data_27146 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27146 _Entry.Title ; Est3 Hansenula polymorpha telomerase subunit ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-06-17 _Entry.Accession_date 2017-06-17 _Entry.Last_release_date 2017-06-19 _Entry.Original_release_date 2017-06-19 _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 Vladimir Polshakov . . . . 27146 2 Sofia Mariasina . . . . 27146 3 Sergey Efimov . . . . 27146 4 Olga Petrova . . . . 27146 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27146 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 676 27146 '15N chemical shifts' 183 27146 '1H chemical shifts' 1138 27146 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 2 . . 2018-04-18 2017-06-17 update BMRB 'update entry citation' 27146 1 . . 2017-09-29 2017-06-17 original author 'original release' 27146 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27146 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28916982 _Citation.Full_citation . _Citation.Title ; Chemical shift assignments and the secondary structure of the Est3 telomerase subunit in the yeast Hansenula polymorpha ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 1 _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 57 _Citation.Page_last 62 _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 Sofia Mariasina . S. . . 27146 1 2 Sergey Efimov . V. . . 27146 1 3 Olga Petrova . A. . . 27146 1 4 Elena Rodina . V. . . 27146 1 5 Alexander Malyavko . N. . . 27146 1 6 Maria Zvereva . I. . . 27146 1 7 Vladimir Klochkov . V. . . 27146 1 8 Olga Dontsova . A. . . 27146 1 9 Vladimir Polshakov . I. . . 27146 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Secondary structure' 27146 1 Telomerase 27146 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27146 _Assembly.ID 1 _Assembly.Name hpEst3 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 hpEst3 1 $Est3 A . yes native no no . . . 27146 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Est3 _Entity.Sf_category entity _Entity.Sf_framecode Est3 _Entity.Entry_ID 27146 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Est3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGPPSSRDAVRVTASAHM KHWLEPVLCEAGLGHNYKVD KVLKVLRIYPRSNTLSSLPL CLCDANYKILAFANYKAIAA FERKERRRVTQNLLNSEIMI HSFTIRFYNDDQVQGFFDGL KFKQKASLFPGYLVLEINDF SMFNRDQLILSNAGTIEFLY GTPRYIARFIEQEFSDEE ; _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 178 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . GLY . 27146 1 2 . ALA . 27146 1 3 . MET . 27146 1 4 . GLY . 27146 1 5 . PRO . 27146 1 6 . PRO . 27146 1 7 . SER . 27146 1 8 . SER . 27146 1 9 . ARG . 27146 1 10 . ASP . 27146 1 11 . ALA . 27146 1 12 . VAL . 27146 1 13 . ARG . 27146 1 14 . VAL . 27146 1 15 . THR . 27146 1 16 . ALA . 27146 1 17 . SER . 27146 1 18 . ALA . 27146 1 19 . HIS . 27146 1 20 . MET . 27146 1 21 . LYS . 27146 1 22 . HIS . 27146 1 23 . TRP . 27146 1 24 . LEU . 27146 1 25 . GLU . 27146 1 26 . PRO . 27146 1 27 . VAL . 27146 1 28 . LEU . 27146 1 29 . CYS . 27146 1 30 . GLU . 27146 1 31 . ALA . 27146 1 32 . GLY . 27146 1 33 . LEU . 27146 1 34 . GLY . 27146 1 35 . HIS . 27146 1 36 . ASN . 27146 1 37 . TYR . 27146 1 38 . LYS . 27146 1 39 . VAL . 27146 1 40 . ASP . 27146 1 41 . LYS . 27146 1 42 . VAL . 27146 1 43 . LEU . 27146 1 44 . LYS . 27146 1 45 . VAL . 27146 1 46 . LEU . 27146 1 47 . ARG . 27146 1 48 . ILE . 27146 1 49 . TYR . 27146 1 50 . PRO . 27146 1 51 . ARG . 27146 1 52 . SER . 27146 1 53 . ASN . 27146 1 54 . THR . 27146 1 55 . LEU . 27146 1 56 . SER . 27146 1 57 . SER . 27146 1 58 . LEU . 27146 1 59 . PRO . 27146 1 60 . LEU . 27146 1 61 . CYS . 27146 1 62 . LEU . 27146 1 63 . CYS . 27146 1 64 . ASP . 27146 1 65 . ALA . 27146 1 66 . ASN . 27146 1 67 . TYR . 27146 1 68 . LYS . 27146 1 69 . ILE . 27146 1 70 . LEU . 27146 1 71 . ALA . 27146 1 72 . PHE . 27146 1 73 . ALA . 27146 1 74 . ASN . 27146 1 75 . TYR . 27146 1 76 . LYS . 27146 1 77 . ALA . 27146 1 78 . ILE . 27146 1 79 . ALA . 27146 1 80 . ALA . 27146 1 81 . PHE . 27146 1 82 . GLU . 27146 1 83 . ARG . 27146 1 84 . LYS . 27146 1 85 . GLU . 27146 1 86 . ARG . 27146 1 87 . ARG . 27146 1 88 . ARG . 27146 1 89 . VAL . 27146 1 90 . THR . 27146 1 91 . GLN . 27146 1 92 . ASN . 27146 1 93 . LEU . 27146 1 94 . LEU . 27146 1 95 . ASN . 27146 1 96 . SER . 27146 1 97 . GLU . 27146 1 98 . ILE . 27146 1 99 . MET . 27146 1 100 . ILE . 27146 1 101 . HIS . 27146 1 102 . SER . 27146 1 103 . PHE . 27146 1 104 . THR . 27146 1 105 . ILE . 27146 1 106 . ARG . 27146 1 107 . PHE . 27146 1 108 . TYR . 27146 1 109 . ASN . 27146 1 110 . ASP . 27146 1 111 . ASP . 27146 1 112 . GLN . 27146 1 113 . VAL . 27146 1 114 . GLN . 27146 1 115 . GLY . 27146 1 116 . PHE . 27146 1 117 . PHE . 27146 1 118 . ASP . 27146 1 119 . GLY . 27146 1 120 . LEU . 27146 1 121 . LYS . 27146 1 122 . PHE . 27146 1 123 . LYS . 27146 1 124 . GLN . 27146 1 125 . LYS . 27146 1 126 . ALA . 27146 1 127 . SER . 27146 1 128 . LEU . 27146 1 129 . PHE . 27146 1 130 . PRO . 27146 1 131 . GLY . 27146 1 132 . TYR . 27146 1 133 . LEU . 27146 1 134 . VAL . 27146 1 135 . LEU . 27146 1 136 . GLU . 27146 1 137 . ILE . 27146 1 138 . ASN . 27146 1 139 . ASP . 27146 1 140 . PHE . 27146 1 141 . SER . 27146 1 142 . MET . 27146 1 143 . PHE . 27146 1 144 . ASN . 27146 1 145 . ARG . 27146 1 146 . ASP . 27146 1 147 . GLN . 27146 1 148 . LEU . 27146 1 149 . ILE . 27146 1 150 . LEU . 27146 1 151 . SER . 27146 1 152 . ASN . 27146 1 153 . ALA . 27146 1 154 . GLY . 27146 1 155 . THR . 27146 1 156 . ILE . 27146 1 157 . GLU . 27146 1 158 . PHE . 27146 1 159 . LEU . 27146 1 160 . TYR . 27146 1 161 . GLY . 27146 1 162 . THR . 27146 1 163 . PRO . 27146 1 164 . ARG . 27146 1 165 . TYR . 27146 1 166 . ILE . 27146 1 167 . ALA . 27146 1 168 . ARG . 27146 1 169 . PHE . 27146 1 170 . ILE . 27146 1 171 . GLU . 27146 1 172 . GLN . 27146 1 173 . GLU . 27146 1 174 . PHE . 27146 1 175 . SER . 27146 1 176 . ASP . 27146 1 177 . GLU . 27146 1 178 . GLU . 27146 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 . GLY 1 1 27146 1 . ALA 2 2 27146 1 . MET 3 3 27146 1 . GLY 4 4 27146 1 . PRO 5 5 27146 1 . PRO 6 6 27146 1 . SER 7 7 27146 1 . SER 8 8 27146 1 . ARG 9 9 27146 1 . ASP 10 10 27146 1 . ALA 11 11 27146 1 . VAL 12 12 27146 1 . ARG 13 13 27146 1 . VAL 14 14 27146 1 . THR 15 15 27146 1 . ALA 16 16 27146 1 . SER 17 17 27146 1 . ALA 18 18 27146 1 . HIS 19 19 27146 1 . MET 20 20 27146 1 . LYS 21 21 27146 1 . HIS 22 22 27146 1 . TRP 23 23 27146 1 . LEU 24 24 27146 1 . GLU 25 25 27146 1 . PRO 26 26 27146 1 . VAL 27 27 27146 1 . LEU 28 28 27146 1 . CYS 29 29 27146 1 . GLU 30 30 27146 1 . ALA 31 31 27146 1 . GLY 32 32 27146 1 . LEU 33 33 27146 1 . GLY 34 34 27146 1 . HIS 35 35 27146 1 . ASN 36 36 27146 1 . TYR 37 37 27146 1 . LYS 38 38 27146 1 . VAL 39 39 27146 1 . ASP 40 40 27146 1 . LYS 41 41 27146 1 . VAL 42 42 27146 1 . LEU 43 43 27146 1 . LYS 44 44 27146 1 . VAL 45 45 27146 1 . LEU 46 46 27146 1 . ARG 47 47 27146 1 . ILE 48 48 27146 1 . TYR 49 49 27146 1 . PRO 50 50 27146 1 . ARG 51 51 27146 1 . SER 52 52 27146 1 . ASN 53 53 27146 1 . THR 54 54 27146 1 . LEU 55 55 27146 1 . SER 56 56 27146 1 . SER 57 57 27146 1 . LEU 58 58 27146 1 . PRO 59 59 27146 1 . LEU 60 60 27146 1 . CYS 61 61 27146 1 . LEU 62 62 27146 1 . CYS 63 63 27146 1 . ASP 64 64 27146 1 . ALA 65 65 27146 1 . ASN 66 66 27146 1 . TYR 67 67 27146 1 . LYS 68 68 27146 1 . ILE 69 69 27146 1 . LEU 70 70 27146 1 . ALA 71 71 27146 1 . PHE 72 72 27146 1 . ALA 73 73 27146 1 . ASN 74 74 27146 1 . TYR 75 75 27146 1 . LYS 76 76 27146 1 . ALA 77 77 27146 1 . ILE 78 78 27146 1 . ALA 79 79 27146 1 . ALA 80 80 27146 1 . PHE 81 81 27146 1 . GLU 82 82 27146 1 . ARG 83 83 27146 1 . LYS 84 84 27146 1 . GLU 85 85 27146 1 . ARG 86 86 27146 1 . ARG 87 87 27146 1 . ARG 88 88 27146 1 . VAL 89 89 27146 1 . THR 90 90 27146 1 . GLN 91 91 27146 1 . ASN 92 92 27146 1 . LEU 93 93 27146 1 . LEU 94 94 27146 1 . ASN 95 95 27146 1 . SER 96 96 27146 1 . GLU 97 97 27146 1 . ILE 98 98 27146 1 . MET 99 99 27146 1 . ILE 100 100 27146 1 . HIS 101 101 27146 1 . SER 102 102 27146 1 . PHE 103 103 27146 1 . THR 104 104 27146 1 . ILE 105 105 27146 1 . ARG 106 106 27146 1 . PHE 107 107 27146 1 . TYR 108 108 27146 1 . ASN 109 109 27146 1 . ASP 110 110 27146 1 . ASP 111 111 27146 1 . GLN 112 112 27146 1 . VAL 113 113 27146 1 . GLN 114 114 27146 1 . GLY 115 115 27146 1 . PHE 116 116 27146 1 . PHE 117 117 27146 1 . ASP 118 118 27146 1 . GLY 119 119 27146 1 . LEU 120 120 27146 1 . LYS 121 121 27146 1 . PHE 122 122 27146 1 . LYS 123 123 27146 1 . GLN 124 124 27146 1 . LYS 125 125 27146 1 . ALA 126 126 27146 1 . SER 127 127 27146 1 . LEU 128 128 27146 1 . PHE 129 129 27146 1 . PRO 130 130 27146 1 . GLY 131 131 27146 1 . TYR 132 132 27146 1 . LEU 133 133 27146 1 . VAL 134 134 27146 1 . LEU 135 135 27146 1 . GLU 136 136 27146 1 . ILE 137 137 27146 1 . ASN 138 138 27146 1 . ASP 139 139 27146 1 . PHE 140 140 27146 1 . SER 141 141 27146 1 . MET 142 142 27146 1 . PHE 143 143 27146 1 . ASN 144 144 27146 1 . ARG 145 145 27146 1 . ASP 146 146 27146 1 . GLN 147 147 27146 1 . LEU 148 148 27146 1 . ILE 149 149 27146 1 . LEU 150 150 27146 1 . SER 151 151 27146 1 . ASN 152 152 27146 1 . ALA 153 153 27146 1 . GLY 154 154 27146 1 . THR 155 155 27146 1 . ILE 156 156 27146 1 . GLU 157 157 27146 1 . PHE 158 158 27146 1 . LEU 159 159 27146 1 . TYR 160 160 27146 1 . GLY 161 161 27146 1 . THR 162 162 27146 1 . PRO 163 163 27146 1 . ARG 164 164 27146 1 . TYR 165 165 27146 1 . ILE 166 166 27146 1 . ALA 167 167 27146 1 . ARG 168 168 27146 1 . PHE 169 169 27146 1 . ILE 170 170 27146 1 . GLU 171 171 27146 1 . GLN 172 172 27146 1 . GLU 173 173 27146 1 . PHE 174 174 27146 1 . SER 175 175 27146 1 . ASP 176 176 27146 1 . GLU 177 177 27146 1 . GLU 178 178 27146 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 27146 _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 $Est3 . 870730 organism . 'Hansenula polymorpha' yeast . . Eukaryota Fungi Hansenula polymorpha . . . . . . . . . . . . . 27146 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 27146 _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 $Est3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pET30aTEV . . 'TEV cleavage site at the N-terminus of Est3' 27146 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_CN _Sample.Sf_category sample _Sample.Sf_framecode sample_CN _Sample.Entry_ID 27146 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details H2O _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 Est3 '[U-99% 13C; U-99% 15N]' . . 1 $Est3 . . 0.5 . . mM . . . . 27146 1 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27146 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27146 1 4 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 27146 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 27146 1 stop_ save_ save_sample_CN_D2O _Sample.Sf_category sample _Sample.Sf_framecode sample_CN_D2O _Sample.Entry_ID 27146 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details D2O _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Est3 '[U-99% 13C; U-99% 15N]' . . 1 $Est3 . . 0.7 . . mM . . . . 27146 2 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27146 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27146 2 4 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 27146 2 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 27146 2 stop_ save_ save_Sample_N _Sample.Sf_category sample _Sample.Sf_framecode Sample_N _Sample.Entry_ID 27146 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details H2O _Sample.Aggregate_sample_number 3 _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 Est3 '[U-99% 15N]' . . 1 $Est3 . . 0.8 . . mM . . . . 27146 3 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27146 3 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27146 3 4 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 27146 3 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 27146 3 stop_ save_ save_sample_unl _Sample.Sf_category sample _Sample.Sf_framecode sample_unl _Sample.Entry_ID 27146 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details D2O _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Est3 'natural abundance' . . 1 $Est3 . . 1.0 . . mM . . . . 27146 4 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27146 4 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27146 4 4 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 27146 4 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 27146 4 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 27146 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 27146 1 pH 6.5 . pH 27146 1 pressure 1 . atm 27146 1 temperature 298 . K 27146 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 27146 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 27146 2 pH 6.5 . pH 27146 2 pressure 1 . atm 27146 2 temperature 303 . K 27146 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27146 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27146 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27146 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27146 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27146 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27146 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27146 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27146 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27146 3 'peak picking' 27146 3 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 27146 _Software.ID 4 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 27146 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27146 4 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 27146 _Software.ID 5 _Software.Type . _Software.Name AutoAssign _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 27146 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27146 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 27146 _Software.ID 6 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 27146 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27146 6 stop_ save_ save_NMRest _Software.Sf_category software _Software.Sf_framecode NMRest _Software.Entry_ID 27146 _Software.ID 7 _Software.Type . _Software.Name NMRest _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Polshakov . . 27146 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 27146 7 'data analysis' 27146 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27146 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with quadruple resonance (1H, 13C, 15N, 31P) CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27146 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Equipped with triple resonance (1H, 13C, 15N) probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27146 _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 spectrometer_1 Bruker Avance . 700 'Equipped with quadruple resonance (1H, 13C, 15N, 31P) CryoProbe' . . 27146 1 2 spectrometer_2 Bruker Avance . 600 'Equipped with triple resonance (1H, 13C, 15N) probe' . . 27146 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 27146 _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 . . . . . . . . . . 3 $Sample_N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27146 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_CN_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27146 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_CN_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27146 1 4 '2D DQF-COSY' no . . . . . . . . . . 