503 1 21 . 1 1 4 4 VAL HG13 H 1 0.699 0.01 . 2 . . 3075 . . 4 VAL HG13 . 27503 1 22 . 1 1 4 4 VAL HG21 H 1 0.225 0.004 . 2 . . 3076 . . 4 VAL HG21 . 27503 1 23 . 1 1 4 4 VAL HG22 H 1 0.225 0.004 . 2 . . 3076 . . 4 VAL HG22 . 27503 1 24 . 1 1 4 4 VAL HG23 H 1 0.225 0.004 . 2 . . 3076 . . 4 VAL HG23 . 27503 1 25 . 1 1 4 4 VAL C C 13 176.602 0.007 . 1 . . 786 . . 4 VAL C . 27503 1 26 . 1 1 4 4 VAL CA C 13 61.162 0.064 . 1 . . 359 . . 4 VAL CA . 27503 1 27 . 1 1 4 4 VAL CB C 13 27.584 0.041 . 1 . . 785 . . 4 VAL CB . 27503 1 28 . 1 1 4 4 VAL CG1 C 13 16.548 0.036 . 2 . . 1013 . . 4 VAL CG1 . 27503 1 29 . 1 1 4 4 VAL CG2 C 13 18.637 0.032 . 2 . . 1012 . . 4 VAL CG2 . 27503 1 30 . 1 1 4 4 VAL N N 15 120.982 0.049 . 1 . . 20 . . 4 VAL N . 27503 1 31 . 1 1 5 5 ASN H H 1 7.857 0.008 . 1 . . 77 . . 5 ASN H . 27503 1 32 . 1 1 5 5 ASN HA H 1 4.261 0.02 . 1 . . 2935 . . 5 ASN HA . 27503 1 33 . 1 1 5 5 ASN HB2 H 1 2.478 0.003 . 1 . . 2936 . . 5 ASN HB2 . 27503 1 34 . 1 1 5 5 ASN C C 13 176.102 . . 1 . . 609 . . 5 ASN C . 27503 1 35 . 1 1 5 5 ASN CA C 13 52.426 0.047 . 1 . . 390 . . 5 ASN CA . 27503 1 36 . 1 1 5 5 ASN CB C 13 34.950 0.028 . 1 . . 391 . . 5 ASN CB . 27503 1 37 . 1 1 5 5 ASN N N 15 117.099 0.059 . 1 . . 78 . . 5 ASN N . 27503 1 38 . 1 1 6 6 ASP H H 1 7.929 0.004 . 1 . . 307 . . 6 ASP H . 27503 1 39 . 1 1 6 6 ASP HA H 1 4.755 0.019 . 1 . . 2933 . . 6 ASP HA . 27503 1 40 . 1 1 6 6 ASP HB2 H 1 2.895 0.015 . 1 . . 2934 . . 6 ASP HB2 . 27503 1 41 . 1 1 6 6 ASP C C 13 175.508 0.025 . 1 . . 654 . . 6 ASP C . 27503 1 42 . 1 1 6 6 ASP CA C 13 51.249 0.04 . 1 . . 537 . . 6 ASP CA . 27503 1 43 . 1 1 6 6 ASP CB C 13 38.541 0.035 . 1 . . 538 . . 6 ASP CB . 27503 1 44 . 1 1 6 6 ASP N N 15 118.472 0.028 . 1 . . 308 . . 6 ASP N . 27503 1 45 . 1 1 7 7 PHE H H 1 7.061 0.005 . 1 . . 247 . . 7 PHE H . 27503 1 46 . 1 1 7 7 PHE HA H 1 3.789 0.015 . 1 . . 2930 . . 7 PHE HA . 27503 1 47 . 1 1 7 7 PHE HB2 H 1 2.315 0.008 . 2 . . 2931 . . 7 PHE HB2 . 27503 1 48 . 1 1 7 7 PHE HB3 H 1 2.424 0.007 . 2 . . 2932 . . 7 PHE HB3 . 27503 1 49 . 1 1 7 7 PHE HD1 H 1 6.733 0.022 . 1 . . 3200 . . 7 PHE HD1 . 27503 1 50 . 1 1 7 7 PHE HD2 H 1 6.733 0.022 . 1 . . 3200 . . 7 PHE HD2 . 27503 1 51 . 1 1 7 7 PHE HE1 H 1 6.575 0.023 . 1 . . 3074 . . 7 PHE HE1 . 27503 1 52 . 1 1 7 7 PHE HE2 H 1 6.575 0.023 . 1 . . 3074 . . 7 PHE HE2 . 27503 1 53 . 1 1 7 7 PHE C C 13 173.768 0.031 . 1 . . 683 . . 7 PHE C . 27503 1 54 . 1 1 7 7 PHE CA C 13 55.500 0.038 . 1 . . 505 . . 7 PHE CA . 27503 1 55 . 1 1 7 7 PHE CB C 13 34.859 0.017 . 1 . . 504 . . 7 PHE CB . 27503 1 56 . 1 1 7 7 PHE N N 15 119.413 0.021 . 1 . . 248 . . 7 PHE N . 27503 1 57 . 1 1 8 8 LYS H H 1 6.123 0.007 . 1 . . 162 . . 8 LYS H . 27503 1 58 . 1 1 8 8 LYS HA H 1 4.675 0.016 . 1 . . 3073 . . 8 LYS HA . 27503 1 59 . 1 1 8 8 LYS C C 13 175.532 0.039 . 1 . . 646 . . 8 LYS C . 27503 1 60 . 1 1 8 8 LYS CA C 13 51.640 0.032 . 1 . . 451 . . 8 LYS CA . 27503 1 61 . 1 1 8 8 LYS CB C 13 33.315 0.062 . 1 . . 452 . . 8 LYS CB . 27503 1 62 . 1 1 8 8 LYS CG C 13 21.488 . . 1 . . 1010 . . 8 LYS CG . 27503 1 63 . 1 1 8 8 LYS N N 15 113.926 0.017 . 1 . . 163 . . 8 LYS N . 27503 1 64 . 1 1 9 9 THR H H 1 8.915 0.005 . 1 . . 178 . . 9 THR H . 27503 1 65 . 1 1 9 9 THR HA H 1 3.767 0.046 . 1 . . 2691 . . 9 THR HA . 27503 1 66 . 1 1 9 9 THR HB H 1 4.179 0.002 . 1 . . 2690 . . 9 THR HB . 27503 1 67 . 1 1 9 9 THR HG21 H 1 0.815 0.021 . 1 . . 2692 . . 9 THR HG21 . 27503 1 68 . 1 1 9 9 THR HG22 H 1 0.815 0.021 . 1 . . 2692 . . 9 THR HG22 . 27503 1 69 . 1 1 9 9 THR HG23 H 1 0.815 0.021 . 1 . . 2692 . . 9 THR HG23 . 27503 1 70 . 1 1 9 9 THR C C 13 175.774 . . 1 . . 938 . . 9 THR C . 27503 1 71 . 1 1 9 9 THR CA C 13 62.241 0.031 . 1 . . 463 . . 9 THR CA . 27503 1 72 . 1 1 9 9 THR CB C 13 65.873 0.043 . 1 . . 462 . . 9 THR CB . 27503 1 73 . 1 1 9 9 THR CG2 C 13 20.248 0.019 . 1 . . 1009 . . 9 THR CG2 . 27503 1 74 . 1 1 9 9 THR N N 15 116.944 0.02 . 1 . . 179 . . 9 THR N . 27503 1 75 . 1 1 10 10 GLY H H 1 9.187 0.004 . 1 . . 270 . . 10 GLY H . 27503 1 76 . 1 1 10 10 GLY HA2 H 1 3.813 0.003 . 2 . . 2688 . . 10 GLY HA2 . 27503 1 77 . 1 1 10 10 GLY HA3 H 1 4.426 0.01 . 2 . . 2929 . . 10 GLY HA3 . 27503 1 78 . 1 1 10 10 GLY C C 13 173.649 0.007 . 1 . . 687 . . 10 GLY C . 27503 1 79 . 1 1 10 10 GLY CA C 13 42.515 0.026 . 1 . . 516 . . 10 GLY CA . 27503 1 80 . 1 1 10 10 GLY N N 15 113.301 0.089 . 1 . . 271 . . 10 GLY N . 27503 1 81 . 1 1 11 11 LEU H H 1 7.150 0.012 . 1 . . 338 . . 11 LEU H . 27503 1 82 . 1 1 11 11 LEU HA H 1 4.228 0.011 . 1 . . 2926 . . 11 LEU HA . 27503 1 83 . 1 1 11 11 LEU HB2 H 1 1.383 0.012 . 1 . . 2927 . . 11 LEU HB2 . 27503 1 84 . 1 1 11 11 LEU C C 13 175.801 0.048 . 1 . . 709 . . 11 LEU C . 27503 1 85 . 1 1 11 11 LEU CA C 13 52.931 0.022 . 1 . . 567 . . 11 LEU CA . 27503 1 86 . 1 1 11 11 LEU CB C 13 41.228 0.023 . 1 . . 568 . . 11 LEU CB . 27503 1 87 . 1 1 11 11 LEU CD1 C 13 23.389 . . 2 . . 1007 . . 11 LEU CD1 . 27503 1 88 . 1 1 11 11 LEU CD2 C 13 21.760 . . 2 . . 1008 . . 11 LEU CD2 . 27503 1 89 . 1 1 11 11 LEU N N 15 121.085 0.064 . 1 . . 339 . . 11 LEU N . 27503 1 90 . 1 1 12 12 THR H H 1 7.975 0.008 . 1 . . 53 . . 12 THR H . 27503 1 91 . 1 1 12 12 THR HA H 1 5.640 0.011 . 1 . . 3072 . . 12 THR HA . 27503 1 92 . 1 1 12 12 THR HB H 1 3.971 0.012 . 1 . . 2925 . . 12 THR HB . 27503 1 93 . 1 1 12 12 THR C C 13 175.488 0.009 . 1 . . 588 . . 12 THR C . 27503 1 94 . 1 1 12 12 THR CA C 13 56.550 0.038 . 1 . . 375 . . 12 THR CA . 27503 1 95 . 1 1 12 12 THR CB C 13 66.826 0.028 . 1 . . 374 . . 12 THR CB . 27503 1 96 . 1 1 12 12 THR CG2 C 13 20.445 . . 1 . . 1006 . . 12 THR CG2 . 27503 1 97 . 1 1 12 12 THR N N 15 115.194 0.047 . 1 . . 54 . . 12 THR N . 27503 1 98 . 1 1 13 13 ILE H H 1 9.090 0.01 . 1 . . 336 . . 13 ILE H . 27503 1 99 . 1 1 13 13 ILE HA H 1 5.036 0.01 . 1 . . 2923 . . 13 ILE HA . 27503 1 100 . 1 1 13 13 ILE HB H 1 1.761 0.013 . 1 . . 3205 . . 13 ILE HB . 27503 1 101 . 1 1 13 13 ILE HD11 H 1 0.467 0.011 . 1 . . 2924 . . 13 ILE HD11 . 27503 1 102 . 1 1 13 13 ILE HD12 H 1 0.467 0.011 . 1 . . 2924 . . 13 ILE HD12 . 27503 1 103 . 1 1 13 13 ILE HD13 H 1 0.467 0.011 . 1 . . 2924 . . 13 ILE HD13 . 27503 1 104 . 1 1 13 13 ILE C C 13 173.667 0.012 . 1 . . 708 . . 13 ILE C . 27503 1 105 . 1 1 13 13 ILE CA C 13 56.837 0.064 . 1 . . 565 . . 13 ILE CA . 27503 1 106 . 1 1 13 13 ILE CB C 13 40.264 0.029 . 1 . . 561 . . 13 ILE CB . 27503 1 107 . 1 1 13 13 ILE CD1 C 13 15.367 0.016 . 1 . . 1005 . . 13 ILE CD1 . 27503 1 108 . 1 1 13 13 ILE N N 15 118.092 0.023 . 1 . . 337 . . 13 ILE N . 27503 1 109 . 1 1 14 14 SER H H 1 8.830 0.007 . 1 . . 328 . . 14 SER H . 27503 1 110 . 1 1 14 14 SER HA H 1 5.600 0.01 . 1 . . 3168 . . 14 SER HA . 27503 1 111 . 1 1 14 14 SER HB2 H 1 3.696 0.005 . 2 . . 2920 . . 14 SER HB2 . 27503 1 112 . 1 1 14 14 SER HB3 H 1 3.487 0.003 . 2 . . 2921 . . 14 SER HB3 . 27503 1 113 . 1 1 14 14 SER C C 13 174.694 0.021 . 1 . . 732 . . 14 SER C . 27503 1 114 . 1 1 14 14 SER CA C 13 53.128 0.098 . 1 . . 733 . . 14 SER CA . 27503 1 115 . 1 1 14 14 SER CB C 13 61.354 0.045 . 1 . . 557 . . 14 SER CB . 27503 1 116 . 1 1 14 14 SER N N 15 117.317 0.025 . 1 . . 329 . . 14 SER N . 27503 1 117 . 1 1 15 15 VAL H H 1 8.630 0.007 . 1 . . 7 . . 15 VAL H . 27503 1 118 . 1 1 15 15 VAL HA H 1 4.504 0.003 . 1 . . 3071 . . 15 VAL HA . 27503 1 119 . 1 1 15 15 VAL HB H 1 2.098 0.006 . 1 . . 3208 . . 15 VAL HB . 27503 1 120 . 1 1 15 15 VAL C C 13 175.145 . . 1 . . 578 . . 15 VAL C . 27503 1 121 . 1 1 15 15 VAL CA C 13 59.129 0.025 . 1 . . 579 . . 15 VAL CA . 27503 1 122 . 1 1 15 15 VAL CB C 13 32.226 0.002 . 1 . . 580 . . 15 VAL CB . 27503 1 123 . 1 1 15 15 VAL N N 15 123.582 0.015 . 1 . . 8 . . 15 VAL N . 27503 1 124 . 1 1 16 16 ASP HA H 1 4.535 0.004 . 1 . . 3210 . . 16 ASP HA . 27503 1 125 . 1 1 16 16 ASP HB2 H 1 2.863 0.001 . 1 . . 3211 . . 16 ASP HB2 . 27503 1 126 . 1 1 16 16 ASP C C 13 175.043 . . 1 . . 994 . . 16 ASP C . 27503 1 127 . 1 1 16 16 ASP CA C 13 53.420 0.051 . 1 . . 993 . . 16 ASP CA . 27503 1 128 . 1 1 16 16 ASP CB C 13 36.479 0.01 . 1 . . 992 . . 16 ASP CB . 27503 1 129 . 1 1 17 17 ASN H H 1 8.879 0.013 . 1 . . 570 . . 17 ASN H . 27503 1 130 . 1 1 17 17 ASN HA H 1 4.284 0.012 . 1 . . 2917 . . 17 ASN HA . 27503 1 131 . 1 1 17 17 ASN HB2 H 1 2.899 0.01 . 2 . . 2918 . . 17 ASN HB2 . 27503 1 132 . 1 1 17 17 ASN HB3 H 1 3.112 0.006 . 2 . . 2919 . . 17 ASN HB3 . 27503 1 133 . 1 1 17 17 ASN C C 13 173.493 0.026 . 1 . . 832 . . 17 ASN C . 27503 1 134 . 1 1 17 17 ASN CA C 13 51.852 0.037 . 1 . . 723 . . 17 ASN CA . 27503 1 135 . 1 1 17 17 ASN CB C 13 34.875 0.051 . 1 . . 833 . . 17 ASN CB . 27503 1 136 . 1 1 17 17 ASN N N 15 110.901 0.088 . 1 . . 571 . . 17 ASN N . 27503 1 137 . 1 1 18 18 ALA H H 1 7.866 0.012 . 1 . . 130 . . 18 ALA H . 27503 1 138 . 1 1 18 18 ALA HA H 1 4.479 0.007 . 1 . . 2915 . . 18 ALA HA . 27503 1 139 . 1 1 18 18 ALA HB1 H 1 1.121 0.015 . 1 . . 2916 . . 18 ALA HB1 . 27503 1 140 . 1 1 18 18 ALA HB2 H 1 1.121 0.015 . 1 . . 2916 . . 18 ALA HB2 . 27503 1 141 . 1 1 18 18 ALA HB3 H 1 1.121 0.015 . 1 . . 2916 . . 18 ALA HB3 . 27503 1 142 . 1 1 18 18 ALA C C 13 174.626 0.005 . 1 . . 633 . . 18 ALA C . 27503 1 143 . 1 1 18 18 ALA CA C 13 48.241 0.092 . 1 . . 432 . . 18 ALA CA . 27503 1 144 . 1 1 18 18 ALA CB C 13 19.673 0.042 . 1 . . 845 . . 18 ALA CB . 27503 1 145 . 1 1 18 18 ALA N N 15 121.576 0.016 . 1 . . 131 . . 18 ALA N . 27503 1 146 . 1 1 19 19 ILE H H 1 7.541 0.004 . 1 . . 150 . . 19 ILE H . 27503 1 147 . 1 1 19 19 ILE HA H 1 5.088 0.016 . 1 . . 2914 . . 19 ILE HA . 27503 1 148 . 1 1 19 19 ILE HB H 1 1.770 0.008 . 1 . . 3209 . . 19 ILE HB . 27503 1 149 . 1 1 19 19 ILE HD11 H 1 0.716 0.004 . 1 . . 3069 . . 19 ILE HD11 . 27503 1 150 . 1 1 19 19 ILE HD12 H 1 0.716 0.004 . 1 . . 3069 . . 19 ILE HD12 . 27503 1 151 . 1 1 19 19 ILE HD13 H 1 0.716 0.004 . 1 . . 3069 . . 19 ILE HD13 . 27503 1 152 . 1 1 19 19 ILE C C 13 175.371 0.031 . 1 . . 966 . . 19 ILE C . 27503 1 153 . 1 1 19 19 ILE CA C 13 56.697 0.036 . 1 . . 444 . . 19 ILE CA . 27503 1 154 . 1 1 19 19 ILE CB C 13 37.348 0.044 . 1 . . 443 . . 19 ILE CB . 27503 1 155 . 1 1 19 19 ILE CD1 C 13 15.434 0.008 . 1 . . 1019 . . 19 ILE CD1 . 27503 1 156 . 1 1 19 19 ILE N N 15 114.003 0.008 . 1 . . 151 . . 19 ILE N . 27503 1 157 . 1 1 20 20 TRP H H 1 8.956 0.006 . 1 . . 313 . . 20 TRP H . 27503 1 158 . 1 1 20 20 TRP HA H 1 5.539 0.014 . 1 . . 2913 . . 20 TRP HA . 27503 1 159 . 1 1 20 20 TRP HB2 H 1 2.606 0.002 . 1 . . 3206 . . 20 TRP HB2 . 27503 1 160 . 1 1 20 20 TRP HD1 H 1 7.107 0.008 . 1 . . 3070 . . 20 TRP HD1 . 27503 1 161 . 1 1 20 20 TRP HE1 H 1 10.150 0.009 . 1 . . 158 . . 20 TRP HE1 . 27503 1 162 . 1 1 20 20 TRP C C 13 175.027 0.019 . 1 . . 700 . . 20 TRP C . 27503 1 163 . 1 1 20 20 TRP CA C 13 52.317 0.045 . 1 . . 542 . . 20 TRP CA . 27503 1 164 . 1 1 20 20 TRP CB C 13 31.937 0.04 . 1 . . 541 . . 20 TRP CB . 27503 1 165 . 1 1 20 20 TRP N N 15 122.578 0.125 . 1 . . 314 . . 20 TRP N . 27503 1 166 . 1 1 20 20 TRP NE1 N 15 131.254 0.039 . 1 . . 159 . . 20 TRP NE1 . 27503 1 167 . 1 1 21 21 LYS H H 1 9.274 0.006 . 1 . . 11 . . 21 LYS H . 27503 1 168 . 1 1 21 21 LYS HA H 1 5.224 0.015 . 1 . . 2912 . . 21 LYS HA . 27503 1 169 . 1 1 21 21 LYS HB2 H 1 1.563 0.002 . 2 . . 3067 . . 21 LYS HB2 . 27503 1 170 . 1 1 21 21 LYS HB3 H 1 1.676 0.003 . 2 . . 3068 . . 21 LYS HB3 . 27503 1 171 . 1 1 21 21 LYS C C 13 176.368 0.019 . 1 . . 1018 . . 21 LYS C . 27503 1 172 . 1 1 21 21 LYS CA C 13 51.343 0.027 . 1 . . 354 . . 21 LYS CA . 27503 1 173 . 1 1 21 21 LYS CB C 13 34.184 0.078 . 1 . . 355 . . 21 LYS CB . 27503 1 174 . 1 1 21 21 LYS CD C 13 31.052 . . 1 . . 1020 . . 21 LYS CD . 27503 1 175 . 1 1 21 21 LYS N N 15 120.971 0.026 . 1 . . 12 . . 21 LYS N . 27503 1 176 . 1 1 22 22 VAL H H 1 8.916 0.006 . 1 . . 138 . . 22 VAL H . 27503 1 177 . 1 1 22 22 VAL HA H 1 3.993 0.027 . 1 . . 2911 . . 22 VAL HA . 27503 1 178 . 1 1 22 22 VAL HB H 1 2.163 0.004 . 1 . . 3065 . . 22 VAL HB . 27503 1 179 . 1 1 22 22 VAL HG11 H 1 0.701 0.005 . 2 . . 3062 . . 22 VAL HG11 . 27503 1 180 . 1 1 22 22 VAL HG12 H 1 0.701 0.005 . 2 . . 3062 . . 22 VAL HG12 . 27503 1 181 . 1 1 22 22 VAL HG13 H 1 0.701 0.005 . 2 . . 3062 . . 22 VAL HG13 . 27503 1 182 . 1 1 22 22 VAL HG21 H 1 0.331 0.006 . 2 . . 3066 . . 22 VAL HG21 . 27503 1 183 . 1 1 22 22 VAL HG22 H 1 0.331 0.006 . 2 . . 3066 . . 22 VAL HG22 . 27503 1 184 . 1 1 22 22 VAL HG23 H 1 0.331 0.006 . 2 . . 3066 . . 22 VAL HG23 . 27503 1 185 . 1 1 22 22 VAL C C 13 176.058 0.0 . 1 . . 765 . . 22 VAL C . 27503 1 186 . 1 1 22 22 VAL CA C 13 61.103 0.034 . 1 . . 766 . . 22 VAL CA . 27503 1 187 . 1 1 22 22 VAL CB C 13 28.994 0.028 . 1 . . 764 . . 22 VAL CB . 27503 1 188 . 1 1 22 22 VAL CG1 C 13 19.490 0.039 . 2 . . 1024 . . 22 VAL CG1 . 27503 1 189 . 1 1 22 22 VAL CG2 C 13 18.129 0.027 . 2 . . 1023 . . 22 VAL CG2 . 27503 1 190 . 1 1 22 22 VAL N N 15 125.901 0.028 . 1 . . 139 . . 22 VAL N . 27503 1 191 . 1 1 23 23 ILE H H 1 9.090 0.008 . 1 . . 49 . . 23 ILE H . 27503 1 192 . 1 1 23 23 ILE HA H 1 4.391 0.011 . 1 . . 2909 . . 23 ILE HA . 27503 1 193 . 1 1 23 23 ILE HB H 1 1.916 0.005 . 1 . . 2910 . . 23 ILE HB . 27503 1 194 . 1 1 23 23 ILE HG12 H 1 1.365 0.01 . 2 . . 3063 . . 23 ILE HG12 . 27503 1 195 . 1 1 23 23 ILE HG13 H 1 1.258 0.003 . 2 . . 3064 . . 23 ILE HG13 . 27503 1 196 . 1 1 23 23 ILE HG21 H 1 0.722 0.01 . 1 . . 3024 . . 23 ILE HG21 . 27503 1 197 . 