4 $sample_unl isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27146 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $sample_unl isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27146 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_CN isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27146 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_CN isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27146 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_CN isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27146 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_CN isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27146 1 10 '3D HNCACB' no . . . . . . . . . . 1 $sample_CN isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27146 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_CN isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27146 1 12 '3D HNHA' no . . . . . . . . . . 3 $Sample_N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27146 1 13 '3D HNHB' no . . . . . . . . . . 3 $Sample_N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27146 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_CN_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27146 1 15 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_CN_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27146 1 16 '2D HBCB(CGCD)HD' no . . . . . . . . . . 2 $sample_CN_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27146 1 17 '2D HBCB(CGCDCE)HE' no . . . . . . . . . . 2 $sample_CN_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27146 1 18 '3D 1H-15N TOCSY' no . . . . . . . . . . 3 $Sample_N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27146 1 19 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $Sample_N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27146 1 20 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $Sample_N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27146 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 27146 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27146 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27146 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27146 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27146 _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' . . . 27146 1 2 '2D 1H-13C HSQC aliphatic' . . . 27146 1 3 '2D 1H-13C HSQC aromatic' . . . 27146 1 5 '2D 1H-1H NOESY' . . . 27146 1 6 '3D HNCO' . . . 27146 1 7 '3D HN(CA)CO' . . . 27146 1 10 '3D HNCACB' . . . 27146 1 11 '3D CBCA(CO)NH' . . . 27146 1 12 '3D HNHA' . . . 27146 1 13 '3D HNHB' . . . 27146 1 14 '3D HCCH-TOCSY' . . . 27146 1 15 '3D 1H-13C NOESY' . . . 27146 1 16 '2D HBCB(CGCD)HD' . . . 27146 1 17 '2D HBCB(CGCDCE)HE' . . . 27146 1 18 '3D 1H-15N TOCSY' . . . 27146 1 19 '3D 1H-15N NOESY' . . . 27146 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 ALA CA C 13 52.653 0.051 . 1 . . . . . 2 ALA CA . 27146 1 2 . 1 1 2 2 ALA HA H 1 4.326 0.009 . 1 . . . . . 2 ALA HA . 27146 1 3 . 1 1 2 2 ALA CB C 13 19.346 0.066 . 1 . . . . . 2 ALA CB . 27146 1 4 . 1 1 2 2 ALA HB1 H 1 1.363 0.007 . 1 . . . . . 2 ALA HB1 . 27146 1 5 . 1 1 2 2 ALA HB2 H 1 1.363 0.007 . 1 . . . . . 2 ALA HB2 . 27146 1 6 . 1 1 2 2 ALA HB3 H 1 1.363 0.007 . 1 . . . . . 2 ALA HB3 . 27146 1 7 . 1 1 2 2 ALA C C 13 177.783 0.063 . 1 . . . . . 2 ALA C . 27146 1 8 . 1 1 3 3 MET N N 15 119.771 0.063 . 1 . . . . . 3 MET N . 27146 1 9 . 1 1 3 3 MET H H 1 8.492 0.005 . 1 . . . . . 3 MET HN . 27146 1 10 . 1 1 3 3 MET CA C 13 55.325 0.031 . 1 . . . . . 3 MET CA . 27146 1 11 . 1 1 3 3 MET HA H 1 4.502 0.009 . 1 . . . . . 3 MET HA . 27146 1 12 . 1 1 3 3 MET CB C 13 33.076 0.073 . 1 . . . . . 3 MET CB . 27146 1 13 . 1 1 3 3 MET HB2 H 1 2.097 0.004 . 2 . . . . . 3 MET HB2 . 27146 1 14 . 1 1 3 3 MET HB3 H 1 1.997 0.005 . 2 . . . . . 3 MET HB3 . 27146 1 15 . 1 1 3 3 MET CG C 13 32.099 0.074 . 1 . . . . . 3 MET CG . 27146 1 16 . 1 1 3 3 MET CE C 13 16.942 0.031 . 1 . . . . . 3 MET CE . 27146 1 17 . 1 1 3 3 MET HE1 H 1 2.070 0.008 . 1 . . . . . 3 MET HE1 . 27146 1 18 . 1 1 3 3 MET HE2 H 1 2.070 0.008 . 1 . . . . . 3 MET HE2 . 27146 1 19 . 1 1 3 3 MET HE3 H 1 2.070 0.008 . 1 . . . . . 3 MET HE3 . 27146 1 20 . 1 1 3 3 MET C C 13 176.354 0.001 . 1 . . . . . 3 MET C . 27146 1 21 . 1 1 4 4 GLY N N 15 110.364 0.104 . 1 . . . . . 4 GLY N . 27146 1 22 . 1 1 4 4 GLY H H 1 8.204 0.005 . 1 . . . . . 4 GLY HN . 27146 1 23 . 1 1 4 4 GLY CA C 13 44.448 0.050 . 1 . . . . . 4 GLY CA . 27146 1 24 . 1 1 4 4 GLY HA2 H 1 4.130 0.012 . 2 . . . . . 4 GLY HA2 . 27146 1 25 . 1 1 4 4 GLY HA3 H 1 3.998 0.008 . 2 . . . . . 4 GLY HA3 . 27146 1 26 . 1 1 4 4 GLY C C 13 171.094 0.001 . 1 . . . . . 4 GLY C . 27146 1 27 . 1 1 5 5 PRO CA C 13 61.635 0.019 . 1 . . . . . 5 PRO CA . 27146 1 28 . 1 1 5 5 PRO HA H 1 4.703 0.006 . 1 . . . . . 5 PRO HA . 27146 1 29 . 1 1 5 5 PRO CB C 13 31.049 0.082 . 1 . . . . . 5 PRO CB . 27146 1 30 . 1 1 5 5 PRO HB2 H 1 2.310 0.008 . 2 . . . . . 5 PRO HB2 . 27146 1 31 . 1 1 5 5 PRO HB3 H 1 1.907 0.011 . 2 . . . . . 5 PRO HB3 . 27146 1 32 . 1 1 5 5 PRO CG C 13 27.277 0.073 . 1 . . . . . 5 PRO CG . 27146 1 33 . 1 1 5 5 PRO HG2 H 1 2.005 0.007 . 2 . . . . . 5 PRO HG2 . 27146 1 34 . 1 1 5 5 PRO HG3 H 1 2.005 0.007 . 2 . . . . . 5 PRO HG3 . 27146 1 35 . 1 1 5 5 PRO CD C 13 49.865 0.099 . 1 . . . . . 5 PRO CD . 27146 1 36 . 1 1 5 5 PRO HD2 H 1 3.619 0.005 . 1 . . . . . 5 PRO HD1 . 27146 1 37 . 1 1 5 5 PRO HD3 H 1 3.579 0.008 . 1 . . . . . 5 PRO HD2 . 27146 1 38 . 1 1 6 6 PRO CA C 13 63.377 0.099 . 1 . . . . . 6 PRO CA . 27146 1 39 . 1 1 6 6 PRO HA H 1 4.429 0.006 . 1 . . . . . 6 PRO HA . 27146 1 40 . 1 1 6 6 PRO CB C 13 32.079 0.069 . 1 . . . . . 6 PRO CB . 27146 1 41 . 1 1 6 6 PRO HB2 H 1 2.236 0.130 . 2 . . . . . 6 PRO HB2 . 27146 1 42 . 1 1 6 6 PRO HB3 H 1 1.919 0.008 . 2 . . . . . 6 PRO HB3 . 27146 1 43 . 1 1 6 6 PRO CG C 13 27.446 0.070 . 1 . . . . . 6 PRO CG . 27146 1 44 . 1 1 6 6 PRO HG2 H 1 2.009 0.007 . 2 . . . . . 6 PRO HG2 . 27146 1 45 . 1 1 6 6 PRO HG3 H 1 2.009 0.007 . 2 . . . . . 6 PRO HG3 . 27146 1 46 . 1 1 6 6 PRO CD C 13 50.559 0.116 . 1 . . . . . 6 PRO CD . 27146 1 47 . 1 1 6 6 PRO HD2 H 1 3.793 0.008 . 1 . . . . . 6 PRO HD1 . 27146 1 48 . 1 1 6 6 PRO HD3 H 1 3.635 0.005 . 1 . . . . . 6 PRO HD2 . 27146 1 49 . 1 1 6 6 PRO C C 13 177.112 0.088 . 1 . . . . . 6 PRO C . 27146 1 50 . 1 1 7 7 SER N N 15 115.699 0.033 . 1 . . . . . 7 SER N . 27146 1 51 . 1 1 7 7 SER H H 1 8.429 0.006 . 1 . . . . . 7 SER HN . 27146 1 52 . 1 1 7 7 SER CA C 13 58.298 0.026 . 1 . . . . . 7 SER CA . 27146 1 53 . 1 1 7 7 SER HA H 1 4.421 0.006 . 1 . . . . . 7 SER HA . 27146 1 54 . 1 1 7 7 SER CB C 13 63.866 0.065 . 1 . . . . . 7 SER CB . 27146 1 55 . 1 1 7 7 SER HB2 H 1 3.868 0.017 . 2 . . . . . 7 SER HB2 . 27146 1 56 . 1 1 7 7 SER HB3 H 1 3.868 0.017 . 2 . . . . . 7 SER HB3 . 27146 1 57 . 1 1 7 7 SER C C 13 175.002 0.125 . 1 . . . . . 7 SER C . 27146 1 58 . 1 1 8 8 SER N N 15 118.044 0.056 . 1 . . . . . 8 SER N . 27146 1 59 . 1 1 8 8 SER H H 1 8.387 0.008 . 1 . . . . . 8 SER HN . 27146 1 60 . 1 1 8 8 SER CA C 13 58.615 0.028 . 1 . . . . . 8 SER CA . 27146 1 61 . 1 1 8 8 SER HA H 1 4.418 0.010 . 1 . . . . . 8 SER HA . 27146 1 62 . 1 1 8 8 SER CB C 13 63.952 0.186 . 1 . . . . . 8 SER CB . 27146 1 63 . 1 1 8 8 SER HB2 H 1 3.879 0.015 . 2 . . . . . 8 SER HB2 . 27146 1 64 . 1 1 8 8 SER HB3 H 1 3.879 0.015 . 2 . . . . . 8 SER HB3 . 27146 1 65 . 1 1 8 8 SER C C 13 174.856 0.198 . 1 . . . . . 8 SER C . 27146 1 66 . 1 1 9 9 ARG N N 15 122.632 0.131 . 1 . . . . . 9 ARG N . 27146 1 67 . 1 1 9 9 ARG H H 1 8.307 0.007 . 1 . . . . . 9 ARG HN . 27146 1 68 . 1 1 9 9 ARG CA C 13 56.626 0.031 . 1 . . . . . 9 ARG CA . 27146 1 69 . 1 1 9 9 ARG HA H 1 4.275 0.006 . 1 . . . . . 9 ARG HA . 27146 1 70 . 1 1 9 9 ARG CB C 13 30.563 0.043 . 1 . . . . . 9 ARG CB . 27146 1 71 . 1 1 9 9 ARG HB2 H 1 1.818 0.028 . 2 . . . . . 9 ARG HB2 . 27146 1 72 . 1 1 9 9 ARG HB3 H 1 1.752 0.026 . 2 . . . . . 9 ARG HB3 . 27146 1 73 . 1 1 9 9 ARG CG C 13 27.188 0.058 . 1 . . . . . 9 ARG CG . 27146 1 74 . 1 1 9 9 ARG HG2 H 1 1.600 0.011 . 2 . . . . . 9 ARG HG2 . 27146 1 75 . 1 1 9 9 ARG HG3 H 1 1.600 0.011 . 2 . . . . . 9 ARG HG3 . 27146 1 76 . 1 1 9 9 ARG CD C 13 43.342 0.020 . 1 . . . . . 9 ARG CD . 27146 1 77 . 1 1 9 9 ARG HD2 H 1 3.156 0.006 . 2 . . . . . 9 ARG HD2 . 27146 1 78 . 1 1 9 9 ARG HD3 H 1 3.156 0.006 . 2 . . . . . 9 ARG HD3 . 27146 1 79 . 1 1 9 9 ARG C C 13 176.259 0.088 . 1 . . . . . 9 ARG C . 27146 1 80 . 1 1 10 10 ASP N N 15 120.473 0.063 . 1 . . . . . 10 ASP N . 27146 1 81 . 1 1 10 10 ASP H H 1 8.133 0.005 . 1 . . . . . 10 ASP HN . 27146 1 82 . 1 1 10 10 ASP CA C 13 54.620 0.035 . 1 . . . . . 10 ASP CA . 27146 1 83 . 1 1 10 10 ASP HA H 1 4.526 0.009 . 1 . . . . . 10 ASP HA . 27146 1 84 . 1 1 10 10 ASP CB C 13 41.174 0.052 . 1 . . . . . 10 ASP CB . 27146 1 85 . 1 1 10 10 ASP HB2 H 1 2.654 0.034 . 2 . . . . . 10 ASP HB2 . 27146 1 86 . 1 1 10 10 ASP HB3 H 1 2.559 0.026 . 2 . . . . . 10 ASP HB3 . 27146 1 87 . 1 1 10 10 ASP C C 13 175.963 0.063 . 1 . . . . . 10 ASP C . 27146 1 88 . 1 1 11 11 ALA N N 15 123.830 0.042 . 1 . . . . . 11 ALA N . 27146 1 89 . 1 1 11 11 ALA H H 1 8.038 0.003 . 1 . . . . . 11 ALA HN . 27146 1 90 . 1 1 11 11 ALA CA C 13 52.776 0.123 . 1 . . . . . 11 ALA CA . 27146 1 91 . 1 1 11 11 ALA HA H 1 4.253 0.007 . 1 . . . . . 11 ALA HA . 27146 1 92 . 1 1 11 11 ALA CB C 13 19.224 0.044 . 1 . . . . . 11 ALA CB . 27146 1 93 . 1 1 11 11 ALA HB1 H 1 1.349 0.009 . 1 . . . . . 11 ALA HB1 . 27146 1 94 . 1 1 11 11 ALA HB2 H 1 1.349 0.009 . 1 . . . . . 11 ALA HB2 . 27146 1 95 . 1 1 11 11 ALA HB3 H 1 1.349 0.009 . 1 . . . . . 11 ALA HB3 . 27146 1 96 . 1 1 11 11 ALA C C 13 177.745 0.001 . 1 . . . . . 11 ALA C . 27146 1 97 . 1 1 12 12 VAL N N 15 119.283 0.001 . 1 . . . . . 12 VAL N . 27146 1 98 . 1 1 12 12 VAL H H 1 8.006 0.003 . 1 . . . . . 12 VAL HN . 27146 1 99 . 1 1 12 12 VAL CA C 13 62.651 0.027 . 1 . . . . . 12 VAL CA . 27146 1 100 . 1 1 12 12 VAL HA H 1 4.003 0.007 . 1 . . . . . 12 VAL HA . 27146 1 101 . 1 1 12 12 VAL CB C 13 32.551 0.077 . 1 . . . . . 12 VAL CB . 27146 1 102 . 1 1 12 12 VAL HB H 1 2.018 0.012 . 1 . . . . . 12 VAL HB . 27146 1 103 . 1 1 12 12 VAL CG1 C 13 20.966 0.083 . 2 . . . . . 12 VAL CG1 . 27146 1 104 . 1 1 12 12 VAL HG11 H 1 0.927 0.017 . 2 . . . . . 12 VAL HG11 . 27146 1 105 . 1 1 12 12 VAL HG12 H 1 0.927 0.017 . 2 . . . . . 12 VAL HG12 . 27146 1 106 . 1 1 12 12 VAL HG13 H 1 0.927 0.017 . 2 . . . . . 12 VAL HG13 . 27146 1 107 . 1 1 12 12 VAL CG2 C 13 21.175 0.133 . 2 . . . . . 12 VAL CG2 . 27146 1 108 . 1 1 12 12 VAL HG21 H 1 0.896 0.010 . 2 . . . . . 12 VAL HG21 . 27146 1 109 . 1 1 12 12 VAL HG22 H 1 0.896 0.010 . 2 . . . . . 12 VAL HG22 . 27146 1 110 . 1 1 12 12 VAL HG23 H 1 0.896 0.010 . 2 . . . . . 12 VAL HG23 . 27146 1 111 . 1 1 12 12 VAL C C 13 176.151 0.063 . 1 . . . . . 12 VAL C . 27146 1 112 . 1 1 13 13 ARG N N 15 124.957 0.062 . 1 . . . . . 13 ARG N . 27146 1 113 . 1 1 13 13 ARG H H 1 8.294 0.003 . 1 . . . . . 13 ARG HN . 27146 1 114 . 1 1 13 13 ARG CA C 13 56.065 0.063 . 1 . . . . . 13 ARG CA . 27146 1 115 . 1 1 13 13 ARG HA H 1 4.374 0.009 . 1 . . . . . 13 ARG HA . 27146 1 116 . 1 1 13 13 ARG CB C 13 30.906 0.111 . 1 . . . . . 13 ARG CB . 27146 1 117 . 1 1 13 13 ARG HB2 H 1 1.754 0.014 . 2 . . . . . 13 ARG HB2 . 27146 1 118 . 1 1 13 13 ARG HB3 H 1 1.752 0.014 . 2 . . . . . 13 ARG HB3 . 27146 1 119 . 1 1 13 13 ARG CG C 13 27.319 0.001 . 1 . . . . . 13 ARG CG . 27146 1 120 . 1 1 13 13 ARG HG2 H 1 1.566 0.010 . 2 . . . . . 13 ARG HG2 . 27146 1 121 . 1 1 13 13 ARG HG3 H 1 1.566 0.010 . 2 . . . . . 13 ARG HG3 . 27146 1 122 . 1 1 13 13 ARG CD C 13 43.316 0.001 . 1 . . . . . 13 ARG CD . 27146 1 123 . 1 1 13 13 ARG HD2 H 1 3.151 0.012 . 2 . . . . . 13 ARG HD2 . 27146 1 124 . 1 1 13 13 ARG HD3 H 1 3.158 0.003 . 2 . . . . . 13 ARG HD3 . 27146 1 125 . 1 1 13 13 ARG C C 13 176.196 0.001 . 1 . . . . . 13 ARG C . 27146 1 126 . 1 1 14 14 VAL N N 15 121.594 0.001 . 1 . . . . . 14 VAL N . 27146 1 127 . 1 1 14 14 VAL H H 1 8.216 0.003 . 1 . . . . . 14 VAL HN . 27146 1 128 . 1 1 14 14 VAL CA C 13 62.272 0.036 . 1 . . . . . 14 VAL CA . 27146 1 129 . 1 1 14 14 VAL HA H 1 4.192 0.009 . 1 . . . . . 14 VAL HA . 27146 1 130 . 1 1 14 14 VAL CB C 13 32.910 0.077 . 1 . . . . . 14 VAL CB . 27146 1 131 . 1 1 14 14 VAL HB H 1 2.055 0.006 . 1 . . . . . 14 VAL HB . 27146 1 132 . 1 1 14 14 VAL HG11 H 1 0.890 0.008 . 2 . . . . . 14 VAL HG11 . 27146 1 133 . 1 1 14 14 VAL HG12 H 1 0.890 0.008 . 2 . . . . . 14 VAL HG12 . 27146 1 134 . 1 1 14 14 VAL HG13 H 1 0.890 0.008 . 2 . . . . . 14 VAL HG13 . 27146 1 135 . 1 1 14 14 VAL HG21 H 1 0.890 0.008 . 2 . . . . . 14 VAL HG21 . 27146 1 136 . 1 1 14 14 VAL HG22 H 1 0.890 0.008 . 2 . . . . . 14 VAL HG22 . 27146 1 137 . 1 1 14 14 VAL HG23 H 1 0.890 0.008 . 2 . . . . . 14 VAL HG23 . 27146 1 138 . 1 1 14 14 VAL C C 13 176.256 0.063 . 1 . . . . . 14 VAL C . 27146 1 139 . 1 1 15 15 THR N N 15 117.948 0.088 . 1 . . . . . 15 THR N . 27146 1 140 . 1 1 15 15 THR H H 1 8.207 0.006 . 1 . . . . . 15 THR HN . 27146 1 141 . 1 1 15 15 THR CA C 13 61.674 0.021 . 1 . . . . . 15 THR CA . 27146 1 142 . 1 1 15 15 THR HA H 1 4.350 0.009 . 1 . . . . . 15 THR HA . 27146 1 143 . 1 1 15 15 THR CB C 13 69.979 0.066 . 1 . . . . . 15 THR CB . 27146 1 144 . 1 1 15 15 THR HB H 1 4.195 0.010 . 1 . . . . . 15 THR HB . 27146 1 145 . 1 1 15 15 THR CG2 C 13 21.599 0.063 . 1 . . . . . 15 THR CG2 . 27146 1 146 . 1 1 15 15 THR C C 13 174.303 0.063 . 1 . . . . . 15 THR C . 27146 1 147 . 1 1 16 16 ALA N N 15 126.365 0.093 . 1 . . . . . 16 ALA N . 27146 1 148 . 1 1 16 16 ALA H H 1 8.391 0.006 . 1 . . . . . 16 ALA HN . 27146 1 149 . 1 1 16 16 ALA CA C 13 52.769 0.077 . 1 . . . . . 16 ALA CA . 27146 1 150 . 1 1 16 16 ALA HA H 1 4.329 0.007 . 1 . . . . . 16 ALA HA . 27146 1 151 . 1 1 16 16 ALA CB C 13 19.347 0.055 . 1 . . . . . 16 ALA CB . 27146 1 152 . 1 1 16 16 ALA HB1 H 1 1.369 0.009 . 1 . . . . . 16 ALA HB1 . 27146 1 153 . 1 1 16 16 ALA HB2 H 1 1.369 0.009 . 1 . . . . . 16 ALA HB2 . 27146 1 154 . 1 1 16 16 ALA HB3 H 1 1.369 0.009 . 1 . . . . . 16 ALA HB3 . 27146 1 155 . 1 1 16 16 ALA C C 13 177.724 0.063 . 1 . . . . . 16 ALA C . 27146 1 156 . 1 1 17 17 SER N N 15 114.820 0.087 . 1 . . . . . 17 SER N . 27146 1 157 . 1 1 17 17 SER H H 1 8.219 0.005 . 1 . . . . . 17 SER HN . 27146 1 158 . 1 1 17 17 SER CA C 13 58.437 0.040 . 1 . . . . . 17 SER CA . 27146 1 159 . 1 1 17 17 SER HA H 1 4.357 0.013 . 1 . . . . . 17 SER HA . 27146 1 160 . 1 1 17 17 SER CB C 13 63.792 0.040 . 1 . . . . . 17 SER CB . 27146 1 161 . 1 1 17 17 SER HB2 H 1 3.856 0.016 . 2 . . . . . 17 SER HB2 . 27146 1 162 . 1 1 17 17 SER HB3 H 1 3.838 0.013 . 2 . . . . . 17 SER HB3 . 27146 1 163 . 1 1 17 17 SER C C 13 174.675 0.063 . 1 . . . . . 17 SER C . 27146 1 164 . 1 1 18 18 ALA N N 15 125.480 0.075 . 1 . . . . . 18 ALA N . 27146 1 165 . 1 1 18 18 ALA H H 1 8.269 0.009 . 1 . . . . . 18 ALA HN . 27146 1 166 . 1 1 18 18 ALA CA C 13 53.296 0.035 . 1 . . . . . 18 ALA CA . 27146 1 167 . 1 1 18 18 ALA HA H 1 4.238 0.008 . 1 . . . . . 18 ALA HA . 27146 1 168 . 1 1 18 18 ALA CB C 13 19.085 0.065 . 1 . . . . . 18 ALA CB . 27146 1 169 . 1 1 18 18 ALA HB1 H 1 1.345 0.006 . 1 . . . . . 18 ALA HB1 . 27146 1 170 . 1 1 18 18 ALA HB2 H 1 1.345 0.006 . 1 . . . . . 18 ALA HB2 . 27146 1 171 . 1 1 18 18 ALA HB3 H 1 1.345 0.006 . 1 . . . . . 18 ALA HB3 . 27146 1 172 . 1 1 18 18 ALA C C 13 177.873 0.063 . 1 . . . . . 18 ALA C . 27146 1 173 . 1 1 19 19 HIS N N 15 116.580 0.116 . 1 . . . . . 19 HIS N . 27146 1 174 . 1 1 19 19 HIS H H 1 8.207 0.023 . 1 . . . . . 19 HIS HN . 27146 1 175 . 1 1 19 19 HIS CA C 13 56.314 0.113 . 1 . . . . . 19 HIS CA . 27146 1 176 . 1 1 19 19 HIS HA H 1 4.649 0.016 . 1 . . . . . 19 HIS HA . 27146 1 177 . 1 1 19 19 HIS CB C 13 30.554 0.073 . 1 . . . . . 19 HIS CB . 27146 1 178 . 1 1 19 19 HIS HB2 H 1 3.226 0.027 . 2 . . . . . 19 HIS HB2 . 27146 1 179 . 1 1 19 19 HIS HB3 H 1 3.121 0.025 . 2 . . . . . 