1 1 23 23 ILE HG22 H 1 0.722 0.01 . 1 . . 3024 . . 23 ILE HG22 . 27503 1 198 . 1 1 23 23 ILE HG23 H 1 0.722 0.01 . 1 . . 3024 . . 23 ILE HG23 . 27503 1 199 . 1 1 23 23 ILE C C 13 175.762 0.014 . 1 . . 815 . . 23 ILE C . 27503 1 200 . 1 1 23 23 ILE CA C 13 59.242 0.084 . 1 . . 817 . . 23 ILE CA . 27503 1 201 . 1 1 23 23 ILE CB C 13 35.435 0.037 . 1 . . 816 . . 23 ILE CB . 27503 1 202 . 1 1 23 23 ILE CG1 C 13 24.474 0.006 . 1 . . 1022 . . 23 ILE CG1 . 27503 1 203 . 1 1 23 23 ILE CG2 C 13 15.119 0.006 . 1 . . 1021 . . 23 ILE CG2 . 27503 1 204 . 1 1 23 23 ILE N N 15 128.940 0.065 . 1 . . 50 . . 23 ILE N . 27503 1 205 . 1 1 24 24 ASP H H 1 7.997 0.008 . 1 . . 105 . . 24 ASP H . 27503 1 206 . 1 1 24 24 ASP HA H 1 4.779 0.015 . 1 . . 2907 . . 24 ASP HA . 27503 1 207 . 1 1 24 24 ASP HB2 H 1 2.795 0.003 . 1 . . 2908 . . 24 ASP HB2 . 27503 1 208 . 1 1 24 24 ASP C C 13 174.036 0.006 . 1 . . 624 . . 24 ASP C . 27503 1 209 . 1 1 24 24 ASP CA C 13 50.925 0.063 . 1 . . 414 . . 24 ASP CA . 27503 1 210 . 1 1 24 24 ASP CB C 13 41.503 0.026 . 1 . . 415 . . 24 ASP CB . 27503 1 211 . 1 1 24 24 ASP N N 15 116.684 0.023 . 1 . . 106 . . 24 ASP N . 27503 1 212 . 1 1 25 25 PHE H H 1 8.152 0.01 . 1 . . 59 . . 25 PHE H . 27503 1 213 . 1 1 25 25 PHE HA H 1 5.449 0.01 . 1 . . 2906 . . 25 PHE HA . 27503 1 214 . 1 1 25 25 PHE HB2 H 1 3.182 0.003 . 2 . . 2729 . . 25 PHE HB2 . 27503 1 215 . 1 1 25 25 PHE HB3 H 1 2.708 0.005 . 2 . . 3203 . . 25 PHE HB3 . 27503 1 216 . 1 1 25 25 PHE C C 13 172.465 0.005 . 1 . . 591 . . 25 PHE C . 27503 1 217 . 1 1 25 25 PHE CA C 13 54.595 0.021 . 1 . . 379 . . 25 PHE CA . 27503 1 218 . 1 1 25 25 PHE CB C 13 37.613 0.037 . 1 . . 380 . . 25 PHE CB . 27503 1 219 . 1 1 25 25 PHE N N 15 117.080 0.112 . 1 . . 60 . . 25 PHE N . 27503 1 220 . 1 1 26 26 GLN H H 1 8.717 0.007 . 1 . . 323 . . 26 GLN H . 27503 1 221 . 1 1 26 26 GLN HA H 1 5.206 0.012 . 1 . . 2903 . . 26 GLN HA . 27503 1 222 . 1 1 26 26 GLN HB2 H 1 1.855 0.014 . 1 . . 2905 . . 26 GLN HB2 . 27503 1 223 . 1 1 26 26 GLN C C 13 174.140 0.015 . 1 . . 705 . . 26 GLN C . 27503 1 224 . 1 1 26 26 GLN CA C 13 52.210 0.027 . 1 . . 550 . . 26 GLN CA . 27503 1 225 . 1 1 26 26 GLN CB C 13 29.713 0.007 . 1 . . 549 . . 26 GLN CB . 27503 1 226 . 1 1 26 26 GLN N N 15 118.170 0.035 . 1 . . 324 . . 26 GLN N . 27503 1 227 . 1 1 27 27 HIS H H 1 8.921 0.004 . 1 . . 636 . . 27 HIS H . 27503 1 228 . 1 1 27 27 HIS HA H 1 4.816 0.014 . 1 . . 2901 . . 27 HIS HA . 27503 1 229 . 1 1 27 27 HIS HB2 H 1 2.964 0.006 . 1 . . 2902 . . 27 HIS HB2 . 27503 1 230 . 1 1 27 27 HIS C C 13 175.144 0.018 . 1 . . 639 . . 27 HIS C . 27503 1 231 . 1 1 27 27 HIS CA C 13 54.037 0.087 . 1 . . 640 . . 27 HIS CA . 27503 1 232 . 1 1 27 27 HIS CB C 13 28.961 0.049 . 1 . . 824 . . 27 HIS CB . 27503 1 233 . 1 1 27 27 HIS N N 15 125.877 0.049 . 1 . . 637 . . 27 HIS N . 27503 1 234 . 1 1 28 28 VAL H H 1 8.838 0.01 . 1 . . 122 . . 28 VAL H . 27503 1 235 . 1 1 28 28 VAL HA H 1 3.943 0.015 . 1 . . 3060 . . 28 VAL HA . 27503 1 236 . 1 1 28 28 VAL HB H 1 2.081 0.001 . 1 . . 3204 . . 28 VAL HB . 27503 1 237 . 1 1 28 28 VAL HG11 H 1 0.581 0.014 . 1 . . 3061 . . 28 VAL HG11 . 27503 1 238 . 1 1 28 28 VAL HG12 H 1 0.581 0.014 . 1 . . 3061 . . 28 VAL HG12 . 27503 1 239 . 1 1 28 28 VAL HG13 H 1 0.581 0.014 . 1 . . 3061 . . 28 VAL HG13 . 27503 1 240 . 1 1 28 28 VAL C C 13 173.963 0.002 . 1 . . 631 . . 28 VAL C . 27503 1 241 . 1 1 28 28 VAL CA C 13 59.344 0.04 . 1 . . 427 . . 28 VAL CA . 27503 1 242 . 1 1 28 28 VAL CB C 13 30.238 0.094 . 1 . . 426 . . 28 VAL CB . 27503 1 243 . 1 1 28 28 VAL CG1 C 13 18.199 0.002 . 1 . . 2614 . . 28 VAL CG1 . 27503 1 244 . 1 1 28 28 VAL N N 15 127.299 0.051 . 1 . . 123 . . 28 VAL N . 27503 1 245 . 1 1 29 29 LYS H H 1 8.448 0.015 . 1 . . 2519 . . 29 LYS H . 27503 1 246 . 1 1 29 29 LYS C C 13 173.861 . . 1 . . 2613 . . 29 LYS C . 27503 1 247 . 1 1 29 29 LYS CA C 13 50.304 . . 1 . . 2521 . . 29 LYS CA . 27503 1 248 . 1 1 29 29 LYS N N 15 126.584 0.072 . 1 . . 2520 . . 29 LYS N . 27503 1 249 . 1 1 34 34 SER HB2 H 1 3.855 0.007 . 1 . . 2900 . . 34 SER HB2 . 27503 1 250 . 1 1 34 34 SER C C 13 173.744 . . 1 . . 943 . . 34 SER C . 27503 1 251 . 1 1 34 34 SER CA C 13 55.898 0.01 . 1 . . 944 . . 34 SER CA . 27503 1 252 . 1 1 34 34 SER CB C 13 61.805 0.04 . 1 . . 945 . . 34 SER CB . 27503 1 253 . 1 1 35 35 ALA H H 1 8.327 0.007 . 1 . . 276 . . 35 ALA H . 27503 1 254 . 1 1 35 35 ALA HA H 1 4.714 0.013 . 1 . . 2898 . . 35 ALA HA . 27503 1 255 . 1 1 35 35 ALA HB1 H 1 1.440 0.027 . 1 . . 2899 . . 35 ALA HB1 . 27503 1 256 . 1 1 35 35 ALA HB2 H 1 1.440 0.027 . 1 . . 2899 . . 35 ALA HB2 . 27503 1 257 . 1 1 35 35 ALA HB3 H 1 1.440 0.027 . 1 . . 2899 . . 35 ALA HB3 . 27503 1 258 . 1 1 35 35 ALA C C 13 176.879 0.013 . 1 . . 690 . . 35 ALA C . 27503 1 259 . 1 1 35 35 ALA CA C 13 49.662 0.029 . 1 . . 522 . . 35 ALA CA . 27503 1 260 . 1 1 35 35 ALA CB C 13 17.647 0.036 . 1 . . 521 . . 35 ALA CB . 27503 1 261 . 1 1 35 35 ALA N N 15 124.290 0.063 . 1 . . 277 . . 35 ALA N . 27503 1 262 . 1 1 36 36 PHE H H 1 8.633 0.004 . 1 . . 132 . . 36 PHE H . 27503 1 263 . 1 1 36 36 PHE HA H 1 5.175 0.006 . 1 . . 2896 . . 36 PHE HA . 27503 1 264 . 1 1 36 36 PHE HB2 H 1 3.020 0.014 . 1 . . 2897 . . 36 PHE HB2 . 27503 1 265 . 1 1 36 36 PHE HD1 H 1 7.065 0.01 . 1 . . 3059 . . 36 PHE HD1 . 27503 1 266 . 1 1 36 36 PHE HD2 H 1 7.065 0.01 . 1 . . 3059 . . 36 PHE HD2 . 27503 1 267 . 1 1 36 36 PHE C C 13 173.028 0.024 . 1 . . 634 . . 36 PHE C . 27503 1 268 . 1 1 36 36 PHE CA C 13 53.486 0.035 . 1 . . 434 . . 36 PHE CA . 27503 1 269 . 1 1 36 36 PHE CB C 13 38.881 0.042 . 1 . . 433 . . 36 PHE CB . 27503 1 270 . 1 1 36 36 PHE N N 15 116.240 0.041 . 1 . . 133 . . 36 PHE N . 27503 1 271 . 1 1 37 37 VAL H H 1 9.300 0.01 . 1 . . 112 . . 37 VAL H . 27503 1 272 . 1 1 37 37 VAL HA H 1 4.833 0.01 . 1 . . 2895 . . 37 VAL HA . 27503 1 273 . 1 1 37 37 VAL HB H 1 1.668 0.004 . 1 . . 3201 . . 37 VAL HB . 27503 1 274 . 1 1 37 37 VAL HG11 H 1 0.569 0.013 . 1 . . 3058 . . 37 VAL HG11 . 27503 1 275 . 1 1 37 37 VAL HG12 H 1 0.569 0.013 . 1 . . 3058 . . 37 VAL HG12 . 27503 1 276 . 1 1 37 37 VAL HG13 H 1 0.569 0.013 . 1 . . 3058 . . 37 VAL HG13 . 27503 1 277 . 1 1 37 37 VAL C C 13 175.238 0.015 . 1 . . 627 . . 37 VAL C . 27503 1 278 . 1 1 37 37 VAL CA C 13 58.176 0.036 . 1 . . 421 . . 37 VAL CA . 27503 1 279 . 1 1 37 37 VAL CB C 13 32.237 0.025 . 1 . . 420 . . 37 VAL CB . 27503 1 280 . 1 1 37 37 VAL CG1 C 13 18.713 0.011 . 1 . . 1027 . . 37 VAL CG1 . 27503 1 281 . 1 1 37 37 VAL N N 15 120.166 0.051 . 1 . . 113 . . 37 VAL N . 27503 1 282 . 1 1 38 38 ARG H H 1 8.880 0.005 . 1 . . 317 . . 38 ARG H . 27503 1 283 . 1 1 38 38 ARG HA H 1 4.906 0.017 . 1 . . 2893 . . 38 ARG HA . 27503 1 284 . 1 1 38 38 ARG HB2 H 1 1.897 0.011 . 2 . . 2894 . . 38 ARG HB2 . 27503 1 285 . 1 1 38 38 ARG HB3 H 1 1.694 0.005 . 2 . . 3057 . . 38 ARG HB3 . 27503 1 286 . 1 1 38 38 ARG C C 13 175.483 0.035 . 1 . . 702 . . 38 ARG C . 27503 1 287 . 1 1 38 38 ARG CA C 13 52.659 0.04 . 1 . . 544 . . 38 ARG CA . 27503 1 288 . 1 1 38 38 ARG CB C 13 29.460 0.027 . 1 . . 543 . . 38 ARG CB . 27503 1 289 . 1 1 38 38 ARG CG C 13 24.704 . . 1 . . 1026 . . 38 ARG CG . 27503 1 290 . 1 1 38 38 ARG CD C 13 41.005 . . 1 . . 1025 . . 38 ARG CD . 27503 1 291 . 1 1 38 38 ARG N N 15 127.934 0.026 . 1 . . 318 . . 38 ARG N . 27503 1 292 . 1 1 39 39 SER H H 1 8.985 0.012 . 1 . . 71 . . 39 SER H . 27503 1 293 . 1 1 39 39 SER HA H 1 5.385 0.008 . 1 . . 3056 . . 39 SER HA . 27503 1 294 . 1 1 39 39 SER HB2 H 1 3.920 0.021 . 1 . . 2892 . . 39 SER HB2 . 27503 1 295 . 1 1 39 39 SER C C 13 172.218 0.007 . 1 . . 602 . . 39 SER C . 27503 1 296 . 1 1 39 39 SER CA C 13 54.905 0.044 . 1 . . 388 . . 39 SER CA . 27503 1 297 . 1 1 39 39 SER CB C 13 65.701 0.032 . 1 . . 387 . . 39 SER CB . 27503 1 298 . 1 1 39 39 SER N N 15 120.529 0.027 . 1 . . 72 . . 39 SER N . 27503 1 299 . 1 1 40 40 LYS H H 1 8.599 0.008 . 1 . . 584 . . 40 LYS H . 27503 1 300 . 1 1 40 40 LYS HA H 1 4.746 0.017 . 1 . . 2890 . . 40 LYS HA . 27503 1 301 . 1 1 40 40 LYS HB2 H 1 1.594 0.005 . 1 . . 2891 . . 40 LYS HB2 . 27503 1 302 . 1 1 40 40 LYS C C 13 174.290 0.017 . 1 . . 1029 . . 40 LYS C . 27503 1 303 . 1 1 40 40 LYS CA C 13 53.410 0.059 . 1 . . 783 . . 40 LYS CA . 27503 1 304 . 1 1 40 40 LYS CB C 13 31.862 0.076 . 1 . . 784 . . 40 LYS CB . 27503 1 305 . 1 1 40 40 LYS CG C 13 22.901 . . 1 . . 1028 . . 40 LYS CG . 27503 1 306 . 1 1 40 40 LYS N N 15 123.935 0.027 . 1 . . 585 . . 40 LYS N . 27503 1 307 . 1 1 41 41 LEU H H 1 9.013 0.007 . 1 . . 75 . . 41 LEU H . 27503 1 308 . 1 1 41 41 LEU HA H 1 5.328 0.003 . 1 . . 2889 . . 41 LEU HA . 27503 1 309 . 1 1 41 41 LEU HB2 H 1 1.585 0.004 . 1 . . 3055 . . 41 LEU HB2 . 27503 1 310 . 1 1 41 41 LEU HD11 H 1 0.791 0.024 . 1 . . 3054 . . 41 LEU HD11 . 27503 1 311 . 1 1 41 41 LEU HD12 H 1 0.791 0.024 . 1 . . 3054 . . 41 LEU HD12 . 27503 1 312 . 1 1 41 41 LEU HD13 H 1 0.791 0.024 . 1 . . 3054 . . 41 LEU HD13 . 27503 1 313 . 1 1 41 41 LEU C C 13 175.104 0.014 . 1 . . 879 . . 41 LEU C . 27503 1 314 . 1 1 41 41 LEU CA C 13 50.233 0.043 . 1 . . 878 . . 41 LEU CA . 27503 1 315 . 1 1 41 41 LEU CB C 13 43.839 0.019 . 1 . . 389 . . 41 LEU CB . 27503 1 316 . 1 1 41 41 LEU N N 15 125.301 0.042 . 1 . . 76 . . 41 LEU N . 27503 1 317 . 1 1 42 42 ARG H H 1 9.348 0.009 . 1 . . 203 . . 42 ARG H . 27503 1 318 . 1 1 42 42 ARG HA H 1 5.347 0.014 . 1 . . 2887 . . 42 ARG HA . 27503 1 319 . 1 1 42 42 ARG HB2 H 1 1.809 0.013 . 1 . . 2888 . . 42 ARG HB2 . 27503 1 320 . 1 1 42 42 ARG C C 13 175.980 0.016 . 1 . . 663 . . 42 ARG C . 27503 1 321 . 1 1 42 42 ARG CA C 13 51.334 0.056 . 1 . . 477 . . 42 ARG CA . 27503 1 322 . 1 1 42 42 ARG CB C 13 30.850 0.003 . 1 . . 476 . . 42 ARG CB . 27503 1 323 . 1 1 42 42 ARG CG C 13 24.752 . . 1 . . 1032 . . 42 ARG CG . 27503 1 324 . 1 1 42 42 ARG N N 15 121.250 0.034 . 1 . . 204 . . 42 ARG N . 27503 1 325 . 1 1 43 43 ASN H H 1 9.726 0.007 . 1 . . 229 . . 43 ASN H . 27503 1 326 . 1 1 43 43 ASN HA H 1 3.925 0.016 . 1 . . 2886 . . 43 ASN HA . 27503 1 327 . 1 1 43 43 ASN HB2 H 1 2.905 0.006 . 1 . . 3052 . . 43 ASN HB2 . 27503 1 328 . 1 1 43 43 ASN C C 13 177.300 0.009 . 1 . . 1033 . . 43 ASN C . 27503 1 329 . 1 1 43 43 ASN CA C 13 51.194 0.09 . 1 . . 722 . . 43 ASN CA . 27503 1 330 . 1 1 43 43 ASN CB C 13 36.186 0.037 . 1 . . 493 . . 43 ASN CB . 27503 1 331 . 1 1 43 43 ASN N N 15 129.848 0.036 . 1 . . 230 . . 43 ASN N . 27503 1 332 . 1 1 44 44 LEU H H 1 8.364 0.011 . 1 . . 319 . . 44 LEU H . 27503 1 333 . 1 1 44 44 LEU HA H 1 3.995 0.021 . 1 . . 2884 . . 44 LEU HA . 27503 1 334 . 1 1 44 44 LEU HB2 H 1 1.475 0.017 . 1 . . 2885 . . 44 LEU HB2 . 27503 1 335 . 1 1 44 44 LEU HD11 H 1 0.787 0.011 . 1 . . 3053 . . 44 LEU HD11 . 27503 1 336 . 1 1 44 44 LEU HD12 H 1 0.787 0.011 . 1 . . 3053 . . 44 LEU HD12 . 27503 1 337 . 1 1 44 44 LEU HD13 H 1 0.787 0.011 . 1 . . 3053 . . 44 LEU HD13 . 27503 1 338 . 1 1 44 44 LEU C C 13 177.226 0.017 . 1 . . 703 . . 44 LEU C . 27503 1 339 . 1 1 44 44 LEU CA C 13 54.402 0.029 . 1 . . 545 . . 44 LEU CA . 27503 1 340 . 1 1 44 44 LEU CB C 13 38.873 0.017 . 1 . . 546 . . 44 LEU CB . 27503 1 341 . 1 1 44 44 LEU N N 15 127.941 0.033 . 1 . . 320 . . 44 LEU N . 27503 1 342 . 1 1 45 45 ARG H H 1 8.207 0.006 . 1 . . 136 . . 45 ARG H . 27503 1 343 . 1 1 45 45 ARG HA H 1 4.455 0.02 . 1 . . 2882 . . 45 ARG HA . 27503 1 344 . 1 1 45 45 ARG HB2 H 1 1.798 0.01 . 1 . . 2883 . . 45 ARG HB2 . 27503 1 345 . 1 1 45 45 ARG C C 13 178.002 0.002 . 1 . . 635 . . 45 ARG C . 27503 1 346 . 1 1 45 45 ARG CA C 13 55.577 0.065 . 1 . . 438 . . 45 ARG CA . 27503 1 347 . 1 1 45 45 ARG CB C 13 28.339 0.032 . 1 . . 437 . . 45 ARG CB . 27503 1 348 . 1 1 45 45 ARG N N 15 114.272 0.061 . 1 . . 137 . . 45 ARG N . 27503 1 349 . 1 1 46 46 THR H H 1 7.297 0.015 . 1 . . 184 . . 46 THR H . 27503 1 350 . 1 1 46 46 THR HA H 1 4.438 0.013 . 1 . . 3050 . . 46 THR HA . 27503 1 351 . 1 1 46 46 THR HB H 1 4.393 0.004 . 1 . . 2881 . . 46 THR HB . 27503 1 352 . 1 1 46 46 THR HG21 H 1 1.063 0.009 . 1 . . 3051 . . 46 THR HG21 . 27503 1 353 . 1 1 46 46 THR HG22 H 1 1.063 0.009 . 1 . . 3051 . . 46 THR HG22 . 27503 1 354 . 1 1 46 46 THR HG23 H 1 1.063 0.009 . 1 . . 3051 . . 46 THR HG23 . 27503 1 355 . 1 1 46 46 THR C C 13 176.459 0.002 . 1 . . 653 . . 46 THR C . 27503 1 356 . 1 1 46 46 THR CA C 13 58.777 0.04 . 1 . . 465 . . 46 THR CA . 27503 1 357 . 1 1 46 46 THR CB C 13 68.295 0.041 . 1 . . 466 . . 46 THR CB . 27503 1 358 . 1 1 46 46 THR CG2 C 13 18.486 0.004 . 1 . . 1031 . . 46 THR CG2 . 27503 1 359 . 1 1 46 46 THR N N 15 105.590 0.037 . 1 . . 185 . . 46 THR N . 27503 1 360 . 1 1 47 47 GLY H H 1 8.317 0.007 . 1 . . 221 . . 47 GLY H . 27503 1 361 . 1 1 47 47 GLY HA2 H 1 4.267 0.01 . 2 . . 2879 . . 47 GLY HA2 . 27503 1 362 . 1 1 47 47 GLY HA3 H 1 3.636 0.014 . 2 . . 2880 . . 47 GLY HA3 . 27503 1 363 . 1 1 47 47 GLY C C 13 173.205 0.001 . 1 . . 670 . . 47 GLY C . 27503 1 364 . 1 1 47 47 GLY CA C 13 42.878 0.056 . 1 . . 489 . . 47 GLY CA . 27503 1 365 . 1 1 47 47 GLY N N 15 111.564 0.042 . 1 . . 222 . . 47 GLY N . 27503 1 366 . 1 1 48 48 ALA H H 1 7.522 0.004 . 1 . . 89 . . 48 ALA H . 27503 1 367 . 1 1 48 48 ALA HA H 1 4.265 0.004 . 1 . . 2877 . . 48 ALA HA . 27503 1 368 . 1 1 48 48 ALA HB1 H 1 1.400 0.006 . 1 . . 2878 . . 48 ALA HB1 . 27503 1 369 . 1 1 48 48 ALA HB2 H 1 1.400 0.006 . 1 . . 2878 . . 48 ALA HB2 . 27503 1 370 . 1 1 48 48 ALA HB3 H 1 1.400 0.006 . 1 . . 