19 HIS HB3 . 27146 1 180 . 1 1 19 19 HIS CD2 C 13 120.050 0.245 . 1 . . . . . 19 HIS CD2 . 27146 1 181 . 1 1 19 19 HIS HD2 H 1 7.105 0.023 . 1 . . . . . 19 HIS HD2 . 27146 1 182 . 1 1 19 19 HIS HE1 H 1 7.962 0.003 . 1 . . . . . 19 HIS HE1 . 27146 1 183 . 1 1 19 19 HIS C C 13 175.442 0.001 . 1 . . . . . 19 HIS C . 27146 1 184 . 1 1 20 20 MET N N 15 119.918 0.137 . 1 . . . . . 20 MET N . 27146 1 185 . 1 1 20 20 MET H H 1 8.058 0.006 . 1 . . . . . 20 MET HN . 27146 1 186 . 1 1 20 20 MET CA C 13 56.318 0.081 . 1 . . . . . 20 MET CA . 27146 1 187 . 1 1 20 20 MET HA H 1 4.417 0.009 . 1 . . . . . 20 MET HA . 27146 1 188 . 1 1 20 20 MET CB C 13 33.407 0.186 . 1 . . . . . 20 MET CB . 27146 1 189 . 1 1 20 20 MET CG C 13 32.273 0.001 . 1 . . . . . 20 MET CG . 27146 1 190 . 1 1 20 20 MET CE C 13 17.360 0.033 . 1 . . . . . 20 MET CE . 27146 1 191 . 1 1 20 20 MET HE1 H 1 1.983 0.008 . 1 . . . . . 20 MET HE1 . 27146 1 192 . 1 1 20 20 MET HE2 H 1 1.983 0.008 . 1 . . . . . 20 MET HE2 . 27146 1 193 . 1 1 20 20 MET HE3 H 1 1.983 0.008 . 1 . . . . . 20 MET HE3 . 27146 1 194 . 1 1 20 20 MET C C 13 175.628 0.108 . 1 . . . . . 20 MET C . 27146 1 195 . 1 1 21 21 LYS N N 15 119.803 0.097 . 1 . . . . . 21 LYS N . 27146 1 196 . 1 1 21 21 LYS H H 1 8.591 0.020 . 1 . . . . . 21 LYS HN . 27146 1 197 . 1 1 21 21 LYS CA C 13 55.386 0.038 . 1 . . . . . 21 LYS CA . 27146 1 198 . 1 1 21 21 LYS HA H 1 4.567 0.012 . 1 . . . . . 21 LYS HA . 27146 1 199 . 1 1 21 21 LYS CB C 13 32.678 0.186 . 1 . . . . . 21 LYS CB . 27146 1 200 . 1 1 21 21 LYS HB2 H 1 1.940 0.018 . 2 . . . . . 21 LYS HB2 . 27146 1 201 . 1 1 21 21 LYS HB3 H 1 1.819 0.002 . 2 . . . . . 21 LYS HB3 . 27146 1 202 . 1 1 22 22 HIS CA C 13 54.749 0.070 . 1 . . . . . 22 HIS CA . 27146 1 203 . 1 1 22 22 HIS HA H 1 4.844 0.006 . 1 . . . . . 22 HIS HA . 27146 1 204 . 1 1 22 22 HIS CB C 13 30.273 0.152 . 1 . . . . . 22 HIS CB . 27146 1 205 . 1 1 22 22 HIS HB2 H 1 3.161 0.005 . 2 . . . . . 22 HIS HB2 . 27146 1 206 . 1 1 22 22 HIS HB3 H 1 3.036 0.006 . 2 . . . . . 22 HIS HB3 . 27146 1 207 . 1 1 22 22 HIS CD2 C 13 120.353 0.001 . 1 . . . . . 22 HIS CD2 . 27146 1 208 . 1 1 22 22 HIS HD2 H 1 7.063 0.026 . 1 . . . . . 22 HIS HD2 . 27146 1 209 . 1 1 22 22 HIS HE1 H 1 7.931 0.003 . 1 . . . . . 22 HIS HE1 . 27146 1 210 . 1 1 22 22 HIS C C 13 173.571 0.001 . 1 . . . . . 22 HIS C . 27146 1 211 . 1 1 23 23 TRP N N 15 121.578 0.112 . 1 . . . . . 23 TRP N . 27146 1 212 . 1 1 23 23 TRP H H 1 9.203 0.006 . 1 . . . . . 23 TRP HN . 27146 1 213 . 1 1 23 23 TRP CA C 13 57.496 0.077 . 1 . . . . . 23 TRP CA . 27146 1 214 . 1 1 23 23 TRP HA H 1 4.842 0.009 . 1 . . . . . 23 TRP HA . 27146 1 215 . 1 1 23 23 TRP CB C 13 30.811 0.066 . 1 . . . . . 23 TRP CB . 27146 1 216 . 1 1 23 23 TRP HB2 H 1 3.129 0.007 . 2 . . . . . 23 TRP HB2 . 27146 1 217 . 1 1 23 23 TRP HB3 H 1 3.129 0.007 . 2 . . . . . 23 TRP HB3 . 27146 1 218 . 1 1 23 23 TRP CD1 C 13 126.622 0.001 . 1 . . . . . 23 TRP CD1 . 27146 1 219 . 1 1 23 23 TRP HD1 H 1 6.602 0.001 . 1 . . . . . 23 TRP HD1 . 27146 1 220 . 1 1 23 23 TRP NE1 N 15 128.583 0.044 . 1 . . . . . 23 TRP NE1 . 27146 1 221 . 1 1 23 23 TRP HE1 H 1 9.537 0.004 . 1 . . . . . 23 TRP HE1 . 27146 1 222 . 1 1 23 23 TRP HZ2 H 1 7.327 0.007 . 1 . . . . . 23 TRP HZ2 . 27146 1 223 . 1 1 23 23 TRP HZ3 H 1 6.492 0.001 . 1 . . . . . 23 TRP HZ3 . 27146 1 224 . 1 1 23 23 TRP HH2 H 1 6.959 0.002 . 1 . . . . . 23 TRP HH2 . 27146 1 225 . 1 1 23 23 TRP C C 13 174.238 0.001 . 1 . . . . . 23 TRP C . 27146 1 226 . 1 1 24 24 LEU N N 15 126.340 0.233 . 1 . . . . . 24 LEU N . 27146 1 227 . 1 1 24 24 LEU H H 1 8.456 0.010 . 1 . . . . . 24 LEU HN . 27146 1 228 . 1 1 24 24 LEU CA C 13 59.074 0.080 . 1 . . . . . 24 LEU CA . 27146 1 229 . 1 1 24 24 LEU HA H 1 3.173 0.015 . 1 . . . . . 24 LEU HA . 27146 1 230 . 1 1 24 24 LEU CB C 13 42.920 0.132 . 1 . . . . . 24 LEU CB . 27146 1 231 . 1 1 24 24 LEU HB2 H 1 1.536 0.013 . 2 . . . . . 24 LEU HB2 . 27146 1 232 . 1 1 24 24 LEU HB3 H 1 0.730 0.018 . 2 . . . . . 24 LEU HB3 . 27146 1 233 . 1 1 24 24 LEU HG H 1 0.667 0.018 . 1 . . . . . 24 LEU HG . 27146 1 234 . 1 1 24 24 LEU CD1 C 13 26.543 0.150 . 2 . . . . . 24 LEU CD1 . 27146 1 235 . 1 1 24 24 LEU HD11 H 1 0.340 0.014 . 2 . . . . . 24 LEU HD11 . 27146 1 236 . 1 1 24 24 LEU HD12 H 1 0.340 0.014 . 2 . . . . . 24 LEU HD12 . 27146 1 237 . 1 1 24 24 LEU HD13 H 1 0.340 0.014 . 2 . . . . . 24 LEU HD13 . 27146 1 238 . 1 1 24 24 LEU CD2 C 13 22.367 0.034 . 2 . . . . . 24 LEU CD2 . 27146 1 239 . 1 1 24 24 LEU HD21 H 1 -0.456 0.006 . 2 . . . . . 24 LEU HD21 . 27146 1 240 . 1 1 24 24 LEU HD22 H 1 -0.456 0.006 . 2 . . . . . 24 LEU HD22 . 27146 1 241 . 1 1 24 24 LEU HD23 H 1 -0.456 0.006 . 2 . . . . . 24 LEU HD23 . 27146 1 242 . 1 1 24 24 LEU C C 13 177.540 0.001 . 1 . . . . . 24 LEU C . 27146 1 243 . 1 1 25 25 GLU N N 15 117.427 0.088 . 1 . . . . . 25 GLU N . 27146 1 244 . 1 1 25 25 GLU H H 1 9.622 0.005 . 1 . . . . . 25 GLU HN . 27146 1 245 . 1 1 25 25 GLU CA C 13 61.278 0.022 . 1 . . . . . 25 GLU CA . 27146 1 246 . 1 1 25 25 GLU HA H 1 4.284 0.003 . 1 . . . . . 25 GLU HA . 27146 1 247 . 1 1 25 25 GLU CB C 13 27.199 0.001 . 1 . . . . . 25 GLU CB . 27146 1 248 . 1 1 25 25 GLU HB2 H 1 1.444 0.001 . 1 . . . . . 25 GLU HB2 . 27146 1 249 . 1 1 25 25 GLU HG2 H 1 2.287 0.001 . 1 . . . . . 25 GLU HG1 . 27146 1 250 . 1 1 25 25 GLU HG3 H 1 2.287 0.001 . 1 . . . . . 25 GLU HG2 . 27146 1 251 . 1 1 26 26 PRO CA C 13 66.042 0.081 . 1 . . . . . 26 PRO CA . 27146 1 252 . 1 1 26 26 PRO HA H 1 4.260 0.012 . 1 . . . . . 26 PRO HA . 27146 1 253 . 1 1 26 26 PRO CB C 13 31.033 0.094 . 1 . . . . . 26 PRO CB . 27146 1 254 . 1 1 26 26 PRO HB2 H 1 2.292 0.016 . 2 . . . . . 26 PRO HB2 . 27146 1 255 . 1 1 26 26 PRO HB3 H 1 2.108 0.007 . 2 . . . . . 26 PRO HB3 . 27146 1 256 . 1 1 26 26 PRO CG C 13 28.459 0.041 . 1 . . . . . 26 PRO CG . 27146 1 257 . 1 1 26 26 PRO HG2 H 1 2.124 0.001 . 2 . . . . . 26 PRO HG2 . 27146 1 258 . 1 1 26 26 PRO HG3 H 1 1.972 0.024 . 2 . . . . . 26 PRO HG3 . 27146 1 259 . 1 1 26 26 PRO CD C 13 49.213 0.031 . 1 . . . . . 26 PRO CD . 27146 1 260 . 1 1 26 26 PRO HD2 H 1 3.418 0.067 . 1 . . . . . 26 PRO HD1 . 27146 1 261 . 1 1 26 26 PRO HD3 H 1 3.339 0.014 . 1 . . . . . 26 PRO HD2 . 27146 1 262 . 1 1 26 26 PRO C C 13 179.171 0.063 . 1 . . . . . 26 PRO C . 27146 1 263 . 1 1 27 27 VAL N N 15 115.479 0.093 . 1 . . . . . 27 VAL N . 27146 1 264 . 1 1 27 27 VAL H H 1 8.135 0.007 . 1 . . . . . 27 VAL HN . 27146 1 265 . 1 1 27 27 VAL CA C 13 66.186 0.068 . 1 . . . . . 27 VAL CA . 27146 1 266 . 1 1 27 27 VAL HA H 1 3.875 0.013 . 1 . . . . . 27 VAL HA . 27146 1 267 . 1 1 27 27 VAL CB C 13 32.688 0.080 . 1 . . . . . 27 VAL CB . 27146 1 268 . 1 1 27 27 VAL HB H 1 2.492 0.012 . 1 . . . . . 27 VAL HB . 27146 1 269 . 1 1 27 27 VAL CG1 C 13 24.769 0.042 . 2 . . . . . 27 VAL CG1 . 27146 1 270 . 1 1 27 27 VAL HG11 H 1 1.312 0.148 . 2 . . . . . 27 VAL HG11 . 27146 1 271 . 1 1 27 27 VAL HG12 H 1 1.312 0.148 . 2 . . . . . 27 VAL HG12 . 27146 1 272 . 1 1 27 27 VAL HG13 H 1 1.312 0.148 . 2 . . . . . 27 VAL HG13 . 27146 1 273 . 1 1 27 27 VAL CG2 C 13 21.145 0.102 . 2 . . . . . 27 VAL CG2 . 27146 1 274 . 1 1 27 27 VAL HG21 H 1 0.982 0.007 . 2 . . . . . 27 VAL HG21 . 27146 1 275 . 1 1 27 27 VAL HG22 H 1 0.982 0.007 . 2 . . . . . 27 VAL HG22 . 27146 1 276 . 1 1 27 27 VAL HG23 H 1 0.982 0.007 . 2 . . . . . 27 VAL HG23 . 27146 1 277 . 1 1 27 27 VAL C C 13 177.476 0.088 . 1 . . . . . 27 VAL C . 27146 1 278 . 1 1 28 28 LEU N N 15 114.367 0.086 . 1 . . . . . 28 LEU N . 27146 1 279 . 1 1 28 28 LEU H H 1 8.249 0.010 . 1 . . . . . 28 LEU HN . 27146 1 280 . 1 1 28 28 LEU CA C 13 56.469 0.070 . 1 . . . . . 28 LEU CA . 27146 1 281 . 1 1 28 28 LEU HA H 1 4.488 0.009 . 1 . . . . . 28 LEU HA . 27146 1 282 . 1 1 28 28 LEU CB C 13 40.759 0.125 . 1 . . . . . 28 LEU CB . 27146 1 283 . 1 1 28 28 LEU HB2 H 1 2.128 0.013 . 2 . . . . . 28 LEU HB2 . 27146 1 284 . 1 1 28 28 LEU HB3 H 1 1.457 0.005 . 2 . . . . . 28 LEU HB3 . 27146 1 285 . 1 1 28 28 LEU C C 13 178.535 0.063 . 1 . . . . . 28 LEU C . 27146 1 286 . 1 1 29 29 CYS N N 15 109.606 0.063 . 1 . . . . . 29 CYS N . 27146 1 287 . 1 1 29 29 CYS H H 1 7.977 0.014 . 1 . . . . . 29 CYS HN . 27146 1 288 . 1 1 29 29 CYS CA C 13 59.779 0.044 . 1 . . . . . 29 CYS CA . 27146 1 289 . 1 1 29 29 CYS HA H 1 4.557 0.017 . 1 . . . . . 29 CYS HA . 27146 1 290 . 1 1 29 29 CYS CB C 13 28.345 0.309 . 1 . . . . . 29 CYS CB . 27146 1 291 . 1 1 29 29 CYS HB2 H 1 3.167 0.015 . 2 . . . . . 29 CYS HB2 . 27146 1 292 . 1 1 29 29 CYS HB3 H 1 3.167 0.015 . 2 . . . . . 29 CYS HB3 . 27146 1 293 . 1 1 29 29 CYS C C 13 174.274 0.001 . 1 . . . . . 29 CYS C . 27146 1 294 . 1 1 30 30 GLU N N 15 117.594 0.061 . 1 . . . . . 30 GLU N . 27146 1 295 . 1 1 30 30 GLU H H 1 7.011 0.007 . 1 . . . . . 30 GLU HN . 27146 1 296 . 1 1 30 30 GLU CA C 13 56.487 0.052 . 1 . . . . . 30 GLU CA . 27146 1 297 . 1 1 30 30 GLU HA H 1 4.400 0.010 . 1 . . . . . 30 GLU HA . 27146 1 298 . 1 1 30 30 GLU CB C 13 30.973 0.049 . 1 . . . . . 30 GLU CB . 27146 1 299 . 1 1 30 30 GLU HB2 H 1 2.231 0.024 . 2 . . . . . 30 GLU HB2 . 27146 1 300 . 1 1 30 30 GLU HB3 H 1 2.161 0.024 . 2 . . . . . 30 GLU HB3 . 27146 1 301 . 1 1 30 30 GLU C C 13 176.151 0.001 . 1 . . . . . 30 GLU C . 27146 1 302 . 1 1 31 31 ALA N N 15 123.892 0.058 . 1 . . . . . 31 ALA N . 27146 1 303 . 1 1 31 31 ALA H H 1 7.943 0.008 . 1 . . . . . 31 ALA HN . 27146 1 304 . 1 1 31 31 ALA CA C 13 52.461 0.031 . 1 . . . . . 31 ALA CA . 27146 1 305 . 1 1 31 31 ALA HA H 1 4.324 0.011 . 1 . . . . . 31 ALA HA . 27146 1 306 . 1 1 31 31 ALA CB C 13 19.988 0.081 . 1 . . . . . 31 ALA CB . 27146 1 307 . 1 1 31 31 ALA HB1 H 1 1.551 0.007 . 1 . . . . . 31 ALA HB1 . 27146 1 308 . 1 1 31 31 ALA HB2 H 1 1.551 0.007 . 1 . . . . . 31 ALA HB2 . 27146 1 309 . 1 1 31 31 ALA HB3 H 1 1.551 0.007 . 1 . . . . . 31 ALA HB3 . 27146 1 310 . 1 1 31 31 ALA C C 13 177.461 0.063 . 1 . . . . . 31 ALA C . 27146 1 311 . 1 1 32 32 GLY N N 15 107.337 0.085 . 1 . . . . . 32 GLY N . 27146 1 312 . 1 1 32 32 GLY H H 1 8.435 0.016 . 1 . . . . . 32 GLY HN . 27146 1 313 . 1 1 32 32 GLY CA C 13 45.546 0.049 . 1 . . . . . 32 GLY CA . 27146 1 314 . 1 1 32 32 GLY HA2 H 1 3.671 0.006 . 2 . . . . . 32 GLY HA2 . 27146 1 315 . 1 1 32 32 GLY HA3 H 1 4.005 0.006 . 2 . . . . . 32 GLY HA3 . 27146 1 316 . 1 1 33 33 LEU N N 15 125.709 0.072 . 1 . . . . . 33 LEU N . 27146 1 317 . 1 1 33 33 LEU H H 1 8.362 0.007 . 1 . . . . . 33 LEU HN . 27146 1 318 . 1 1 33 33 LEU CA C 13 56.074 0.036 . 1 . . . . . 33 LEU CA . 27146 1 319 . 1 1 33 33 LEU HA H 1 4.300 0.009 . 1 . . . . . 33 LEU HA . 27146 1 320 . 1 1 33 33 LEU CB C 13 43.401 0.088 . 1 . . . . . 33 LEU CB . 27146 1 321 . 1 1 33 33 LEU HB2 H 1 1.704 0.016 . 2 . . . . . 33 LEU HB2 . 27146 1 322 . 1 1 33 33 LEU HB3 H 1 1.826 0.017 . 2 . . . . . 33 LEU HB3 . 27146 1 323 . 1 1 33 33 LEU CG C 13 26.867 0.094 . 1 . . . . . 33 LEU CG . 27146 1 324 . 1 1 33 33 LEU HG H 1 2.047 0.007 . 1 . . . . . 33 LEU HG . 27146 1 325 . 1 1 33 33 LEU CD1 C 13 25.007 0.029 . 2 . . . . . 33 LEU CD1 . 27146 1 326 . 1 1 33 33 LEU HD11 H 1 1.254 0.007 . 2 . . . . . 33 LEU HD11 . 27146 1 327 . 1 1 33 33 LEU HD12 H 1 1.254 0.007 . 2 . . . . . 33 LEU HD12 . 27146 1 328 . 1 1 33 33 LEU HD13 H 1 1.254 0.007 . 2 . . . . . 33 LEU HD13 . 27146 1 329 . 1 1 33 33 LEU CD2 C 13 25.383 0.045 . 2 . . . . . 33 LEU CD2 . 27146 1 330 . 1 1 33 33 LEU HD21 H 1 1.203 0.010 . 2 . . . . . 33 LEU HD21 . 27146 1 331 . 1 1 33 33 LEU HD22 H 1 1.203 0.010 . 2 . . . . . 33 LEU HD22 . 27146 1 332 . 1 1 33 33 LEU HD23 H 1 1.203 0.010 . 2 . . . . . 33 LEU HD23 . 27146 1 333 . 1 1 33 33 LEU C C 13 177.779 0.001 . 1 . . . . . 33 LEU C . 27146 1 334 . 1 1 34 34 GLY N N 15 113.376 0.077 . 1 . . . . . 34 GLY N . 27146 1 335 . 1 1 34 34 GLY H H 1 8.567 0.009 . 1 . . . . . 34 GLY HN . 27146 1 336 . 1 1 34 34 GLY CA C 13 44.489 0.049 . 1 . . . . . 34 GLY CA . 27146 1 337 . 1 1 34 34 GLY C C 13 172.531 0.001 . 1 . . . . . 34 GLY C . 27146 1 338 . 1 1 35 35 HIS N N 15 117.553 0.095 . 1 . . . . . 35 HIS N . 27146 1 339 . 1 1 35 35 HIS H H 1 8.200 0.010 . 1 . . . . . 35 HIS HN . 27146 1 340 . 1 1 35 35 HIS CA C 13 56.575 0.049 . 1 . . . . . 35 HIS CA . 27146 1 341 . 1 1 35 35 HIS CB C 13 30.836 0.109 . 1 . . . . . 35 HIS CB . 27146 1 342 . 1 1 35 35 HIS CD2 C 13 120.136 0.001 . 1 . . . . . 35 HIS CD2 . 27146 1 343 . 1 1 35 35 HIS HD2 H 1 7.025 0.004 . 1 . . . . . 35 HIS HD2 . 27146 1 344 . 1 1 36 36 ASN N N 15 117.460 0.088 . 1 . . . . . 36 ASN N . 27146 1 345 . 1 1 36 36 ASN H H 1 8.185 0.004 . 1 . . . . . 36 ASN HN . 27146 1 346 . 1 1 36 36 ASN CA C 13 52.454 0.065 . 1 . . . . . 36 ASN CA . 27146 1 347 . 1 1 36 36 ASN HA H 1 5.143 0.012 . 1 . . . . . 36 ASN HA . 27146 1 348 . 1 1 36 36 ASN CB C 13 40.805 0.138 . 1 . . . . . 36 ASN CB . 27146 1 349 . 1 1 36 36 ASN HB2 H 1 2.549 0.007 . 2 . . . . . 36 ASN HB2 . 27146 1 350 . 1 1 36 36 ASN HB3 H 1 2.549 0.007 . 2 . . . . . 36 ASN HB3 . 27146 1 351 . 1 1 36 36 ASN ND2 N 15 113.483 0.058 . 1 . . . . . 36 ASN ND2 . 27146 1 352 . 1 1 36 36 ASN HD21 H 1 7.413 0.007 . 1 . . . . . 36 ASN HD21 . 27146 1 353 . 1 1 36 36 ASN HD22 H 1 6.812 0.003 . 1 . . . . . 36 ASN HD22 . 27146 1 354 . 1 1 36 36 ASN C C 13 173.644 0.001 . 1 . . . . . 36 ASN C . 27146 1 355 . 1 1 37 37 TYR N N 15 123.603 0.111 . 1 . . . . . 37 TYR N . 27146 1 356 . 1 1 37 37 TYR H H 1 8.884 0.009 . 1 . . . . . 37 TYR HN . 27146 1 357 . 1 1 37 37 TYR CA C 13 57.386 0.065 . 1 . . . . . 37 TYR CA . 27146 1 358 . 1 1 37 37 TYR HA H 1 4.223 0.009 . 1 . . . . . 37 TYR HA . 27146 1 359 . 1 1 37 37 TYR CB C 13 40.673 0.111 . 1 . . . . . 37 TYR CB . 27146 1 360 . 1 1 37 37 TYR HB2 H 1 1.931 0.015 . 2 . . . . . 37 TYR HB2 . 27146 1 361 . 1 1 37 37 TYR HB3 H 1 1.163 0.007 . 2 . . . . . 37 TYR HB3 . 27146 1 362 . 1 1 37 37 TYR HD1 H 1 6.683 0.023 . 3 . . . . . 37 TYR HD1 . 27146 1 363 . 1 1 37 37 TYR HD2 H 1 6.676 0.008 . 3 . . . . . 37 TYR HD2 . 27146 1 364 . 1 1 37 37 TYR C C 13 174.438 0.063 . 1 . . . . . 37 TYR C . 27146 1 365 . 1 1 38 38 LYS N N 15 126.680 0.119 . 1 . . . . . 38 LYS N . 27146 1 366 . 1 1 38 38 LYS H H 1 8.604 0.008 . 1 . . . . . 38 LYS HN . 27146 1 367 . 1 1 38 38 LYS CA C 13 55.249 0.096 . 1 . . . . . 38 LYS CA . 27146 1 368 . 1 1 38 38 LYS HA H 1 4.920 0.014 . 1 . . . . . 38 LYS HA . 27146 1 369 . 1 1 38 38 LYS CB C 13 32.240 0.081 . 1 . . . . . 38 LYS CB . 27146 1 370 . 1 1 38 38 LYS HB2 H 1 1.812 0.006 . 2 . . . . . 38 LYS HB2 . 27146 1 371 . 1 1 38 38 LYS HB3 H 1 1.548 0.008 . 2 . . . . . 38 LYS HB3 . 27146 1 372 . 1 1 38 38 LYS CG C 13 24.995 0.056 . 1 . . . . . 38 LYS CG . 27146 1 373 . 1 1 38 38 LYS HG2 H 1 1.339 0.020 . 2 . . . . . 38 LYS HG2 . 27146 1 374 . 1 1 38 38 LYS HG3 H 1 1.315 0.019 . 2 . . . . . 38 LYS HG3 . 27146 1 375 . 1 1 38 38 LYS CD C 13 29.242 0.061 . 1 . . . . . 38 LYS CD . 27146 1 376 . 1 1 38 38 LYS HD2 H 1 1.641 0.016 . 2 . . . . . 38 LYS HD2 . 27146 1 377 . 1 1 38 38 LYS HD3 H 1 1.641 0.016 . 2 . . . . . 38 LYS HD3 . 27146 1 378 . 1 1 38 38 LYS CE C 13 41.948 0.031 . 1 . . . . . 38 LYS CE . 27146 1 379 . 1 1 38 38 LYS HE2 H 1 2.925 0.011 . 2 . . . . . 38 LYS HE2 . 27146 1 380 . 1 1 38 38 LYS HE3 H 1 2.925 0.011 . 2 . . . . . 38 LYS HE3 . 27146 1 381 . 1 1 38 38 LYS C C 13 174.668 0.001 . 1 . . . . . 38 LYS C . 27146 1 382 . 1 1 39 39 VAL N N 15 119.345 0.001 . 1 . . . . . 39 VAL N . 27146 1 383 . 1 1 39 39 VAL H H 1 7.139 0.007 . 1 . . . . . 39 VAL HN . 27146 1 384 . 1 1 39 39 VAL CA C 13 59.979 0.101 . 1 . . . . . 39 VAL CA . 27146 1 385 . 1 1 39 39 VAL HA H 1 4.291 0.009 . 1 . . . . . 39 VAL HA . 27146 1 386 . 1 1 39 39 VAL CB C 13 34.114 0.148 . 1 . . . . . 39 VAL CB . 27146 1 387 . 1 1 39 39 VAL HB H 1 1.949 0.007 . 1 . . . . . 39 VAL HB . 27146 1 388 . 1 1 39 39 VAL CG1 C 13 21.210 0.026 . 2 . . . . . 39 VAL CG1 . 27146 1 389 . 1 1 39 39 VAL HG11 H 1 0.819 0.005 . 2 . . . . . 39 VAL HG11 . 27146 1 390 . 1 1 39 39 VAL HG12 H 1 0.819 0.005 . 2 . . . . . 39 VAL HG12 . 27146 1 391 . 1 1 39 39 VAL HG13 H 1 0.819 0.005 . 2 . . . . . 39 VAL HG13 . 27146 1 392 . 1 1 39 39 VAL CG2 C 13 20.487 0.101 . 2 . . . . . 39 VAL CG2 . 27146 1 393 . 1 1 39 39 VAL HG21 H 1 0.746 0.008 . 2 . . . . . 39 VAL HG21 . 27146 1 394 . 1 1 39 39 VAL HG22 H 1 0.746 0.008 . 2 . . . . . 39 VAL HG22 . 27146 1 395 . 1 1 39 39 VAL HG23 H 1 0.746 0.008 . 2 . . . . . 39 VAL HG23 . 27146 1 396 . 1 1 39 39 VAL C C 13 172.425 0.001 . 1 . . . . . 39 VAL C . 27146 1 397 . 1 1 40 40 ASP N N 15 122.301 0.090 . 1 . . . . . 40 ASP N . 27146 1 398 . 1 1 40 40 ASP H H 1 7.806 0.003 . 1 . . . . . 40 ASP HN . 27146 1 399 . 1 1 40 40 ASP CA C 13 54.235 0.088 . 1 . . . . . 40 ASP CA . 27146 1 400 . 1 1 40 40 ASP HA H 1 5.244 0.014 . 1 . . . . . 40 ASP HA . 27146 1 401 . 1 1 40 40 ASP CB C 13 40.989 0.031 . 1 . . . . . 40 ASP CB . 27146 1 402 . 1 1 40 40 ASP HB2 H 1 2.794 0.018 . 2 . . . . . 40 ASP HB2 . 27146 1 403 . 1 1 40 40 ASP HB3 H 1 2.525 0.007 . 2 . . . . . 40 ASP HB3 . 27146 1 404 . 1 1 40 40 ASP C C 13 176.359 0.063 . 1 . . . . . 40 ASP C . 27146 1 405 . 1 1 41 41 LYS N N 15 121.130 0.063 . 1 . . . . . 41 LYS N . 27146 1 406 . 1 1 41 41 LYS H H 1 7.906 0.008 . 1 . . . . . 41 LYS HN . 27146 1 407 . 1 1 41 41 LYS CA C 13 52.933 0.073 . 1 . . . . . 41 LYS CA . 27146 1 408 . 1 1 41 41 LYS HA H 1 4.214 0.020 . 1 . . . . . 41 LYS HA . 27146 1 409 . 1 1 41 41 LYS CB C 13 37.218 0.142 . 1 . . . . . 41 LYS CB . 27146 1 410 . 1 1 41 41 LYS HB2 H 1 0.599 0.010 . 2 . . . . . 41 LYS HB2 . 27146 1 411 . 1 1 41 41 LYS HB3 H 1 0.367 0.010 . 2 . . . . . 41 LYS HB3 . 27146 1 412 . 1 1 41 41 LYS CG C 13 23.720 0.029 . 1 . . . . . 41 LYS CG . 27146 1 413 . 1 1 41 41 LYS HG2 H 1 0.598 0.006 . 2 . . . . . 41 LYS HG2 . 27146 1 414 . 1 1 41 41 LYS HG3 H 1 -0.496 0.017 . 2 . . . . . 41 LYS HG3 . 27146 1 415 . 1 1 41 41 LYS CD C 13 28.118 0.109 . 1 . . . . . 41 LYS CD . 27146 1 416 . 1 1 41 41 LYS HD2 H 1 1.187 0.010 . 2 . . . . . 41 LYS HD2 . 27146 1 417 . 1 1 41 41 LYS HD3 H 1 0.132 0.006 . 2 . . . . . 41 LYS HD3 . 27146 1 418 . 1 1 41 41 LYS CE C 13 42.007 0.084 . 1 . . . . . 41 LYS CE . 27146 1 419 . 1 1 41 41 LYS HE2 H 1 2.322 0.012 . 2 . . . . . 41 LYS HE2 . 27146 1 420 . 1 1 41 41 LYS HE3 H 1 2.322 0.012 . 2 . . . . . 41 LYS HE3 . 27146 1 421 . 1 1 41 41 LYS C C 13 174.604 0.063 . 1 . . . . . 41 LYS C . 27146 1 422 . 1 1 42 42 VAL N N 15 121.538 0.111 . 1 . . . . . 42 VAL N . 27146 1 423 . 1 1 42 42 VAL H H 1 8.103 0.008 . 1 . . . . . 42 VAL HN . 27146 1 424 . 1 1 42 42 VAL CA C 13 61.603 0.094 . 1 . . . . . 42 VAL CA . 27146 1 425 . 1 1 42 42 VAL HA H 1 5.014 0.010 . 1 . . . . . 42 VAL HA . 27146 1 426 . 1 1 42 42 VAL CB C 13 33.389 0.181 . 1 . . . . . 42 VAL CB . 27146 1 427 . 1 1 42 42 VAL HB H 1 1.620 0.008 . 1 . . . . . 42 VAL HB . 27146 1 428 . 1 1 42 42 VAL CG1 C 13 22.027 0.023 . 2 . . . . . 42 VAL CG1 . 27146 1 429 . 1 1 42 42 VAL HG11 H 1 0.670 0.010 . 2 . . . . . 42 VAL HG11 . 27146 1 430 . 1 1 42 42 VAL HG12 H 1 0.670 0.010 . 2 . . . . . 42 VAL HG12 . 27146 1 431 . 1 1 42 42 VAL HG13 H 1 0.670 0.010 . 2 . . . . . 42 VAL HG13 . 27146 1 432 . 1 1 42 42 VAL CG2 C 13 21.964 0.018 . 2 . . . . . 42 VAL CG2 . 27146 1 433 . 1 1 42 42 VAL HG21 H 1 -0.030 0.009 . 2 . . . . . 42 VAL HG21 . 27146 1 434 . 1 1 42 42 VAL HG22 H 1 -0.030 0.009 . 2 . . . . . 42 VAL HG22 . 27146 1 435 . 1 1 42 42 VAL HG23 H 1 -0.030 0.009 . 2 . . . . . 42 VAL HG23 . 27146 1 436 . 1 1 42 42 VAL C C 13 178.043 0.001 . 1 . . . . . 42 VAL C . 27146 1 437 . 1 1 43 43 LEU N N 15 126.663 0.153 . 1 . . . . . 43 LEU N . 27146 1 438 . 1 1 43 43 LEU H H 1 8.937 0.007 . 1 . . . . . 43 LEU HN . 27146 1 439 . 1 1 43 43 LEU CA C 13 53.850 0.099 . 1 . . . . . 43 LEU CA . 27146 1 440 . 1 1 43 43 LEU HA H 1 5.000 0.011 . 1 . . . . . 43 LEU HA . 27146 1 441 . 1 1 43 43 LEU CB C 13 48.732 0.098 . 1 . . . . . 43 LEU CB . 27146 1 442 . 1 1 43 43 LEU HB2 H 1 1.568 0.017 . 2 . . . . . 43 LEU HB2 . 27146 1 443 . 1 1 43 43 LEU HB3 H 1 1.356 0.013 . 2 . . . . . 43 LEU HB3 . 27146 1 444 . 1 1 43 43 LEU CG C 13 27.533 0.019 . 1 . . . . . 43 LEU CG . 27146 1 445 . 1 1 43 43 LEU HG H 1 1.830 0.011 . 1 . . . . . 43 LEU HG . 27146 1 446 . 1 1 43 43 LEU CD1 C 13 22.481 0.069 . 2 . . . . . 43 LEU CD1 . 27146 1 447 . 1 1 43 43 LEU HD11 H 1 0.762 0.026 . 2 . . . . . 43 LEU HD11 . 27146 1 448 . 1 1 43 43 LEU HD12 H 1 0.762 0.026 . 2 . . . . . 43 LEU HD12 . 27146 1 449 . 1 1 43 43 LEU HD13 H 1 0.762 0.026 . 2 . . . . . 43 LEU HD13 . 27146 1 450 . 1 1 43 43 LEU CD2 C 13 27.157 0.059 . 2 . . . . . 43 LEU CD2 . 27146 1 451 . 1 1 43 43 LEU HD21 H 1 0.610 0.019 . 2 . . . . . 43 LEU HD21 . 27146 1 452 . 1 1 43 43 LEU HD22 H 1 0.610 0.019 . 2 . . . . . 43 LEU HD22 . 27146 1 453 . 1 1 43 43 LEU HD23 H 1 0.610 0.019 . 2 . . . . . 43 LEU HD23 . 27146 1 454 . 1 1 43 43 LEU C C 13 173.566 0.001 . 1 . . . . . 43 LEU C . 27146 1 455 . 1 1 44 44 LYS N N 15 122.206 0.063 . 1 . . . . . 44 LYS N . 27146 1 456 . 1 1 44 44 LYS H H 1 9.401 0.012 . 1 . . . . . 44 LYS HN . 27146 1 457 . 1 1 44 44 LYS CA C 13 54.290 0.110 . 1 . . . . . 44 LYS CA . 27146 1 458 . 1 1 44 44 LYS HA H 1 5.182 0.019 . 1 . . . . . 44 LYS HA . 27146 1 459 . 1 1 44 44 LYS CB C 13 35.228 0.070 . 1 . . . . . 44 LYS CB . 27146 1 460 . 1 1 44 44 LYS HB2 H 1 1.726 0.018 . 2 . . . . . 44 LYS HB2 . 27146 1 461 . 1 1 44 44 LYS HB3 H 1 1.726 0.018 . 2 . . . . . 44 LYS HB3 . 27146 1 462 . 1 1 44 44 LYS CG C 13 25.381 0.001 . 1 . . . . . 44 LYS CG . 27146 1 463 . 1 1 44 44 LYS HG2 H 1 1.139 0.006 . 2 . . . . . 44 LYS HG2 . 27146 1 464 . 1 1 44 44 LYS HG3 H 1 1.139 0.006 . 2 . . . . . 44 LYS HG3 . 27146 1 465 . 1 1 44 44 LYS C C 13 176.168 0.001 . 1 . . . . . 44 LYS C . 27146 1 466 . 1 1 45 45 VAL N N 15 125.165 0.078 . 1 . . . . . 45 VAL N . 27146 1 467 . 1 1 45 45 VAL H H 1 8.687 0.008 . 1 . . . . . 45 VAL HN . 27146 1 468 . 1 1 45 45 VAL CA C 13 62.485 0.066 . 1 . . . . . 45 VAL CA . 27146 1 469 . 1 1 45 45 VAL HA H 1 4.101 0.017 . 1 . . . . . 45 VAL HA . 27146 1 470 . 1 1 45 45 VAL CB C 13 31.420 0.075 . 1 . . . . . 45 VAL CB . 27146 1 471 . 1 1 45 45 VAL HB H 1 2.447 0.018 . 1 . . . . . 45 VAL HB . 27146 1 472 . 1 1 45 45 VAL CG1 C 13 20.360 0.072 . 2 . . . . . 45 VAL CG1 . 27146 1 473 . 1 1 45 45 VAL HG11 H 1 0.798 0.008 . 2 . . . . . 45 VAL HG11 . 27146 1 474 . 1 1 45 45 VAL HG12 H 1 0.798 0.008 . 2 . . . . . 45 VAL HG12 . 27146 1 475 . 1 1 45 45 VAL HG13 H 1 0.798 0.008 . 2 . . . . . 45 VAL HG13 . 27146 1 476 . 1 1 45 45 VAL CG2 C 13 22.146 0.001 . 2 . . . . . 45 VAL CG2 . 27146 1 477 . 1 1 45 45 VAL HG21 H 1 0.716 0.009 . 2 . . . . . 45 VAL HG21 . 27146 1 478 . 1 1 45 45 VAL HG22 H 1 0.716 0.009 . 2 . . . . . 45 VAL HG22 . 27146 1 479 . 1 1 45 45 VAL HG23 H 1 0.716 0.009 . 2 . . . . . 45 VAL HG23 . 27146 1 480 . 1 1 45 45 VAL C C 13 175.462 0.001 . 1 . . . . . 45 VAL C . 27146 1 481 . 1 1 46 46 LEU N N 15 127.514 0.112 . 1 . . . . . 46 LEU N . 27146 1 482 . 1 1 46 46 LEU H H 1 8.618 0.008 . 1 . . . . . 46 LEU HN . 27146 1 483 . 1 1 46 46 LEU CA C 13 55.204 0.104 . 1 . . . . . 46 LEU CA . 27146 1 484 . 1 1 46 46 LEU HA H 1 4.579 0.014 . 1 . . . . . 46 LEU HA . 27146 1 485 . 1 1 46 46 LEU CB C 13 44.108 0.057 . 1 . . . . . 46 LEU CB . 27146 1 486 . 1 1 46 46 LEU HB2 H 1 1.411 0.016 . 2 . . . . . 46 LEU HB2 . 27146 1 487 . 1 1 46 46 LEU HB3 H 1 1.411 0.016 . 2 . . . . . 46 LEU HB3 . 27146 1 488 . 1 1 46 46 LEU CD1 C 13 22.474 0.014 . 2 . . . . . 46 LEU CD1 . 27146 1 489 . 1 1 46 46 LEU HD11 H 1 0.831 0.012 . 2 . . . . . 46 LEU HD11 . 27146 1 490 . 1 1 46 46 LEU HD12 H 1 0.831 0.012 . 2 . . . . . 46 LEU HD12 . 27146 1 491 . 1 1 46 46 LEU HD13 H 1 0.831 0.012 . 2 . . . . . 46 LEU HD13 . 27146 1 492 . 1 1 46 46 LEU CD2 C 13 26.229 0.001 . 2 . . . . . 46 LEU CD2 . 27146 1 493 . 1 1 46 46 LEU HD21 H 1 0.725 0.009 . 2 . . . . . 46 LEU HD21 . 27146 1 494 . 1 1 46 46 LEU HD22 H 1 0.725 0.009 . 2 . . . . . 46 LEU HD22 . 27146 1 495 . 1 1 46 46 LEU HD23 H 1 0.725 0.009 . 2 . . . . . 46 LEU HD23 . 27146 1 496 . 1 1 46 46 LEU C C 13 177.767 0.063 . 1 . . . . . 46 LEU C . 27146 1 497 . 1 1 47 47 ARG N N 15 117.060 0.061 . 1 . . . . . 47 ARG N . 27146 1 498 . 1 1 47 47 ARG H H 1 7.803 0.006 . 1 . . . . . 47 ARG HN . 27146 1 499 . 1 1 47 47 ARG CA C 13 56.246 0.092 . 1 . . . . . 47 ARG CA . 27146 1 500 . 1 1 47 47 ARG HA H 1 4.180 0.018 . 1 . . . . . 47 ARG HA . 27146 1 501 . 1 1 47 47 ARG CB C 13 34.080 0.134 . 1 . . . . . 47 ARG CB . 27146 1 502 . 1 1 47 47 ARG HB2 H 1 1.612 0.011 . 2 . . . . . 47 ARG HB2 . 27146 1 503 . 1 1 47 47 ARG HB3 H 1 1.324 0.012 . 2 . . . . . 47 ARG HB3 . 27146 1 504 . 1 1 47 47 ARG CG C 13 27.329 0.095 . 1 . . . . . 47 ARG CG . 27146 1 505 . 1 1 47 47 ARG HG2 H 1 1.261 0.018 . 2 . . . . . 47 ARG HG2 . 27146 1 506 . 1 1 47 47 ARG HG3 H 1 0.812 0.013 . 2 . . . . . 47 ARG HG3 . 27146 1 507 . 1 1 47 47 ARG CD C 13 42.721 0.070 . 1 . . . . . 47 ARG CD . 27146 1 508 . 1 1 47 47 ARG HD2 H 1 2.870 0.011 . 2 . . . . . 47 ARG HD2 . 27146 1 509 . 1 1 47 47 ARG HD3 H 1 2.870 0.011 . 2 . . . . . 47 ARG HD3 . 27146 1 510 . 1 1 47 47 ARG C C 13 172.983 0.001 . 1 . . . . . 47 ARG C . 27146 1 511 . 1 1 48 48 ILE N N 15 125.550 0.077 . 1 . . . . . 48 ILE N . 27146 1 512 . 1 1 48 48 ILE H H 1 8.470 0.006 . 1 . . . . . 48 ILE HN . 27146 1 513 . 1 1 48 48 ILE CA C 13 60.913 0.133 . 1 . . . . . 48 ILE CA . 27146 1 514 . 1 1 48 48 ILE HA H 1 4.333 0.012 . 1 . . . . . 48 ILE HA . 27146 1 515 . 1 1 48 48 ILE CB C 13 40.155 0.205 . 1 . . . . . 48 ILE CB . 27146 1 516 . 1 1 48 48 ILE HB H 1 1.571 0.010 . 1 . . . . . 48 ILE HB . 27146 1 517 . 1 1 48 48 ILE CG1 C 13 27.777 0.063 . 1 . . . . . 48 ILE CG1 . 27146 1 518 . 1 1 48 48 ILE HG12 H 1 1.366 0.013 . 2 . . . . . 48 ILE HG12 . 27146 1 519 . 1 1 48 48 ILE HG13 H 1 1.257 0.004 . 2 . . . . . 48 ILE HG13 . 27146 1 520 . 1 1 48 48 ILE CG2 C 13 19.193 0.119 . 1 . . . . . 48 ILE CG2 . 27146 1 521 . 1 1 48 48 ILE HG21 H 1 0.919 0.012 . 1 . . . . . 48 ILE HG21 . 27146 1 522 . 1 1 48 48 ILE HG22 H 1 0.919 0.012 . 1 . . . . . 48 ILE HG22 . 27146 1 523 . 1 1 48 48 ILE HG23 H 1 0.919 0.012 . 1 . . . . . 48 ILE HG23 . 27146 1 524 . 1 1 48 48 ILE CD1 C 13 15.920 0.056 . 1 . . . . . 48 ILE CD1 . 27146 1 525 . 1 1 48 48 ILE HD11 H 1 0.847 0.007 . 1 . . . . . 48 ILE HD11 . 27146 1 526 . 1 1 48 48 ILE HD12 H 1 0.847 0.007 . 1 . . . . . 48 ILE HD12 . 27146 1 527 . 1 1 48 48 ILE HD13 H 1 0.847 0.007 . 1 . . . . . 48 ILE HD13 . 27146 1 528 . 1 1 48 48 ILE C C 13 175.130 0.088 . 1 . . . . . 48 ILE C . 27146 1 529 . 1 1 49 49 TYR N N 15 128.109 0.128 . 1 . . . . . 49 TYR N . 27146 1 530 . 1 1 49 49 TYR H H 1 8.049 0.007 . 1 . . . . . 49 TYR HN . 27146 1 531 . 1 1 49 49 TYR CA C 13 57.416 0.106 . 1 . . . . . 49 TYR CA . 27146 1 532 . 1 1 49 49 TYR HA H 1 4.599 0.016 . 1 . . . . . 49 TYR HA . 27146 1 533 . 1 1 49 49 TYR CB C 13 37.443 0.188 . 1 . . . . . 49 TYR CB . 27146 1 534 . 1 1 49 49 TYR HB2 H 1 3.211 0.004 . 2 . . . . . 49 TYR HB2 . 27146 1 535 . 1 1 49 49 TYR HB3 H 1 2.559 0.005 . 2 . . . . . 49 TYR HB3 . 27146 1 536 . 1 1 49 49 TYR C C 13 172.440 0.001 . 1 . . . . . 49 TYR C . 27146 1 537 . 1 1 50 50 PRO CA C 13 63.062 0.065 . 1 . . . . . 50 PRO CA . 27146 1 538 . 1 1 50 50 PRO HA H 1 4.604 0.008 . 1 . . . . . 50 PRO HA . 27146 1 539 . 1 1 50 50 PRO CB C 13 34.445 0.075 . 1 . . . . . 50 PRO CB . 27146 1 540 . 1 1 50 50 PRO HB2 H 1 2.258 0.024 . 2 . . . . . 50 PRO HB2 . 27146 1 541 . 1 1 50 50 PRO HB3 H 1 2.228 0.015 . 2 . . . . . 50 PRO HB3 . 27146 1 542 . 1 1 50 50 PRO CG C 13 24.606 0.042 . 1 . . . . . 50 PRO CG . 27146 1 543 . 1 1 50 50 PRO HG2 H 1 1.920 0.016 . 2 . . . . . 50 PRO HG2 . 27146 1 544 . 1 1 50 50 PRO HG3 H 1 1.868 0.045 . 2 . . . . . 50 PRO HG3 . 27146 1 545 . 1 1 50 50 PRO CD C 13 50.472 0.038 . 1 . . . . . 50 PRO CD . 27146 1 546 . 1 1 50 50 PRO HD2 H 1 3.611 0.006 . 1 . . . . . 50 PRO HD1 . 27146 1 547 . 1 1 50 50 PRO HD3 H 1 3.472 0.015 . 1 . . . . . 50 PRO HD2 . 27146 1 548 . 1 1 51 51 ARG N N 15 117.582 0.001 . 1 . . . . . 51 ARG N . 27146 1 549 . 1 1 51 51 ARG H H 1 8.123 0.004 . 1 . . . . . 51 ARG HN . 27146 1 550 . 1 1 51 51 ARG CA C 13 54.610 0.036 . 1 . . . . . 51 ARG CA . 27146 1 551 . 1 1 51 51 ARG CB C 13 33.390 0.001 . 1 . . . . . 51 ARG CB . 27146 1 552 . 1 1 51 51 ARG C C 13 176.950 0.001 . 1 . . . . . 51 ARG C . 27146 1 553 . 1 1 52 52 SER N N 15 117.623 0.140 . 1 . . . . . 52 SER N . 27146 1 554 . 1 1 52 52 SER H H 1 8.875 0.011 . 1 . . . . . 52 SER HN . 27146 1 555 . 1 1 52 52 SER CA C 13 60.545 0.090 . 1 . . . . . 52 SER CA . 27146 1 556 . 1 1 52 52 SER HA H 1 4.203 0.015 . 1 . . . . . 52 SER HA . 27146 1 557 . 1 1 52 52 SER CB C 13 63.511 0.001 . 1 . . . . . 52 SER CB . 27146 1 558 . 1 1 52 52 SER HB2 H 1 3.837 0.008 . 2 . . . . . 52 SER HB2 . 27146 1 559 . 1 1 52 52 SER HB3 H 1 3.837 0.008 . 2 . . . . . 52 SER HB3 . 27146 1 560 . 1 1 52 52 SER C C 13 174.394 0.001 . 1 . . . . . 52 SER C . 27146 1 561 . 1 1 53 53 ASN N N 15 114.056 0.088 . 1 . . . . . 53 ASN N . 27146 1 562 . 1 1 53 53 ASN H H 1 7.749 0.006 . 1 . . . . . 53 ASN HN . 27146 1 563 . 1 1 53 53 ASN CA C 13 52.813 0.061 . 1 . . . . . 53 ASN CA . 27146 1 564 . 1 1 53 53 ASN HA H 1 4.750 0.009 . 1 . . . . . 53 ASN HA . 27146 1 565 . 1 1 53 53 ASN CB C 13 39.620 0.173 . 1 . . . . . 53 ASN CB . 27146 1 566 . 1 1 53 53 ASN HB2 H 1 3.081 0.006 . 2 . . . . . 53 ASN HB2 . 27146 1 567 . 1 1 53 53 ASN HB3 H 1 2.991 0.018 . 2 . . . . . 53 ASN HB3 . 27146 1 568 . 1 1 53 53 ASN CG C 13 177.182 0.063 . 1 . . . . . 53 ASN CG . 27146 1 569 . 1 1 53 53 ASN ND2 N 15 115.414 0.180 . 1 . . . . . 53 ASN ND2 . 27146 1 570 . 1 1 53 53 ASN HD21 H 1 7.685 0.001 . 1 . . . . . 53 ASN HD21 . 27146 1 571 . 1 1 53 53 ASN HD22 H 1 6.922 0.004 . 1 . . . . . 53 ASN HD22 . 27146 1 572 . 1 1 53 53 ASN C C 13 175.784 0.063 . 1 . . . . . 53 ASN C . 27146 1 573 . 1 1 54 54 THR N N 15 109.987 0.077 . 1 . . . . . 54 THR N . 27146 1 574 . 1 1 54 54 THR H H 1 8.272 0.004 . 1 . . . . . 54 THR HN . 27146 1 575 . 1 1 54 54 THR CA C 13 63.896 0.070 . 1 . . . . . 54 THR CA . 27146 1 576 . 1 1 54 54 THR HA H 1 4.044 0.010 . 1 . . . . . 54 THR HA . 27146 1 577 . 1 1 54 54 THR CB C 13 68.807 0.106 . 1 . . . . . 54 THR CB . 27146 1 578 . 1 1 54 54 THR HB H 1 4.458 0.013 . 1 . . . . . 54 THR HB . 27146 1 579 . 1 1 54 54 THR CG2 C 13 22.214 0.045 . 1 . . . . . 54 THR CG2 . 27146 1 580 . 1 1 54 54 THR C C 13 174.804 0.001 . 1 . . . . . 54 THR C . 27146 1 581 . 1 1 55 55 LEU N N 15 120.814 0.069 . 1 . . . . . 55 LEU N . 27146 1 582 . 1 1 55 55 LEU H H 1 8.003 0.005 . 1 . . . . . 55 LEU HN . 27146 1 583 . 1 1 55 55 LEU CA C 13 54.393 0.071 . 1 . . . . . 55 LEU CA . 27146 1 584 . 1 1 55 55 LEU HA H 1 4.342 0.007 . 1 . . . . . 55 LEU HA . 27146 1 585 . 1 1 55 55 LEU CB C 13 41.699 0.116 . 1 . . . . . 55 LEU CB . 27146 1 586 . 1 1 55 55 LEU HB2 H 1 1.389 0.012 . 2 . . . . . 55 LEU HB2 . 27146 1 587 . 1 1 55 55 LEU HB3 H 1 1.389 0.012 . 2 . . . . . 55 LEU HB3 . 27146 1 588 . 1 1 55 55 LEU CG C 13 27.146 0.091 . 1 . . . . . 55 LEU CG . 27146 1 589 . 1 1 55 55 LEU HG H 1 1.378 0.005 . 1 . . . . . 55 LEU HG . 27146 1 590 . 1 1 55 55 LEU CD1 C 13 25.098 0.031 . 2 . . . . . 55 LEU CD1 . 27146 1 591 . 1 1 55 55 LEU HD11 H 1 0.705 0.007 . 2 . . . . . 55 LEU HD11 . 27146 1 592 . 1 1 55 55 LEU HD12 H 1 0.705 0.007 . 2 . . . . . 55 LEU HD12 . 27146 1 593 . 1 1 55 55 LEU HD13 H 1 0.705 0.007 . 2 . . . . . 55 LEU HD13 . 27146 1 594 . 1 1 55 55 LEU CD2 C 13 23.007 0.071 . 2 . . . . . 55 LEU CD2 . 27146 1 595 . 1 1 55 55 LEU HD21 H 1 0.565 0.007 . 2 . . . . . 55 LEU HD21 . 27146 1 596 . 1 1 55 55 LEU HD22 H 1 0.565 0.007 . 2 . . . . . 55 LEU HD22 . 27146 1 597 . 