2878 . . 48 ALA HB3 . 27503 1 371 . 1 1 48 48 ALA C C 13 176.343 0.007 . 1 . . 616 . . 48 ALA C . 27503 1 372 . 1 1 48 48 ALA CA C 13 50.210 0.011 . 1 . . 401 . . 48 ALA CA . 27503 1 373 . 1 1 48 48 ALA CB C 13 17.259 0.059 . 1 . . 402 . . 48 ALA CB . 27503 1 374 . 1 1 48 48 ALA N N 15 122.776 0.034 . 1 . . 90 . . 48 ALA N . 27503 1 375 . 1 1 49 49 ILE H H 1 8.424 0.004 . 1 . . 325 . . 49 ILE H . 27503 1 376 . 1 1 49 49 ILE HA H 1 5.410 0.005 . 1 . . 2875 . . 49 ILE HA . 27503 1 377 . 1 1 49 49 ILE HB H 1 1.797 0.017 . 1 . . 2876 . . 49 ILE HB . 27503 1 378 . 1 1 49 49 ILE HD11 H 1 0.836 0.01 . 1 . . 2824 . . 49 ILE HD11 . 27503 1 379 . 1 1 49 49 ILE HD12 H 1 0.836 0.01 . 1 . . 2824 . . 49 ILE HD12 . 27503 1 380 . 1 1 49 49 ILE HD13 H 1 0.836 0.01 . 1 . . 2824 . . 49 ILE HD13 . 27503 1 381 . 1 1 49 49 ILE C C 13 177.001 0.014 . 1 . . 659 . . 49 ILE C . 27503 1 382 . 1 1 49 49 ILE CA C 13 56.496 0.037 . 1 . . 555 . . 49 ILE CA . 27503 1 383 . 1 1 49 49 ILE CB C 13 36.354 0.037 . 1 . . 556 . . 49 ILE CB . 27503 1 384 . 1 1 49 49 ILE CD1 C 13 15.039 0.019 . 1 . . 1030 . . 49 ILE CD1 . 27503 1 385 . 1 1 49 49 ILE N N 15 121.021 0.025 . 1 . . 326 . . 49 ILE N . 27503 1 386 . 1 1 50 50 GLN H H 1 9.286 0.011 . 1 . . 93 . . 50 GLN H . 27503 1 387 . 1 1 50 50 GLN HA H 1 4.767 0.013 . 1 . . 2873 . . 50 GLN HA . 27503 1 388 . 1 1 50 50 GLN HB2 H 1 1.860 0.002 . 1 . . 2874 . . 50 GLN HB2 . 27503 1 389 . 1 1 50 50 GLN C C 13 173.863 0.016 . 1 . . 618 . . 50 GLN C . 27503 1 390 . 1 1 50 50 GLN CA C 13 51.515 0.049 . 1 . . 404 . . 50 GLN CA . 27503 1 391 . 1 1 50 50 GLN CB C 13 31.098 0.151 . 1 . . 403 . . 50 GLN CB . 27503 1 392 . 1 1 50 50 GLN N N 15 126.367 0.082 . 1 . . 94 . . 50 GLN N . 27503 1 393 . 1 1 51 51 GLU H H 1 8.603 0.012 . 1 . . 43 . . 51 GLU H . 27503 1 394 . 1 1 51 51 GLU HA H 1 5.184 0.014 . 1 . . 2870 . . 51 GLU HA . 27503 1 395 . 1 1 51 51 GLU HB2 H 1 1.892 0.002 . 2 . . 2872 . . 51 GLU HB2 . 27503 1 396 . 1 1 51 51 GLU HB3 H 1 1.735 0.011 . 2 . . 3049 . . 51 GLU HB3 . 27503 1 397 . 1 1 51 51 GLU C C 13 175.896 0.001 . 1 . . 581 . . 51 GLU C . 27503 1 398 . 1 1 51 51 GLU CA C 13 52.591 0.1 . 1 . . 583 . . 51 GLU CA . 27503 1 399 . 1 1 51 51 GLU CB C 13 28.502 0.01 . 1 . . 582 . . 51 GLU CB . 27503 1 400 . 1 1 51 51 GLU CG C 13 34.718 . . 1 . . 2591 . . 51 GLU CG . 27503 1 401 . 1 1 51 51 GLU N N 15 123.917 0.038 . 1 . . 44 . . 51 GLU N . 27503 1 402 . 1 1 52 52 LYS H H 1 8.554 0.006 . 1 . . 21 . . 52 LYS H . 27503 1 403 . 1 1 52 52 LYS HA H 1 4.405 0.002 . 1 . . 3043 . . 52 LYS HA . 27503 1 404 . 1 1 52 52 LYS HB2 H 1 1.917 0.003 . 1 . . 3047 . . 52 LYS HB2 . 27503 1 405 . 1 1 52 52 LYS HD2 H 1 1.571 0.005 . 1 . . 3048 . . 52 LYS HD2 . 27503 1 406 . 1 1 52 52 LYS C C 13 174.929 . . 1 . . 2590 . . 52 LYS C . 27503 1 407 . 1 1 52 52 LYS CA C 13 52.511 0.035 . 1 . . 747 . . 52 LYS CA . 27503 1 408 . 1 1 52 52 LYS CB C 13 33.940 0.005 . 1 . . 360 . . 52 LYS CB . 27503 1 409 . 1 1 52 52 LYS N N 15 125.337 0.073 . 1 . . 22 . . 52 LYS N . 27503 1 410 . 1 1 53 53 THR HA H 1 5.188 0.012 . 1 . . 2868 . . 53 THR HA . 27503 1 411 . 1 1 53 53 THR HB H 1 4.536 0.001 . 1 . . 2869 . . 53 THR HB . 27503 1 412 . 1 1 53 53 THR C C 13 173.115 0.035 . 1 . . 883 . . 53 THR C . 27503 1 413 . 1 1 53 53 THR CA C 13 58.521 0.02 . 1 . . 884 . . 53 THR CA . 27503 1 414 . 1 1 53 53 THR CB C 13 67.378 0.039 . 1 . . 885 . . 53 THR CB . 27503 1 415 . 1 1 53 53 THR CG2 C 13 19.811 . . 1 . . 2621 . . 53 THR CG2 . 27503 1 416 . 1 1 54 54 PHE H H 1 9.052 0.013 . 1 . . 207 . . 54 PHE H . 27503 1 417 . 1 1 54 54 PHE HA H 1 4.789 0.016 . 1 . . 2866 . . 54 PHE HA . 27503 1 418 . 1 1 54 54 PHE HB2 H 1 2.983 0.005 . 1 . . 2867 . . 54 PHE HB2 . 27503 1 419 . 1 1 54 54 PHE HD1 H 1 7.039 0.007 . 1 . . 3045 . . 54 PHE HD1 . 27503 1 420 . 1 1 54 54 PHE HD2 H 1 7.039 0.007 . 1 . . 3045 . . 54 PHE HD2 . 27503 1 421 . 1 1 54 54 PHE HE1 H 1 7.170 0.006 . 1 . . 3046 . . 54 PHE HE1 . 27503 1 422 . 1 1 54 54 PHE HE2 H 1 7.170 0.006 . 1 . . 3046 . . 54 PHE HE2 . 27503 1 423 . 1 1 54 54 PHE C C 13 175.331 0.03 . 1 . . 664 . . 54 PHE C . 27503 1 424 . 1 1 54 54 PHE CA C 13 53.536 0.046 . 1 . . 790 . . 54 PHE CA . 27503 1 425 . 1 1 54 54 PHE CB C 13 40.420 0.058 . 1 . . 739 . . 54 PHE CB . 27503 1 426 . 1 1 54 54 PHE N N 15 123.611 0.041 . 1 . . 208 . . 54 PHE N . 27503 1 427 . 1 1 55 55 ARG H H 1 9.313 0.003 . 1 . . 15 . . 55 ARG H . 27503 1 428 . 1 1 55 55 ARG HA H 1 4.396 0.011 . 1 . . 2864 . . 55 ARG HA . 27503 1 429 . 1 1 55 55 ARG HB2 H 1 1.849 0.004 . 1 . . 2865 . . 55 ARG HB2 . 27503 1 430 . 1 1 55 55 ARG C C 13 176.170 0.002 . 1 . . 791 . . 55 ARG C . 27503 1 431 . 1 1 55 55 ARG CA C 13 53.477 0.033 . 1 . . 2609 . . 55 ARG CA . 27503 1 432 . 1 1 55 55 ARG CB C 13 28.521 0.045 . 1 . . 792 . . 55 ARG CB . 27503 1 433 . 1 1 55 55 ARG N N 15 123.253 0.039 . 1 . . 16 . . 55 ARG N . 27503 1 434 . 1 1 56 56 ALA H H 1 7.984 0.005 . 1 . . 81 . . 56 ALA H . 27503 1 435 . 1 1 56 56 ALA HA H 1 4.701 0.011 . 1 . . 3044 . . 56 ALA HA . 27503 1 436 . 1 1 56 56 ALA HB1 H 1 1.297 0.003 . 1 . . 3042 . . 56 ALA HB1 . 27503 1 437 . 1 1 56 56 ALA HB2 H 1 1.297 0.003 . 1 . . 3042 . . 56 ALA HB2 . 27503 1 438 . 1 1 56 56 ALA HB3 H 1 1.297 0.003 . 1 . . 3042 . . 56 ALA HB3 . 27503 1 439 . 1 1 56 56 ALA C C 13 178.706 . . 1 . . 611 . . 56 ALA C . 27503 1 440 . 1 1 56 56 ALA CA C 13 51.479 0.012 . 1 . . 394 . . 56 ALA CA . 27503 1 441 . 1 1 56 56 ALA CB C 13 15.575 0.011 . 1 . . 395 . . 56 ALA CB . 27503 1 442 . 1 1 56 56 ALA N N 15 123.236 0.024 . 1 . . 82 . . 56 ALA N . 27503 1 443 . 1 1 62 62 PRO HA H 1 4.603 0.014 . 1 . . 3178 . . 62 PRO HA . 27503 1 444 . 1 1 62 62 PRO HB2 H 1 2.217 0.015 . 2 . . 3179 . . 62 PRO HB2 . 27503 1 445 . 1 1 62 62 PRO HB3 H 1 1.937 0.002 . 2 . . 3180 . . 62 PRO HB3 . 27503 1 446 . 1 1 62 62 PRO C C 13 175.628 . . 1 . . 1004 . . 62 PRO C . 27503 1 447 . 1 1 62 62 PRO CA C 13 59.780 0.016 . 1 . . 741 . . 62 PRO CA . 27503 1 448 . 1 1 62 62 PRO CB C 13 29.751 0.023 . 1 . . 740 . . 62 PRO CB . 27503 1 449 . 1 1 63 63 ALA H H 1 7.837 0.008 . 1 . . 17 . . 63 ALA H . 27503 1 450 . 1 1 63 63 ALA HA H 1 4.602 0.003 . 1 . . 2998 . . 63 ALA HA . 27503 1 451 . 1 1 63 63 ALA HB1 H 1 0.849 0.013 . 1 . . 3193 . . 63 ALA HB1 . 27503 1 452 . 1 1 63 63 ALA HB2 H 1 0.849 0.013 . 1 . . 3193 . . 63 ALA HB2 . 27503 1 453 . 1 1 63 63 ALA HB3 H 1 0.849 0.013 . 1 . . 3193 . . 63 ALA HB3 . 27503 1 454 . 1 1 63 63 ALA C C 13 175.528 . . 1 . . 3181 . . 63 ALA C . 27503 1 455 . 1 1 63 63 ALA CA C 13 47.883 0.022 . 1 . . 357 . . 63 ALA CA . 27503 1 456 . 1 1 63 63 ALA CB C 13 17.603 0.017 . 1 . . 358 . . 63 ALA CB . 27503 1 457 . 1 1 63 63 ALA N N 15 123.392 0.038 . 1 . . 18 . . 63 ALA N . 27503 1 458 . 1 1 66 66 GLU H H 1 8.781 . . 1 . . 3004 . . 66 GLU H . 27503 1 459 . 1 1 66 66 GLU HA H 1 4.669 . . 1 . . 3003 . . 66 GLU HA . 27503 1 460 . 1 1 67 67 ASN HA H 1 5.342 0.018 . 1 . . 2862 . . 67 ASN HA . 27503 1 461 . 1 1 67 67 ASN HB2 H 1 2.558 0.011 . 1 . . 2863 . . 67 ASN HB2 . 27503 1 462 . 1 1 67 67 ASN C C 13 174.936 . . 1 . . 2622 . . 67 ASN C . 27503 1 463 . 1 1 67 67 ASN CA C 13 49.742 0.028 . 1 . . 920 . . 67 ASN CA . 27503 1 464 . 1 1 67 67 ASN CB C 13 38.334 0.031 . 1 . . 922 . . 67 ASN CB . 27503 1 465 . 1 1 68 68 ARG H H 1 8.788 0.006 . 1 . . 249 . . 68 ARG H . 27503 1 466 . 1 1 68 68 ARG HA H 1 4.622 0.01 . 1 . . 2861 . . 68 ARG HA . 27503 1 467 . 1 1 68 68 ARG HB2 H 1 1.801 0.001 . 1 . . 3040 . . 68 ARG HB2 . 27503 1 468 . 1 1 68 68 ARG HG2 H 1 1.608 0.001 . 1 . . 3041 . . 68 ARG HG2 . 27503 1 469 . 1 1 68 68 ARG C C 13 175.060 0.028 . 1 . . 921 . . 68 ARG C . 27503 1 470 . 1 1 68 68 ARG CA C 13 51.595 0.027 . 1 . . 506 . . 68 ARG CA . 27503 1 471 . 1 1 68 68 ARG CB C 13 30.131 0.023 . 1 . . 507 . . 68 ARG CB . 27503 1 472 . 1 1 68 68 ARG CG C 13 23.945 0.007 . 1 . . 2603 . . 68 ARG CG . 27503 1 473 . 1 1 68 68 ARG N N 15 122.505 0.039 . 1 . . 250 . . 68 ARG N . 27503 1 474 . 1 1 69 69 ARG H H 1 8.693 0.005 . 1 . . 57 . . 69 ARG H . 27503 1 475 . 1 1 69 69 ARG HA H 1 4.693 0.02 . 1 . . 2859 . . 69 ARG HA . 27503 1 476 . 1 1 69 69 ARG HB2 H 1 1.748 0.005 . 1 . . 2860 . . 69 ARG HB2 . 27503 1 477 . 1 1 69 69 ARG C C 13 176.212 0.007 . 1 . . 918 . . 69 ARG C . 27503 1 478 . 1 1 69 69 ARG CA C 13 53.832 0.08 . 1 . . 378 . . 69 ARG CA . 27503 1 479 . 1 1 69 69 ARG CB C 13 27.735 0.047 . 1 . . 919 . . 69 ARG CB . 27503 1 480 . 1 1 69 69 ARG N N 15 125.822 0.069 . 1 . . 58 . . 69 ARG N . 27503 1 481 . 1 1 70 70 MET H H 1 8.919 0.007 . 1 . . 245 . . 70 MET H . 27503 1 482 . 1 1 70 70 MET HA H 1 5.177 0.023 . 1 . . 2858 . . 70 MET HA . 27503 1 483 . 1 1 70 70 MET HB2 H 1 1.798 0.003 . 2 . . 3038 . . 70 MET HB2 . 27503 1 484 . 1 1 70 70 MET HB3 H 1 1.613 0.014 . 2 . . 3039 . . 70 MET HB3 . 27503 1 485 . 1 1 70 70 MET C C 13 173.707 0.011 . 1 . . 873 . . 70 MET C . 27503 1 486 . 1 1 70 70 MET CA C 13 51.951 0.012 . 1 . . 503 . . 70 MET CA . 27503 1 487 . 1 1 70 70 MET CB C 13 35.358 0.113 . 1 . . 502 . . 70 MET CB . 27503 1 488 . 1 1 70 70 MET CG C 13 30.844 . . 1 . . 2601 . . 70 MET CG . 27503 1 489 . 1 1 70 70 MET N N 15 123.585 0.036 . 1 . . 246 . . 70 MET N . 27503 1 490 . 1 1 71 71 GLN H H 1 9.081 0.004 . 1 . . 193 . . 71 GLN H . 27503 1 491 . 1 1 71 71 GLN HA H 1 5.210 0.012 . 1 . . 2857 . . 71 GLN HA . 27503 1 492 . 1 1 71 71 GLN HB2 H 1 1.813 0.002 . 2 . . 3035 . . 71 GLN HB2 . 27503 1 493 . 1 1 71 71 GLN HB3 H 1 2.000 0.006 . 2 . . 3036 . . 71 GLN HB3 . 27503 1 494 . 1 1 71 71 GLN HG2 H 1 2.212 0.002 . 1 . . 3037 . . 71 GLN HG2 . 27503 1 495 . 1 1 71 71 GLN C C 13 176.316 0.003 . 1 . . 657 . . 71 GLN C . 27503 1 496 . 1 1 71 71 GLN CA C 13 51.448 0.052 . 1 . . 470 . . 71 GLN CA . 27503 1 497 . 1 1 71 71 GLN CB C 13 29.361 0.06 . 1 . . 471 . . 71 GLN CB . 27503 1 498 . 1 1 71 71 GLN CG C 13 31.681 0.007 . 1 . . 2606 . . 71 GLN CG . 27503 1 499 . 1 1 71 71 GLN N N 15 119.630 0.023 . 1 . . 194 . . 71 GLN N . 27503 1 500 . 1 1 72 72 TYR H H 1 9.126 0.007 . 1 . . 73 . . 72 TYR H . 27503 1 501 . 1 1 72 72 TYR HA H 1 4.113 0.012 . 1 . . 2855 . . 72 TYR HA . 27503 1 502 . 1 1 72 72 TYR HB2 H 1 2.723 0.019 . 1 . . 2856 . . 72 TYR HB2 . 27503 1 503 . 1 1 72 72 TYR C C 13 174.262 0.001 . 1 . . 2604 . . 72 TYR C . 27503 1 504 . 1 1 72 72 TYR CA C 13 54.150 0.041 . 1 . . 846 . . 72 TYR CA . 27503 1 505 . 1 1 72 72 TYR CB C 13 34.975 0.046 . 1 . . 608 . . 72 TYR CB . 27503 1 506 . 1 1 72 72 TYR N N 15 126.023 0.113 . 1 . . 74 . . 72 TYR N . 27503 1 507 . 1 1 73 73 LEU H H 1 8.786 0.007 . 1 . . 152 . . 73 LEU H . 27503 1 508 . 1 1 73 73 LEU HA H 1 4.226 0.006 . 1 . . 2854 . . 73 LEU HA . 27503 1 509 . 1 1 73 73 LEU HB2 H 1 1.700 0.004 . 1 . . 3222 . . 73 LEU HB2 . 27503 1 510 . 1 1 73 73 LEU HD11 H 1 1.125 0.013 . 2 . . 3029 . . 73 LEU HD11 . 27503 1 511 . 1 1 73 73 LEU HD12 H 1 1.125 0.013 . 2 . . 3029 . . 73 LEU HD12 . 27503 1 512 . 1 1 73 73 LEU HD13 H 1 1.125 0.013 . 2 . . 3029 . . 73 LEU HD13 . 27503 1 513 . 1 1 73 73 LEU HD21 H 1 0.951 0.001 . 2 . . 3032 . . 73 LEU HD21 . 27503 1 514 . 1 1 73 73 LEU HD22 H 1 0.951 0.001 . 2 . . 3032 . . 73 LEU HD22 . 27503 1 515 . 1 1 73 73 LEU HD23 H 1 0.951 0.001 . 2 . . 3032 . . 73 LEU HD23 . 27503 1 516 . 1 1 73 73 LEU C C 13 175.197 . . 1 . . 913 . . 73 LEU C . 27503 1 517 . 1 1 73 73 LEU CA C 13 53.613 0.054 . 1 . . 914 . . 73 LEU CA . 27503 1 518 . 1 1 73 73 LEU CB C 13 40.692 0.021 . 1 . . 915 . . 73 LEU CB . 27503 1 519 . 1 1 73 73 LEU CD1 C 13 23.111 0.029 . 1 . . 2605 . . 73 LEU CD1 . 27503 1 520 . 1 1 73 73 LEU N N 15 130.983 0.034 . 1 . . 153 . . 73 LEU N . 27503 1 521 . 1 1 74 74 TYR H H 1 6.317 0.012 . 1 . . 241 . . 74 TYR H . 27503 1 522 . 1 1 74 74 TYR HA H 1 4.187 0.015 . 1 . . 2853 . . 74 TYR HA . 27503 1 523 . 1 1 74 74 TYR HB2 H 1 3.335 0.004 . 2 . . 2852 . . 74 TYR HB2 . 27503 1 524 . 1 1 74 74 TYR HB3 H 1 2.841 0.013 . 2 . . 3028 . . 74 TYR HB3 . 27503 1 525 . 1 1 74 74 TYR HE1 H 1 6.601 0.004 . 1 . . 3027 . . 74 TYR HE1 . 27503 1 526 . 1 1 74 74 TYR HE2 H 1 6.601 0.004 . 1 . . 3027 . . 74 TYR HE2 . 27503 1 527 . 1 1 74 74 TYR C C 13 172.449 0.006 . 1 . . 680 . . 74 TYR C . 27503 1 528 . 1 1 74 74 TYR CA C 13 53.394 0.047 . 1 . . 681 . . 74 TYR CA . 27503 1 529 . 1 1 74 74 TYR CB C 13 35.971 0.097 . 1 . . 500 . . 74 TYR CB . 27503 1 530 . 1 1 74 74 TYR N N 15 109.008 0.015 . 1 . . 242 . . 74 TYR N . 27503 1 531 . 1 1 75 75 ALA H H 1 8.417 0.004 . 1 . . 197 . . 75 ALA H . 27503 1 532 . 1 1 75 75 ALA HA H 1 4.719 0.018 . 1 . . 2850 . . 75 ALA HA . 27503 1 533 . 1 1 75 75 ALA HB1 H 1 1.269 0.006 . 1 . . 2851 . . 75 ALA HB1 . 27503 1 534 . 1 1 75 75 ALA HB2 H 1 1.269 0.006 . 1 . . 2851 . . 75 ALA HB2 . 27503 1 535 . 1 1 75 75 ALA HB3 H 1 1.269 0.006 . 1 . . 2851 . . 75 ALA HB3 . 27503 1 536 . 1 1 75 75 ALA C C 13 177.053 0.008 . 1 . . 2594 . . 75 ALA C . 27503 1 537 . 1 1 75 75 ALA CA C 13 48.153 0.065 . 1 . . 2592 . . 75 ALA CA . 27503 1 538 . 1 1 75 75 ALA CB C 13 18.001 0.081 . 1 . . 2593 . . 75 ALA CB . 27503 1 539 . 1 1 75 75 ALA N N 15 121.387 0.04 . 1 . . 198 . . 75 ALA N . 27503 1 540 . 1 1 76 76 ASP H H 1 8.821 0.008 . 1 . . 13 . . 76 ASP H . 27503 1 541 . 1 1 76 76 ASP HA H 1 4.715 0.0 . 1 . . 3169 . . 76 ASP HA . 27503 1 542 . 1 1 76 76 ASP HB2 H 1 2.707 0.0 . 2 . . 2715 . . 76 ASP HB2 . 27503 1 543 . 1 1 76 76 ASP HB3 H 1 2.373 0.006 . 2 . . 3026 . . 76 ASP HB3 . 27503 1 544 . 1 1 76 76 ASP C C 13 176.288 0.009 . 