1 1 55 55 LEU HD23 H 1 0.565 0.007 . 2 . . . . . 55 LEU HD23 . 27146 1 598 . 1 1 55 55 LEU C C 13 176.776 0.063 . 1 . . . . . 55 LEU C . 27146 1 599 . 1 1 56 56 SER N N 15 114.476 0.100 . 1 . . . . . 56 SER N . 27146 1 600 . 1 1 56 56 SER H H 1 7.356 0.015 . 1 . . . . . 56 SER HN . 27146 1 601 . 1 1 56 56 SER CA C 13 58.556 0.053 . 1 . . . . . 56 SER CA . 27146 1 602 . 1 1 56 56 SER HA H 1 4.632 0.005 . 1 . . . . . 56 SER HA . 27146 1 603 . 1 1 56 56 SER CB C 13 64.944 0.034 . 1 . . . . . 56 SER CB . 27146 1 604 . 1 1 56 56 SER HB2 H 1 4.081 0.013 . 2 . . . . . 56 SER HB2 . 27146 1 605 . 1 1 56 56 SER HB3 H 1 3.922 0.024 . 2 . . . . . 56 SER HB3 . 27146 1 606 . 1 1 56 56 SER C C 13 173.723 0.063 . 1 . . . . . 56 SER C . 27146 1 607 . 1 1 57 57 SER N N 15 116.428 0.120 . 1 . . . . . 57 SER N . 27146 1 608 . 1 1 57 57 SER H H 1 8.521 0.012 . 1 . . . . . 57 SER HN . 27146 1 609 . 1 1 57 57 SER CA C 13 59.126 0.140 . 1 . . . . . 57 SER CA . 27146 1 610 . 1 1 57 57 SER HA H 1 4.729 0.008 . 1 . . . . . 57 SER HA . 27146 1 611 . 1 1 57 57 SER CB C 13 64.702 0.073 . 1 . . . . . 57 SER CB . 27146 1 612 . 1 1 57 57 SER HB2 H 1 3.866 0.011 . 2 . . . . . 57 SER HB2 . 27146 1 613 . 1 1 57 57 SER HB3 H 1 3.711 0.007 . 2 . . . . . 57 SER HB3 . 27146 1 614 . 1 1 57 57 SER C C 13 172.552 0.001 . 1 . . . . . 57 SER C . 27146 1 615 . 1 1 58 58 LEU N N 15 124.101 0.191 . 1 . . . . . 58 LEU N . 27146 1 616 . 1 1 58 58 LEU H H 1 8.804 0.010 . 1 . . . . . 58 LEU HN . 27146 1 617 . 1 1 58 58 LEU CA C 13 51.165 0.085 . 1 . . . . . 58 LEU CA . 27146 1 618 . 1 1 58 58 LEU HA H 1 4.964 0.015 . 1 . . . . . 58 LEU HA . 27146 1 619 . 1 1 58 58 LEU CB C 13 47.083 0.221 . 1 . . . . . 58 LEU CB . 27146 1 620 . 1 1 58 58 LEU HB2 H 1 2.034 0.022 . 2 . . . . . 58 LEU HB2 . 27146 1 621 . 1 1 58 58 LEU HB3 H 1 1.255 0.008 . 2 . . . . . 58 LEU HB3 . 27146 1 622 . 1 1 58 58 LEU HD11 H 1 0.869 0.019 . 2 . . . . . 58 LEU HD11 . 27146 1 623 . 1 1 58 58 LEU HD12 H 1 0.869 0.019 . 2 . . . . . 58 LEU HD12 . 27146 1 624 . 1 1 58 58 LEU HD13 H 1 0.869 0.019 . 2 . . . . . 58 LEU HD13 . 27146 1 625 . 1 1 58 58 LEU CD2 C 13 27.393 0.025 . 2 . . . . . 58 LEU CD2 . 27146 1 626 . 1 1 58 58 LEU HD21 H 1 0.692 0.005 . 2 . . . . . 58 LEU HD21 . 27146 1 627 . 1 1 58 58 LEU HD22 H 1 0.692 0.005 . 2 . . . . . 58 LEU HD22 . 27146 1 628 . 1 1 58 58 LEU HD23 H 1 0.692 0.005 . 2 . . . . . 58 LEU HD23 . 27146 1 629 . 1 1 58 58 LEU C C 13 180.090 0.001 . 1 . . . . . 58 LEU C . 27146 1 630 . 1 1 59 59 PRO CA C 13 61.226 0.038 . 1 . . . . . 59 PRO CA . 27146 1 631 . 1 1 59 59 PRO HA H 1 5.014 0.010 . 1 . . . . . 59 PRO HA . 27146 1 632 . 1 1 59 59 PRO CB C 13 31.006 0.001 . 1 . . . . . 59 PRO CB . 27146 1 633 . 1 1 59 59 PRO C C 13 176.070 0.001 . 1 . . . . . 59 PRO C . 27146 1 634 . 1 1 60 60 LEU N N 15 121.795 0.077 . 1 . . . . . 60 LEU N . 27146 1 635 . 1 1 60 60 LEU H H 1 9.463 0.013 . 1 . . . . . 60 LEU HN . 27146 1 636 . 1 1 60 60 LEU CA C 13 54.069 0.096 . 1 . . . . . 60 LEU CA . 27146 1 637 . 1 1 60 60 LEU HA H 1 5.388 0.014 . 1 . . . . . 60 LEU HA . 27146 1 638 . 1 1 60 60 LEU CB C 13 49.318 0.158 . 1 . . . . . 60 LEU CB . 27146 1 639 . 1 1 60 60 LEU HB2 H 1 1.356 0.027 . 2 . . . . . 60 LEU HB2 . 27146 1 640 . 1 1 60 60 LEU HB3 H 1 1.356 0.027 . 2 . . . . . 60 LEU HB3 . 27146 1 641 . 1 1 60 60 LEU CG C 13 26.335 0.001 . 1 . . . . . 60 LEU CG . 27146 1 642 . 1 1 60 60 LEU HG H 1 1.796 0.011 . 1 . . . . . 60 LEU HG . 27146 1 643 . 1 1 60 60 LEU CD1 C 13 25.155 0.113 . 2 . . . . . 60 LEU CD1 . 27146 1 644 . 1 1 60 60 LEU HD11 H 1 0.902 0.012 . 2 . . . . . 60 LEU HD11 . 27146 1 645 . 1 1 60 60 LEU HD12 H 1 0.902 0.012 . 2 . . . . . 60 LEU HD12 . 27146 1 646 . 1 1 60 60 LEU HD13 H 1 0.902 0.012 . 2 . . . . . 60 LEU HD13 . 27146 1 647 . 1 1 60 60 LEU CD2 C 13 25.691 0.022 . 2 . . . . . 60 LEU CD2 . 27146 1 648 . 1 1 60 60 LEU HD21 H 1 0.478 0.009 . 2 . . . . . 60 LEU HD21 . 27146 1 649 . 1 1 60 60 LEU HD22 H 1 0.478 0.009 . 2 . . . . . 60 LEU HD22 . 27146 1 650 . 1 1 60 60 LEU HD23 H 1 0.478 0.009 . 2 . . . . . 60 LEU HD23 . 27146 1 651 . 1 1 60 60 LEU C C 13 175.035 0.063 . 1 . . . . . 60 LEU C . 27146 1 652 . 1 1 61 61 CYS N N 15 119.172 0.056 . 1 . . . . . 61 CYS N . 27146 1 653 . 1 1 61 61 CYS H H 1 8.707 0.009 . 1 . . . . . 61 CYS HN . 27146 1 654 . 1 1 61 61 CYS CA C 13 58.044 0.110 . 1 . . . . . 61 CYS CA . 27146 1 655 . 1 1 61 61 CYS HA H 1 5.273 0.012 . 1 . . . . . 61 CYS HA . 27146 1 656 . 1 1 61 61 CYS CB C 13 28.369 0.107 . 1 . . . . . 61 CYS CB . 27146 1 657 . 1 1 61 61 CYS HB2 H 1 3.330 0.007 . 2 . . . . . 61 CYS HB2 . 27146 1 658 . 1 1 61 61 CYS HB3 H 1 2.847 0.011 . 2 . . . . . 61 CYS HB3 . 27146 1 659 . 1 1 61 61 CYS C C 13 173.785 0.088 . 1 . . . . . 61 CYS C . 27146 1 660 . 1 1 62 62 LEU N N 15 128.619 0.147 . 1 . . . . . 62 LEU N . 27146 1 661 . 1 1 62 62 LEU H H 1 8.888 0.010 . 1 . . . . . 62 LEU HN . 27146 1 662 . 1 1 62 62 LEU CA C 13 52.605 0.131 . 1 . . . . . 62 LEU CA . 27146 1 663 . 1 1 62 62 LEU HA H 1 5.769 0.013 . 1 . . . . . 62 LEU HA . 27146 1 664 . 1 1 62 62 LEU CB C 13 46.907 0.129 . 1 . . . . . 62 LEU CB . 27146 1 665 . 1 1 62 62 LEU HB2 H 1 1.451 0.007 . 2 . . . . . 62 LEU HB2 . 27146 1 666 . 1 1 62 62 LEU HB3 H 1 1.451 0.007 . 2 . . . . . 62 LEU HB3 . 27146 1 667 . 1 1 62 62 LEU CG C 13 26.928 0.001 . 1 . . . . . 62 LEU CG . 27146 1 668 . 1 1 62 62 LEU HG H 1 0.836 0.001 . 1 . . . . . 62 LEU HG . 27146 1 669 . 1 1 62 62 LEU CD1 C 13 26.887 0.307 . 2 . . . . . 62 LEU CD1 . 27146 1 670 . 1 1 62 62 LEU HD11 H 1 0.919 0.030 . 2 . . . . . 62 LEU HD11 . 27146 1 671 . 1 1 62 62 LEU HD12 H 1 0.919 0.030 . 2 . . . . . 62 LEU HD12 . 27146 1 672 . 1 1 62 62 LEU HD13 H 1 0.919 0.030 . 2 . . . . . 62 LEU HD13 . 27146 1 673 . 1 1 62 62 LEU CD2 C 13 28.322 0.001 . 2 . . . . . 62 LEU CD2 . 27146 1 674 . 1 1 62 62 LEU HD21 H 1 0.546 0.009 . 2 . . . . . 62 LEU HD21 . 27146 1 675 . 1 1 62 62 LEU HD22 H 1 0.546 0.009 . 2 . . . . . 62 LEU HD22 . 27146 1 676 . 1 1 62 62 LEU HD23 H 1 0.546 0.009 . 2 . . . . . 62 LEU HD23 . 27146 1 677 . 1 1 62 62 LEU C C 13 175.613 0.088 . 1 . . . . . 62 LEU C . 27146 1 678 . 1 1 63 63 CYS N N 15 114.123 0.075 . 1 . . . . . 63 CYS N . 27146 1 679 . 1 1 63 63 CYS H H 1 9.104 0.009 . 1 . . . . . 63 CYS HN . 27146 1 680 . 1 1 63 63 CYS CA C 13 56.079 0.173 . 1 . . . . . 63 CYS CA . 27146 1 681 . 1 1 63 63 CYS HA H 1 5.605 0.019 . 1 . . . . . 63 CYS HA . 27146 1 682 . 1 1 63 63 CYS CB C 13 33.121 0.073 . 1 . . . . . 63 CYS CB . 27146 1 683 . 1 1 63 63 CYS HB2 H 1 3.087 0.006 . 2 . . . . . 63 CYS HB2 . 27146 1 684 . 1 1 63 63 CYS HB3 H 1 2.251 0.008 . 2 . . . . . 63 CYS HB3 . 27146 1 685 . 1 1 63 63 CYS C C 13 173.066 0.063 . 1 . . . . . 63 CYS C . 27146 1 686 . 1 1 64 64 ASP N N 15 124.448 0.177 . 1 . . . . . 64 ASP N . 27146 1 687 . 1 1 64 64 ASP H H 1 8.304 0.008 . 1 . . . . . 64 ASP HN . 27146 1 688 . 1 1 64 64 ASP CA C 13 52.262 0.097 . 1 . . . . . 64 ASP CA . 27146 1 689 . 1 1 64 64 ASP HA H 1 5.046 0.011 . 1 . . . . . 64 ASP HA . 27146 1 690 . 1 1 64 64 ASP CB C 13 40.849 0.095 . 1 . . . . . 64 ASP CB . 27146 1 691 . 1 1 64 64 ASP HB2 H 1 3.729 0.014 . 2 . . . . . 64 ASP HB2 . 27146 1 692 . 1 1 64 64 ASP HB3 H 1 2.111 0.012 . 2 . . . . . 64 ASP HB3 . 27146 1 693 . 1 1 64 64 ASP C C 13 175.337 0.063 . 1 . . . . . 64 ASP C . 27146 1 694 . 1 1 65 65 ALA N N 15 114.733 0.077 . 1 . . . . . 65 ALA N . 27146 1 695 . 1 1 65 65 ALA H H 1 7.505 0.008 . 1 . . . . . 65 ALA HN . 27146 1 696 . 1 1 65 65 ALA CA C 13 54.587 0.052 . 1 . . . . . 65 ALA CA . 27146 1 697 . 1 1 65 65 ALA HA H 1 3.873 0.011 . 1 . . . . . 65 ALA HA . 27146 1 698 . 1 1 65 65 ALA CB C 13 19.208 0.072 . 1 . . . . . 65 ALA CB . 27146 1 699 . 1 1 65 65 ALA HB1 H 1 1.126 0.013 . 1 . . . . . 65 ALA HB1 . 27146 1 700 . 1 1 65 65 ALA HB2 H 1 1.126 0.013 . 1 . . . . . 65 ALA HB2 . 27146 1 701 . 1 1 65 65 ALA HB3 H 1 1.126 0.013 . 1 . . . . . 65 ALA HB3 . 27146 1 702 . 1 1 65 65 ALA C C 13 176.783 0.063 . 1 . . . . . 65 ALA C . 27146 1 703 . 1 1 66 66 ASN N N 15 113.975 0.001 . 1 . . . . . 66 ASN N . 27146 1 704 . 1 1 66 66 ASN H H 1 8.459 0.006 . 1 . . . . . 66 ASN HN . 27146 1 705 . 1 1 66 66 ASN CA C 13 54.492 0.059 . 1 . . . . . 66 ASN CA . 27146 1 706 . 1 1 66 66 ASN HA H 1 4.604 0.008 . 1 . . . . . 66 ASN HA . 27146 1 707 . 1 1 66 66 ASN CB C 13 43.717 0.084 . 1 . . . . . 66 ASN CB . 27146 1 708 . 1 1 66 66 ASN HB2 H 1 2.132 0.016 . 2 . . . . . 66 ASN HB2 . 27146 1 709 . 1 1 66 66 ASN HB3 H 1 1.882 0.008 . 2 . . . . . 66 ASN HB3 . 27146 1 710 . 1 1 66 66 ASN ND2 N 15 112.505 0.161 . 1 . . . . . 66 ASN ND2 . 27146 1 711 . 1 1 66 66 ASN HD21 H 1 7.300 0.009 . 1 . . . . . 66 ASN HD21 . 27146 1 712 . 1 1 66 66 ASN HD22 H 1 6.609 0.001 . 1 . . . . . 66 ASN HD22 . 27146 1 713 . 1 1 66 66 ASN C C 13 173.001 0.001 . 1 . . . . . 66 ASN C . 27146 1 714 . 1 1 67 67 TYR N N 15 116.626 0.071 . 1 . . . . . 67 TYR N . 27146 1 715 . 1 1 67 67 TYR H H 1 8.936 0.008 . 1 . . . . . 67 TYR HN . 27146 1 716 . 1 1 67 67 TYR CA C 13 56.970 0.082 . 1 . . . . . 67 TYR CA . 27146 1 717 . 1 1 67 67 TYR HA H 1 5.276 0.010 . 1 . . . . . 67 TYR HA . 27146 1 718 . 1 1 67 67 TYR CB C 13 44.160 0.107 . 1 . . . . . 67 TYR CB . 27146 1 719 . 1 1 67 67 TYR HB2 H 1 2.876 0.007 . 2 . . . . . 67 TYR HB2 . 27146 1 720 . 1 1 67 67 TYR HB3 H 1 2.190 0.016 . 2 . . . . . 67 TYR HB3 . 27146 1 721 . 1 1 67 67 TYR HD1 H 1 7.245 0.008 . 3 . . . . . 67 TYR HD1 . 27146 1 722 . 1 1 67 67 TYR HD2 H 1 7.245 0.008 . 3 . . . . . 67 TYR HD2 . 27146 1 723 . 1 1 67 67 TYR HE1 H 1 6.701 0.002 . 3 . . . . . 67 TYR HE1 . 27146 1 724 . 1 1 67 67 TYR HE2 H 1 6.701 0.002 . 3 . . . . . 67 TYR HE2 . 27146 1 725 . 1 1 67 67 TYR C C 13 173.594 0.001 . 1 . . . . . 67 TYR C . 27146 1 726 . 1 1 68 68 LYS N N 15 114.538 0.041 . 1 . . . . . 68 LYS N . 27146 1 727 . 1 1 68 68 LYS H H 1 8.114 0.008 . 1 . . . . . 68 LYS HN . 27146 1 728 . 1 1 68 68 LYS CA C 13 53.300 0.101 . 1 . . . . . 68 LYS CA . 27146 1 729 . 1 1 68 68 LYS HA H 1 5.193 0.011 . 1 . . . . . 68 LYS HA . 27146 1 730 . 1 1 68 68 LYS CB C 13 36.183 0.116 . 1 . . . . . 68 LYS CB . 27146 1 731 . 1 1 68 68 LYS HB2 H 1 0.918 0.013 . 2 . . . . . 68 LYS HB2 . 27146 1 732 . 1 1 68 68 LYS HB3 H 1 0.918 0.013 . 2 . . . . . 68 LYS HB3 . 27146 1 733 . 1 1 68 68 LYS CG C 13 24.794 0.057 . 1 . . . . . 68 LYS CG . 27146 1 734 . 1 1 68 68 LYS HG2 H 1 0.362 0.011 . 2 . . . . . 68 LYS HG2 . 27146 1 735 . 1 1 68 68 LYS CD C 13 27.046 0.001 . 1 . . . . . 68 LYS CD . 27146 1 736 . 1 1 68 68 LYS HD2 H 1 0.537 0.009 . 2 . . . . . 68 LYS HD2 . 27146 1 737 . 1 1 68 68 LYS CE C 13 40.972 0.078 . 1 . . . . . 68 LYS CE . 27146 1 738 . 1 1 68 68 LYS HE2 H 1 2.158 0.012 . 2 . . . . . 68 LYS HE2 . 27146 1 739 . 1 1 68 68 LYS HE3 H 1 1.351 0.006 . 2 . . . . . 68 LYS HE3 . 27146 1 740 . 1 1 68 68 LYS C C 13 174.804 0.088 . 1 . . . . . 68 LYS C . 27146 1 741 . 1 1 69 69 ILE N N 15 119.311 0.038 . 1 . . . . . 69 ILE N . 27146 1 742 . 1 1 69 69 ILE H H 1 9.243 0.010 . 1 . . . . . 69 ILE HN . 27146 1 743 . 1 1 69 69 ILE CA C 13 59.606 0.140 . 1 . . . . . 69 ILE CA . 27146 1 744 . 1 1 69 69 ILE HA H 1 4.289 0.019 . 1 . . . . . 69 ILE HA . 27146 1 745 . 1 1 69 69 ILE CB C 13 43.884 0.098 . 1 . . . . . 69 ILE CB . 27146 1 746 . 1 1 69 69 ILE HB H 1 1.273 0.010 . 1 . . . . . 69 ILE HB . 27146 1 747 . 1 1 69 69 ILE CG1 C 13 29.148 0.119 . 1 . . . . . 69 ILE CG1 . 27146 1 748 . 1 1 69 69 ILE HG12 H 1 1.577 0.013 . 2 . . . . . 69 ILE HG12 . 27146 1 749 . 1 1 69 69 ILE HG13 H 1 1.553 0.018 . 2 . . . . . 69 ILE HG13 . 27146 1 750 . 1 1 69 69 ILE CG2 C 13 16.303 0.060 . 1 . . . . . 69 ILE CG2 . 27146 1 751 . 1 1 69 69 ILE HG21 H 1 0.665 0.011 . 1 . . . . . 69 ILE HG21 . 27146 1 752 . 1 1 69 69 ILE HG22 H 1 0.665 0.011 . 1 . . . . . 69 ILE HG22 . 27146 1 753 . 1 1 69 69 ILE HG23 H 1 0.665 0.011 . 1 . . . . . 69 ILE HG23 . 27146 1 754 . 1 1 69 69 ILE CD1 C 13 16.384 0.107 . 1 . . . . . 69 ILE CD1 . 27146 1 755 . 1 1 69 69 ILE HD11 H 1 0.446 0.011 . 1 . . . . . 69 ILE HD11 . 27146 1 756 . 1 1 69 69 ILE HD12 H 1 0.446 0.011 . 1 . . . . . 69 ILE HD12 . 27146 1 757 . 1 1 69 69 ILE HD13 H 1 0.446 0.011 . 1 . . . . . 69 ILE HD13 . 27146 1 758 . 1 1 69 69 ILE C C 13 171.556 0.001 . 1 . . . . . 69 ILE C . 27146 1 759 . 1 1 70 70 LEU N N 15 124.194 0.130 . 1 . . . . . 70 LEU N . 27146 1 760 . 1 1 70 70 LEU H H 1 7.305 0.013 . 1 . . . . . 70 LEU HN . 27146 1 761 . 1 1 70 70 LEU CA C 13 54.133 0.143 . 1 . . . . . 70 LEU CA . 27146 1 762 . 1 1 70 70 LEU HA H 1 4.919 0.012 . 1 . . . . . 70 LEU HA . 27146 1 763 . 1 1 70 70 LEU CB C 13 41.752 0.234 . 1 . . . . . 70 LEU CB . 27146 1 764 . 1 1 70 70 LEU HB2 H 1 1.012 0.015 . 2 . . . . . 70 LEU HB2 . 27146 1 765 . 1 1 70 70 LEU HB3 H 1 1.629 0.010 . 2 . . . . . 70 LEU HB3 . 27146 1 766 . 1 1 70 70 LEU CG C 13 26.791 0.084 . 1 . . . . . 70 LEU CG . 27146 1 767 . 1 1 70 70 LEU HG H 1 1.719 0.016 . 1 . . . . . 70 LEU HG . 27146 1 768 . 1 1 70 70 LEU CD1 C 13 20.450 0.048 . 2 . . . . . 70 LEU CD1 . 27146 1 769 . 1 1 70 70 LEU HD11 H 1 0.398 0.007 . 2 . . . . . 70 LEU HD11 . 27146 1 770 . 1 1 70 70 LEU HD12 H 1 0.398 0.007 . 2 . . . . . 70 LEU HD12 . 27146 1 771 . 1 1 70 70 LEU HD13 H 1 0.398 0.007 . 2 . . . . . 70 LEU HD13 . 27146 1 772 . 1 1 70 70 LEU CD2 C 13 24.637 0.066 . 2 . . . . . 70 LEU CD2 . 27146 1 773 . 1 1 70 70 LEU HD21 H 1 0.090 0.011 . 2 . . . . . 70 LEU HD21 . 27146 1 774 . 1 1 70 70 LEU HD22 H 1 0.090 0.011 . 2 . . . . . 70 LEU HD22 . 27146 1 775 . 1 1 70 70 LEU HD23 H 1 0.090 0.011 . 2 . . . . . 70 LEU HD23 . 27146 1 776 . 1 1 70 70 LEU C C 13 175.714 0.001 . 1 . . . . . 70 LEU C . 27146 1 777 . 1 1 71 71 ALA N N 15 120.643 0.072 . 1 . . . . . 71 ALA N . 27146 1 778 . 1 1 71 71 ALA H H 1 8.749 0.005 . 1 . . . . . 71 ALA HN . 27146 1 779 . 1 1 71 71 ALA CA C 13 50.742 0.102 . 1 . . . . . 71 ALA CA . 27146 1 780 . 1 1 71 71 ALA HA H 1 5.327 0.016 . 1 . . . . . 71 ALA HA . 27146 1 781 . 1 1 71 71 ALA CB C 13 25.710 0.103 . 1 . . . . . 71 ALA CB . 27146 1 782 . 1 1 71 71 ALA HB1 H 1 1.199 0.007 . 1 . . . . . 71 ALA HB1 . 27146 1 783 . 1 1 71 71 ALA HB2 H 1 1.199 0.007 . 1 . . . . . 71 ALA HB2 . 27146 1 784 . 1 1 71 71 ALA HB3 H 1 1.199 0.007 . 1 . . . . . 71 ALA HB3 . 27146 1 785 . 1 1 71 71 ALA C C 13 175.726 0.063 . 1 . . . . . 71 ALA C . 27146 1 786 . 1 1 72 72 PHE N N 15 111.916 0.063 . 1 . . . . . 72 PHE N . 27146 1 787 . 1 1 72 72 PHE H H 1 8.845 0.011 . 1 . . . . . 72 PHE HN . 27146 1 788 . 1 1 72 72 PHE CA C 13 56.850 0.071 . 1 . . . . . 72 PHE CA . 27146 1 789 . 1 1 72 72 PHE HA H 1 5.516 0.020 . 1 . . . . . 72 PHE HA . 27146 1 790 . 1 1 72 72 PHE CB C 13 41.811 0.123 . 1 . . . . . 72 PHE CB . 27146 1 791 . 1 1 72 72 PHE HB2 H 1 3.187 0.013 . 2 . . . . . 72 PHE HB2 . 27146 1 792 . 1 1 72 72 PHE HB3 H 1 2.521 0.007 . 2 . . . . . 72 PHE HB3 . 27146 1 793 . 1 1 72 72 PHE HD1 H 1 6.684 0.002 . 3 . . . . . 72 PHE HD1 . 27146 1 794 . 1 1 72 72 PHE HD2 H 1 6.684 0.002 . 3 . . . . . 72 PHE HD2 . 27146 1 795 . 1 1 72 72 PHE HE1 H 1 7.013 0.002 . 3 . . . . . 72 PHE HE1 . 27146 1 796 . 1 1 72 72 PHE HE2 H 1 7.013 0.002 . 3 . . . . . 72 PHE HE2 . 27146 1 797 . 1 1 72 72 PHE HZ H 1 7.115 0.001 . 1 . . . . . 72 PHE HZ . 27146 1 798 . 1 1 72 72 PHE C C 13 172.550 0.063 . 1 . . . . . 72 PHE C . 27146 1 799 . 1 1 73 73 ALA N N 15 123.133 0.074 . 1 . . . . . 73 ALA N . 27146 1 800 . 1 1 73 73 ALA H H 1 8.614 0.004 . 1 . . . . . 73 ALA HN . 27146 1 801 . 1 1 73 73 ALA CA C 13 49.878 0.093 . 1 . . . . . 73 ALA CA . 27146 1 802 . 1 1 73 73 ALA HA H 1 4.989 0.011 . 1 . . . . . 73 ALA HA . 27146 1 803 . 1 1 73 73 ALA CB C 13 19.941 0.151 . 1 . . . . . 73 ALA CB . 27146 1 804 . 1 1 73 73 ALA HB1 H 1 1.096 0.012 . 1 . . . . . 73 ALA HB1 . 27146 1 805 . 1 1 73 73 ALA HB2 H 1 1.096 0.012 . 1 . . . . . 73 ALA HB2 . 27146 1 806 . 