1 . . 2595 . . 76 ASP C . 27503 1 545 . 1 1 76 76 ASP CA C 13 50.002 0.072 . 1 . . 716 . . 76 ASP CA . 27503 1 546 . 1 1 76 76 ASP CB C 13 39.379 0.043 . 1 . . 356 . . 76 ASP CB . 27503 1 547 . 1 1 76 76 ASP N N 15 123.926 0.053 . 1 . . 14 . . 76 ASP N . 27503 1 548 . 1 1 77 77 GLY H H 1 8.604 0.002 . 1 . . 2572 . . 77 GLY H . 27503 1 549 . 1 1 77 77 GLY HA2 H 1 3.940 0.001 . 2 . . 2815 . . 77 GLY HA2 . 27503 1 550 . 1 1 77 77 GLY HA3 H 1 3.562 0.003 . 2 . . 2849 . . 77 GLY HA3 . 27503 1 551 . 1 1 77 77 GLY CA C 13 44.553 0.016 . 1 . . 2574 . . 77 GLY CA . 27503 1 552 . 1 1 77 77 GLY N N 15 114.880 0.024 . 1 . . 2573 . . 77 GLY N . 27503 1 553 . 1 1 78 78 ASP HA H 1 4.730 0.023 . 1 . . 2846 . . 78 ASP HA . 27503 1 554 . 1 1 78 78 ASP HB2 H 1 2.541 0.001 . 2 . . 2847 . . 78 ASP HB2 . 27503 1 555 . 1 1 78 78 ASP HB3 H 1 2.917 0.003 . 2 . . 2848 . . 78 ASP HB3 . 27503 1 556 . 1 1 78 78 ASP C C 13 174.296 . . 1 . . 2620 . . 78 ASP C . 27503 1 557 . 1 1 78 78 ASP CA C 13 51.978 0.023 . 1 . . 2617 . . 78 ASP CA . 27503 1 558 . 1 1 78 78 ASP CB C 13 38.912 0.022 . 1 . . 748 . . 78 ASP CB . 27503 1 559 . 1 1 79 79 ASN H H 1 7.734 0.012 . 1 . . 23 . . 79 ASN H . 27503 1 560 . 1 1 79 79 ASN HA H 1 5.189 0.016 . 1 . . 2844 . . 79 ASN HA . 27503 1 561 . 1 1 79 79 ASN HB2 H 1 2.816 0.016 . 2 . . 2845 . . 79 ASN HB2 . 27503 1 562 . 1 1 79 79 ASN HB3 H 1 2.440 0.006 . 2 . . 3025 . . 79 ASN HB3 . 27503 1 563 . 1 1 79 79 ASN C C 13 172.987 0.012 . 1 . . 2506 . . 79 ASN C . 27503 1 564 . 1 1 79 79 ASN CA C 13 49.582 0.017 . 1 . . 361 . . 79 ASN CA . 27503 1 565 . 1 1 79 79 ASN CB C 13 38.862 0.003 . 1 . . 798 . . 79 ASN CB . 27503 1 566 . 1 1 79 79 ASN N N 15 117.193 0.025 . 1 . . 24 . . 79 ASN N . 27503 1 567 . 1 1 80 80 HIS H H 1 9.035 0.01 . 1 . . 91 . . 80 HIS H . 27503 1 568 . 1 1 80 80 HIS HA H 1 4.540 0.02 . 1 . . 2843 . . 80 HIS HA . 27503 1 569 . 1 1 80 80 HIS HB2 H 1 2.886 0.002 . 2 . . 3219 . . 80 HIS HB2 . 27503 1 570 . 1 1 80 80 HIS HB3 H 1 2.947 0.004 . 2 . . 3220 . . 80 HIS HB3 . 27503 1 571 . 1 1 80 80 HIS C C 13 173.706 0.013 . 1 . . 617 . . 80 HIS C . 27503 1 572 . 1 1 80 80 HIS CA C 13 54.235 0.015 . 1 . . 720 . . 80 HIS CA . 27503 1 573 . 1 1 80 80 HIS CB C 13 30.318 0.027 . 1 . . 2616 . . 80 HIS CB . 27503 1 574 . 1 1 80 80 HIS N N 15 122.617 0.119 . 1 . . 92 . . 80 HIS N . 27503 1 575 . 1 1 81 81 VAL H H 1 8.485 0.009 . 1 . . 2560 . . 81 VAL H . 27503 1 576 . 1 1 81 81 VAL HA H 1 4.438 0.013 . 1 . . 2842 . . 81 VAL HA . 27503 1 577 . 1 1 81 81 VAL HB H 1 2.042 0.001 . 1 . . 3030 . . 81 VAL HB . 27503 1 578 . 1 1 81 81 VAL HG11 H 1 0.715 0.005 . 1 . . 3031 . . 81 VAL HG11 . 27503 1 579 . 1 1 81 81 VAL HG12 H 1 0.715 0.005 . 1 . . 3031 . . 81 VAL HG12 . 27503 1 580 . 1 1 81 81 VAL HG13 H 1 0.715 0.005 . 1 . . 3031 . . 81 VAL HG13 . 27503 1 581 . 1 1 81 81 VAL C C 13 174.049 . . 1 . . 2619 . . 81 VAL C . 27503 1 582 . 1 1 81 81 VAL CA C 13 60.360 0.03 . 1 . . 2562 . . 81 VAL CA . 27503 1 583 . 1 1 81 81 VAL CB C 13 29.529 0.002 . 1 . . 2615 . . 81 VAL CB . 27503 1 584 . 1 1 81 81 VAL CG1 C 13 19.031 0.002 . 1 . . 2618 . . 81 VAL CG1 . 27503 1 585 . 1 1 81 81 VAL N N 15 124.631 0.075 . 1 . . 2561 . . 81 VAL N . 27503 1 586 . 1 1 82 82 PHE H H 1 9.063 0.016 . 1 . . 2556 . . 82 PHE H . 27503 1 587 . 1 1 82 82 PHE HA H 1 5.345 0.012 . 1 . . 2841 . . 82 PHE HA . 27503 1 588 . 1 1 82 82 PHE HB2 H 1 2.970 0.003 . 2 . . 3198 . . 82 PHE HB2 . 27503 1 589 . 1 1 82 82 PHE HB3 H 1 2.911 . . 2 . . 3199 . . 82 PHE HB3 . 27503 1 590 . 1 1 82 82 PHE HD1 H 1 6.996 0.023 . 1 . . 3016 . . 82 PHE HD1 . 27503 1 591 . 1 1 82 82 PHE HD2 H 1 6.996 0.023 . 1 . . 3016 . . 82 PHE HD2 . 27503 1 592 . 1 1 82 82 PHE C C 13 174.480 . . 1 . . 827 . . 82 PHE C . 27503 1 593 . 1 1 82 82 PHE CA C 13 52.982 0.121 . 1 . . 2559 . . 82 PHE CA . 27503 1 594 . 1 1 82 82 PHE CB C 13 40.968 0.117 . 1 . . 2558 . . 82 PHE CB . 27503 1 595 . 1 1 82 82 PHE N N 15 125.203 0.052 . 1 . . 2557 . . 82 PHE N . 27503 1 596 . 1 1 83 83 MET H H 1 9.324 0.005 . 1 . . 126 . . 83 MET H . 27503 1 597 . 1 1 83 83 MET HA H 1 5.167 0.015 . 1 . . 2840 . . 83 MET HA . 27503 1 598 . 1 1 83 83 MET HB2 H 1 2.002 0.006 . 1 . . 3221 . . 83 MET HB2 . 27503 1 599 . 1 1 83 83 MET C C 13 174.466 0.005 . 1 . . 632 . . 83 MET C . 27503 1 600 . 1 1 83 83 MET CA C 13 51.364 0.031 . 1 . . 431 . . 83 MET CA . 27503 1 601 . 1 1 83 83 MET CB C 13 35.239 0.022 . 1 . . 430 . . 83 MET CB . 27503 1 602 . 1 1 83 83 MET CG C 13 28.991 . . 1 . . 2589 . . 83 MET CG . 27503 1 603 . 1 1 83 83 MET N N 15 119.949 0.029 . 1 . . 127 . . 83 MET N . 27503 1 604 . 1 1 84 84 ASP H H 1 8.681 0.005 . 1 . . 134 . . 84 ASP H . 27503 1 605 . 1 1 84 84 ASP HA H 1 4.664 0.02 . 1 . . 2838 . . 84 ASP HA . 27503 1 606 . 1 1 84 84 ASP HB2 H 1 2.518 0.008 . 1 . . 2839 . . 84 ASP HB2 . 27503 1 607 . 1 1 84 84 ASP C C 13 176.803 0.028 . 1 . . 2588 . . 84 ASP C . 27503 1 608 . 1 1 84 84 ASP CA C 13 51.658 0.04 . 1 . . 436 . . 84 ASP CA . 27503 1 609 . 1 1 84 84 ASP CB C 13 40.513 0.055 . 1 . . 435 . . 84 ASP CB . 27503 1 610 . 1 1 84 84 ASP N N 15 128.410 0.059 . 1 . . 135 . . 84 ASP N . 27503 1 611 . 1 1 85 85 ASN H H 1 8.691 0.008 . 1 . . 330 . . 85 ASN H . 27503 1 612 . 1 1 85 85 ASN HA H 1 4.324 0.002 . 1 . . 2835 . . 85 ASN HA . 27503 1 613 . 1 1 85 85 ASN HB2 H 1 2.636 0.004 . 2 . . 2836 . . 85 ASN HB2 . 27503 1 614 . 1 1 85 85 ASN HB3 H 1 2.792 0.02 . 2 . . 2837 . . 85 ASN HB3 . 27503 1 615 . 1 1 85 85 ASN C C 13 174.781 0.039 . 1 . . 590 . . 85 ASN C . 27503 1 616 . 1 1 85 85 ASN CA C 13 52.720 0.053 . 1 . . 558 . . 85 ASN CA . 27503 1 617 . 1 1 85 85 ASN CB C 13 36.310 0.055 . 1 . . 559 . . 85 ASN CB . 27503 1 618 . 1 1 85 85 ASN N N 15 125.583 0.068 . 1 . . 331 . . 85 ASN N . 27503 1 619 . 1 1 86 86 GLU H H 1 8.718 0.004 . 1 . . 79 . . 86 GLU H . 27503 1 620 . 1 1 86 86 GLU HA H 1 4.203 0.021 . 1 . . 2833 . . 86 GLU HA . 27503 1 621 . 1 1 86 86 GLU HB2 H 1 1.965 0.012 . 1 . . 2834 . . 86 GLU HB2 . 27503 1 622 . 1 1 86 86 GLU C C 13 176.619 0.034 . 1 . . 610 . . 86 GLU C . 27503 1 623 . 1 1 86 86 GLU CA C 13 54.836 0.049 . 1 . . 393 . . 86 GLU CA . 27503 1 624 . 1 1 86 86 GLU CB C 13 28.264 0.072 . 1 . . 392 . . 86 GLU CB . 27503 1 625 . 1 1 86 86 GLU CG C 13 33.954 . . 1 . . 1038 . . 86 GLU CG . 27503 1 626 . 1 1 86 86 GLU N N 15 117.185 0.036 . 1 . . 80 . . 86 GLU N . 27503 1 627 . 1 1 87 87 SER H H 1 8.074 0.01 . 1 . . 170 . . 87 SER H . 27503 1 628 . 1 1 87 87 SER HA H 1 4.315 0.004 . 1 . . 3192 . . 87 SER HA . 27503 1 629 . 1 1 87 87 SER HB2 H 1 3.673 0.003 . 1 . . 2831 . . 87 SER HB2 . 27503 1 630 . 1 1 87 87 SER C C 13 175.510 0.008 . 1 . . 649 . . 87 SER C . 27503 1 631 . 1 1 87 87 SER CA C 13 55.412 0.056 . 1 . . 459 . . 87 SER CA . 27503 1 632 . 1 1 87 87 SER CB C 13 62.913 0.034 . 1 . . 458 . . 87 SER CB . 27503 1 633 . 1 1 87 87 SER N N 15 112.509 0.027 . 1 . . 171 . . 87 SER N . 27503 1 634 . 1 1 88 88 PHE H H 1 7.933 0.006 . 1 . . 343 . . 88 PHE H . 27503 1 635 . 1 1 88 88 PHE HA H 1 4.424 0.01 . 1 . . 2828 . . 88 PHE HA . 27503 1 636 . 1 1 88 88 PHE HB2 H 1 3.349 0.008 . 2 . . 2829 . . 88 PHE HB2 . 27503 1 637 . 1 1 88 88 PHE HB3 H 1 3.460 0.002 . 2 . . 2830 . . 88 PHE HB3 . 27503 1 638 . 1 1 88 88 PHE HD1 H 1 7.179 0.036 . 1 . . 3194 . . 88 PHE HD1 . 27503 1 639 . 1 1 88 88 PHE HD2 H 1 7.179 0.036 . 1 . . 3194 . . 88 PHE HD2 . 27503 1 640 . 1 1 88 88 PHE C C 13 174.698 0.008 . 1 . . 711 . . 88 PHE C . 27503 1 641 . 1 1 88 88 PHE CA C 13 56.901 0.035 . 1 . . 573 . . 88 PHE CA . 27503 1 642 . 1 1 88 88 PHE CB C 13 33.122 0.034 . 1 . . 572 . . 88 PHE CB . 27503 1 643 . 1 1 88 88 PHE CD1 C 13 131.359 . . 1 . . 3195 . . 88 PHE CD1 . 27503 1 644 . 1 1 88 88 PHE CD2 C 13 131.359 . . 1 . . 3195 . . 88 PHE CD2 . 27503 1 645 . 1 1 88 88 PHE N N 15 117.275 0.022 . 1 . . 344 . . 88 PHE N . 27503 1 646 . 1 1 89 89 GLU H H 1 7.661 0.007 . 1 . . 260 . . 89 GLU H . 27503 1 647 . 1 1 89 89 GLU HA H 1 4.348 0.008 . 1 . . 3019 . . 89 GLU HA . 27503 1 648 . 1 1 89 89 GLU HB2 H 1 1.808 0.017 . 2 . . 2904 . . 89 GLU HB2 . 27503 1 649 . 1 1 89 89 GLU HB3 H 1 2.000 0.012 . 2 . . 3020 . . 89 GLU HB3 . 27503 1 650 . 1 1 89 89 GLU HG2 H 1 2.256 0.018 . 1 . . 3023 . . 89 GLU HG2 . 27503 1 651 . 1 1 89 89 GLU C C 13 176.127 0.002 . 1 . . 686 . . 89 GLU C . 27503 1 652 . 1 1 89 89 GLU CA C 13 54.040 0.035 . 1 . . 510 . . 89 GLU CA . 27503 1 653 . 1 1 89 89 GLU CB C 13 28.692 0.042 . 1 . . 511 . . 89 GLU CB . 27503 1 654 . 1 1 89 89 GLU CG C 13 34.142 . . 1 . . 1037 . . 89 GLU CG . 27503 1 655 . 1 1 89 89 GLU N N 15 119.236 0.044 . 1 . . 261 . . 89 GLU N . 27503 1 656 . 1 1 90 90 GLN H H 1 8.724 0.003 . 1 . . 67 . . 90 GLN H . 27503 1 657 . 1 1 90 90 GLN HA H 1 5.440 0.016 . 1 . . 2825 . . 90 GLN HA . 27503 1 658 . 1 1 90 90 GLN HB2 H 1 1.952 0.009 . 1 . . 2826 . . 90 GLN HB2 . 27503 1 659 . 1 1 90 90 GLN C C 13 176.103 0.009 . 1 . . 1034 . . 90 GLN C . 27503 1 660 . 1 1 90 90 GLN CA C 13 52.042 0.043 . 1 . . 385 . . 90 GLN CA . 27503 1 661 . 1 1 90 90 GLN CB C 13 28.734 0.035 . 1 . . 601 . . 90 GLN CB . 27503 1 662 . 1 1 90 90 GLN CG C 13 31.900 . . 1 . . 1036 . . 90 GLN CG . 27503 1 663 . 1 1 90 90 GLN N N 15 121.852 0.027 . 1 . . 68 . . 90 GLN N . 27503 1 664 . 1 1 91 91 THR H H 1 8.930 0.004 . 1 . . 293 . . 91 THR H . 27503 1 665 . 1 1 91 91 THR HA H 1 4.568 0.008 . 1 . . 2822 . . 91 THR HA . 27503 1 666 . 1 1 91 91 THR HB H 1 3.759 0.008 . 1 . . 2823 . . 91 THR HB . 27503 1 667 . 1 1 91 91 THR HG21 H 1 0.967 0.004 . 1 . . 3018 . . 91 THR HG21 . 27503 1 668 . 1 1 91 91 THR HG22 H 1 0.967 0.004 . 1 . . 3018 . . 91 THR HG22 . 27503 1 669 . 1 1 91 91 THR HG23 H 1 0.967 0.004 . 1 . . 3018 . . 91 THR HG23 . 27503 1 670 . 1 1 91 91 THR C C 13 171.643 0.018 . 1 . . 694 . . 91 THR C . 27503 1 671 . 1 1 91 91 THR CA C 13 59.140 0.055 . 1 . . 527 . . 91 THR CA . 27503 1 672 . 1 1 91 91 THR CB C 13 69.132 0.032 . 1 . . 528 . . 91 THR CB . 27503 1 673 . 1 1 91 91 THR CG2 C 13 17.790 0.002 . 1 . . 1035 . . 91 THR CG2 . 27503 1 674 . 1 1 91 91 THR N N 15 118.838 0.044 . 1 . . 294 . . 91 THR N . 27503 1 675 . 1 1 92 92 GLU H H 1 8.254 0.003 . 1 . . 116 . . 92 GLU H . 27503 1 676 . 1 1 92 92 GLU HA H 1 5.591 0.01 . 1 . . 2820 . . 92 GLU HA . 27503 1 677 . 1 1 92 92 GLU HB2 H 1 1.900 0.017 . 1 . . 2821 . . 92 GLU HB2 . 27503 1 678 . 1 1 92 92 GLU HG2 H 1 2.150 0.004 . 1 . . 3017 . . 92 GLU HG2 . 27503 1 679 . 1 1 92 92 GLU C C 13 175.441 0.006 . 1 . . 629 . . 92 GLU C . 27503 1 680 . 1 1 92 92 GLU CA C 13 51.910 0.009 . 1 . . 425 . . 92 GLU CA . 27503 1 681 . 1 1 92 92 GLU CB C 13 29.851 0.052 . 1 . . 424 . . 92 GLU CB . 27503 1 682 . 1 1 92 92 GLU CG C 13 34.037 0.012 . 1 . . 1039 . . 92 GLU CG . 27503 1 683 . 1 1 92 92 GLU N N 15 124.113 0.021 . 1 . . 117 . . 92 GLU N . 27503 1 684 . 1 1 93 93 LEU H H 1 9.249 0.013 . 1 . . 166 . . 93 LEU H . 27503 1 685 . 1 1 93 93 LEU HA H 1 4.849 0.005 . 1 . . 3015 . . 93 LEU HA . 27503 1 686 . 1 1 93 93 LEU HB2 H 1 1.554 0.016 . 2 . . 2818 . . 93 LEU HB2 . 27503 1 687 . 1 1 93 93 LEU HB3 H 1 1.679 0.007 . 2 . . 2819 . . 93 LEU HB3 . 27503 1 688 . 1 1 93 93 LEU HD11 H 1 0.550 0.007 . 1 . . 3014 . . 93 LEU HD11 . 27503 1 689 . 1 1 93 93 LEU HD12 H 1 0.550 0.007 . 1 . . 3014 . . 93 LEU HD12 . 27503 1 690 . 1 1 93 93 LEU HD13 H 1 0.550 0.007 . 1 . . 3014 . . 93 LEU HD13 . 27503 1 691 . 1 1 93 93 LEU C C 13 175.902 . . 1 . . 840 . . 93 LEU C . 27503 1 692 . 1 1 93 93 LEU CA C 13 50.749 0.055 . 1 . . 455 . . 93 LEU CA . 27503 1 693 . 1 1 93 93 LEU CB C 13 44.158 0.051 . 1 . . 839 . . 93 LEU CB . 27503 1 694 . 1 1 93 93 LEU N N 15 123.668 0.05 . 1 . . 167 . . 93 LEU N . 27503 1 695 . 1 1 94 94 SER H H 1 8.491 0.005 . 1 . . 140 . . 94 SER H . 27503 1 696 . 1 1 94 94 SER HA H 1 5.254 0.019 . 1 . . 3170 . . 94 SER HA . 27503 1 697 . 1 1 94 94 SER HB2 H 1 4.046 0.019 . 1 . . 2816 . . 94 SER HB2 . 27503 1 698 . 1 1 94 94 SER C C 13 176.535 . . 1 . . 927 . . 94 SER C . 27503 1 699 . 1 1 94 94 SER CA C 13 55.319 0.053 . 1 . . 926 . . 94 SER CA . 27503 1 700 . 1 1 94 94 SER CB C 13 62.574 0.062 . 1 . . 928 . . 94 SER CB . 27503 1 701 . 1 1 94 94 SER N N 15 117.415 0.013 . 1 . . 141 . . 94 SER N . 27503 1 702 . 1 1 95 95 SER H H 1 8.759 0.005 . 1 . . 255 . . 95 SER H . 27503 1 703 . 1 1 95 95 SER HA H 1 4.615 0.009 . 1 . . 3013 . . 95 SER HA . 27503 1 704 . 1 1 95 95 SER HB2 H 1 4.039 0.008 . 1 . . 3223 . . 95 SER HB2 . 27503 1 705 . 1 1 95 95 SER C C 13 175.984 . . 1 . . 866 . . 95 SER C . 27503 1 706 . 1 1 95 95 SER CA C 13 59.596 0.065 . 1 . . 867 . . 95 SER CA . 27503 1 707 . 1 1 95 95 SER CB C 13 60.640 0.081 . 1 . . 868 . . 95 SER CB . 27503 1 708 . 1 1 95 95 SER N N 15 117.601 0.057 . 1 . . 256 . . 95 SER N . 27503 1 709 . 1 1 96 96 ASP H H 1 8.354 0.002 . 1 . . 182 . . 96 ASP H . 27503 1 710 . 1 1 96 96 ASP HA H 1 4.286 0.012 . 1 . . 2813 . . 96 ASP HA . 27503 1 711 . 1 1 96 96 ASP HB2 H 1 2.466 0.017 . 1 . . 2814 . . 96 ASP HB2 . 27503 1 712 . 1 1 96 96 ASP C C 13 177.843 0.013 . 1 . . 652 . . 96 ASP C . 27503 1 713 . 1 1 96 96 ASP CA C 13 54.411 0.033 . 1 . . 464 . . 96 ASP CA . 27503 1 714 . 1 1 96 96 ASP CB C 13 37.989 0.069 . 1 . . 942 . . 96 ASP CB . 27503 1 715 . 1 1 96 96 ASP N N 15 119.684 0.03 . 1 . . 183 . . 96 ASP N . 27503 1 716 . 1 1 97 97 TYR H H 1 7.873 0.003 . 1 . . 274 . . 97 TYR H . 27503 1 717 . 1 1 97 97 TYR HA H 1 4.273 0.013 . 1 . . 2811 . . 97 TYR HA . 27503 1 718 . 1 1 97 97 TYR HB2 H 1 3.109 0.028 . 1 . . 2812 . . 97 TYR HB2 . 27503 1 719 . 1 1 97 97 TYR C C 13 176.264 0.0 . 1 . . 689 . . 97 TYR C . 27503 1 720 . 1 1 97 97 TYR CA C 13 57.659 0.032 . 1 . . 519 . . 97 TYR CA . 27503 1 721 . 1 1 97 97 TYR CB C 13 36.678 0.067 . 1 . . 520 . . 97 TYR CB . 27503 1 722 . 1 1 97 97 TYR N N 15 119.076 0.015 . 1 . . 275 . . 97 TYR N . 27503 1 723 . 1 1 98 98 LEU H H 1 7.425 0.007 . 1 . . 205 . . 98 LEU H . 27503 1 724 . 1 1 98 98 LEU HA H 1 4.832 0.009 . 1 . . 2809 . . 98 LEU HA . 27503 1 725 . 1 1 98 98 LEU HB2 H 1 1.601 0.025 . 1 . . 2810 . . 98 LEU HB2 . 27503 1 726 . 1 1 98 98 LEU HD11 H 1 0.667 0.005 . 1 . . 3012 . . 98 LEU HD11 . 27503 1 727 . 1 1 98 98 LEU HD12 H 1 0.667 0.005 . 1 . . 3012 . . 98 LEU HD12 . 27503 1 728 . 1 1 98 98 LEU HD13 H 1 0.667 0.005 . 1 . . 3012 . . 98 LEU HD13 . 27503 1 729 . 1 1 98 98 LEU C C 13 176.159 . . 1 . . 881 . . 98 LEU C . 27503 1 730 . 1 1 98 98 LEU CA C 13 50.858 0.052 . 1 . . 478 . . 98 LEU CA . 27503 1 731 . 1 1 98 98 LEU CB C 13 40.827 0.028 . 1 . . 479 . . 98 LEU CB . 27503 1 732 . 1 1 98 98 LEU CD1 C 13 21.283 0.005 . 2 . . 1042 . . 98 LEU CD1 . 27503 1 733 . 1 1 98 98 LEU CD2 C 13 24.133 . . 2 . . 1041 . . 98 LEU CD2 . 27503 1 734 . 1 1 98 98 LEU N N 15 117.739 0.098 . 1 . . 206 . . 98 LEU N . 27503 1 735 . 1 1 99 99 LYS H H 1 7.224 0.007 . 1 . . 215 . . 99 LYS H . 27503 1 736 . 1 1 99 99 LYS HA H 1 3.848 0.008 . 1 . . 2806 . . 99 LYS HA . 27503 1 737 . 1 1 99 99 LYS HB2 H 1 1.789 0.018 . 1 . . 2808 . . 99 LYS HB2 . 27503 1 738 . 1 1 99 99 LYS HG2 H 1 1.419 0.017 . 1 . . 3011 . . 99 LYS HG2 . 27503 1 739 . 1 1 99 99 LYS C C 13 178.437 0.018 . 1 . . 667 . . 99 LYS C . 27503 1 740 . 1 1 99 99 LYS CA C 13 57.698 0.039 . 1 . . 484 . . 99 LYS CA . 27503 1 741 . 1 1 99 99 LYS CB C 13 30.002 0.025 . 1 . . 485 . . 99 LYS CB . 27503 1 742 . 1 1 99 99 LYS CG C 13 21.829 0.006 . 1 . . 1040 . . 99 LYS CG . 27503 1 743 . 1 1 99 99 LYS N N 15 119.490 0.024 . 1 . . 216 . . 99 LYS N . 27503 1 744 . 1 1 100 100 GLU H H 1 8.551 0.014 . 1 . . 282 . . 100 GLU H . 27503 1 745 . 1 1 100 100 GLU HA H 1 3.995 0.007 . 1 . . 2804 . . 100 GLU HA . 27503 1 746 . 1 1 100 100 GLU HB2 H 1 1.911 0.014 . 1 . . 2805 . . 100 GLU HB2 . 27503 1 747 . 1 1 100 100 GLU C C 13 178.018 0.008 . 1 . . 692 . . 100 GLU C . 27503 1 748 . 1 1 100 100 GLU CA C 13 55.679 0.05 . 1 . . 525 . . 100 GLU CA . 27503 1 749 . 1 1 100 100 GLU CB C 13 26.729 0.003 . 1 . . 526 . . 100 GLU CB . 27503 1 750 . 1 1 100 100 GLU CG C 13 33.925 . . 1 . . 1044 . . 100 GLU CG . 27503 1 751 . 1 1 100 100 GLU N N 15 117.527 0.067 . 1 . . 283 . . 100 GLU N . 27503 1 752 . 1 1 101 101 GLU H H 1 8.907 0.007 . 1 . . 233 . . 101 GLU H . 27503 1 753 . 1 1 101 101 GLU HA H 1 3.963 0.019 . 1 . . 2803 . . 101 GLU HA . 27503 1 754 . 1 1 101 101 GLU HB2 H 1 2.066 0.001 . 2 . . 3217 . . 101 GLU HB2 . 27503 1 755 . 1 1 101 101 GLU HB3 H 1 2.245 0.008 . 2 . . 3218 . . 101 GLU HB3 . 27503 1 756 . 1 1 101 101 GLU C C 13 178.754 0.008 . 1 . . 869 . . 101 GLU C . 27503 1 757 . 1 1 101 101 GLU CA C 13 57.955 0.046 . 1 . . 494 . . 101 GLU CA . 27503 1 758 . 1 1 101 101 GLU CB C 13 25.805 0.107 . 1 . . 495 . . 101 GLU CB . 27503 1 759 . 1 1 101 101 GLU N N 15 119.438 0.045 . 1 . . 234 . . 101 GLU N . 27503 1 760 . 1 1 102 102 LEU H H 1 7.926 0.005 . 1 . . 188 . . 102 LEU H . 27503 1 761 . 1 1 102 102 LEU HA H 1 3.812 0.01 . 1 . . 2801 . . 102 LEU HA . 27503 1 762 . 1 1 102 102 LEU HB2 H 1 1.521 0.028 . 1 . . 2802 . . 102 LEU HB2 . 27503 1 763 . 1 1 102 102 LEU HD11 H 1 0.692 0.012 . 1 . . 3010 . . 102 LEU HD11 . 27503 1 764 . 1 1 102 102 LEU HD12 H 1 0.692 0.012 . 1 . . 3010 . . 102 LEU HD12 . 27503 1 765 . 1 1 102 102 LEU HD13 H 1 0.692 0.012 . 1 . . 3010 . . 102 LEU HD13 . 27503 1 766 . 1 1 102 102 LEU C C 13 177.830 0.01 . 1 . . 655 . . 102 LEU C . 27503 1 767 . 1 1 102 102 LEU CA C 13 54.534 0.056 . 1 . . 467 . . 102 LEU CA . 27503 1 768 . 1 1 102 102 LEU CB C 13 38.440 0.092 . 1 . . 755 . . 102 LEU CB . 27503 1 769 . 1 1 102 102 LEU N N 15 118.031 0.046 . 1 . . 189 . . 102 LEU N . 27503 1 770 . 1 1 103 103 ASN H H 1 7.318 0.008 . 1 . . 35 . . 103 ASN H . 27503 1 771 . 1 1 103 103 ASN HA H 1 4.013 0.008 . 1 . . 2800 . . 103 ASN HA . 27503 1 772 . 1 1 103 103 ASN HB2 H 1 2.889 0.007 . 1 . . 3225 . . 103 ASN HB2 . 27503 1 773 . 1 1 103 103 ASN C C 13 175.145 0.003 . 1 . . 1043 . . 103 ASN C . 27503 1 774 . 1 1 103 103 ASN CA C 13 52.519 0.045 . 1 . . 367 . . 103 ASN CA . 27503 1 775 . 1 1 103 103 ASN CB C 13 34.834 0.016 . 1 . . 366 . . 103 ASN CB . 27503 1 776 . 1 1 103 103 ASN N N 15 115.125 0.019 . 1 . . 36 . . 103 ASN N . 27503 1 777 . 1 1 104 104 TYR H H 1 7.325 0.013 . 1 . . 272 . . 104 TYR H . 27503 1 778 . 1 1 104 104 TYR HA H 1 4.713 0.018 . 1 . . 2798 . . 104 TYR HA . 27503 1 779 . 1 1 104 104 TYR HB2 H 1 3.162 0.016 . 1 . . 2799 . . 104 TYR HB2 . 27503 1 780 . 1 1 104 104 TYR C C 13 173.047 0.004 . 1 . . 688 . . 104 TYR C . 27503 1 781 . 1 1 104 104 TYR CA C 13 52.966 0.057 . 1 . . 517 . . 104 TYR CA . 27503 1 782 . 1 1 104 104 TYR CB C 13 38.305 0.06 . 1 . . 518 . . 104 TYR CB . 27503 1 783 . 1 1 104 104 TYR N N 15 115.895 0.03 . 1 . . 273 . . 104 TYR N . 27503 1 784 . 1 1 105 105 LEU H H 1 6.714 0.009 . 1 . . 83 . . 105 LEU H . 27503 1 785 . 1 1 105 105 LEU HA H 1 4.259 0.024 . 1 . . 2796 . . 105 LEU HA . 27503 1 786 . 1 1 105 105 LEU HB2 H 1 1.218 0.017 . 1 . . 2797 . . 105 LEU HB2 . 27503 1 787 . 1 1 105 105 LEU HD11 H 1 0.399 0.012 . 1 . . 3009 . . 105 LEU HD11 . 27503 1 788 . 1 1 105 105 LEU HD12 H 1 0.399 0.012 . 1 . . 3009 . . 105 LEU HD12 . 27503 1 789 . 1 1 105 105 LEU HD13 H 1 0.399 0.012 . 1 . . 3009 . . 105 LEU HD13 . 27503 1 790 . 1 1 105 105 LEU C C 13 174.991 0.003 . 1 . . 612 . . 105 LEU C . 27503 1 791 . 1 1 105 105 LEU CA C 13 53.039 0.062 . 1 . . 613 . . 105 LEU CA . 27503 1 792 . 1 1 105 105 LEU CB C 13 41.085 0.034 . 1 . . 396 . . 105 LEU CB . 27503 1 793 . 1 1 105 105 LEU CD1 C 13 21.806 0.0 . 1 . . 3008 . . 105 LEU CD1 . 27503 1 794 . 1 1 105 105 LEU N N 15 114.970 0.04 . 1 . . 84 . . 105 LEU N . 27503 1 795 . 1 1 106 106 LYS H H 1 7.126 0.007 . 1 . . 164 . . 106 LYS H . 27503 1 796 . 1 1 106 106 LYS HA H 1 4.641 0.01 . 1 . . 2794 . . 106 LYS HA . 27503 1 797 . 1 1 106 106 LYS HB2 H 1 1.706 0.017 . 1 . . 2795 . . 106 LYS HB2 . 27503 1 798 . 1 1 106 106 LYS C C 13 175.029 0.022 . 1 . . 647 . . 106 LYS C . 27503 1 799 . 1 1 106 106 LYS CA C 13 51.575 0.035 . 1 . . 453 . . 106 LYS CA . 27503 1 800 . 1 1 106 106 LYS CB C 13 33.341 0.049 . 1 . . 454 . . 106 LYS CB . 27503 1 801 . 1 1 106 106 LYS CG C 13 21.474 . . 1 . . 1049 . . 106 LYS CG . 27503 1 802 . 1 1 106 106 LYS N N 15 119.806 0.034 . 1 . . 165 . . 106 LYS N . 27503 1 803 . 1 1 107 107 GLU H H 1 9.085 0.011 . 1 . . 41 . . 107 GLU H . 27503 1 804 . 1 1 107 107 GLU HA H 1 3.542 0.006 . 1 . . 2792 . . 107 GLU HA . 27503 1 805 . 1 1 107 107 GLU HB2 H 1 1.890 0.014 . 1 . . 2793 . . 107 GLU HB2 . 27503 1 806 . 1 1 107 107 GLU C C 13 177.261 0.002 . 1 . . 1046 . . 107 GLU C . 27503 1 807 . 1 1 107 107 GLU CA C 13 56.458 0.033 . 1 . . 368 . . 107 GLU CA . 27503 1 808 . 1 1 107 107 GLU CB C 13 26.560 0.036 . 1 . . 369 . . 107 GLU CB . 27503 1 809 . 1 1 107 107 GLU CG C 13 33.794 . . 1 . . 1048 . . 107 GLU CG . 27503 1 810 . 1 1 107 107 GLU N N 15 123.733 0.066 . 1 . . 42 . . 107 GLU N . 27503 1 811 . 1 1 108 108 GLY H H 1 9.107 0.007 . 1 . . 243 . . 108 GLY H . 27503 1 812 . 1 1 108 108 GLY HA2 H 1 3.751 0.007 . 2 . . 2791 . . 108 GLY HA2 . 27503 1 813 . 1 1 108 108 GLY HA3 H 1 4.412 0.009 . 2 . . 2817 . . 108 GLY HA3 . 27503 1 814 . 1 1 108 108 GLY C C 13 174.671 . . 1 . . 682 . . 108 GLY C . 27503 1 815 . 1 1 108 108 GLY CA C 13 42.361 0.074 . 1 . . 501 . . 108 GLY CA . 27503 1 816 . 1 1 108 108 GLY N N 15 113.391 0.073 . 1 . . 244 . . 108 GLY N . 27503 1 817 . 1 1 109 109 MET H H 1 8.114 0.006 . 1 . . 278 . . 109 MET H . 27503 1 818 . 1 1 109 109 MET HA H 1 4.294 0.009 . 1 . . 2788 . . 109 MET HA . 27503 1 819 . 1 1 109 109 MET HB2 H 1 2.118 0.01 . 2 . . 2789 . . 109 MET HB2 . 27503 1 820 . 1 1 109 109 MET HB3 H 1 2.342 0.044 . 2 . . 2790 . . 109 MET HB3 . 27503 1 821 . 1 1 109 109 MET HG2 H 1 2.648 0.006 . 1 . . 3007 . . 109 MET HG2 . 27503 1 822 . 1 1 109 109 MET C C 13 174.815 0.002 . 1 . . 691 . . 109 MET C . 27503 1 823 . 1 1 109 109 MET CA C 13 54.445 0.043 . 1 . . 523 . . 109 MET CA . 27503 1 824 . 1 1 109 109 MET CB C 13 32.883 0.027 . 1 . . 524 . . 109 MET CB . 27503 1 825 . 1 1 109 109 MET CG C 13 29.217 0.0 . 1 . . 1047 . . 109 MET CG . 27503 1 826 . 1 1 109 109 MET N N 15 121.308 0.05 . 1 . . 279 . . 109 MET N . 27503 1 827 . 1 1 110 110 GLU H H 1 8.529 0.006 . 1 . . 9 . . 110 GLU H . 27503 1 828 . 1 1 110 110 GLU HA H 1 5.090 0.013 . 1 . . 2785 . . 110 GLU HA . 27503 1 829 . 1 1 110 110 GLU HB2 H 1 1.999 0.018 . 1 . . 2786 . . 110 GLU HB2 . 27503 1 830 . 1 1 110 110 GLU C C 13 176.079 0.014 . 1 . . 1045 . . 110 GLU C . 27503 1 831 . 1 1 110 110 GLU CA C 13 53.349 0.036 . 1 . . 352 . . 110 GLU CA . 27503 1 832 . 1 1 110 110 GLU CB C 13 28.492 0.061 . 1 . . 353 . . 110 GLU CB . 27503 1 833 . 1 1 110 110 GLU CG C 13 35.148 . . 1 . . 2787 . . 110 GLU CG . 27503 1 834 . 1 1 110 110 GLU N N 15 124.629 0.028 . 1 . . 10 . . 110 GLU N . 27503 1 835 . 1 1 111 111 VAL H H 1 9.068 0.011 . 1 . . 227 . . 111 VAL H . 27503 1 836 . 1 1 111 111 VAL HA H 1 4.761 0.007 . 1 . . 2783 . . 111 VAL HA . 27503 1 837 . 1 1 111 111 VAL HB H 1 2.034 0.003 . 1 . . 3006 . . 111 VAL HB . 27503 1 838 . 1 1 111 111 VAL C C 13 174.284 0.023 . 1 . . 672 . . 111 VAL C . 27503 1 839 . 1 1 111 111 VAL CA C 13 56.085 0.026 . 1 . . 492 . . 111 VAL CA . 27503 1 840 . 1 1 111 111 VAL CB C 13 32.487 0.026 . 1 . . 491 . . 111 VAL CB . 27503 1 841 . 1 1 111 111 VAL CG1 C 13 19.955 . . 1 . . 2784 . . 111 VAL CG1 . 27503 1 842 . 1 1 111 111 VAL N N 15 117.133 0.028 . 1 . . 228 . . 111 VAL N . 27503 1 843 . 1 1 112 112 GLN H H 1 8.056 0.007 . 1 . . 239 . . 112 GLN H . 27503 1 844 . 1 1 112 112 GLN HA H 1 5.079 0.009 . 1 . . 2782 . . 112 GLN HA . 27503 1 845 . 1 1 112 112 GLN HB2 H 1 2.017 0.001 . 1 . . 3216 . . 112 GLN HB2 . 27503 1 846 . 1 1 112 112 GLN C C 13 175.294 0.002 . 1 . . 678 . . 112 GLN C . 27503 1 847 . 1 1 112 112 GLN CA C 13 51.756 0.025 . 1 . . 499 . . 112 GLN CA . 27503 1 848 . 1 1 112 112 GLN CB C 13 27.933 0.046 . 1 . . 679 . . 112 GLN CB . 27503 1 849 . 1 1 112 112 GLN N N 15 117.682 0.033 . 1 . . 240 . . 112 GLN N . 27503 1 850 . 1 1 113 113 ILE H H 1 9.075 0.009 . 1 . . 33 . . 113 ILE H . 27503 1 851 . 1 1 113 113 ILE HA H 1 4.429 0.02 . 1 . . 2780 . . 113 ILE HA . 27503 1 852 . 1 1 113 113 ILE HB H 1 1.658 0.005 . 1 . . 3197 . . 113 ILE HB . 27503 1 853 . 1 1 113 113 ILE C C 13 175.473 0.024 . 1 . . 725 . . 113 ILE C . 27503 1 854 . 1 1 113 113 ILE CA C 13 57.247 0.056 . 1 . . 364 . . 113 ILE CA . 27503 1 855 . 1 1 113 113 ILE CB C 13 36.161 0.07 . 1 . . 365 . . 113 ILE CB . 27503 1 856 . 1 1 113 113 ILE CG2 C 13 15.065 . . 1 . . 2779 . . 113 ILE CG2 . 27503 1 857 . 1 1 113 113 ILE N N 15 125.254 0.04 . 1 . . 34 . . 113 ILE N . 27503 1 858 . 1 1 114 114 GLN H H 1 8.493 0.012 . 1 . . 160 . . 114 GLN H . 27503 1 859 . 1 1 114 114 GLN HA H 1 5.224 0.01 . 1 . . 2777 . . 114 GLN HA . 27503 1 860 . 1 1 114 114 GLN HB2 H 1 2.223 0.013 . 1 . . 3214 . . 114 GLN HB2 . 27503 1 861 . 1 1 114 114 GLN C C 13 176.204 0.01 . 1 . . 645 . . 114 GLN C . 27503 1 862 . 1 1 114 114 GLN CA C 13 52.145 0.037 . 1 . . 450 . . 114 GLN CA . 27503 1 863 . 1 1 114 114 GLN CB C 13 27.816 0.067 . 1 . . 449 . . 114 GLN CB . 27503 1 864 . 1 1 114 114 GLN CG C 13 31.347 . . 1 . . 2778 . . 114 GLN CG . 27503 1 865 . 1 1 114 114 GLN N N 15 126.816 0.082 . 1 . . 161 . . 114 GLN N . 27503 1 866 . 1 1 115 115 THR H H 1 8.942 0.011 . 1 . . 3 . . 115 THR H . 27503 1 867 . 1 1 115 115 THR HA H 1 5.338 0.009 . 1 . . 2776 . . 115 THR HA . 27503 1 868 . 1 1 115 115 THR HB H 1 3.701 0.005 . 1 . . 2775 . . 115 THR HB . 27503 1 869 . 1 1 115 115 THR HG21 H 1 0.906 0.003 . 1 . . 3005 . . 115 THR HG21 . 27503 1 870 . 1 1 115 115 THR HG22 H 1 0.906 0.003 . 1 . . 3005 . . 115 THR HG22 . 27503 1 871 . 1 1 115 115 THR HG23 H 1 0.906 0.003 . 1 . . 3005 . . 115 THR HG23 . 27503 1 872 . 1 1 115 115 THR C C 13 172.688 0.02 . 1 . . 576 . . 115 THR C . 27503 1 873 . 1 1 115 115 THR CA C 13 56.946 0.048 . 1 . . 348 . . 115 THR CA . 27503 1 874 . 1 1 115 115 THR CB C 13 69.646 0.025 . 1 . . 349 . . 115 THR CB . 27503 1 875 . 1 1 115 115 THR CG2 C 13 18.881 0.0 . 1 . . 714 . . 115 THR CG2 . 27503 1 876 . 1 1 115 115 THR N N 15 115.567 0.061 . 1 . . 4 . . 115 THR N . 27503 1 877 . 1 1 116 116 TYR H H 1 8.854 0.006 . 1 . . 195 . . 116 TYR H . 27503 1 878 . 1 1 116 116 TYR HA H 1 4.896 0.007 . 1 . . 3171 . . 116 TYR HA . 27503 1 879 . 1 1 116 116 TYR HB2 H 1 2.896 0.008 . 1 . . 3213 . . 116 TYR HB2 . 27503 1 880 . 1 1 116 116 TYR C C 13 174.816 0.015 . 1 . . 658 . . 116 TYR C . 27503 1 881 . 1 1 116 116 TYR CA C 13 54.408 0.022 . 1 . . 472 . . 116 TYR CA . 27503 1 882 . 1 1 116 116 TYR CB C 13 38.939 0.039 . 1 . . 473 . . 116 TYR CB . 27503 1 883 . 1 1 116 116 TYR N N 15 121.228 0.065 . 1 . . 196 . . 116 TYR N . 27503 1 884 . 1 1 117 117 GLU H H 1 9.150 0.002 . 1 . . 1 . . 117 GLU H . 27503 1 885 . 1 1 117 117 GLU HA H 1 3.550 0.005 . 1 . . 2774 . . 117 GLU HA . 27503 1 886 . 1 1 117 117 GLU HB2 H 1 1.896 0.002 . 1 . . 