1 1 73 73 ALA HB3 H 1 1.096 0.012 . 1 . . . . . 73 ALA HB3 . 27146 1 807 . 1 1 73 73 ALA C C 13 176.729 0.001 . 1 . . . . . 73 ALA C . 27146 1 808 . 1 1 74 74 ASN N N 15 118.928 0.108 . 1 . . . . . 74 ASN N . 27146 1 809 . 1 1 74 74 ASN H H 1 7.288 0.006 . 1 . . . . . 74 ASN HN . 27146 1 810 . 1 1 74 74 ASN CA C 13 52.307 0.313 . 1 . . . . . 74 ASN CA . 27146 1 811 . 1 1 74 74 ASN HA H 1 5.208 0.010 . 1 . . . . . 74 ASN HA . 27146 1 812 . 1 1 74 74 ASN CB C 13 38.814 0.044 . 1 . . . . . 74 ASN CB . 27146 1 813 . 1 1 74 74 ASN HB2 H 1 3.520 0.011 . 2 . . . . . 74 ASN HB2 . 27146 1 814 . 1 1 74 74 ASN HB3 H 1 3.081 0.008 . 2 . . . . . 74 ASN HB3 . 27146 1 815 . 1 1 74 74 ASN C C 13 174.770 0.063 . 1 . . . . . 74 ASN C . 27146 1 816 . 1 1 75 75 TYR N N 15 118.896 0.097 . 1 . . . . . 75 TYR N . 27146 1 817 . 1 1 75 75 TYR H H 1 9.161 0.007 . 1 . . . . . 75 TYR HN . 27146 1 818 . 1 1 75 75 TYR CA C 13 62.557 0.036 . 1 . . . . . 75 TYR CA . 27146 1 819 . 1 1 75 75 TYR HA H 1 4.164 0.011 . 1 . . . . . 75 TYR HA . 27146 1 820 . 1 1 75 75 TYR CB C 13 38.082 0.064 . 1 . . . . . 75 TYR CB . 27146 1 821 . 1 1 75 75 TYR HB2 H 1 3.183 0.009 . 2 . . . . . 75 TYR HB2 . 27146 1 822 . 1 1 75 75 TYR HB3 H 1 2.914 0.008 . 2 . . . . . 75 TYR HB3 . 27146 1 823 . 1 1 75 75 TYR HD1 H 1 7.065 0.010 . 3 . . . . . 75 TYR HD1 . 27146 1 824 . 1 1 75 75 TYR HD2 H 1 7.065 0.010 . 3 . . . . . 75 TYR HD2 . 27146 1 825 . 1 1 75 75 TYR HE1 H 1 6.905 0.010 . 3 . . . . . 75 TYR HE1 . 27146 1 826 . 1 1 75 75 TYR HE2 H 1 6.905 0.010 . 3 . . . . . 75 TYR HE2 . 27146 1 827 . 1 1 75 75 TYR C C 13 176.806 0.088 . 1 . . . . . 75 TYR C . 27146 1 828 . 1 1 76 76 LYS N N 15 119.877 0.065 . 1 . . . . . 76 LYS N . 27146 1 829 . 1 1 76 76 LYS H H 1 8.239 0.004 . 1 . . . . . 76 LYS HN . 27146 1 830 . 1 1 76 76 LYS CA C 13 60.145 0.094 . 1 . . . . . 76 LYS CA . 27146 1 831 . 1 1 76 76 LYS HA H 1 3.864 0.009 . 1 . . . . . 76 LYS HA . 27146 1 832 . 1 1 76 76 LYS CB C 13 32.088 0.122 . 1 . . . . . 76 LYS CB . 27146 1 833 . 1 1 76 76 LYS HB2 H 1 1.875 0.009 . 2 . . . . . 76 LYS HB2 . 27146 1 834 . 1 1 76 76 LYS HB3 H 1 1.875 0.009 . 2 . . . . . 76 LYS HB3 . 27146 1 835 . 1 1 76 76 LYS CG C 13 25.829 0.130 . 1 . . . . . 76 LYS CG . 27146 1 836 . 1 1 76 76 LYS HG2 H 1 1.502 0.035 . 2 . . . . . 76 LYS HG2 . 27146 1 837 . 1 1 76 76 LYS HG3 H 1 1.443 0.023 . 2 . . . . . 76 LYS HG3 . 27146 1 838 . 1 1 76 76 LYS CD C 13 29.543 0.019 . 1 . . . . . 76 LYS CD . 27146 1 839 . 1 1 76 76 LYS HD2 H 1 1.725 0.016 . 2 . . . . . 76 LYS HD2 . 27146 1 840 . 1 1 76 76 LYS HD3 H 1 1.725 0.016 . 2 . . . . . 76 LYS HD3 . 27146 1 841 . 1 1 76 76 LYS CE C 13 42.039 0.046 . 1 . . . . . 76 LYS CE . 27146 1 842 . 1 1 76 76 LYS HE2 H 1 3.023 0.009 . 2 . . . . . 76 LYS HE2 . 27146 1 843 . 1 1 76 76 LYS HE3 H 1 3.023 0.009 . 2 . . . . . 76 LYS HE3 . 27146 1 844 . 1 1 76 76 LYS C C 13 179.553 0.001 . 1 . . . . . 76 LYS C . 27146 1 845 . 1 1 77 77 ALA N N 15 122.787 0.088 . 1 . . . . . 77 ALA N . 27146 1 846 . 1 1 77 77 ALA H H 1 8.372 0.007 . 1 . . . . . 77 ALA HN . 27146 1 847 . 1 1 77 77 ALA CA C 13 54.729 0.049 . 1 . . . . . 77 ALA CA . 27146 1 848 . 1 1 77 77 ALA HA H 1 4.318 0.005 . 1 . . . . . 77 ALA HA . 27146 1 849 . 1 1 77 77 ALA CB C 13 19.061 0.086 . 1 . . . . . 77 ALA CB . 27146 1 850 . 1 1 77 77 ALA HB1 H 1 1.661 0.012 . 1 . . . . . 77 ALA HB1 . 27146 1 851 . 1 1 77 77 ALA HB2 H 1 1.661 0.012 . 1 . . . . . 77 ALA HB2 . 27146 1 852 . 1 1 77 77 ALA HB3 H 1 1.661 0.012 . 1 . . . . . 77 ALA HB3 . 27146 1 853 . 1 1 77 77 ALA C C 13 181.500 0.063 . 1 . . . . . 77 ALA C . 27146 1 854 . 1 1 78 78 ILE N N 15 120.732 0.109 . 1 . . . . . 78 ILE N . 27146 1 855 . 1 1 78 78 ILE H H 1 8.526 0.007 . 1 . . . . . 78 ILE HN . 27146 1 856 . 1 1 78 78 ILE CA C 13 66.452 0.081 . 1 . . . . . 78 ILE CA . 27146 1 857 . 1 1 78 78 ILE HA H 1 3.499 0.011 . 1 . . . . . 78 ILE HA . 27146 1 858 . 1 1 78 78 ILE CB C 13 38.636 0.119 . 1 . . . . . 78 ILE CB . 27146 1 859 . 1 1 78 78 ILE HB H 1 1.987 0.018 . 1 . . . . . 78 ILE HB . 27146 1 860 . 1 1 78 78 ILE CG1 C 13 29.665 0.020 . 1 . . . . . 78 ILE CG1 . 27146 1 861 . 1 1 78 78 ILE HG12 H 1 0.823 0.010 . 2 . . . . . 78 ILE HG12 . 27146 1 862 . 1 1 78 78 ILE CG2 C 13 17.415 0.055 . 1 . . . . . 78 ILE CG2 . 27146 1 863 . 1 1 78 78 ILE HG21 H 1 0.970 0.012 . 1 . . . . . 78 ILE HG21 . 27146 1 864 . 1 1 78 78 ILE HG22 H 1 0.970 0.012 . 1 . . . . . 78 ILE HG22 . 27146 1 865 . 1 1 78 78 ILE HG23 H 1 0.970 0.012 . 1 . . . . . 78 ILE HG23 . 27146 1 866 . 1 1 78 78 ILE CD1 C 13 15.678 0.059 . 1 . . . . . 78 ILE CD1 . 27146 1 867 . 1 1 78 78 ILE HD11 H 1 1.061 0.015 . 1 . . . . . 78 ILE HD11 . 27146 1 868 . 1 1 78 78 ILE HD12 H 1 1.061 0.015 . 1 . . . . . 78 ILE HD12 . 27146 1 869 . 1 1 78 78 ILE HD13 H 1 1.061 0.015 . 1 . . . . . 78 ILE HD13 . 27146 1 870 . 1 1 78 78 ILE C C 13 176.967 0.063 . 1 . . . . . 78 ILE C . 27146 1 871 . 1 1 79 79 ALA N N 15 122.239 0.081 . 1 . . . . . 79 ALA N . 27146 1 872 . 1 1 79 79 ALA H H 1 8.701 0.008 . 1 . . . . . 79 ALA HN . 27146 1 873 . 1 1 79 79 ALA CA C 13 55.130 0.052 . 1 . . . . . 79 ALA CA . 27146 1 874 . 1 1 79 79 ALA HA H 1 4.072 0.011 . 1 . . . . . 79 ALA HA . 27146 1 875 . 1 1 79 79 ALA CB C 13 17.458 0.060 . 1 . . . . . 79 ALA CB . 27146 1 876 . 1 1 79 79 ALA HB1 H 1 1.244 0.008 . 1 . . . . . 79 ALA HB1 . 27146 1 877 . 1 1 79 79 ALA HB2 H 1 1.244 0.008 . 1 . . . . . 79 ALA HB2 . 27146 1 878 . 1 1 79 79 ALA HB3 H 1 1.244 0.008 . 1 . . . . . 79 ALA HB3 . 27146 1 879 . 1 1 79 79 ALA C C 13 181.202 0.063 . 1 . . . . . 79 ALA C . 27146 1 880 . 1 1 80 80 ALA N N 15 119.839 0.039 . 1 . . . . . 80 ALA N . 27146 1 881 . 1 1 80 80 ALA H H 1 7.720 0.006 . 1 . . . . . 80 ALA HN . 27146 1 882 . 1 1 80 80 ALA CA C 13 55.212 0.131 . 1 . . . . . 80 ALA CA . 27146 1 883 . 1 1 80 80 ALA HA H 1 4.125 0.019 . 1 . . . . . 80 ALA HA . 27146 1 884 . 1 1 80 80 ALA CB C 13 18.565 0.080 . 1 . . . . . 80 ALA CB . 27146 1 885 . 1 1 80 80 ALA HB1 H 1 1.606 0.005 . 1 . . . . . 80 ALA HB1 . 27146 1 886 . 1 1 80 80 ALA HB2 H 1 1.606 0.005 . 1 . . . . . 80 ALA HB2 . 27146 1 887 . 1 1 80 80 ALA HB3 H 1 1.606 0.005 . 1 . . . . . 80 ALA HB3 . 27146 1 888 . 1 1 80 80 ALA C C 13 179.845 0.001 . 1 . . . . . 80 ALA C . 27146 1 889 . 1 1 81 81 PHE N N 15 121.522 0.151 . 1 . . . . . 81 PHE N . 27146 1 890 . 1 1 81 81 PHE H H 1 8.173 0.006 . 1 . . . . . 81 PHE HN . 27146 1 891 . 1 1 81 81 PHE CA C 13 61.558 0.092 . 1 . . . . . 81 PHE CA . 27146 1 892 . 1 1 81 81 PHE HA H 1 4.076 0.007 . 1 . . . . . 81 PHE HA . 27146 1 893 . 1 1 81 81 PHE CB C 13 39.387 0.151 . 1 . . . . . 81 PHE CB . 27146 1 894 . 1 1 81 81 PHE HB2 H 1 3.216 0.001 . 2 . . . . . 81 PHE HB2 . 27146 1 895 . 1 1 81 81 PHE HB3 H 1 2.454 0.010 . 2 . . . . . 81 PHE HB3 . 27146 1 896 . 1 1 81 81 PHE HD1 H 1 6.483 0.015 . 3 . . . . . 81 PHE HD1 . 27146 1 897 . 1 1 81 81 PHE HD2 H 1 6.483 0.015 . 3 . . . . . 81 PHE HD2 . 27146 1 898 . 1 1 81 81 PHE C C 13 177.376 0.088 . 1 . . . . . 81 PHE C . 27146 1 899 . 1 1 82 82 GLU N N 15 118.578 0.083 . 1 . . . . . 82 GLU N . 27146 1 900 . 1 1 82 82 GLU H H 1 9.199 0.004 . 1 . . . . . 82 GLU HN . 27146 1 901 . 1 1 82 82 GLU CA C 13 59.947 0.080 . 1 . . . . . 82 GLU CA . 27146 1 902 . 1 1 82 82 GLU HA H 1 4.194 0.017 . 1 . . . . . 82 GLU HA . 27146 1 903 . 1 1 82 82 GLU CB C 13 29.526 0.001 . 1 . . . . . 82 GLU CB . 27146 1 904 . 1 1 82 82 GLU C C 13 180.679 0.063 . 1 . . . . . 82 GLU C . 27146 1 905 . 1 1 83 83 ARG N N 15 118.962 0.072 . 1 . . . . . 83 ARG N . 27146 1 906 . 1 1 83 83 ARG H H 1 7.741 0.006 . 1 . . . . . 83 ARG HN . 27146 1 907 . 1 1 83 83 ARG CA C 13 59.034 0.130 . 1 . . . . . 83 ARG CA . 27146 1 908 . 1 1 83 83 ARG HA H 1 4.075 0.008 . 1 . . . . . 83 ARG HA . 27146 1 909 . 1 1 83 83 ARG CB C 13 30.381 0.155 . 1 . . . . . 83 ARG CB . 27146 1 910 . 1 1 83 83 ARG HB2 H 1 1.914 0.013 . 2 . . . . . 83 ARG HB2 . 27146 1 911 . 1 1 83 83 ARG HB3 H 1 1.914 0.013 . 2 . . . . . 83 ARG HB3 . 27146 1 912 . 1 1 83 83 ARG CG C 13 27.590 0.105 . 1 . . . . . 83 ARG CG . 27146 1 913 . 1 1 83 83 ARG HG2 H 1 1.747 0.008 . 2 . . . . . 83 ARG HG2 . 27146 1 914 . 1 1 83 83 ARG HG3 H 1 1.747 0.008 . 2 . . . . . 83 ARG HG3 . 27146 1 915 . 1 1 83 83 ARG CD C 13 43.406 0.051 . 1 . . . . . 83 ARG CD . 27146 1 916 . 1 1 83 83 ARG HD2 H 1 3.213 0.015 . 2 . . . . . 83 ARG HD2 . 27146 1 917 . 1 1 83 83 ARG HD3 H 1 3.213 0.015 . 2 . . . . . 83 ARG HD3 . 27146 1 918 . 1 1 83 83 ARG C C 13 177.957 0.001 . 1 . . . . . 83 ARG C . 27146 1 919 . 1 1 84 84 LYS N N 15 118.837 0.040 . 1 . . . . . 84 LYS N . 27146 1 920 . 1 1 84 84 LYS H H 1 7.695 0.005 . 1 . . . . . 84 LYS HN . 27146 1 921 . 1 1 84 84 LYS CA C 13 59.022 0.038 . 1 . . . . . 84 LYS CA . 27146 1 922 . 1 1 84 84 LYS HA H 1 4.032 0.012 . 1 . . . . . 84 LYS HA . 27146 1 923 . 1 1 84 84 LYS CB C 13 33.083 0.033 . 1 . . . . . 84 LYS CB . 27146 1 924 . 1 1 84 84 LYS HB2 H 1 1.792 0.019 . 2 . . . . . 84 LYS HB2 . 27146 1 925 . 1 1 84 84 LYS HB3 H 1 1.792 0.019 . 2 . . . . . 84 LYS HB3 . 27146 1 926 . 1 1 84 84 LYS CG C 13 25.234 0.001 . 1 . . . . . 84 LYS CG . 27146 1 927 . 1 1 84 84 LYS HG2 H 1 1.391 0.001 . 2 . . . . . 84 LYS HG2 . 27146 1 928 . 1 1 84 84 LYS HG3 H 1 1.478 0.001 . 2 . . . . . 84 LYS HG3 . 27146 1 929 . 1 1 84 84 LYS CD C 13 29.290 0.131 . 1 . . . . . 84 LYS CD . 27146 1 930 . 1 1 84 84 LYS HD2 H 1 1.032 0.016 . 2 . . . . . 84 LYS HD2 . 27146 1 931 . 1 1 84 84 LYS HD3 H 1 1.032 0.016 . 2 . . . . . 84 LYS HD3 . 27146 1 932 . 1 1 84 84 LYS CE C 13 41.961 0.016 . 1 . . . . . 84 LYS CE . 27146 1 933 . 1 1 84 84 LYS HE2 H 1 2.920 0.011 . 2 . . . . . 84 LYS HE2 . 27146 1 934 . 1 1 84 84 LYS C C 13 178.496 0.001 . 1 . . . . . 84 LYS C . 27146 1 935 . 1 1 85 85 GLU N N 15 115.621 0.064 . 1 . . . . . 85 GLU N . 27146 1 936 . 1 1 85 85 GLU H H 1 8.657 0.005 . 1 . . . . . 85 GLU HN . 27146 1 937 . 1 1 85 85 GLU CA C 13 55.858 0.077 . 1 . . . . . 85 GLU CA . 27146 1 938 . 1 1 85 85 GLU HA H 1 4.021 0.011 . 1 . . . . . 85 GLU HA . 27146 1 939 . 1 1 85 85 GLU CB C 13 29.241 0.079 . 1 . . . . . 85 GLU CB . 27146 1 940 . 1 1 85 85 GLU C C 13 176.367 0.063 . 1 . . . . . 85 GLU C . 27146 1 941 . 1 1 86 86 ARG N N 15 114.209 0.066 . 1 . . . . . 86 ARG N . 27146 1 942 . 1 1 86 86 ARG H H 1 7.634 0.011 . 1 . . . . . 86 ARG HN . 27146 1 943 . 1 1 86 86 ARG CA C 13 56.535 0.041 . 1 . . . . . 86 ARG CA . 27146 1 944 . 1 1 86 86 ARG HA H 1 3.822 0.010 . 1 . . . . . 86 ARG HA . 27146 1 945 . 1 1 86 86 ARG CB C 13 26.457 0.100 . 1 . . . . . 86 ARG CB . 27146 1 946 . 1 1 86 86 ARG HB2 H 1 1.908 0.013 . 2 . . . . . 86 ARG HB2 . 27146 1 947 . 1 1 86 86 ARG HB3 H 1 1.908 0.013 . 2 . . . . . 86 ARG HB3 . 27146 1 948 . 1 1 86 86 ARG CG C 13 27.427 0.117 . 1 . . . . . 86 ARG CG . 27146 1 949 . 1 1 86 86 ARG HG2 H 1 1.480 0.017 . 2 . . . . . 86 ARG HG2 . 27146 1 950 . 1 1 86 86 ARG HG3 H 1 1.480 0.017 . 2 . . . . . 86 ARG HG3 . 27146 1 951 . 1 1 86 86 ARG CD C 13 43.466 0.022 . 1 . . . . . 86 ARG CD . 27146 1 952 . 1 1 86 86 ARG HD2 H 1 3.171 0.033 . 2 . . . . . 86 ARG HD2 . 27146 1 953 . 1 1 86 86 ARG HD3 H 1 3.136 0.052 . 2 . . . . . 86 ARG HD3 . 27146 1 954 . 1 1 86 86 ARG NE N 15 85.083 0.001 . 1 . . . . . 86 ARG NE . 27146 1 955 . 1 1 86 86 ARG HE H 1 7.082 0.006 . 1 . . . . . 86 ARG HE . 27146 1 956 . 1 1 86 86 ARG CZ C 13 159.545 0.001 . 1 . . . . . 86 ARG CZ . 27146 1 957 . 1 1 86 86 ARG C C 13 174.640 0.063 . 1 . . . . . 86 ARG C . 27146 1 958 . 1 1 87 87 ARG N N 15 112.878 0.061 . 1 . . . . . 87 ARG N . 27146 1 959 . 1 1 87 87 ARG H H 1 7.345 0.007 . 1 . . . . . 87 ARG HN . 27146 1 960 . 1 1 87 87 ARG CA C 13 54.008 0.041 . 1 . . . . . 87 ARG CA . 27146 1 961 . 1 1 87 87 ARG HA H 1 4.540 0.018 . 1 . . . . . 87 ARG HA . 27146 1 962 . 1 1 87 87 ARG CB C 13 32.918 0.001 . 1 . . . . . 87 ARG CB . 27146 1 963 . 1 1 87 87 ARG C C 13 173.436 0.063 . 1 . . . . . 87 ARG C . 27146 1 964 . 1 1 88 88 ARG N N 15 118.060 0.040 . 1 . . . . . 88 ARG N . 27146 1 965 . 1 1 88 88 ARG H H 1 8.142 0.006 . 1 . . . . . 88 ARG HN . 27146 1 966 . 1 1 88 88 ARG CA C 13 55.722 0.052 . 1 . . . . . 88 ARG CA . 27146 1 967 . 1 1 88 88 ARG HA H 1 4.267 0.012 . 1 . . . . . 88 ARG HA . 27146 1 968 . 1 1 88 88 ARG CB C 13 30.573 0.250 . 1 . . . . . 88 ARG CB . 27146 1 969 . 1 1 88 88 ARG HB2 H 1 1.821 0.001 . 2 . . . . . 88 ARG HB2 . 27146 1 970 . 1 1 88 88 ARG HB3 H 1 1.821 0.001 . 2 . . . . . 88 ARG HB3 . 27146 1 971 . 1 1 88 88 ARG HD2 H 1 3.299 0.001 . 2 . . . . . 88 ARG HD2 . 27146 1 972 . 1 1 88 88 ARG HD3 H 1 3.299 0.001 . 2 . . . . . 88 ARG HD3 . 27146 1 973 . 1 1 88 88 ARG C C 13 179.827 0.001 . 1 . . . . . 88 ARG C . 27146 1 974 . 1 1 89 89 VAL N N 15 123.551 0.173 . 1 . . . . . 89 VAL N . 27146 1 975 . 1 1 89 89 VAL H H 1 10.419 0.010 . 1 . . . . . 89 VAL HN . 27146 1 976 . 1 1 89 89 VAL CA C 13 64.497 0.079 . 1 . . . . . 89 VAL CA . 27146 1 977 . 1 1 89 89 VAL HA H 1 4.135 0.008 . 1 . . . . . 89 VAL HA . 27146 1 978 . 1 1 89 89 VAL CB C 13 31.538 0.011 . 1 . . . . . 89 VAL CB . 27146 1 979 . 1 1 89 89 VAL HB H 1 2.392 0.015 . 1 . . . . . 89 VAL HB . 27146 1 980 . 1 1 89 89 VAL CG1 C 13 20.760 0.014 . 2 . . . . . 89 VAL CG1 . 27146 1 981 . 1 1 89 89 VAL HG11 H 1 1.088 0.009 . 2 . . . . . 89 VAL HG11 . 27146 1 982 . 1 1 89 89 VAL HG12 H 1 1.088 0.009 . 2 . . . . . 89 VAL HG12 . 27146 1 983 . 1 1 89 89 VAL HG13 H 1 1.088 0.009 . 2 . . . . . 89 VAL HG13 . 27146 1 984 . 1 1 89 89 VAL CG2 C 13 21.618 0.092 . 2 . . . . . 89 VAL CG2 . 27146 1 985 . 1 1 89 89 VAL HG21 H 1 0.659 0.009 . 2 . . . . . 89 VAL HG21 . 27146 1 986 . 1 1 89 89 VAL HG22 H 1 0.659 0.009 . 2 . . . . . 89 VAL HG22 . 27146 1 987 . 1 1 89 89 VAL HG23 H 1 0.659 0.009 . 2 . . . . . 89 VAL HG23 . 27146 1 988 . 1 1 89 89 VAL C C 13 174.008 0.001 . 1 . . . . . 89 VAL C . 27146 1 989 . 1 1 90 90 THR N N 15 104.231 0.121 . 1 . . . . . 90 THR N . 27146 1 990 . 1 1 90 90 THR H H 1 6.863 0.009 . 1 . . . . . 90 THR HN . 27146 1 991 . 1 1 90 90 THR CA C 13 62.527 0.044 . 1 . . . . . 90 THR CA . 27146 1 992 . 1 1 90 90 THR HA H 1 3.996 0.016 . 1 . . . . . 90 THR HA . 27146 1 993 . 1 1 90 90 THR CB C 13 68.659 0.070 . 1 . . . . . 90 THR CB . 27146 1 994 . 1 1 90 90 THR HB H 1 4.549 0.015 . 1 . . . . . 90 THR HB . 27146 1 995 . 1 1 90 90 THR CG2 C 13 24.050 0.037 . 1 . . . . . 90 THR CG2 . 27146 1 996 . 1 1 90 90 THR C C 13 175.783 0.063 . 1 . . . . . 90 THR C . 27146 1 997 . 1 1 91 91 GLN N N 15 124.793 0.074 . 1 . . . . . 91 GLN N . 27146 1 998 . 1 1 91 91 GLN H H 1 8.069 0.008 . 1 . . . . . 91 GLN HN . 27146 1 999 . 1 1 91 91 GLN CA C 13 57.586 0.073 . 1 . . . . . 91 GLN CA . 27146 1 1000 . 1 1 91 91 GLN HA H 1 4.046 0.013 . 1 . . . . . 91 GLN HA . 27146 1 1001 . 1 1 91 91 GLN CB C 13 28.764 0.074 . 1 . . . . . 91 GLN CB . 27146 1 1002 . 1 1 91 91 GLN HB2 H 1 2.096 0.019 . 2 . . . . . 91 GLN HB2 . 27146 1 1003 . 1 1 91 91 GLN HB3 H 1 2.096 0.019 . 2 . . . . . 91 GLN HB3 . 27146 1 1004 . 1 1 91 91 GLN CG C 13 33.780 0.001 . 1 . . . . . 91 GLN CG . 27146 1 1005 . 1 1 91 91 GLN HG2 H 1 2.323 0.004 . 2 . . . . . 91 GLN HG2 . 27146 1 1006 . 1 1 91 91 GLN HG3 H 1 2.323 0.004 . 2 . . . . . 91 GLN HG3 . 27146 1 1007 . 1 1 91 91 GLN NE2 N 15 113.137 0.130 . 1 . . . . . 91 GLN NE2 . 27146 1 1008 . 1 1 91 91 GLN HE21 H 1 7.556 0.006 . 1 . . . . . 91 GLN HE21 . 27146 1 1009 . 1 1 91 91 GLN HE22 H 1 6.984 0.003 . 1 . . . . . 91 GLN HE22 . 27146 1 1010 . 1 1 91 91 GLN C C 13 175.916 0.001 . 1 . . . . . 91 GLN C . 27146 1 1011 . 1 1 92 92 ASN N N 15 122.358 0.083 . 1 . . . . . 92 ASN N . 27146 1 1012 . 1 1 92 92 ASN H H 1 9.381 0.007 . 1 . . . . . 92 ASN HN . 27146 1 1013 . 1 1 92 92 ASN CA C 13 55.502 0.063 . 1 . . . . . 92 ASN CA . 27146 1 1014 . 1 1 92 92 ASN HA H 1 4.306 0.007 . 1 . . . . . 92 ASN HA . 27146 1 1015 . 1 1 92 92 ASN CB C 13 37.694 0.060 . 1 . . . . . 92 ASN CB . 27146 1 1016 . 1 1 92 92 ASN HB2 H 1 2.754 0.012 . 2 . . . . . 92 ASN HB2 . 27146 1 1017 . 1 1 92 92 ASN HB3 H 1 3.091 0.023 . 2 . . . . . 92 ASN HB3 . 27146 1 1018 . 1 1 92 92 ASN ND2 N 15 110.681 0.185 . 1 . . . . . 92 ASN ND2 . 27146 1 1019 . 1 1 92 92 ASN HD21 H 1 7.562 0.009 . 1 . . . . . 92 ASN HD21 . 27146 1 1020 . 1 1 92 92 ASN HD22 H 1 6.950 0.005 . 1 . . . . . 92 ASN HD22 . 27146 1 1021 . 1 1 92 92 ASN C C 13 173.218 0.063 . 1 . . . . . 92 ASN C . 27146 1 1022 . 1 1 93 93 LEU N N 15 118.095 0.065 . 1 . . . . . 93 LEU N . 27146 1 1023 . 1 1 93 93 LEU H H 1 7.101 0.009 . 1 . . . . . 93 LEU HN . 27146 1 1024 . 1 1 93 93 LEU CA C 13 55.580 0.075 . 1 . . . . . 93 LEU CA . 27146 1 1025 . 1 1 93 93 LEU HA H 1 4.197 0.013 . 1 . . . . . 93 LEU HA . 27146 1 1026 . 1 1 93 93 LEU CB C 13 43.040 0.105 . 1 . . . . . 93 LEU CB . 27146 1 1027 . 1 1 93 93 LEU HB2 H 1 1.620 0.080 . 2 . . . . . 93 LEU HB2 . 27146 1 1028 . 1 1 93 93 LEU HB3 H 1 1.528 0.001 . 2 . . . . . 93 LEU HB3 . 27146 1 1029 . 1 1 93 93 LEU HD11 H 1 0.864 0.001 . 2 . . . . . 93 LEU HD11 . 27146 1 1030 . 1 1 93 93 LEU HD12 H 1 0.864 0.001 . 2 . . . . . 93 LEU HD12 . 27146 1 1031 . 1 1 93 93 LEU HD13 H 1 0.864 0.001 . 2 . . . . . 93 LEU HD13 . 27146 1 1032 . 1 1 93 93 LEU HD21 H 1 0.706 0.013 . 2 . . . . . 93 LEU HD21 . 27146 1 1033 . 1 1 93 93 LEU HD22 H 1 0.706 0.013 . 2 . . . . . 93 LEU HD22 . 27146 1 1034 . 1 1 93 93 LEU HD23 H 1 0.706 0.013 . 2 . . . . . 93 LEU HD23 . 27146 1 1035 . 1 1 93 93 LEU C C 13 179.298 0.063 . 1 . . . . . 93 LEU C . 27146 1 1036 . 1 1 94 94 LEU N N 15 122.219 0.057 . 1 . . . . . 94 LEU N . 27146 1 1037 . 1 1 94 94 LEU H H 1 8.440 0.007 . 1 . . . . . 94 LEU HN . 27146 1 1038 . 1 1 94 94 LEU CA C 13 57.723 0.078 . 1 . . . . . 94 LEU CA . 27146 1 1039 . 1 1 94 94 LEU HA H 1 3.541 0.010 . 1 . . . . . 94 LEU HA . 27146 1 1040 . 1 1 94 94 LEU CB C 13 41.578 0.066 . 1 . . . . . 94 LEU CB . 27146 1 1041 . 1 1 94 94 LEU HB2 H 1 1.610 0.012 . 2 . . . . . 94 LEU HB2 . 27146 1 1042 . 1 1 94 94 LEU HB3 H 1 1.361 0.011 . 2 . . . . . 94 LEU HB3 . 27146 1 1043 . 1 1 94 94 LEU CG C 13 26.669 0.001 . 1 . . . . . 94 LEU CG . 27146 1 1044 . 1 1 94 94 LEU HG H 1 1.539 0.022 . 1 . . . . . 94 LEU HG . 27146 1 1045 . 1 1 94 94 LEU CD1 C 13 25.497 0.001 . 2 . . . . . 94 LEU CD1 . 27146 1 1046 . 1 1 94 94 LEU HD11 H 1 0.871 0.007 . 2 . . . . . 94 LEU HD11 . 27146 1 1047 . 1 1 94 94 LEU HD12 H 1 0.871 0.007 . 2 . . . . . 94 LEU HD12 . 27146 1 1048 . 1 1 94 94 LEU HD13 H 1 0.871 0.007 . 2 . . . . . 94 LEU HD13 . 27146 1 1049 . 1 1 94 94 LEU CD2 C 13 23.362 0.001 . 2 . . . . . 94 LEU CD2 . 27146 1 1050 . 1 1 94 94 LEU HD21 H 1 0.739 0.015 . 2 . . . . . 94 LEU HD21 . 27146 1 1051 . 1 1 94 94 LEU HD22 H 1 0.739 0.015 . 2 . . . . . 94 LEU HD22 . 27146 1 1052 . 1 1 94 94 LEU HD23 H 1 0.739 0.015 . 2 . . . . . 94 LEU HD23 . 27146 1 1053 . 1 1 94 94 LEU C C 13 176.723 0.001 . 1 . . . . . 94 LEU C . 27146 1 1054 . 1 1 95 95 ASN N N 15 117.092 0.035 . 1 . . . . . 95 ASN N . 27146 1 1055 . 1 1 95 95 ASN H H 1 8.690 0.009 . 1 . . . . . 95 ASN HN . 27146 1 1056 . 1 1 95 95 ASN CA C 13 56.734 0.323 . 1 . . . . . 95 ASN CA . 27146 1 1057 . 1 1 95 95 ASN HA H 1 4.516 0.015 . 1 . . . . . 95 ASN HA . 27146 1 1058 . 1 1 95 95 ASN CB C 13 36.747 0.184 . 1 . . . . . 95 ASN CB . 27146 1 1059 . 1 1 95 95 ASN HB2 H 1 3.073 0.012 . 2 . . . . . 95 ASN HB2 . 27146 1 1060 . 1 1 95 95 ASN HB3 H 1 2.862 0.023 . 2 . . . . . 95 ASN HB3 . 27146 1 1061 . 1 1 95 95 ASN CG C 13 177.805 0.088 . 1 . . . . . 95 ASN CG . 27146 1 1062 . 1 1 95 95 ASN ND2 N 15 115.089 0.177 . 1 . . . . . 95 ASN ND2 . 27146 1 1063 . 1 1 95 95 ASN HD21 H 1 7.712 0.003 . 1 . . . . . 95 ASN HD21 . 27146 1 1064 . 1 1 95 95 ASN HD22 H 1 6.806 0.008 . 1 . . . . . 95 ASN HD22 . 27146 1 1065 . 1 1 95 95 ASN C C 13 174.131 0.001 . 1 . . . . . 95 ASN C . 27146 1 1066 . 1 1 96 96 SER N N 15 117.711 0.079 . 1 . . . . . 96 SER N . 27146 1 1067 . 1 1 96 96 SER H H 1 8.187 0.009 . 1 . . . . . 96 SER HN . 27146 1 1068 . 1 1 96 96 SER CA C 13 59.406 0.081 . 1 . . . . . 96 SER CA . 27146 1 1069 . 1 1 96 96 SER HA H 1 5.019 0.008 . 1 . . . . . 96 SER HA . 27146 1 1070 . 1 1 96 96 SER CB C 13 64.143 0.031 . 1 . . . . . 96 SER CB . 27146 1 1071 . 1 1 96 96 SER HB2 H 1 4.313 0.010 . 2 . . . . . 96 SER HB2 . 27146 1 1072 . 1 1 96 96 SER HB3 H 1 3.747 0.013 . 2 . . . . . 96 SER HB3 . 27146 1 1073 . 1 1 96 96 SER C C 13 173.332 0.001 . 1 . . . . . 96 SER C . 27146 1 1074 . 1 1 97 97 GLU N N 15 114.740 0.138 . 1 . . . . . 97 GLU N . 27146 1 1075 . 1 1 97 97 GLU H H 1 8.428 0.006 . 1 . . . . . 97 GLU HN . 27146 1 1076 . 1 1 97 97 GLU CA C 13 55.127 0.079 . 1 . . . . . 97 GLU CA . 27146 1 1077 . 1 1 97 97 GLU HA H 1 5.386 0.017 . 1 . . . . . 97 GLU HA . 27146 1 1078 . 1 1 97 97 GLU CB C 13 32.291 0.022 . 1 . . . . . 97 GLU CB . 27146 1 1079 . 1 1 97 97 GLU HB2 H 1 2.082 0.017 . 1 . . . . . 97 GLU HB2 . 27146 1 1080 . 1 1 97 97 GLU C C 13 176.831 0.001 . 1 . . . . . 97 GLU C . 27146 1 1081 . 1 1 98 98 ILE N N 15 117.333 0.063 . 1 . . . . . 98 ILE N . 27146 1 1082 . 1 1 98 98 ILE H H 1 9.367 0.008 . 1 . . . . . 98 ILE HN . 27146 1 1083 . 1 1 98 98 ILE CA C 13 59.686 0.149 . 1 . . . . . 98 ILE CA . 27146 1 1084 . 1 1 98 98 ILE HA H 1 5.048 0.020 . 1 . . . . . 98 ILE HA . 27146 1 1085 . 1 1 98 98 ILE CB C 13 41.762 0.125 . 1 . . . . . 98 ILE CB . 27146 1 1086 . 1 1 98 98 ILE HB H 1 2.039 0.019 . 1 . . . . . 98 ILE HB . 27146 1 1087 . 1 1 98 98 ILE CG2 C 13 18.072 0.121 . 1 . . . . . 98 ILE CG2 . 27146 1 1088 . 1 1 98 98 ILE HG21 H 1 1.036 0.016 . 1 . . . . . 98 ILE HG21 . 27146 1 1089 . 1 1 98 98 ILE HG22 H 1 1.036 0.016 . 1 . . . . . 98 ILE HG22 . 27146 1 1090 . 1 1 98 98 ILE HG23 H 1 1.036 0.016 . 1 . . . . . 98 ILE HG23 . 27146 1 1091 . 1 1 98 98 ILE CD1 C 13 13.683 0.091 . 1 . . . . . 98 ILE CD1 . 27146 1 1092 . 1 1 98 98 ILE HD11 H 1 0.429 0.010 . 1 . . . . . 98 ILE HD11 . 27146 1 1093 . 1 1 98 98 ILE HD12 H 1 0.429 0.010 . 1 . . . . . 98 ILE HD12 . 27146 1 1094 . 1 1 98 98 ILE HD13 H 1 0.429 0.010 . 1 . . . . . 98 ILE HD13 . 27146 1 1095 . 1 1 98 98 ILE C C 13 173.140 0.001 . 1 . . . . . 98 ILE C . 27146 1 1096 . 1 1 99 99 MET N N 15 122.302 0.079 . 1 . . . . . 99 MET N . 27146 1 1097 . 1 1 99 99 MET H H 1 9.315 0.005 . 1 . . . . . 99 MET HN . 27146 1 1098 . 1 1 99 99 MET CA C 13 53.499 0.200 . 1 . . . . . 99 MET CA . 27146 1 1099 . 1 1 99 99 MET HA H 1 4.814 0.014 . 1 . . . . . 99 MET HA . 27146 1 1100 . 1 1 99 99 MET CB C 13 34.913 0.035 . 1 . . . . . 99 MET CB . 27146 1 1101 . 1 1 99 99 MET CG C 13 32.050 0.016 . 1 . . . . . 99 MET CG . 27146 1 1102 . 1 1 99 99 MET HG2 H 1 1.891 0.001 . 1 . . . . . 99 MET HG1 . 27146 1 1103 . 1 1 99 99 MET HG3 H 1 1.562 0.010 . 1 . . . . . 99 MET HG2 . 27146 1 1104 . 1 1 99 99 MET CE C 13 18.020 0.037 . 1 . . . . . 99 MET CE . 27146 1 1105 . 1 1 99 99 MET HE1 H 1 1.796 0.005 . 1 . . . . . 99 MET HE1 . 27146 1 1106 . 1 1 99 99 MET HE2 H 1 1.796 0.005 . 1 . . . . . 99 MET HE2 . 27146 1 1107 . 1 1 99 99 MET HE3 H 1 1.796 0.005 . 1 . . . . . 99 MET HE3 . 27146 1 1108 . 1 1 99 99 MET C C 13 175.070 0.331 . 1 . . . . . 99 MET C . 27146 1 1109 . 1 1 100 100 ILE N N 15 125.309 0.147 . 1 . . . . . 100 ILE N . 27146 1 1110 . 1 1 100 100 ILE H H 1 9.277 0.006 . 1 . . . . . 100 ILE HN . 27146 1 1111 . 1 1 100 100 ILE CA C 13 60.272 0.081 . 1 . . . . . 100 ILE CA . 27146 1 1112 . 1 1 100 100 ILE HA H 1 4.206 0.014 . 1 . . . . . 100 ILE HA . 27146 1 1113 . 1 1 100 100 ILE CB C 13 38.688 0.117 . 1 . . . . . 100 ILE CB . 27146 1 1114 . 1 1 100 100 ILE HB H 1 1.884 0.009 . 1 . . . . . 100 ILE HB . 27146 1 1115 . 1 1 100 100 ILE CG1 C 13 27.419 0.107 . 1 . . . . . 100 ILE CG1 . 27146 1 1116 . 1 1 100 100 ILE HG12 H 1 1.454 0.002 . 2 . . . . . 100 ILE HG12 . 27146 1 1117 . 1 1 100 100 ILE HG13 H 1 1.116 0.007 . 2 . . . . . 100 ILE HG13 . 27146 1 1118 . 1 1 100 100 ILE CG2 C 13 20.193 0.022 . 1 . . . . . 100 ILE CG2 . 27146 1 1119 . 1 1 100 100 ILE HG21 H 1 0.971 0.009 . 1 . . . . . 100 ILE HG21 . 27146 1 1120 . 1 1 100 100 ILE HG22 H 1 0.971 0.009 . 1 . . . . . 100 ILE HG22 . 27146 1 1121 . 1 1 100 100 ILE HG23 H 1 0.971 0.009 . 1 . . . . . 100 ILE HG23 . 27146 1 1122 . 1 1 100 100 ILE CD1 C 13 14.035 0.076 . 1 . . . . . 100 ILE CD1 . 27146 1 1123 . 1 1 100 100 ILE HD11 H 1 0.502 0.006 . 1 . . . . . 100 ILE HD11 . 27146 1 1124 . 1 1 100 100 ILE HD12 H 1 0.502 0.006 . 1 . . . . . 100 ILE HD12 . 27146 1 1125 . 1 1 100 100 ILE HD13 H 1 0.502 0.006 . 1 . . . . . 100 ILE HD13 . 27146 1 1126 . 1 1 100 100 ILE C C 13 174.144 0.063 . 1 . . . . . 100 ILE C . 27146 1 1127 . 1 1 101 101 HIS N N 15 121.214 0.068 . 1 . . . . . 101 HIS N . 27146 1 1128 . 1 1 101 101 HIS H H 1 8.451 0.009 . 1 . . . . . 101 HIS HN . 27146 1 1129 . 1 1 101 101 HIS CA C 13 55.292 0.108 . 1 . . . . . 101 HIS CA . 27146 1 1130 . 1 1 101 101 HIS HA H 1 5.285 0.013 . 1 . . . . . 101 HIS HA . 27146 1 1131 . 1 1 101 101 HIS CB C 13 30.500 0.111 . 1 . . . . . 101 HIS CB . 27146 1 1132 . 1 1 101 101 HIS HB2 H 1 3.230 0.016 . 2 . . . . . 101 HIS HB2 . 27146 1 1133 . 1 1 101 101 HIS HB3 H 1 3.109 0.222 . 2 . . . . . 101 HIS HB3 . 27146 1 1134 . 1 1 101 101 HIS HD2 H 1 6.569 0.040 . 1 . . . . . 101 HIS HD2 . 27146 1 1135 . 1 1 101 101 HIS HE1 H 1 7.774 0.001 . 1 . . . . . 101 HIS HE1 . 27146 1 1136 . 1 1 101 101 HIS C C 13 176.131 0.001 . 1 . . . . . 101 HIS C . 27146 1 1137 . 1 1 102 102 SER N N 15 109.824 0.114 . 1 . . . . . 102 SER N . 27146 1 1138 . 1 1 102 102 SER H H 1 7.490 0.006 . 1 . . . . . 102 SER HN . 27146 1 1139 . 1 1 102 102 SER CA C 13 56.022 0.068 . 1 . . . . . 102 SER CA . 27146 1 1140 . 1 1 102 102 SER HA H 1 5.645 0.014 . 1 . . . . . 102 SER HA . 27146 1 1141 . 1 1 102 102 SER CB C 13 64.560 0.040 . 1 . . . . . 102 SER CB . 27146 1 1142 . 1 1 102 102 SER HB2 H 1 4.130 0.018 . 2 . . . . . 102 SER HB2 . 27146 1 1143 . 1 1 102 102 SER HB3 H 1 3.627 0.010 . 2 . . . . . 102 SER HB3 . 27146 1 1144 . 1 1 102 102 SER C C 13 174.420 0.001 . 1 . . . . . 102 SER C . 27146 1 1145 . 1 1 103 103 PHE N N 15 124.140 0.100 . 1 . . . . . 103 PHE N . 27146 1 1146 . 1 1 103 103 PHE H H 1 8.913 0.007 . 1 . . . . . 103 PHE HN . 27146 1 1147 . 1 1 103 103 PHE CA C 13 56.045 0.044 . 1 . . . . . 103 PHE CA . 27146 1 1148 . 1 1 103 103 PHE HA H 1 5.857 0.009 . 1 . . . . . 103 PHE HA . 27146 1 1149 . 1 1 103 103 PHE CB C 13 41.608 0.163 . 1 . . . . . 103 PHE CB . 27146 1 1150 . 1 1 103 103 PHE HB2 H 1 2.947 0.008 . 2 . . . . . 103 PHE HB2 . 27146 1 1151 . 1 1 103 103 PHE HB3 H 1 2.819 0.018 . 2 . . . . . 103 PHE HB3 . 27146 1 1152 . 1 1 103 103 PHE HD1 H 1 6.805 0.008 . 3 . . . . . 103 PHE HD1 . 27146 1 1153 . 1 1 103 103 PHE HD2 H 1 6.805 0.008 . 3 . . . . . 103 PHE HD2 . 27146 1 1154 . 1 1 103 103 PHE HE1 H 1 6.868 0.003 . 3 . . . . . 103 PHE HE1 . 27146 1 1155 . 1 1 103 103 PHE HE2 H 1 6.868 0.003 . 3 . . . . . 103 PHE HE2 . 27146 1 1156 . 1 1 103 103 PHE C C 13 172.278 0.001 . 1 . . . . . 103 PHE C . 27146 1 1157 . 1 1 104 104 THR N N 15 119.968 0.079 . 1 . . . . . 104 THR N . 27146 1 1158 . 1 1 104 104 THR H H 1 9.884 0.010 . 1 . . . . . 104 THR HN . 27146 1 1159 . 1 1 104 104 THR CA C 13 61.123 0.094 . 1 . . . . . 104 THR CA . 27146 1 1160 . 1 1 104 104 THR HA H 1 5.245 0.016 . 1 . . . . . 104 THR HA . 27146 1 1161 . 1 1 104 104 THR CB C 13 72.633 0.219 . 1 . . . . . 104 THR CB . 27146 1 1162 . 1 1 104 104 THR HB H 1 3.747 0.012 . 1 . . . . . 104 THR HB . 27146 1 1163 . 1 1 104 104 THR CG2 C 13 21.227 0.114 . 1 . . . . . 104 THR CG2 . 27146 1 1164 . 1 1 104 104 THR C C 13 173.255 0.001 . 1 . . . . . 104 THR C . 27146 1 1165 . 1 1 105 105 ILE N N 15 125.819 0.171 . 1 . . . . . 105 ILE N . 27146 1 1166 . 1 1 105 105 ILE H H 1 8.532 0.010 . 1 . . . . . 105 ILE HN . 27146 1 1167 . 1 1 105 105 ILE CA C 13 61.833 0.051 . 1 . . . . . 105 ILE CA . 27146 1 1168 . 1 1 105 105 ILE HA H 1 3.991 0.007 . 1 . . . . . 105 ILE HA . 27146 1 1169 . 1 1 105 105 ILE CB C 13 37.396 0.076 . 1 . . . . . 105 ILE CB . 27146 1 1170 . 1 1 105 105 ILE HB H 1 2.189 0.012 . 1 . . . . . 105 ILE HB . 27146 1 1171 . 1 1 105 105 ILE HG12 H 1 1.866 0.015 . 2 . . . . . 105 ILE HG12 . 27146 1 1172 . 1 1 105 105 ILE HG13 H 1 1.552 0.010 . 2 . . . . . 105 ILE HG13 . 27146 1 1173 . 1 1 105 105 ILE CG2 C 13 19.031 0.032 . 1 . . . . . 105 ILE CG2 . 27146 1 1174 . 1 1 105 105 ILE HG21 H 1 0.722 0.009 . 1 . . . . . 105 ILE HG21 . 27146 1 1175 . 1 1 105 105 ILE HG22 H 1 0.722 0.009 . 1 . . . . . 105 ILE HG22 . 27146 1 1176 . 1 1 105 105 ILE HG23 H 1 0.722 0.009 . 1 . . . . . 105 ILE HG23 . 27146 1 1177 . 1 1 105 105 ILE CD1 C 13 12.747 0.063 . 1 . . . . . 105 ILE CD1 . 27146 1 1178 . 1 1 105 105 ILE HD11 H 1 0.948 0.009 . 1 . . . . . 105 ILE HD11 . 27146 1 1179 . 1 1 105 105 ILE HD12 H 1 0.948 0.009 . 1 . . . . . 105 ILE HD12 . 27146 1 1180 . 1 1 105 105 ILE HD13 H 1 0.948 0.009 . 1 . . . . . 105 ILE HD13 . 27146 1 1181 . 1 1 106 106 ARG N N 15 125.356 0.099 . 1 . . . . . 106 ARG N . 27146 1 1182 . 1 1 106 106 ARG H H 1 8.261 0.009 . 1 . . . . . 106 ARG HN . 27146 1 1183 . 1 1 106 106 ARG CA C 13 52.349 0.026 . 1 . . . . . 106 ARG CA . 27146 1 1184 . 1 1 106 106 ARG HA H 1 4.800 0.021 . 1 . . . . . 106 ARG HA . 27146 1 1185 . 1 1 106 106 ARG CB C 13 32.273 0.102 . 1 . . . . . 106 ARG CB . 27146 1 1186 . 1 1 106 106 ARG HB2 H 1 1.865 0.014 . 2 . . . . . 106 ARG HB2 . 27146 1 1187 . 1 1 106 106 ARG HB3 H 1 1.865 0.014 . 2 . . . . . 106 ARG HB3 . 27146 1 1188 . 1 1 106 106 ARG C C 13 174.254 0.063 . 1 . . . . . 106 ARG C . 27146 1 1189 . 1 1 107 107 PHE N N 15 118.170 0.105 . 1 . . . . . 107 PHE N . 27146 1 1190 . 1 1 107 107 PHE H H 1 8.596 0.006 . 1 . . . . . 107 PHE HN . 27146 1 1191 . 1 1 107 107 PHE CA C 13 57.603 0.088 . 1 . . . . . 107 PHE CA . 27146 1 1192 . 1 1 107 107 PHE HA H 1 5.141 0.010 . 1 . . . . . 107 PHE HA . 27146 1 1193 . 1 1 107 107 PHE CB C 13 41.807 0.054 . 1 . . . . . 107 PHE CB . 27146 1 1194 . 1 1 107 107 PHE HB2 H 1 2.817 0.021 . 2 . . . . . 107 PHE HB2 . 27146 1 1195 . 1 1 107 107 PHE HB3 H 1 2.672 0.013 . 2 . . . . . 107 PHE HB3 . 27146 1 1196 . 1 1 107 107 PHE HD1 H 1 6.859 0.014 . 3 . . . . . 107 PHE HD1 . 27146 1 1197 . 1 1 107 107 PHE HD2 H 1 6.859 0.014 . 3 . . . . . 107 PHE HD2 . 27146 1 1198 . 1 1 107 107 PHE HE1 H 1 6.812 0.001 . 3 . . . . . 107 PHE HE1 . 27146 1 1199 . 1 1 107 107 PHE HE2 H 1 6.812 0.001 . 3 . . . . . 107 PHE HE2 . 27146 1 1200 . 1 1 107 107 PHE C C 13 174.874 0.001 . 1 . . . . . 107 PHE C . 27146 1 1201 . 1 1 108 108 TYR N N 15 125.093 0.130 . 1 . . . . . 108 TYR N . 27146 1 1202 . 1 1 108 108 TYR H H 1 9.277 0.006 . 1 . . . . . 108 TYR HN . 27146 1 1203 . 1 1 108 108 TYR CA C 13 53.806 0.240 . 1 . . . . . 108 TYR CA . 27146 1 1204 . 1 1 108 108 TYR HA H 1 5.328 0.013 . 1 . . . . . 108 TYR HA . 27146 1 1205 . 1 1 108 108 TYR CB C 13 42.356 0.125 . 1 . . . . . 108 TYR CB . 27146 1 1206 . 1 1 108 108 TYR HB2 H 1 3.299 0.019 . 2 . . . . . 108 TYR HB2 . 27146 1 1207 . 1 1 108 108 TYR HB3 H 1 2.888 0.010 . 2 . . . . . 108 TYR HB3 . 27146 1 1208 . 1 1 108 108 TYR HD1 H 1 6.829 0.010 . 3 . . . . . 108 TYR HD1 . 27146 1 1209 . 1 1 108 108 TYR HD2 H 1 6.829 0.010 . 3 . . . . . 108 TYR HD2 . 27146 1 1210 . 1 1 108 108 TYR HE1 H 1 6.395 0.009 . 3 . . . . . 108 TYR HE1 . 27146 1 1211 . 1 1 108 108 TYR HE2 H 1 6.395 0.009 . 3 . . . . . 108 TYR HE2 . 27146 1 1212 . 1 1 108 108 TYR C C 13 175.557 0.001 . 1 . . . . . 108 TYR C . 27146 1 1213 . 1 1 109 109 ASN N N 15 117.067 0.049 . 1 . . . . . 109 ASN N . 27146 1 1214 . 1 1 109 109 ASN H H 1 8.773 0.006 . 1 . . . . . 109 ASN HN . 27146 1 1215 . 1 1 109 109 ASN CA C 13 50.686 0.093 . 1 . . . . . 109 ASN CA . 27146 1 1216 . 1 1 109 109 ASN HA H 1 5.313 0.012 . 1 . . . . . 109 ASN HA . 27146 1 1217 . 1 1 109 109 ASN CB C 13 40.575 0.016 . 