3215 . . 117 GLU HB2 . 27503 1 887 . 1 1 117 117 GLU C C 13 176.399 0.019 . 1 . . 958 . . 117 GLU C . 27503 1 888 . 1 1 117 117 GLU CA C 13 54.250 0.06 . 1 . . 729 . . 117 GLU CA . 27503 1 889 . 1 1 117 117 GLU CB C 13 24.542 0.113 . 1 . . 347 . . 117 GLU CB . 27503 1 890 . 1 1 117 117 GLU CG C 13 33.046 . . 1 . . 1056 . . 117 GLU CG . 27503 1 891 . 1 1 117 117 GLU N N 15 127.881 0.027 . 1 . . 2 . . 117 GLU N . 27503 1 892 . 1 1 118 118 GLY H H 1 8.478 0.015 . 1 . . 305 . . 118 GLY H . 27503 1 893 . 1 1 118 118 GLY HA2 H 1 3.508 0.011 . 2 . . 2693 . . 118 GLY HA2 . 27503 1 894 . 1 1 118 118 GLY HA3 H 1 4.134 0.004 . 2 . . 2694 . . 118 GLY HA3 . 27503 1 895 . 1 1 118 118 GLY C C 13 173.718 0.005 . 1 . . 777 . . 118 GLY C . 27503 1 896 . 1 1 118 118 GLY CA C 13 42.611 0.067 . 1 . . 536 . . 118 GLY CA . 27503 1 897 . 1 1 118 118 GLY N N 15 103.453 0.081 . 1 . . 306 . . 118 GLY N . 27503 1 898 . 1 1 119 119 GLU H H 1 7.954 0.004 . 1 . . 65 . . 119 GLU H . 27503 1 899 . 1 1 119 119 GLU HA H 1 4.560 0.006 . 1 . . 3001 . . 119 GLU HA . 27503 1 900 . 1 1 119 119 GLU HB2 H 1 1.974 0.002 . 2 . . 2721 . . 119 GLU HB2 . 27503 1 901 . 1 1 119 119 GLU HB3 H 1 2.129 0.002 . 2 . . 3002 . . 119 GLU HB3 . 27503 1 902 . 1 1 119 119 GLU C C 13 176.003 0.005 . 1 . . 600 . . 119 GLU C . 27503 1 903 . 1 1 119 119 GLU CA C 13 51.923 0.05 . 1 . . 829 . . 119 GLU CA . 27503 1 904 . 1 1 119 119 GLU CB C 13 29.215 0.051 . 1 . . 384 . . 119 GLU CB . 27503 1 905 . 1 1 119 119 GLU CG C 13 33.363 . . 1 . . 1055 . . 119 GLU CG . 27503 1 906 . 1 1 119 119 GLU N N 15 122.276 0.088 . 1 . . 66 . . 119 GLU N . 27503 1 907 . 1 1 120 120 THR H H 1 8.739 0.005 . 1 . . 128 . . 120 THR H . 27503 1 908 . 1 1 120 120 THR HA H 1 4.158 0.008 . 1 . . 2772 . . 120 THR HA . 27503 1 909 . 1 1 120 120 THR C C 13 174.782 . . 1 . . 793 . . 120 THR C . 27503 1 910 . 1 1 120 120 THR CA C 13 61.846 0.017 . 1 . . 721 . . 120 THR CA . 27503 1 911 . 1 1 120 120 THR CB C 13 65.611 0.039 . 1 . . 794 . . 120 THR CB . 27503 1 912 . 1 1 120 120 THR CG2 C 13 19.842 . . 1 . . 1054 . . 120 THR CG2 . 27503 1 913 . 1 1 120 120 THR N N 15 122.782 0.018 . 1 . . 129 . . 120 THR N . 27503 1 914 . 1 1 121 121 ILE H H 1 8.978 0.009 . 1 . . 85 . . 121 ILE H . 27503 1 915 . 1 1 121 121 ILE HA H 1 4.576 0.02 . 1 . . 2770 . . 121 ILE HA . 27503 1 916 . 1 1 121 121 ILE HB H 1 1.917 0.019 . 1 . . 2771 . . 121 ILE HB . 27503 1 917 . 1 1 121 121 ILE HG21 H 1 0.944 0.01 . 1 . . 3000 . . 121 ILE HG21 . 27503 1 918 . 1 1 121 121 ILE HG22 H 1 0.944 0.01 . 1 . . 3000 . . 121 ILE HG22 . 27503 1 919 . 1 1 121 121 ILE HG23 H 1 0.944 0.01 . 1 . . 3000 . . 121 ILE HG23 . 27503 1 920 . 1 1 121 121 ILE C C 13 175.320 0.006 . 1 . . 614 . . 121 ILE C . 27503 1 921 . 1 1 121 121 ILE CA C 13 57.659 0.033 . 1 . . 398 . . 121 ILE CA . 27503 1 922 . 1 1 121 121 ILE CB C 13 37.143 0.073 . 1 . . 397 . . 121 ILE CB . 27503 1 923 . 1 1 121 121 ILE CD1 C 13 15.612 0.016 . 1 . . 1053 . . 121 ILE CD1 . 27503 1 924 . 1 1 121 121 ILE N N 15 121.803 0.031 . 1 . . 86 . . 121 ILE N . 27503 1 925 . 1 1 122 122 GLY H H 1 7.412 0.003 . 1 . . 300 . . 122 GLY H . 27503 1 926 . 1 1 122 122 GLY HA2 H 1 4.095 0.004 . 2 . . 2768 . . 122 GLY HA2 . 27503 1 927 . 1 1 122 122 GLY HA3 H 1 4.168 0.002 . 2 . . 2769 . . 122 GLY HA3 . 27503 1 928 . 1 1 122 122 GLY C C 13 170.618 0.025 . 1 . . 697 . . 122 GLY C . 27503 1 929 . 1 1 122 122 GLY CA C 13 43.238 0.017 . 1 . . 533 . . 122 GLY CA . 27503 1 930 . 1 1 122 122 GLY N N 15 107.706 0.031 . 1 . . 301 . . 122 GLY N . 27503 1 931 . 1 1 123 123 VAL H H 1 8.327 0.011 . 1 . . 174 . . 123 VAL H . 27503 1 932 . 1 1 123 123 VAL HA H 1 4.687 0.013 . 1 . . 2764 . . 123 VAL HA . 27503 1 933 . 1 1 123 123 VAL HG11 H 1 0.552 0.009 . 1 . . 2765 . . 123 VAL HG11 . 27503 1 934 . 1 1 123 123 VAL HG12 H 1 0.552 0.009 . 1 . . 2765 . . 123 VAL HG12 . 27503 1 935 . 1 1 123 123 VAL HG13 H 1 0.552 0.009 . 1 . . 2765 . . 123 VAL HG13 . 27503 1 936 . 1 1 123 123 VAL C C 13 173.780 0.002 . 1 . . 650 . . 123 VAL C . 27503 1 937 . 1 1 123 123 VAL CA C 13 57.666 0.031 . 1 . . 461 . . 123 VAL CA . 27503 1 938 . 1 1 123 123 VAL CB C 13 32.252 0.058 . 1 . . 460 . . 123 VAL CB . 27503 1 939 . 1 1 123 123 VAL CG1 C 13 18.357 0.002 . 1 . . 1052 . . 123 VAL CG1 . 27503 1 940 . 1 1 123 123 VAL N N 15 118.100 0.097 . 1 . . 175 . . 123 VAL N . 27503 1 941 . 1 1 124 124 GLU H H 1 9.196 0.012 . 1 . . 61 . . 124 GLU H . 27503 1 942 . 1 1 124 124 GLU HA H 1 4.602 0.019 . 1 . . 2763 . . 124 GLU HA . 27503 1 943 . 1 1 124 124 GLU HB2 H 1 1.792 0.011 . 2 . . 2766 . . 124 GLU HB2 . 27503 1 944 . 1 1 124 124 GLU HB3 H 1 2.012 0.008 . 2 . . 2767 . . 124 GLU HB3 . 27503 1 945 . 1 1 124 124 GLU C C 13 175.865 0.009 . 1 . . 594 . . 124 GLU C . 27503 1 946 . 1 1 124 124 GLU CA C 13 52.325 0.036 . 1 . . 596 . . 124 GLU CA . 27503 1 947 . 1 1 124 124 GLU CB C 13 29.664 0.03 . 1 . . 381 . . 124 GLU CB . 27503 1 948 . 1 1 124 124 GLU CG C 13 33.637 . . 1 . . 1050 . . 124 GLU CG . 27503 1 949 . 1 1 124 124 GLU N N 15 125.813 0.127 . 1 . . 62 . . 124 GLU N . 27503 1 950 . 1 1 125 125 LEU H H 1 8.810 0.006 . 1 . . 51 . . 125 LEU H . 27503 1 951 . 1 1 125 125 LEU HA H 1 4.503 0.004 . 1 . . 3172 . . 125 LEU HA . 27503 1 952 . 1 1 125 125 LEU HB2 H 1 1.586 0.004 . 1 . . 2999 . . 125 LEU HB2 . 27503 1 953 . 1 1 125 125 LEU C C 13 174.680 . . 1 . . 587 . . 125 LEU C . 27503 1 954 . 1 1 125 125 LEU CA C 13 50.735 0.031 . 1 . . 373 . . 125 LEU CA . 27503 1 955 . 1 1 125 125 LEU CB C 13 39.018 0.001 . 1 . . 372 . . 125 LEU CB . 27503 1 956 . 1 1 125 125 LEU N N 15 128.344 0.018 . 1 . . 52 . . 125 LEU N . 27503 1 957 . 1 1 126 126 PRO HA H 1 4.519 0.013 . 1 . . 2761 . . 126 PRO HA . 27503 1 958 . 1 1 126 126 PRO HB2 H 1 2.154 0.018 . 1 . . 2762 . . 126 PRO HB2 . 27503 1 959 . 1 1 126 126 PRO C C 13 175.920 0.048 . 1 . . 813 . . 126 PRO C . 27503 1 960 . 1 1 126 126 PRO CA C 13 60.020 0.049 . 1 . . 814 . . 126 PRO CA . 27503 1 961 . 1 1 126 126 PRO CB C 13 29.213 0.013 . 1 . . 812 . . 126 PRO CB . 27503 1 962 . 1 1 127 127 LYS H H 1 8.587 0.01 . 1 . . 103 . . 127 LYS H . 27503 1 963 . 1 1 127 127 LYS HA H 1 3.767 0.008 . 1 . . 2759 . . 127 LYS HA . 27503 1 964 . 1 1 127 127 LYS HB2 H 1 1.844 0.009 . 1 . . 2760 . . 127 LYS HB2 . 27503 1 965 . 1 1 127 127 LYS C C 13 177.120 0.003 . 1 . . 622 . . 127 LYS C . 27503 1 966 . 1 1 127 127 LYS CA C 13 56.439 0.03 . 1 . . 413 . . 127 LYS CA . 27503 1 967 . 1 1 127 127 LYS CB C 13 30.075 0.165 . 1 . . 623 . . 127 LYS CB . 27503 1 968 . 1 1 127 127 LYS CG C 13 22.727 . . 1 . . 1065 . . 127 LYS CG . 27503 1 969 . 1 1 127 127 LYS CD C 13 26.351 . . 1 . . 1064 . . 127 LYS CD . 27503 1 970 . 1 1 127 127 LYS N N 15 120.288 0.027 . 1 . . 104 . . 127 LYS N . 27503 1 971 . 1 1 128 128 THR H H 1 7.418 0.01 . 1 . . 199 . . 128 THR H . 27503 1 972 . 1 1 128 128 THR HA H 1 5.429 0.015 . 1 . . 2757 . . 128 THR HA . 27503 1 973 . 1 1 128 128 THR HB H 1 3.955 0.014 . 1 . . 2758 . . 128 THR HB . 27503 1 974 . 1 1 128 128 THR HG21 H 1 0.963 0.009 . 1 . . 2997 . . 128 THR HG21 . 27503 1 975 . 1 1 128 128 THR HG22 H 1 0.963 0.009 . 1 . . 2997 . . 128 THR HG22 . 27503 1 976 . 1 1 128 128 THR HG23 H 1 0.963 0.009 . 1 . . 2997 . . 128 THR HG23 . 27503 1 977 . 1 1 128 128 THR C C 13 172.965 0.005 . 1 . . 662 . . 128 THR C . 27503 1 978 . 1 1 128 128 THR CA C 13 55.944 0.015 . 1 . . 475 . . 128 THR CA . 27503 1 979 . 1 1 128 128 THR CB C 13 69.373 0.026 . 1 . . 474 . . 128 THR CB . 27503 1 980 . 1 1 128 128 THR CG2 C 13 19.635 0.007 . 1 . . 1063 . . 128 THR CG2 . 27503 1 981 . 1 1 128 128 THR N N 15 105.201 0.073 . 1 . . 200 . . 128 THR N . 27503 1 982 . 1 1 129 129 VAL H H 1 8.527 0.007 . 1 . . 213 . . 129 VAL H . 27503 1 983 . 1 1 129 129 VAL HA H 1 4.628 0.013 . 1 . . 2755 . . 129 VAL HA . 27503 1 984 . 1 1 129 129 VAL HB H 1 1.996 0.015 . 1 . . 2756 . . 129 VAL HB . 27503 1 985 . 1 1 129 129 VAL HG11 H 1 0.902 0.018 . 2 . . 2995 . . 129 VAL HG11 . 27503 1 986 . 1 1 129 129 VAL HG12 H 1 0.902 0.018 . 2 . . 2995 . . 129 VAL HG12 . 27503 1 987 . 1 1 129 129 VAL HG13 H 1 0.902 0.018 . 2 . . 2995 . . 129 VAL HG13 . 27503 1 988 . 1 1 129 129 VAL HG21 H 1 0.699 0.007 . 2 . . 2996 . . 129 VAL HG21 . 27503 1 989 . 1 1 129 129 VAL HG22 H 1 0.699 0.007 . 2 . . 2996 . . 129 VAL HG22 . 27503 1 990 . 1 1 129 129 VAL HG23 H 1 0.699 0.007 . 2 . . 2996 . . 129 VAL HG23 . 27503 1 991 . 1 1 129 129 VAL C C 13 173.028 0.007 . 1 . . 666 . . 129 VAL C . 27503 1 992 . 1 1 129 129 VAL CA C 13 56.618 0.028 . 1 . . 482 . . 129 VAL CA . 27503 1 993 . 1 1 129 129 VAL CB C 13 33.538 0.061 . 1 . . 483 . . 129 VAL CB . 27503 1 994 . 1 1 129 129 VAL CG1 C 13 16.736 0.008 . 2 . . 1062 . . 129 VAL CG1 . 27503 1 995 . 1 1 129 129 VAL CG2 C 13 19.416 0.002 . 2 . . 1061 . . 129 VAL CG2 . 27503 1 996 . 1 1 129 129 VAL N N 15 113.590 0.02 . 1 . . 214 . . 129 VAL N . 27503 1 997 . 1 1 130 130 GLU H H 1 8.032 0.007 . 1 . . 63 . . 130 GLU H . 27503 1 998 . 1 1 130 130 GLU HA H 1 5.476 0.024 . 1 . . 2754 . . 130 GLU HA . 27503 1 999 . 1 1 130 130 GLU HB2 H 1 2.027 0.001 . 2 . . 2992 . . 130 GLU HB2 . 27503 1 1000 . 1 1 130 130 GLU HB3 H 1 1.884 0.001 . 2 . . 2993 . . 130 GLU HB3 . 27503 1 1001 . 1 1 130 130 GLU HG2 H 1 2.231 . . 1 . . 2994 . . 130 GLU HG2 . 27503 1 1002 . 1 1 130 130 GLU C C 13 176.452 0.009 . 1 . . 599 . . 130 GLU C . 27503 1 1003 . 1 1 130 130 GLU CA C 13 51.728 0.03 . 1 . . 382 . . 130 GLU CA . 27503 1 1004 . 1 1 130 130 GLU CB C 13 27.816 0.075 . 1 . . 383 . . 130 GLU CB . 27503 1 1005 . 1 1 130 130 GLU N N 15 122.044 0.027 . 1 . . 64 . . 130 GLU N . 27503 1 1006 . 1 1 131 131 LEU H H 1 8.947 0.006 . 1 . . 253 . . 131 LEU H . 27503 1 1007 . 1 1 131 131 LEU HA H 1 5.149 0.013 . 1 . . 2752 . . 131 LEU HA . 27503 1 1008 . 1 1 131 131 LEU HB2 H 1 1.758 0.01 . 1 . . 2753 . . 131 LEU HB2 . 27503 1 1009 . 1 1 131 131 LEU HD11 H 1 0.797 . . 1 . . 2991 . . 131 LEU HD11 . 27503 1 1010 . 1 1 131 131 LEU HD12 H 1 0.797 . . 1 . . 2991 . . 131 LEU HD12 . 27503 1 1011 . 1 1 131 131 LEU HD13 H 1 0.797 . . 1 . . 2991 . . 131 LEU HD13 . 27503 1 1012 . 1 1 131 131 LEU C C 13 175.839 . . 1 . . 796 . . 131 LEU C . 27503 1 1013 . 1 1 131 131 LEU CA C 13 50.458 0.036 . 1 . . 508 . . 131 LEU CA . 27503 1 1014 . 1 1 131 131 LEU CB C 13 45.056 0.056 . 1 . . 509 . . 131 LEU CB . 27503 1 1015 . 1 1 131 131 LEU N N 15 122.763 0.025 . 1 . . 254 . . 131 LEU N . 27503 1 1016 . 1 1 132 132 THR H H 1 9.746 0.012 . 1 . . 87 . . 132 THR H . 27503 1 1017 . 1 1 132 132 THR HA H 1 4.791 0.009 . 1 . . 3173 . . 132 THR HA . 27503 1 1018 . 1 1 132 132 THR HB H 1 4.281 0.007 . 1 . . 2751 . . 132 THR HB . 27503 1 1019 . 1 1 132 132 THR HG21 H 1 1.084 0.01 . 1 . . 2990 . . 132 THR HG21 . 27503 1 1020 . 1 1 132 132 THR HG22 H 1 1.084 0.01 . 1 . . 2990 . . 132 THR HG22 . 27503 1 1021 . 1 1 132 132 THR HG23 H 1 1.084 0.01 . 1 . . 2990 . . 132 THR HG23 . 27503 1 1022 . 1 1 132 132 THR C C 13 175.216 0.025 . 1 . . 615 . . 132 THR C . 27503 1 1023 . 1 1 132 132 THR CA C 13 60.760 0.047 . 1 . . 399 . . 132 THR CA . 27503 1 1024 . 1 1 132 132 THR CB C 13 67.142 0.061 . 1 . . 400 . . 132 THR CB . 27503 1 1025 . 1 1 132 132 THR CG2 C 13 19.159 0.007 . 1 . . 1051 . . 132 THR CG2 . 27503 1 1026 . 1 1 132 132 THR N N 15 120.507 0.067 . 1 . . 88 . . 132 THR N . 27503 1 1027 . 1 1 133 133 VAL H H 1 9.198 0.011 . 1 . . 592 . . 133 VAL H . 27503 1 1028 . 1 1 133 133 VAL HA H 1 4.031 0.038 . 1 . . 2750 . . 133 VAL HA . 27503 1 1029 . 1 1 133 133 VAL HB H 1 1.899 0.002 . 1 . . 2989 . . 133 VAL HB . 27503 1 1030 . 1 1 133 133 VAL HG11 H 1 0.966 0.012 . 2 . . 2943 . . 133 VAL HG11 . 27503 1 1031 . 1 1 133 133 VAL HG12 H 1 0.966 0.012 . 2 . . 2943 . . 133 VAL HG12 . 27503 1 1032 . 1 1 133 133 VAL HG13 H 1 0.966 0.012 . 2 . . 2943 . . 133 VAL HG13 . 27503 1 1033 . 1 1 133 133 VAL HG21 H 1 0.778 0.014 . 2 . . 2988 . . 133 VAL HG21 . 27503 1 1034 . 1 1 133 133 VAL HG22 H 1 0.778 0.014 . 2 . . 2988 . . 133 VAL HG22 . 27503 1 1035 . 1 1 133 133 VAL HG23 H 1 0.778 0.014 . 2 . . 2988 . . 133 VAL HG23 . 27503 1 1036 . 1 1 133 133 VAL C C 13 176.539 0.016 . 1 . . 597 . . 133 VAL C . 27503 1 1037 . 1 1 133 133 VAL CA C 13 61.202 0.04 . 1 . . 598 . . 133 VAL CA . 27503 1 1038 . 1 1 133 133 VAL CG1 C 13 20.303 0.001 . 1 . . 1060 . . 133 VAL CG1 . 27503 1 1039 . 1 1 133 133 VAL N N 15 125.922 0.127 . 1 . . 593 . . 133 VAL N . 27503 1 1040 . 1 1 134 134 THR H H 1 9.420 0.009 . 1 . . 45 . . 134 THR H . 27503 1 1041 . 1 1 134 134 THR HA H 1 4.428 0.008 . 1 . . 2689 . . 134 THR HA . 27503 1 1042 . 1 1 134 134 THR HB H 1 4.145 0.006 . 1 . . 2749 . . 134 THR HB . 27503 1 1043 . 1 1 134 134 THR HG21 H 1 0.785 0.011 . 1 . . 2987 . . 134 THR HG21 . 27503 1 1044 . 1 1 134 134 THR HG22 H 1 0.785 0.011 . 1 . . 2987 . . 134 THR HG22 . 27503 1 1045 . 1 1 134 134 THR HG23 H 1 0.785 0.011 . 1 . . 2987 . . 134 THR HG23 . 27503 1 1046 . 1 1 134 134 THR C C 13 175.026 . . 1 . . 963 . . 134 THR C . 27503 1 1047 . 1 1 134 134 THR CA C 13 59.703 0.024 . 1 . . 718 . . 134 THR CA . 27503 1 1048 . 1 1 134 134 THR CB C 13 65.841 0.014 . 1 . . 965 . . 134 THR CB . 27503 1 1049 . 1 1 134 134 THR CG2 C 13 20.211 . . 1 . . 1059 . . 134 THR CG2 . 27503 1 1050 . 1 1 134 134 THR N N 15 123.284 0.051 . 1 . . 46 . . 134 THR N . 27503 1 1051 . 1 1 135 135 GLU H H 1 7.590 0.005 . 1 . . 311 . . 135 GLU H . 27503 1 1052 . 1 1 135 135 GLU HA H 1 4.930 0.013 . 1 . . 2697 . . 135 GLU HA . 27503 1 1053 . 1 1 135 135 GLU HB2 H 1 1.890 0.007 . 1 . . 2986 . . 135 GLU HB2 . 27503 1 1054 . 1 1 135 135 GLU C C 13 174.703 0.009 . 1 . . 699 . . 135 GLU C . 27503 1 1055 . 1 1 135 135 GLU CA C 13 53.694 0.05 . 1 . . 539 . . 135 GLU CA . 27503 1 1056 . 1 1 135 135 GLU CB C 13 30.735 0.052 . 1 . . 540 . . 135 GLU CB . 27503 1 1057 . 1 1 135 135 GLU CG C 13 33.713 . . 1 . . 1058 . . 135 GLU CG . 27503 1 1058 . 1 1 135 135 GLU N N 15 121.111 0.056 . 1 . . 312 . . 135 GLU N . 27503 1 1059 . 1 1 136 136 THR H H 1 8.712 0.014 . 1 . . 551 . . 136 THR H . 27503 1 1060 . 1 1 136 136 THR HA H 1 4.298 0.02 . 1 . . 2748 . . 136 THR HA . 27503 1 1061 . 1 1 136 136 THR HB H 1 4.314 0.006 . 1 . . 2747 . . 136 THR HB . 27503 1 1062 . 1 1 136 136 THR C C 13 172.370 0.054 . 1 . . 706 . . 136 THR C . 27503 1 1063 . 1 1 136 136 THR CA C 13 59.200 0.041 . 1 . . 553 . . 136 THR CA . 27503 1 1064 . 1 1 136 136 THR CB C 13 66.285 0.07 . 1 . . 554 . . 136 THR CB . 27503 1 1065 . 1 1 136 136 THR CG2 C 13 17.031 . . 1 . . 1057 . . 136 THR CG2 . 27503 1 1066 . 1 1 136 136 THR N N 15 118.157 0.048 . 1 . . 552 . . 136 THR N . 27503 1 1067 . 1 1 137 137 GLU H H 1 8.172 0.003 . 1 . . 97 . . 137 GLU H . 27503 1 1068 . 1 1 137 137 GLU HA H 1 4.612 0.0 . 1 . . 3174 . . 137 GLU HA . 27503 1 1069 . 1 1 137 137 GLU HB2 H 1 2.079 0.001 . 2 . . 2984 . . 137 GLU HB2 . 27503 1 1070 . 1 1 137 137 GLU HB3 H 1 1.906 0.009 . 2 . . 2985 . . 137 GLU HB3 . 27503 1 1071 . 1 1 137 137 GLU HG2 H 1 2.314 . . 1 . . 2983 . . 137 GLU HG2 . 27503 1 1072 . 1 1 137 137 GLU C C 13 174.177 . . 1 . . 620 . . 137 GLU C . 27503 1 1073 . 1 1 137 137 GLU CA C 13 52.166 0.017 . 1 . . 407 . . 137 GLU CA . 27503 1 1074 . 1 1 137 137 GLU CB C 13 27.395 0.01 . 1 . . 408 . . 137 GLU CB . 27503 1 1075 . 1 1 137 137 GLU N N 15 125.049 0.069 . 1 . . 98 . . 137 GLU N . 27503 1 1076 . 1 1 138 138 PRO C C 13 177.811 0.009 . 1 . . 896 . . 138 PRO C . 27503 1 1077 . 1 1 138 138 PRO CA C 13 61.250 0.039 . 1 . . 897 . . 138 PRO CA . 27503 1 1078 . 1 1 138 138 PRO CB C 13 29.532 0.039 . 1 . . 895 . . 138 PRO CB . 27503 1 1079 . 1 1 139 139 GLY H H 1 8.478 0.002 . 1 . . 217 . . 139 GLY H . 27503 1 1080 . 1 1 139 139 GLY C C 13 173.700 . . 1 . . 668 . . 139 GLY C . 27503 1 1081 . 1 1 139 139 GLY CA C 13 42.929 0.019 . 1 . . 486 . . 139 GLY CA . 27503 1 1082 . 1 1 139 139 GLY N N 15 109.584 0.017 . 1 . . 218 . . 139 GLY N . 27503 1 1083 . 1 1 148 148 ALA HA H 1 4.399 0.012 . 1 . . 2745 . . 148 ALA HA . 27503 1 1084 . 1 1 148 148 ALA HB1 H 1 1.398 0.027 . 1 . . 2746 . . 148 ALA HB1 . 27503 1 1085 . 1 1 148 148 ALA HB2 H 1 1.398 0.027 . 1 . . 2746 . . 148 ALA HB2 . 27503 1 1086 . 1 1 148 148 ALA HB3 H 1 1.398 0.027 . 1 . . 2746 . . 148 ALA HB3 . 27503 1 1087 . 1 1 148 148 ALA C C 13 177.136 0.008 . 1 . . 862 . . 148 ALA C . 27503 1 1088 . 1 1 148 148 ALA CA C 13 49.885 0.036 . 1 . . 860 . . 148 ALA CA . 27503 1 1089 . 1 1 148 148 ALA CB C 13 17.346 0.07 . 1 . . 861 . . 148 ALA CB . 27503 1 1090 . 1 1 149 149 THR H H 1 7.879 0.003 . 1 . . 168 . . 149 THR H . 27503 1 1091 . 1 1 149 149 THR HA H 1 4.775 0.024 . 1 . . 2698 . . 149 THR HA . 27503 1 1092 . 1 1 149 149 THR HB H 1 3.928 0.007 . 1 . . 2696 . . 149 THR HB . 27503 1 1093 . 1 1 149 149 THR HG21 H 1 0.829 0.004 . 1 . . 2982 . . 149 THR HG21 . 27503 1 1094 . 1 1 149 149 THR HG22 H 1 0.829 0.004 . 1 . . 2982 . . 149 THR HG22 . 27503 1 1095 . 1 1 149 149 THR HG23 H 1 0.829 0.004 . 1 . . 2982 . . 149 THR HG23 . 27503 1 1096 . 1 1 149 149 THR C C 13 172.901 0.002 . 1 . . 1002 . . 149 THR C . 27503 1 1097 . 1 1 149 149 THR CA C 13 56.680 0.105 . 1 . . 1001 . . 149 THR CA . 27503 1 1098 . 1 1 149 149 THR CB C 13 70.568 0.029 . 1 . . 1003 . . 149 THR CB . 27503 1 1099 . 1 1 149 149 THR CG2 C 13 18.500 0.007 . 1 . . 2503 . . 149 THR CG2 . 27503 1 1100 . 1 1 149 149 THR N N 15 109.542 0.015 . 1 . . 169 . . 149 THR N . 27503 1 1101 . 1 1 150 150 LYS H H 1 9.080 0.008 . 1 . . 673 . . 150 LYS H . 27503 1 1102 . 1 1 150 150 LYS HA H 1 4.727 0.018 . 1 . . 2744 . . 150 LYS HA . 27503 1 1103 . 1 1 150 150 LYS HB2 H 1 1.691 0.001 . 1 . . 3229 . . 150 LYS HB2 . 27503 1 1104 . 1 1 150 150 LYS C C 13 174.160 0.021 . 1 . . 676 . . 150 LYS C . 27503 1 1105 . 1 1 150 150 LYS CA C 13 51.117 0.028 . 1 . . 675 . . 150 LYS CA . 27503 1 1106 . 1 1 150 150 LYS CB C 13 33.327 0.09 . 1 . . 677 . . 150 LYS CB . 27503 1 1107 . 1 1 150 150 LYS N N 15 117.176 0.044 . 1 . . 674 . . 150 LYS N . 27503 1 1108 . 1 1 151 151 SER H H 1 8.533 0.007 . 1 . . 101 . . 151 SER H . 27503 1 1109 . 1 1 151 151 SER HA H 1 4.692 0.004 . 1 . . 3077 . . 151 SER HA . 27503 1 1110 . 1 1 151 151 SER HB2 H 1 3.604 0.005 . 1 . . 2743 . . 151 SER HB2 . 27503 1 1111 . 1 1 151 151 SER C C 13 174.591 0.044 . 1 . . 2504 . . 151 SER C . 27503 1 1112 . 1 1 151 151 SER CA C 13 56.194 0.011 . 1 . . 412 . . 151 SER CA . 27503 1 1113 . 1 1 151 151 SER CB C 13 61.428 0.022 . 1 . . 411 . . 151 SER CB . 27503 1 1114 . 1 1 151 151 SER N N 15 114.858 0.051 . 1 . . 102 . . 151 SER N . 27503 1 1115 . 1 1 152 152 ALA H H 1 9.189 0.008 . 1 . . 5 . . 152 ALA H . 27503 1 1116 . 1 1 152 152 ALA HA H 1 4.924 0.008 . 1 . . 2740 . . 152 ALA HA . 27503 1 1117 . 1 1 152 152 ALA HB1 H 1 1.221 0.006 . 1 . . 2741 . . 152 ALA HB1 . 27503 1 1118 . 1 1 152 152 ALA HB2 H 1 1.221 0.006 . 1 . . 2741 . . 152 ALA HB2 . 27503 1 1119 . 1 1 152 152 ALA HB3 H 1 1.221 0.006 . 1 . . 2741 . . 152 ALA HB3 . 27503 1 1120 . 1 1 152 152 ALA C C 13 174.541 . . 1 . . 991 . . 152 ALA C . 27503 1 1121 . 1 1 152 152 ALA CA C 13 48.588 0.035 . 1 . . 351 . . 152 ALA CA . 27503 1 1122 . 1 1 152 152 ALA CB C 13 20.215 0.004 . 1 . . 350 . . 152 ALA CB . 27503 1 1123 . 1 1 152 152 ALA N N 15 126.587 0.036 . 1 . . 6 . . 152 ALA N . 27503 1 1124 . 1 1 153 153 THR H H 1 9.103 0.011 . 1 . . 562 . . 153 THR H . 27503 1 1125 . 1 1 153 153 THR HA H 1 5.112 0.002 . 1 . . 3175 . . 153 THR HA . 27503 1 1126 . 1 1 153 153 THR HB H 1 3.774 0.005 . 1 . . 2738 . . 153 THR HB . 27503 1 1127 . 1 1 153 153 THR C C 13 175.149 . . 1 . . 2582 . . 153 THR C . 27503 1 1128 . 1 1 153 153 THR CA C 13 58.736 0.076 . 1 . . 564 . . 153 THR CA . 27503 1 1129 . 1 1 153 153 THR CB C 13 68.027 0.008 . 1 . . 566 . . 153 THR CB . 27503 1 1130 . 1 1 153 153 THR CG2 C 13 19.050 . . 1 . . 2587 . . 153 THR CG2 . 27503 1 1131 . 1 1 153 153 THR N N 15 118.109 0.027 . 1 . . 563 . . 153 THR N . 27503 1 1132 . 1 1 154 154 VAL H H 1 8.751 0.018 . 1 . . 2575 . . 154 VAL H . 27503 1 1133 . 1 1 154 154 VAL HA H 1 4.256 0.008 . 1 . . 2981 . . 154 VAL HA . 27503 1 1134 . 1 1 154 154 VAL HB H 1 1.957 0.004 . 1 . . 3224 . . 154 VAL HB . 27503 1 1135 . 1 1 154 154 VAL HG11 H 1 1.190 0.001 . 1 . . 2980 . . 154 VAL HG11 . 27503 1 1136 . 1 1 154 154 VAL HG12 H 1 1.190 0.001 . 1 . . 2980 . . 154 VAL HG12 . 27503 1 1137 . 1 1 154 154 VAL HG13 H 1 1.190 0.001 . 1 . . 2980 . . 154 VAL HG13 . 27503 1 1138 . 1 1 154 154 VAL C C 13 179.784 . . 1 . . 2612 . . 154 VAL C . 27503 1 1139 . 1 1 154 154 VAL CA C 13 56.859 0.024 . 1 . . 2577 . . 154 VAL CA . 27503 1 1140 . 1 1 154 154 VAL CB C 13 31.956 0.023 . 1 . . 2581 . . 154 VAL CB . 27503 1 1141 . 1 1 154 154 VAL N N 15 117.061 0.063 . 1 . . 2576 . . 154 VAL N . 27503 1 1142 . 1 1 155 155 GLU H H 1 8.381 0.007 . 1 . . 144 . . 155 GLU H . 27503 1 1143 . 1 1 155 155 GLU HA H 1 4.271 0.004 . 1 . . 2737 . . 155 GLU HA . 27503 1 1144 . 1 1 155 155 GLU HB2 H 1 2.035 0.004 . 1 . . 3228 . . 155 GLU HB2 . 27503 1 1145 . 1 1 155 155 GLU HG2 H 1 2.445 0.009 . 2 . . 2978 . . 155 GLU HG2 . 27503 1 1146 . 1 1 155 155 GLU HG3 H 1 2.312 0.001 . 2 . . 2979 . . 155 GLU HG3 . 27503 1 1147 . 1 1 155 155 GLU C C 13 175.189 . . 1 . . 2583 . . 155 GLU C . 27503 1 1148 . 1 1 155 155 GLU CA C 13 56.296 0.079 . 1 . . 875 . . 155 GLU CA . 27503 1 1149 . 1 1 155 155 GLU CB C 13 27.997 0.005 . 1 . . 911 . . 155 GLU CB . 27503 1 1150 . 1 1 155 155 GLU N N 15 115.930 0.036 . 1 . . 145 . . 155 GLU N . 27503 1 1151 . 1 1 156 156 THR H H 1 6.720 0.008 . 1 . . 235 . . 156 THR H . 27503 1 1152 . 1 1 156 156 THR HA H 1 4.475 0.006 . 1 . . 2735 . . 156 THR HA . 27503 1 1153 . 1 1 156 156 THR HB H 1 3.813 . . 1 . . 2736 . . 156 THR HB . 27503 1 1154 . 1 1 156 156 THR HG21 H 1 1.167 0.017 . 1 . . 2977 . . 156 THR HG21 . 27503 1 1155 . 1 1 156 156 THR HG22 H 1 1.167 0.017 . 1 . . 2977 . . 156 THR HG22 . 27503 1 1156 . 1 1 156 156 THR HG23 H 1 1.167 0.017 . 1 . . 2977 . . 156 THR HG23 . 27503 1 1157 . 1 1 156 156 THR C C 13 175.850 . . 1 . . 2510 . . 156 THR C . 27503 1 1158 . 1 1 156 156 THR CA C 13 59.124 0.07 . 1 . . 497 . . 156 THR CA . 27503 1 1159 . 1 1 156 156 THR CB C 13 67.338 0.054 . 1 . . 496 . . 156 THR CB . 27503 1 1160 . 1 1 156 156 THR CG2 C 13 21.098 0.0 . 1 . . 2586 . . 156 THR CG2 . 27503 1 1161 . 1 1 156 156 THR N N 15 108.231 0.031 . 1 . . 236 . . 156 THR N . 27503 1 1162 . 1 1 157 157 GLY H H 1 8.893 0.008 . 1 . . 262 . . 157 GLY H . 27503 1 1163 . 1 1 157 157 GLY HA2 H 1 4.475 0.005 . 2 . . 2734 . . 157 GLY HA2 . 27503 1 1164 . 1 1 157 157 GLY HA3 H 1 3.490 0.003 . 2 . . 2939 . . 157 GLY HA3 . 27503 1 1165 . 1 1 157 157 GLY C C 13 173.087 . . 1 . . 818 . . 157 GLY C . 27503 1 1166 . 1 1 157 157 GLY CA C 13 41.944 0.038 . 1 . . 512 . . 157 GLY CA . 27503 1 1167 . 1 1 157 157 GLY N N 15 110.982 0.06 . 1 . . 263 . . 157 GLY N . 27503 1 1168 . 1 1 158 158 TYR H H 1 7.050 0.004 . 1 . . 107 . . 158 TYR H . 27503 1 1169 . 1 1 158 158 TYR HA H 1 4.475 0.026 . 1 . . 2732 . . 158 TYR HA . 27503 1 1170 . 1 1 158 158 TYR HB2 H 1 3.063 0.004 . 1 . . 2733 . . 158 TYR HB2 . 27503 1 1171 . 1 1 158 158 TYR HD1 H 1 6.842 0.004 . 1 . . 2975 . . 158 TYR HD1 . 27503 1 1172 . 1 1 158 158 TYR HD2 H 1 6.842 0.004 . 1 . . 2975 . . 158 TYR HD2 . 27503 1 1173 . 1 1 158 158 TYR C C 13 173.093 0.015 . 1 . . 625 . . 158 TYR C . 27503 1 1174 . 1 1 158 158 TYR CA C 13 54.780 0.033 . 1 . . 416 . . 158 TYR CA . 27503 1 1175 . 1 1 158 158 TYR CB C 13 37.060 0.06 . 1 . . 417 . . 158 TYR CB . 27503 1 1176 . 1 1 158 158 TYR CD1 C 13 131.957 . . 1 . . 2976 . . 158 TYR CD1 . 27503 1 1177 . 1 1 158 158 TYR CD2 C 13 131.957 . . 1 . . 2976 . . 158 TYR CD2 . 27503 1 1178 . 1 1 158 158 TYR N N 15 121.835 0.017 . 1 . . 108 . . 158 TYR N . 27503 1 1179 . 1 1 159 159 THR H H 1 7.255 0.003 . 1 . . 211 . . 159 THR H . 27503 1 1180 . 1 1 159 159 THR HA H 1 5.218 0.006 . 1 . . 2970 . . 159 THR HA . 27503 1 1181 . 1 1 159 159 THR HB H 1 3.648 0.009 . 1 . . 2731 . . 159 THR HB . 27503 1 1182 . 1 1 159 159 THR C C 13 171.560 0.018 . 1 . . 665 . . 159 THR C . 27503 1 1183 . 1 1 159 159 THR CA C 13 58.054 0.079 . 1 . . 481 . . 159 THR CA . 27503 1 1184 . 1 1 159 159 THR CB C 13 68.089 0.024 . 1 . . 480 . . 159 THR CB . 27503 1 1185 . 1 1 159 159 THR CG2 C 13 18.908 . . 1 . . 2585 . . 159 THR CG2 . 27503 1 1186 . 1 1 159 159 THR N N 15 123.651 0.035 . 1 . . 212 . . 159 THR N . 27503 1 1187 . 1 1 160 160 LEU H H 1 8.884 0.006 . 1 . . 156 . . 160 LEU H . 27503 1 1188 . 1 1 160 160 LEU HA H 1 4.577 0.003 . 1 . . 2730 . . 160 LEU HA . 27503 1 1189 . 1 1 160 160 LEU HB2 H 1 1.564 0.0 . 1 . . 3230 . . 160 LEU HB2 . 27503 1 1190 . 1 1 160 160 LEU HD11 H 1 0.717 0.01 . 1 . . 2972 . . 160 LEU HD11 . 27503 1 1191 . 1 1 160 160 LEU HD12 H 1 0.717 0.01 . 1 . . 2972 . . 160 LEU HD12 . 27503 1 1192 . 1 1 160 160 LEU HD13 H 1 0.717 0.01 . 1 . . 2972 . . 160 LEU HD13 . 27503 1 1193 . 1 1 160 160 LEU C C 13 173.578 . . 1 . . 956 . . 160 LEU C . 27503 1 1194 . 1 1 160 160 LEU CA C 13 51.873 0.093 . 1 . . 447 . . 160 LEU CA . 27503 1 1195 . 1 1 160 160 LEU CB C 13 40.259 0.057 . 1 . . 448 . . 160 LEU CB . 27503 1 1196 . 1 1 160 160 LEU CD1 C 13 24.431 . . 1 . . 2971 . . 160 LEU CD1 . 27503 1 1197 . 1 1 160 160 LEU N N 15 124.909 0.093 . 1 . . 157 . . 160 LEU N . 27503 1 1198 . 1 1 161 161 ASN H H 1 8.103 0.007 . 1 . . 302 . . 161 ASN H . 27503 1 1199 . 1 1 161 161 ASN HA H 1 5.302 0.021 . 1 . . 2727 . . 161 ASN HA . 27503 1 1200 . 1 1 161 161 ASN HB2 H 1 2.635 0.012 . 1 . . 2969 . . 161 ASN HB2 . 27503 1 1201 . 1 1 161 161 ASN C C 13 175.779 0.018 . 1 . . 698 . . 161 ASN C . 27503 1 1202 . 1 1 161 161 ASN CA C 13 49.698 0.083 . 1 . . 535 . . 161 ASN CA . 27503 1 1203 . 1 1 161 161 ASN CB C 13 36.474 0.079 . 1 . . 534 . . 161 ASN CB . 27503 1 1204 . 1 1 161 161 ASN N N 15 117.474 0.034 . 1 . . 303 . . 161 ASN N . 27503 1 1205 . 1 1 162 162 VAL H H 1 9.288 0.012 . 1 . . 31 . . 162 VAL H . 27503 1 1206 . 1 1 162 162 VAL HA H 1 4.437 0.012 . 1 . . 2967 . . 162 VAL HA . 27503 1 1207 . 1 1 162 162 VAL HB H 1 2.258 0.009 . 1 . . 2966 . . 162 VAL HB . 27503 1 1208 . 1 1 162 162 VAL HG11 H 1 0.546 0.005 . 1 . . 2968 . . 162 VAL HG11 . 27503 1 1209 . 1 1 162 162 VAL HG12 H 1 0.546 0.005 . 1 . . 2968 . . 162 VAL HG12 . 27503 1 1210 . 1 1 162 162 VAL HG13 H 1 0.546 0.005 . 1 . . 2968 . . 162 VAL HG13 . 27503 1 1211 . 1 1 162 162 VAL C C 13 172.013 . . 1 . . 2507 . . 162 VAL C . 27503 1 1212 . 1 1 162 162 VAL CA C 13 54.810 0.005 . 1 . . 362 . . 162 VAL CA . 27503 1 1213 . 1 1 162 162 VAL CB C 13 30.920 0.011 . 1 . . 363 . . 162 VAL CB . 27503 1 1214 . 1 1 162 162 VAL CG1 C 13 21.200 0.0 . 1 . . 713 . . 162 VAL CG1 . 27503 1 1215 . 1 1 162 162 VAL N N 15 115.342 0.06 . 1 . . 32 . . 162 VAL N . 27503 1 1216 . 1 1 163 163 PRO HA H 1 4.281 0.004 . 1 . . 2726 . . 163 PRO HA . 27503 1 1217 . 1 1 163 163 PRO HB2 H 1 2.012 0.003 . 1 . . 2965 . . 163 PRO HB2 . 27503 1 1218 . 1 1 163 163 PRO C C 13 176.833 0.001 . 1 . . 821 . . 163 PRO C . 27503 1 1219 . 1 1 163 163 PRO CA C 13 59.476 0.027 . 1 . . 822 . . 163 PRO CA . 27503 1 1220 . 1 1 163 163 PRO CB C 13 30.004 0.036 . 1 . . 820 . . 163 PRO CB . 27503 1 1221 . 1 1 164 164 LEU H H 1 7.794 0.011 . 1 . . 110 . . 164 LEU H . 27503 1 1222 . 1 1 164 164 LEU HA H 1 3.519 0.012 . 1 . . 2724 . . 164 LEU HA . 27503 1 1223 . 1 1 164 164 LEU HB2 H 1 1.656 0.002 . 1 . . 2725 . . 164 LEU HB2 . 27503 1 1224 . 1 1 164 164 LEU HD11 H 1 0.834 0.007 . 2 . . 2962 . . 164 LEU HD11 . 27503 1 1225 . 1 1 164 164 LEU HD12 H 1 0.834 0.007 . 2 . . 2962 . . 164 LEU HD12 . 27503 1 1226 . 1 1 164 164 LEU HD13 H 1 0.834 0.007 . 2 . . 2962 . . 164 LEU HD13 . 27503 1 1227 . 1 1 164 164 LEU HD21 H 1 0.631 0.004 . 2 . . 2964 . . 164 LEU HD21 . 27503 1 1228 . 1 1 164 164 LEU HD22 H 1 0.631 0.004 . 2 . . 2964 . . 164 LEU HD22 . 27503 1 1229 . 1 1 164 164 LEU HD23 H 1 0.631 0.004 . 2 . . 2964 . . 164 LEU HD23 . 27503 1 1230 . 1 1 164 164 LEU C C 13 177.730 0.011 . 1 . . 950 . . 164 LEU C . 27503 1 1231 . 1 1 164 164 LEU CA C 13 54.908 0.052 . 1 . . 418 . . 164 LEU CA . 27503 1 1232 . 1 1 164 164 LEU CB C 13 38.566 0.065 . 1 . . 419 . . 164 LEU CB . 27503 1 1233 . 1 1 164 164 LEU CD1 C 13 24.244 . . 2 . . 2961 . . 164 LEU CD1 . 27503 1 1234 . 1 1 164 164 LEU CD2 C 13 24.013 . . 2 . . 2963 . . 164 LEU CD2 . 27503 1 1235 . 1 1 164 164 LEU N N 15 114.827 0.033 . 1 . . 111 . . 164 LEU N . 27503 1 1236 . 1 1 165 165 PHE H H 1 6.453 0.011 . 1 . . 298 . . 165 PHE H . 27503 1 1237 . 1 1 165 165 PHE HA H 1 4.496 0.014 . 1 . . 2722 . . 165 PHE HA . 27503 1 1238 . 1 1 165 165 PHE HB2 H 1 3.466 0.013 . 1 . . 2723 . . 165 PHE HB2 . 27503 1 1239 . 1 1 165 165 PHE HD1 H 1 7.106 0.009 . 1 . . 3196 . . 165 PHE HD1 . 27503 1 1240 . 1 1 165 165 PHE HD2 H 1 7.106 0.009 . 1 . . 3196 . . 165 PHE HD2 . 27503 1 1241 . 1 1 165 165 PHE C C 13 175.440 0.021 . 1 . . 696 . . 165 PHE C . 27503 1 1242 . 1 1 165 165 PHE CA C 13 53.557 0.026 . 1 . . 532 . . 165 PHE CA . 27503 1 1243 . 1 1 165 165 PHE CB C 13 35.199 0.049 . 1 . . 531 . . 165 PHE CB . 27503 1 1244 . 1 1 165 165 PHE N N 15 109.997 0.034 . 1 . . 299 . . 165 PHE N . 27503 1 1245 . 1 1 166 166 VAL H H 1 6.730 0.004 . 1 . . 99 . . 166 VAL H . 27503 1 1246 . 1 1 166 166 VAL HA H 1 3.817 0.01 . 1 . . 2720 . . 166 VAL HA . 27503 1 1247 . 1 1 166 166 VAL HB H 1 1.719 0.011 . 1 . . 2958 . . 166 VAL HB . 27503 1 1248 . 1 1 166 166 VAL HG11 H 1 0.680 0.01 . 1 . . 2959 . . 166 VAL HG11 . 27503 1 1249 . 1 1 166 166 VAL HG12 H 1 0.680 0.01 . 1 . . 2959 . . 166 VAL HG12 . 27503 1 1250 . 1 1 166 166 VAL HG13 H 1 0.680 0.01 . 1 . . 2959 . . 166 VAL HG13 . 27503 1 1251 . 1 1 166 166 VAL C C 13 173.702 0.019 . 1 . . 621 . . 166 VAL C . 27503 1 1252 . 1 1 166 166 VAL CA C 13 61.491 0.035 . 1 . . 410 . . 166 VAL CA . 27503 1 1253 . 1 1 166 166 VAL CB C 13 29.350 0.031 . 1 . . 409 . . 166 VAL CB . 27503 1 1254 . 1 1 166 166 VAL CG1 C 13 21.069 0.015 . 1 . . 2960 . . 166 VAL CG1 . 27503 1 1255 . 1 1 166 166 VAL N N 15 122.854 0.018 . 1 . . 100 . . 166 VAL N . 27503 1 1256 . 1 1 167 167 ASN H H 1 9.124 0.006 . 1 . . 604 . . 167 ASN H . 27503 1 1257 . 1 1 167 167 ASN HA H 1 5.046 0.014 . 1 . . 2717 . . 167 ASN HA . 27503 1 1258 . 1 1 167 167 ASN HB2 H 1 2.685 0.011 . 2 . . 2718 . . 167 ASN HB2 . 27503 1 1259 . 1 1 167 167 ASN HB3 H 1 2.610 0.004 . 2 . . 2719 . . 167 ASN HB3 . 27503 1 1260 . 1 1 167 167 ASN C C 13 175.207 0.006 . 1 . . 606 . . 167 ASN C . 27503 1 1261 . 1 1 167 167 ASN CA C 13 48.949 0.013 . 1 . . 719 . . 167 ASN CA . 27503 1 1262 . 1 1 167 167 ASN CB C 13 40.698 0.045 . 1 . . 607 . . 167 ASN CB . 27503 1 1263 . 1 1 167 167 ASN N N 15 126.199 0.06 . 1 . . 605 . . 167 ASN N . 27503 1 1264 . 1 1 168 168 GLU H H 1 8.787 0.002 . 1 . . 148 . . 168 GLU H . 27503 1 1265 . 1 1 168 168 GLU HB2 H 1 1.873 0.005 . 1 . . 2956 . . 168 GLU HB2 . 27503 1 1266 . 1 1 168 168 GLU HG2 H 1 2.292 0.009 . 1 . . 2957 . . 168 GLU HG2 . 27503 1 1267 . 1 1 168 168 GLU C C 13 176.906 0.005 . 1 . . 2500 . . 168 GLU C . 27503 1 1268 . 1 1 168 168 GLU CA C 13 56.163 0.027 . 1 . . 441 . . 168 GLU CA . 27503 1 1269 . 1 1 168 168 GLU CB C 13 26.372 0.004 . 1 . . 442 . . 168 GLU CB . 27503 1 1270 . 1 1 168 168 GLU CG C 13 34.537 0.004 . 1 . . 2499 . . 168 GLU CG . 27503 1 1271 . 1 1 168 168 GLU N N 15 119.915 0.014 . 1 . . 149 . . 168 GLU N . 27503 1 1272 . 1 1 169 169 GLY H H 1 8.789 0.006 . 1 . . 231 . . 169 GLY H . 27503 1 1273 . 1 1 169 169 GLY HA2 H 1 4.395 0.008 . 2 . . 2716 . . 169 GLY HA2 . 27503 1 1274 . 1 1 169 169 GLY HA3 H 1 3.480 0.009 . 2 . . 2955 . . 169 GLY HA3 . 27503 1 1275 . 1 1 169 169 GLY C C 13 174.194 . . 1 . . 2599 . . 169 GLY C . 27503 1 1276 . 1 1 169 169 GLY CA C 13 42.416 0.062 . 1 . . 756 . . 169 GLY CA . 27503 1 1277 . 1 1 169 169 GLY N N 15 113.475 0.021 . 1 . . 232 . . 169 GLY N . 27503 1 1278 . 1 1 170 170 ASP H H 1 7.847 0.003 . 1 . . 37 . . 170 ASP H . 27503 1 1279 . 1 1 170 170 ASP HA H 1 4.629 0.047 . 1 . . 2714 . . 170 ASP HA . 27503 1 1280 . 1 1 170 170 ASP HB2 H 1 2.978 0.015 . 1 . . 2954 . . 170 ASP HB2 . 27503 1 1281 . 1 1 170 170 ASP C C 13 174.912 0.015 . 1 . . 771 . . 170 ASP C . 27503 1 1282 . 1 1 170 170 ASP CA C 13 52.589 0.025 . 1 . . 770 . . 170 ASP CA . 27503 1 1283 . 1 1 170 170 ASP CB C 13 39.052 0.058 . 1 . . 772 . . 170 ASP CB . 27503 1 1284 . 1 1 170 170 ASP N N 15 120.895 0.016 . 1 . . 38 . . 170 ASP N . 27503 1 1285 . 1 1 171 171 VAL H H 1 8.654 0.003 . 1 . . 55 . . 171 VAL H . 27503 1 1286 . 1 1 171 171 VAL HA H 1 4.295 0.055 . 1 . . 2712 . . 171 VAL HA . 27503 1 1287 . 1 1 171 171 VAL HB H 1 1.888 0.001 . 1 . . 2953 . . 171 VAL HB . 27503 1 1288 . 1 1 171 171 VAL C C 13 175.862 0.006 . 1 . . 589 . . 171 VAL C . 27503 1 1289 . 1 1 171 171 VAL CA C 13 59.542 0.104 . 1 . . 376 . . 171 VAL CA . 27503 1 1290 . 1 1 171 171 VAL CB C 13 30.245 0.055 . 1 . . 377 . . 171 VAL CB . 27503 1 1291 . 1 1 171 171 VAL CG1 C 13 19.183 . . 1 . . 2600 . . 171 VAL CG1 . 27503 1 1292 . 1 1 171 171 VAL N N 15 120.743 0.013 . 1 . . 56 . . 171 VAL N . 27503 1 1293 . 1 1 172 172 LEU H H 1 9.305 0.009 . 1 . . 2539 . . 172 LEU H . 27503 1 1294 . 1 1 172 172 LEU HA H 1 4.976 0.007 . 1 . . 2952 . . 172 LEU HA . 27503 1 1295 . 1 1 172 172 LEU HB2 H 1 1.945 0.022 . 1 . . 2711 . . 172 LEU HB2 . 27503 1 1296 . 1 1 172 172 LEU C C 13 174.816 0.009 . 1 . . 2597 . . 172 LEU C . 27503 1 1297 . 1 1 172 172 LEU CA C 13 50.235 0.036 . 1 . . 983 . . 172 LEU CA . 27503 1 1298 . 1 1 172 172 LEU CB C 13 40.951 0.048 . 1 . . 2598 . . 172 LEU CB . 27503 1 1299 . 1 1 172 172 LEU N N 15 126.386 0.072 . 1 . . 2540 . . 172 LEU N . 27503 1 1300 . 1 1 173 173 ILE H H 1 8.791 0.004 . 1 . . 334 . . 173 ILE H . 27503 1 1301 . 1 1 173 173 ILE HA H 1 4.705 0.029 . 1 . . 2710 . . 173 ILE HA . 27503 1 1302 . 1 1 173 173 ILE HB H 1 1.896 0.008 . 1 . . 3226 . . 173 ILE HB . 27503 1 1303 . 1 1 173 173 ILE C C 13 175.182 0.025 . 1 . . 763 . . 173 ILE C . 27503 1 1304 . 1 1 173 173 ILE CA C 13 58.272 0.046 . 1 . . 560 . . 173 ILE CA . 27503 1 1305 . 1 1 173 173 ILE CB C 13 33.588 0.036 . 1 . . 762 . . 173 ILE CB . 27503 1 1306 . 1 1 173 173 ILE N N 15 121.672 0.018 . 1 . . 335 . . 173 ILE N . 27503 1 1307 . 1 1 174 174 ILE H H 1 8.981 0.011 . 1 . . 47 . . 174 ILE H . 27503 1 1308 . 1 1 174 174 ILE HA H 1 4.608 0.002 . 1 . . 3176 . . 174 ILE HA . 27503 1 1309 . 1 1 174 174 ILE HB H 1 1.539 0.005 . 1 . . 2951 . . 174 ILE HB . 27503 1 1310 . 1 1 174 174 ILE HG21 H 1 0.714 0.021 . 1 . . 2941 . . 174 ILE HG21 . 27503 1 1311 . 1 1 174 174 ILE HG22 H 1 0.714 0.021 . 1 . . 2941 . . 174 ILE HG22 . 27503 1 1312 . 1 1 174 174 ILE HG23 H 1 0.714 0.021 . 1 . . 2941 . . 174 ILE HG23 . 27503 1 1313 . 1 1 174 174 ILE C C 13 174.655 . . 1 . . 841 . . 174 ILE C . 27503 1 1314 . 1 1 174 174 ILE CA C 13 56.128 0.037 . 1 . . 370 . . 174 ILE CA . 27503 1 1315 . 1 1 174 174 ILE CB C 13 40.066 0.061 . 1 . . 371 . . 174 ILE CB . 27503 1 1316 . 1 1 174 174 ILE CG2 C 13 18.875 . . 1 . . 2502 . . 174 ILE CG2 . 27503 1 1317 . 1 1 174 174 ILE CD1 C 13 17.673 . . 1 . . 2501 . . 174 ILE CD1 . 27503 1 1318 . 1 1 174 174 ILE N N 15 128.684 0.062 . 1 . . 48 . . 174 ILE N . 27503 1 1319 . 1 1 175 175 ASN H H 1 8.880 0.006 . 1 . . 142 . . 175 ASN H . 27503 1 1320 . 1 1 175 175 ASN HA H 1 4.810 0.018 . 1 . . 2707 . . 175 ASN HA . 27503 1 1321 . 1 1 175 175 ASN HB2 H 1 2.719 . . 2 . . 2708 . . 175 ASN HB2 . 27503 1 1322 . 1 1 175 175 ASN HB3 H 1 3.158 0.011 . 2 . . 2709 . . 175 ASN HB3 . 27503 1 1323 . 1 1 175 175 ASN C C 13 176.225 0.019 . 1 . . 642 . . 175 ASN C . 27503 1 1324 . 1 1 175 175 ASN CA C 13 49.972 0.026 . 1 . . 644 . . 175 ASN CA . 27503 1 1325 . 1 1 175 175 ASN CB C 13 37.505 0.029 . 1 . . 936 . . 175 ASN CB . 27503 1 1326 . 1 1 175 175 ASN N N 15 125.266 0.049 . 1 . . 143 . . 175 ASN N . 27503 1 1327 . 1 1 176 176 THR H H 1 8.272 0.015 . 1 . . 266 . . 176 THR H . 27503 1 1328 . 1 1 176 176 THR HA H 1 2.876 0.018 . 1 . . 2705 . . 176 THR HA . 27503 1 1329 . 1 1 176 176 THR HB H 1 3.760 0.007 . 1 . . 2706 . . 176 THR HB . 27503 1 1330 . 1 1 176 176 THR C C 13 175.377 . . 1 . . 984 . . 176 THR C . 27503 1 1331 . 1 1 176 176 THR CA C 13 60.492 0.079 . 1 . . 513 . . 176 THR CA . 27503 1 1332 . 1 1 176 176 THR CB C 13 65.596 0.044 . 1 . . 514 . . 176 THR CB . 27503 1 1333 . 1 1 176 176 THR CG2 C 13 20.083 . . 1 . . 1072 . . 176 THR CG2 . 27503 1 1334 . 1 1 176 176 THR N N 15 117.610 0.035 . 1 . . 267 . . 176 THR N . 27503 1 1335 . 1 1 177 177 GLY H H 1 8.844 0.011 . 1 . . 340 . . 177 GLY H . 27503 1 1336 . 1 1 177 177 GLY HA2 H 1 3.915 0.008 . 2 . . 2704 . . 177 GLY HA2 . 27503 1 1337 . 1 1 177 177 GLY HA3 H 1 3.740 0.009 . 2 . . 2949 . . 177 GLY HA3 . 27503 1 1338 . 1 1 177 177 GLY C C 13 175.192 0.031 . 1 . . 710 . . 177 GLY C . 27503 1 1339 . 1 1 177 177 GLY CA C 13 44.060 0.03 . 1 . . 569 . . 177 GLY CA . 27503 1 1340 . 1 1 177 177 GLY N N 15 110.848 0.075 . 1 . . 341 . . 177 GLY N . 27503 1 1341 . 1 1 178 178 ASP H H 1 7.079 0.006 . 1 . . 114 . . 178 ASP H . 27503 1 1342 . 1 1 178 178 ASP HA H 1 4.742 0.009 . 1 . . 2701 . . 178 ASP HA . 27503 1 1343 . 1 1 178 178 ASP HB2 H 1 3.071 0.004 . 2 . . 2702 . . 178 ASP HB2 . 27503 1 1344 . 1 1 178 178 ASP HB3 H 1 2.440 0.029 . 2 . . 2703 . . 178 ASP HB3 . 27503 1 1345 . 1 1 178 178 ASP C C 13 177.069 0.021 . 1 . . 628 . . 178 ASP C . 27503 1 1346 . 1 1 178 178 ASP CA C 13 49.779 0.033 . 1 . . 422 . . 178 ASP CA . 27503 1 1347 . 1 1 178 178 ASP CB C 13 38.781 0.039 . 1 . . 423 . . 178 ASP CB . 27503 1 1348 . 1 1 178 178 ASP N N 15 115.522 0.021 . 1 . . 115 . . 178 ASP N . 27503 1 1349 . 1 1 179 179 GLY H H 1 8.147 0.01 . 1 . . 237 . . 179 GLY H . 27503 1 1350 . 1 1 179 179 GLY HA2 H 1 4.360 0.007 . 2 . . 2699 . . 179 GLY HA2 . 27503 1 1351 . 1 1 179 179 GLY HA3 H 1 3.921 0.004 . 2 . . 2700 . . 179 GLY HA3 . 27503 1 1352 . 1 1 179 179 GLY C C 13 176.100 . . 1 . . 825 . . 179 GLY C . 27503 1 1353 . 1 1 179 179 GLY CA C 13 43.972 0.042 . 1 . . 498 . . 179 GLY CA . 27503 1 1354 . 1 1 179 179 GLY N N 15 111.383 0.042 . 1 . . 238 . . 179 GLY N . 27503 1 1355 . 1 1 180 180 SER H H 1 8.103 0.004 . 1 . . 124 . . 180 SER H . 27503 1 1356 . 1 1 180 180 SER HA H 1 4.598 0.01 . 1 . . 3177 . . 180 SER HA . 27503 1 1357 . 1 1 180 180 SER HB2 H 1 3.839 0.012 . 1 . . 2940 . . 180 SER HB2 . 27503 1 1358 . 1 1 180 180 SER C C 13 173.714 . . 1 . . 937 . . 180 SER C . 27503 1 1359 . 1 1 180 180 SER CA C 13 55.773 0.045 . 1 . . 429 . . 180 SER CA . 27503 1 1360 . 1 1 180 180 SER CB C 13 62.721 0.031 . 1 . . 428 . . 180 SER CB . 27503 1 1361 . 1 1 180 180 SER N N 15 114.812 0.018 . 1 . . 125 . . 180 SER N . 27503 1 1362 . 1 1 181 181 TYR H H 1 8.622 0.005 . 1 . . 268 . . 181 TYR H . 27503 1 1363 . 1 1 181 181 TYR HA H 1 4.623 0.001 . 1 . . 2948 . . 181 TYR HA . 27503 1 1364 . 1 1 181 181 TYR HB2 H 1 2.987 0.0 . 2 . . 2946 . . 181 TYR HB2 . 27503 1 1365 . 1 1 181 181 TYR HB3 H 1 3.094 0.011 . 2 . . 2947 . . 181 TYR HB3 . 27503 1 1366 . 1 1 181 181 TYR C C 13 175.091 . . 1 . . 2624 . . 181 TYR C . 27503 1 1367 . 1 1 181 181 TYR CA C 13 56.759 0.099 . 1 . . 515 . . 181 TYR CA . 27503 1 1368 . 1 1 181 181 TYR CB C 13 36.597 0.002 . 1 . . 2623 . . 181 TYR CB . 27503 1 1369 . 1 1 181 181 TYR N N 15 121.259 0.019 . 1 . . 269 . . 181 TYR N . 27503 1 1370 . 1 1 182 182 ILE H H 1 8.468 0.01 . 1 . . 27 . . 182 ILE H . 27503 1 1371 . 1 1 182 182 ILE HA H 1 3.996 0.022 . 1 . . 2942 . . 182 ILE HA . 27503 1 1372 . 1 1 182 182 ILE HB H 1 1.795 0.01 . 1 . . 3227 . . 182 ILE HB . 27503 1 1373 . 1 1 182 182 ILE HD11 H 1 1.003 0.004 . 1 . . 2944 . . 182 ILE HD11 . 27503 1 1374 . 1 1 182 182 ILE HD12 H 1 1.003 0.004 . 1 . . 2944 . . 182 ILE HD12 . 27503 1 1375 . 1 1 182 182 ILE HD13 H 1 1.003 0.004 . 1 . . 2944 . . 182 ILE HD13 . 27503 1 1376 . 1 1 182 182 ILE C C 13 175.077 0.082 . 1 . . 2625 . . 182 ILE C . 27503 1 1377 . 1 1 182 182 ILE CA C 13 59.754 0.017 . 1 . . 717 . . 182 ILE CA . 27503 1 1378 . 1 1 182 182 ILE CB C 13 36.606 0.042 . 1 . . 751 . . 182 ILE CB . 27503 1 1379 . 1 1 182 182 ILE CD1 C 13 12.419 . . 1 . . 2945 . . 182 ILE CD1 . 27503 1 1380 . 1 1 182 182 ILE N N 15 127.608 0.054 . 1 . . 28 . . 182 ILE N . 27503 1 1381 . 1 1 183 183 SER H H 1 7.823 0.002 . 1 . . 2578 . . 183 SER H . 27503 1 1382 . 1 1 183 183 SER CA C 13 54.170 . . 1 . . 2580 . . 183 SER CA . 27503 1 stop_ save_