1 . . . . . 109 ASN CB . 27146 1 1218 . 1 1 109 109 ASN HB2 H 1 3.483 0.008 . 2 . . . . . 109 ASN HB2 . 27146 1 1219 . 1 1 109 109 ASN HB3 H 1 2.397 0.012 . 2 . . . . . 109 ASN HB3 . 27146 1 1220 . 1 1 109 109 ASN C C 13 175.962 0.088 . 1 . . . . . 109 ASN C . 27146 1 1221 . 1 1 110 110 ASP N N 15 116.017 0.088 . 1 . . . . . 110 ASP N . 27146 1 1222 . 1 1 110 110 ASP H H 1 8.169 0.013 . 1 . . . . . 110 ASP HN . 27146 1 1223 . 1 1 110 110 ASP CA C 13 58.806 0.066 . 1 . . . . . 110 ASP CA . 27146 1 1224 . 1 1 110 110 ASP HA H 1 4.321 0.011 . 1 . . . . . 110 ASP HA . 27146 1 1225 . 1 1 110 110 ASP CB C 13 42.492 0.124 . 1 . . . . . 110 ASP CB . 27146 1 1226 . 1 1 110 110 ASP HB2 H 1 2.796 0.009 . 2 . . . . . 110 ASP HB2 . 27146 1 1227 . 1 1 110 110 ASP HB3 H 1 2.796 0.009 . 2 . . . . . 110 ASP HB3 . 27146 1 1228 . 1 1 110 110 ASP C C 13 178.273 0.063 . 1 . . . . . 110 ASP C . 27146 1 1229 . 1 1 111 111 ASP N N 15 121.890 0.075 . 1 . . . . . 111 ASP N . 27146 1 1230 . 1 1 111 111 ASP H H 1 8.674 0.007 . 1 . . . . . 111 ASP HN . 27146 1 1231 . 1 1 111 111 ASP CA C 13 57.856 0.056 . 1 . . . . . 111 ASP CA . 27146 1 1232 . 1 1 111 111 ASP HA H 1 4.325 0.008 . 1 . . . . . 111 ASP HA . 27146 1 1233 . 1 1 111 111 ASP CB C 13 40.560 0.077 . 1 . . . . . 111 ASP CB . 27146 1 1234 . 1 1 111 111 ASP HB2 H 1 2.627 0.001 . 2 . . . . . 111 ASP HB2 . 27146 1 1235 . 1 1 111 111 ASP HB3 H 1 2.569 0.019 . 2 . . . . . 111 ASP HB3 . 27146 1 1236 . 1 1 111 111 ASP C C 13 179.452 0.001 . 1 . . . . . 111 ASP C . 27146 1 1237 . 1 1 112 112 GLN N N 15 120.606 0.075 . 1 . . . . . 112 GLN N . 27146 1 1238 . 1 1 112 112 GLN H H 1 8.647 0.007 . 1 . . . . . 112 GLN HN . 27146 1 1239 . 1 1 112 112 GLN CA C 13 58.424 0.048 . 1 . . . . . 112 GLN CA . 27146 1 1240 . 1 1 112 112 GLN HA H 1 3.910 0.010 . 1 . . . . . 112 GLN HA . 27146 1 1241 . 1 1 112 112 GLN CB C 13 28.813 0.075 . 1 . . . . . 112 GLN CB . 27146 1 1242 . 1 1 112 112 GLN HB2 H 1 2.207 0.012 . 2 . . . . . 112 GLN HB2 . 27146 1 1243 . 1 1 112 112 GLN C C 13 179.696 0.001 . 1 . . . . . 112 GLN C . 27146 1 1244 . 1 1 113 113 VAL N N 15 119.689 0.075 . 1 . . . . . 113 VAL N . 27146 1 1245 . 1 1 113 113 VAL H H 1 8.504 0.005 . 1 . . . . . 113 VAL HN . 27146 1 1246 . 1 1 113 113 VAL CA C 13 67.379 0.053 . 1 . . . . . 113 VAL CA . 27146 1 1247 . 1 1 113 113 VAL HA H 1 3.885 0.007 . 1 . . . . . 113 VAL HA . 27146 1 1248 . 1 1 113 113 VAL CB C 13 31.859 0.089 . 1 . . . . . 113 VAL CB . 27146 1 1249 . 1 1 113 113 VAL HB H 1 2.112 0.008 . 1 . . . . . 113 VAL HB . 27146 1 1250 . 1 1 113 113 VAL CG1 C 13 24.007 0.070 . 2 . . . . . 113 VAL CG1 . 27146 1 1251 . 1 1 113 113 VAL HG11 H 1 0.776 0.007 . 2 . . . . . 113 VAL HG11 . 27146 1 1252 . 1 1 113 113 VAL HG12 H 1 0.776 0.007 . 2 . . . . . 113 VAL HG12 . 27146 1 1253 . 1 1 113 113 VAL HG13 H 1 0.776 0.007 . 2 . . . . . 113 VAL HG13 . 27146 1 1254 . 1 1 113 113 VAL CG2 C 13 21.588 0.036 . 2 . . . . . 113 VAL CG2 . 27146 1 1255 . 1 1 113 113 VAL HG21 H 1 0.557 0.007 . 2 . . . . . 113 VAL HG21 . 27146 1 1256 . 1 1 113 113 VAL HG22 H 1 0.557 0.007 . 2 . . . . . 113 VAL HG22 . 27146 1 1257 . 1 1 113 113 VAL HG23 H 1 0.557 0.007 . 2 . . . . . 113 VAL HG23 . 27146 1 1258 . 1 1 113 113 VAL C C 13 177.387 0.001 . 1 . . . . . 113 VAL C . 27146 1 1259 . 1 1 114 114 GLN N N 15 118.881 0.100 . 1 . . . . . 114 GLN N . 27146 1 1260 . 1 1 114 114 GLN H H 1 8.087 0.003 . 1 . . . . . 114 GLN HN . 27146 1 1261 . 1 1 114 114 GLN CA C 13 59.225 0.072 . 1 . . . . . 114 GLN CA . 27146 1 1262 . 1 1 114 114 GLN HA H 1 4.015 0.011 . 1 . . . . . 114 GLN HA . 27146 1 1263 . 1 1 114 114 GLN CB C 13 28.318 0.146 . 1 . . . . . 114 GLN CB . 27146 1 1264 . 1 1 114 114 GLN HB2 H 1 2.073 0.011 . 2 . . . . . 114 GLN HB2 . 27146 1 1265 . 1 1 114 114 GLN HB3 H 1 2.073 0.011 . 2 . . . . . 114 GLN HB3 . 27146 1 1266 . 1 1 114 114 GLN CG C 13 33.855 0.063 . 1 . . . . . 114 GLN CG . 27146 1 1267 . 1 1 114 114 GLN HG2 H 1 2.303 0.021 . 2 . . . . . 114 GLN HG2 . 27146 1 1268 . 1 1 114 114 GLN HG3 H 1 2.303 0.021 . 2 . . . . . 114 GLN HG3 . 27146 1 1269 . 1 1 114 114 GLN NE2 N 15 111.126 0.173 . 1 . . . . . 114 GLN NE2 . 27146 1 1270 . 1 1 114 114 GLN HE21 H 1 7.402 0.002 . 1 . . . . . 114 GLN HE21 . 27146 1 1271 . 1 1 114 114 GLN HE22 H 1 6.797 0.002 . 1 . . . . . 114 GLN HE22 . 27146 1 1272 . 1 1 114 114 GLN C C 13 178.906 0.001 . 1 . . . . . 114 GLN C . 27146 1 1273 . 1 1 115 115 GLY N N 15 103.524 0.129 . 1 . . . . . 115 GLY N . 27146 1 1274 . 1 1 115 115 GLY H H 1 7.904 0.006 . 1 . . . . . 115 GLY HN . 27146 1 1275 . 1 1 115 115 GLY CA C 13 46.456 0.054 . 1 . . . . . 115 GLY CA . 27146 1 1276 . 1 1 115 115 GLY HA2 H 1 3.885 0.001 . 2 . . . . . 115 GLY HA2 . 27146 1 1277 . 1 1 115 115 GLY HA3 H 1 3.773 0.022 . 2 . . . . . 115 GLY HA3 . 27146 1 1278 . 1 1 115 115 GLY C C 13 174.682 0.063 . 1 . . . . . 115 GLY C . 27146 1 1279 . 1 1 116 116 PHE N N 15 120.278 0.083 . 1 . . . . . 116 PHE N . 27146 1 1280 . 1 1 116 116 PHE H H 1 7.787 0.007 . 1 . . . . . 116 PHE HN . 27146 1 1281 . 1 1 116 116 PHE CA C 13 58.389 0.205 . 1 . . . . . 116 PHE CA . 27146 1 1282 . 1 1 116 116 PHE HA H 1 4.514 0.011 . 1 . . . . . 116 PHE HA . 27146 1 1283 . 1 1 116 116 PHE CB C 13 41.269 0.058 . 1 . . . . . 116 PHE CB . 27146 1 1284 . 1 1 116 116 PHE HB2 H 1 2.938 0.015 . 2 . . . . . 116 PHE HB2 . 27146 1 1285 . 1 1 116 116 PHE HB3 H 1 2.569 0.013 . 2 . . . . . 116 PHE HB3 . 27146 1 1286 . 1 1 116 116 PHE HD1 H 1 6.573 0.017 . 3 . . . . . 116 PHE HD1 . 27146 1 1287 . 1 1 116 116 PHE HD2 H 1 6.573 0.017 . 3 . . . . . 116 PHE HD2 . 27146 1 1288 . 1 1 116 116 PHE HE1 H 1 6.710 0.011 . 3 . . . . . 116 PHE HE1 . 27146 1 1289 . 1 1 116 116 PHE HE2 H 1 6.710 0.011 . 3 . . . . . 116 PHE HE2 . 27146 1 1290 . 1 1 116 116 PHE C C 13 175.994 0.001 . 1 . . . . . 116 PHE C . 27146 1 1291 . 1 1 117 117 PHE N N 15 116.271 0.079 . 1 . . . . . 117 PHE N . 27146 1 1292 . 1 1 117 117 PHE H H 1 8.148 0.007 . 1 . . . . . 117 PHE HN . 27146 1 1293 . 1 1 117 117 PHE CA C 13 56.346 0.044 . 1 . . . . . 117 PHE CA . 27146 1 1294 . 1 1 117 117 PHE HA H 1 3.895 0.006 . 1 . . . . . 117 PHE HA . 27146 1 1295 . 1 1 117 117 PHE CB C 13 36.393 0.046 . 1 . . . . . 117 PHE CB . 27146 1 1296 . 1 1 117 117 PHE HD1 H 1 6.788 0.006 . 3 . . . . . 117 PHE HD1 . 27146 1 1297 . 1 1 117 117 PHE HD2 H 1 6.788 0.006 . 3 . . . . . 117 PHE HD2 . 27146 1 1298 . 1 1 117 117 PHE HE1 H 1 7.034 0.003 . 3 . . . . . 117 PHE HE1 . 27146 1 1299 . 1 1 117 117 PHE HE2 H 1 7.034 0.003 . 3 . . . . . 117 PHE HE2 . 27146 1 1300 . 1 1 117 117 PHE C C 13 175.067 0.063 . 1 . . . . . 117 PHE C . 27146 1 1301 . 1 1 118 118 ASP N N 15 118.098 0.093 . 1 . . . . . 118 ASP N . 27146 1 1302 . 1 1 118 118 ASP H H 1 7.805 0.007 . 1 . . . . . 118 ASP HN . 27146 1 1303 . 1 1 118 118 ASP CA C 13 55.379 0.031 . 1 . . . . . 118 ASP CA . 27146 1 1304 . 1 1 118 118 ASP HA H 1 4.325 0.007 . 1 . . . . . 118 ASP HA . 27146 1 1305 . 1 1 118 118 ASP CB C 13 41.251 0.072 . 1 . . . . . 118 ASP CB . 27146 1 1306 . 1 1 118 118 ASP HB2 H 1 3.102 0.008 . 2 . . . . . 118 ASP HB2 . 27146 1 1307 . 1 1 118 118 ASP HB3 H 1 2.420 0.014 . 2 . . . . . 118 ASP HB3 . 27146 1 1308 . 1 1 118 118 ASP C C 13 175.904 0.063 . 1 . . . . . 118 ASP C . 27146 1 1309 . 1 1 119 119 GLY N N 15 104.685 0.127 . 1 . . . . . 119 GLY N . 27146 1 1310 . 1 1 119 119 GLY H H 1 8.508 0.008 . 1 . . . . . 119 GLY HN . 27146 1 1311 . 1 1 119 119 GLY CA C 13 45.425 0.035 . 1 . . . . . 119 GLY CA . 27146 1 1312 . 1 1 119 119 GLY HA2 H 1 4.168 0.012 . 2 . . . . . 119 GLY HA2 . 27146 1 1313 . 1 1 119 119 GLY HA3 H 1 3.577 0.008 . 2 . . . . . 119 GLY HA3 . 27146 1 1314 . 1 1 119 119 GLY C C 13 174.393 0.063 . 1 . . . . . 119 GLY C . 27146 1 1315 . 1 1 120 120 LEU N N 15 123.670 0.039 . 1 . . . . . 120 LEU N . 27146 1 1316 . 1 1 120 120 LEU H H 1 6.947 0.003 . 1 . . . . . 120 LEU HN . 27146 1 1317 . 1 1 120 120 LEU CA C 13 56.585 0.163 . 1 . . . . . 120 LEU CA . 27146 1 1318 . 1 1 120 120 LEU HA H 1 3.835 0.011 . 1 . . . . . 120 LEU HA . 27146 1 1319 . 1 1 120 120 LEU CB C 13 42.454 0.078 . 1 . . . . . 120 LEU CB . 27146 1 1320 . 1 1 120 120 LEU HB2 H 1 1.456 0.021 . 2 . . . . . 120 LEU HB2 . 27146 1 1321 . 1 1 120 120 LEU HB3 H 1 1.289 0.011 . 2 . . . . . 120 LEU HB3 . 27146 1 1322 . 1 1 120 120 LEU CG C 13 27.417 0.016 . 1 . . . . . 120 LEU CG . 27146 1 1323 . 1 1 120 120 LEU HG H 1 0.371 0.006 . 1 . . . . . 120 LEU HG . 27146 1 1324 . 1 1 120 120 LEU CD1 C 13 22.920 0.043 . 2 . . . . . 120 LEU CD1 . 27146 1 1325 . 1 1 120 120 LEU HD11 H 1 0.561 0.011 . 2 . . . . . 120 LEU HD11 . 27146 1 1326 . 1 1 120 120 LEU HD12 H 1 0.561 0.011 . 2 . . . . . 120 LEU HD12 . 27146 1 1327 . 1 1 120 120 LEU HD13 H 1 0.561 0.011 . 2 . . . . . 120 LEU HD13 . 27146 1 1328 . 1 1 120 120 LEU CD2 C 13 26.649 0.071 . 2 . . . . . 120 LEU CD2 . 27146 1 1329 . 1 1 120 120 LEU HD21 H 1 0.543 0.006 . 2 . . . . . 120 LEU HD21 . 27146 1 1330 . 1 1 120 120 LEU HD22 H 1 0.543 0.006 . 2 . . . . . 120 LEU HD22 . 27146 1 1331 . 1 1 120 120 LEU HD23 H 1 0.543 0.006 . 2 . . . . . 120 LEU HD23 . 27146 1 1332 . 1 1 120 120 LEU C C 13 173.981 0.063 . 1 . . . . . 120 LEU C . 27146 1 1333 . 1 1 121 121 LYS N N 15 123.503 0.068 . 1 . . . . . 121 LYS N . 27146 1 1334 . 1 1 121 121 LYS H H 1 7.725 0.009 . 1 . . . . . 121 LYS HN . 27146 1 1335 . 1 1 121 121 LYS CA C 13 54.862 0.074 . 1 . . . . . 121 LYS CA . 27146 1 1336 . 1 1 121 121 LYS HA H 1 4.203 0.013 . 1 . . . . . 121 LYS HA . 27146 1 1337 . 1 1 121 121 LYS CB C 13 35.691 0.090 . 1 . . . . . 121 LYS CB . 27146 1 1338 . 1 1 121 121 LYS HB2 H 1 1.662 0.011 . 2 . . . . . 121 LYS HB2 . 27146 1 1339 . 1 1 121 121 LYS HB3 H 1 1.472 0.018 . 2 . . . . . 121 LYS HB3 . 27146 1 1340 . 1 1 121 121 LYS CG C 13 24.217 0.046 . 1 . . . . . 121 LYS CG . 27146 1 1341 . 1 1 121 121 LYS HG2 H 1 1.264 0.015 . 2 . . . . . 121 LYS HG2 . 27146 1 1342 . 1 1 121 121 LYS HG3 H 1 1.264 0.015 . 2 . . . . . 121 LYS HG3 . 27146 1 1343 . 1 1 121 121 LYS CD C 13 29.599 0.001 . 1 . . . . . 121 LYS CD . 27146 1 1344 . 1 1 121 121 LYS HD2 H 1 1.942 0.002 . 2 . . . . . 121 LYS HD2 . 27146 1 1345 . 1 1 121 121 LYS HD3 H 1 1.942 0.002 . 2 . . . . . 121 LYS HD3 . 27146 1 1346 . 1 1 121 121 LYS CE C 13 41.996 0.016 . 1 . . . . . 121 LYS CE . 27146 1 1347 . 1 1 121 121 LYS HE2 H 1 2.928 0.002 . 2 . . . . . 121 LYS HE2 . 27146 1 1348 . 1 1 121 121 LYS HE3 H 1 2.928 0.002 . 2 . . . . . 121 LYS HE3 . 27146 1 1349 . 1 1 121 121 LYS C C 13 175.453 0.063 . 1 . . . . . 121 LYS C . 27146 1 1350 . 1 1 122 122 PHE N N 15 122.355 0.059 . 1 . . . . . 122 PHE N . 27146 1 1351 . 1 1 122 122 PHE H H 1 9.129 0.008 . 1 . . . . . 122 PHE HN . 27146 1 1352 . 1 1 122 122 PHE CA C 13 57.830 0.124 . 1 . . . . . 122 PHE CA . 27146 1 1353 . 1 1 122 122 PHE HA H 1 4.535 0.009 . 1 . . . . . 122 PHE HA . 27146 1 1354 . 1 1 122 122 PHE CB C 13 41.132 0.074 . 1 . . . . . 122 PHE CB . 27146 1 1355 . 1 1 122 122 PHE HB2 H 1 3.137 0.015 . 2 . . . . . 122 PHE HB2 . 27146 1 1356 . 1 1 122 122 PHE HB3 H 1 2.731 0.005 . 2 . . . . . 122 PHE HB3 . 27146 1 1357 . 1 1 122 122 PHE HD1 H 1 6.756 0.005 . 3 . . . . . 122 PHE HD1 . 27146 1 1358 . 1 1 122 122 PHE HD2 H 1 6.756 0.005 . 3 . . . . . 122 PHE HD2 . 27146 1 1359 . 1 1 122 122 PHE HE1 H 1 6.244 0.004 . 3 . . . . . 122 PHE HE1 . 27146 1 1360 . 1 1 122 122 PHE HE2 H 1 6.244 0.004 . 3 . . . . . 122 PHE HE2 . 27146 1 1361 . 1 1 122 122 PHE HZ H 1 5.836 0.005 . 1 . . . . . 122 PHE HZ . 27146 1 1362 . 1 1 122 122 PHE C C 13 175.741 0.001 . 1 . . . . . 122 PHE C . 27146 1 1363 . 1 1 123 123 LYS N N 15 118.336 0.109 . 1 . . . . . 123 LYS N . 27146 1 1364 . 1 1 123 123 LYS H H 1 8.042 0.007 . 1 . . . . . 123 LYS HN . 27146 1 1365 . 1 1 123 123 LYS CA C 13 55.293 0.048 . 1 . . . . . 123 LYS CA . 27146 1 1366 . 1 1 123 123 LYS HA H 1 4.499 0.012 . 1 . . . . . 123 LYS HA . 27146 1 1367 . 1 1 123 123 LYS CB C 13 34.265 0.079 . 1 . . . . . 123 LYS CB . 27146 1 1368 . 1 1 123 123 LYS HB2 H 1 1.734 0.001 . 2 . . . . . 123 LYS HB2 . 27146 1 1369 . 1 1 123 123 LYS HB3 H 1 1.734 0.001 . 2 . . . . . 123 LYS HB3 . 27146 1 1370 . 1 1 123 123 LYS CG C 13 24.424 0.001 . 1 . . . . . 123 LYS CG . 27146 1 1371 . 1 1 123 123 LYS HG2 H 1 1.403 0.009 . 2 . . . . . 123 LYS HG2 . 27146 1 1372 . 1 1 123 123 LYS HG3 H 1 1.403 0.009 . 2 . . . . . 123 LYS HG3 . 27146 1 1373 . 1 1 123 123 LYS CD C 13 29.387 0.031 . 1 . . . . . 123 LYS CD . 27146 1 1374 . 1 1 123 123 LYS HD2 H 1 1.748 0.011 . 2 . . . . . 123 LYS HD2 . 27146 1 1375 . 1 1 123 123 LYS HD3 H 1 1.748 0.011 . 2 . . . . . 123 LYS HD3 . 27146 1 1376 . 1 1 123 123 LYS CE C 13 42.093 0.001 . 1 . . . . . 123 LYS CE . 27146 1 1377 . 1 1 123 123 LYS HE2 H 1 3.076 0.008 . 2 . . . . . 123 LYS HE2 . 27146 1 1378 . 1 1 123 123 LYS HE3 H 1 3.076 0.008 . 2 . . . . . 123 LYS HE3 . 27146 1 1379 . 1 1 123 123 LYS C C 13 175.880 0.063 . 1 . . . . . 123 LYS C . 27146 1 1380 . 1 1 124 124 GLN N N 15 119.501 0.044 . 1 . . . . . 124 GLN N . 27146 1 1381 . 1 1 124 124 GLN H H 1 8.367 0.010 . 1 . . . . . 124 GLN HN . 27146 1 1382 . 1 1 124 124 GLN CA C 13 56.912 0.092 . 1 . . . . . 124 GLN CA . 27146 1 1383 . 1 1 124 124 GLN HA H 1 4.160 0.013 . 1 . . . . . 124 GLN HA . 27146 1 1384 . 1 1 124 124 GLN CB C 13 29.320 0.084 . 1 . . . . . 124 GLN CB . 27146 1 1385 . 1 1 124 124 GLN HB2 H 1 2.031 0.036 . 2 . . . . . 124 GLN HB2 . 27146 1 1386 . 1 1 124 124 GLN HB3 H 1 1.986 0.044 . 2 . . . . . 124 GLN HB3 . 27146 1 1387 . 1 1 124 124 GLN CG C 13 33.826 0.016 . 1 . . . . . 124 GLN CG . 27146 1 1388 . 1 1 124 124 GLN HG2 H 1 2.325 0.007 . 2 . . . . . 124 GLN HG2 . 27146 1 1389 . 1 1 124 124 GLN HG3 H 1 2.325 0.007 . 2 . . . . . 124 GLN HG3 . 27146 1 1390 . 1 1 124 124 GLN NE2 N 15 112.331 0.001 . 1 . . . . . 124 GLN NE2 . 27146 1 1391 . 1 1 124 124 GLN HE21 H 1 7.533 0.002 . 1 . . . . . 124 GLN HE21 . 27146 1 1392 . 1 1 124 124 GLN HE22 H 1 6.798 0.001 . 1 . . . . . 124 GLN HE22 . 27146 1 1393 . 1 1 124 124 GLN C C 13 175.938 0.063 . 1 . . . . . 124 GLN C . 27146 1 1394 . 1 1 125 125 LYS N N 15 120.963 0.082 . 1 . . . . . 125 LYS N . 27146 1 1395 . 1 1 125 125 LYS H H 1 8.059 0.004 . 1 . . . . . 125 LYS HN . 27146 1 1396 . 1 1 125 125 LYS CA C 13 55.439 0.044 . 1 . . . . . 125 LYS CA . 27146 1 1397 . 1 1 125 125 LYS HA H 1 4.375 0.008 . 1 . . . . . 125 LYS HA . 27146 1 1398 . 1 1 125 125 LYS CB C 13 33.321 0.056 . 1 . . . . . 125 LYS CB . 27146 1 1399 . 1 1 125 125 LYS HB2 H 1 1.750 0.021 . 2 . . . . . 125 LYS HB2 . 27146 1 1400 . 1 1 125 125 LYS HB3 H 1 1.656 0.003 . 2 . . . . . 125 LYS HB3 . 27146 1 1401 . 1 1 125 125 LYS CE C 13 42.036 0.001 . 1 . . . . . 125 LYS CE . 27146 1 1402 . 1 1 125 125 LYS HE2 H 1 2.943 0.012 . 2 . . . . . 125 LYS HE2 . 27146 1 1403 . 1 1 125 125 LYS HE3 H 1 2.943 0.012 . 2 . . . . . 125 LYS HE3 . 27146 1 1404 . 1 1 125 125 LYS C C 13 175.139 0.063 . 1 . . . . . 125 LYS C . 27146 1 1405 . 1 1 126 126 ALA N N 15 127.225 0.063 . 1 . . . . . 126 ALA N . 27146 1 1406 . 1 1 126 126 ALA H H 1 8.372 0.007 . 1 . . . . . 126 ALA HN . 27146 1 1407 . 1 1 126 126 ALA CA C 13 52.673 0.102 . 1 . . . . . 126 ALA CA . 27146 1 1408 . 1 1 126 126 ALA HA H 1 4.194 0.008 . 1 . . . . . 126 ALA HA . 27146 1 1409 . 1 1 126 126 ALA CB C 13 19.891 0.069 . 1 . . . . . 126 ALA CB . 27146 1 1410 . 1 1 126 126 ALA HB1 H 1 1.378 0.008 . 1 . . . . . 126 ALA HB1 . 27146 1 1411 . 1 1 126 126 ALA HB2 H 1 1.378 0.008 . 1 . . . . . 126 ALA HB2 . 27146 1 1412 . 1 1 126 126 ALA HB3 H 1 1.378 0.008 . 1 . . . . . 126 ALA HB3 . 27146 1 1413 . 1 1 126 126 ALA C C 13 177.539 0.063 . 1 . . . . . 126 ALA C . 27146 1 1414 . 1 1 127 127 SER N N 15 116.398 0.031 . 1 . . . . . 127 SER N . 27146 1 1415 . 1 1 127 127 SER H H 1 9.052 0.008 . 1 . . . . . 127 SER HN . 27146 1 1416 . 1 1 127 127 SER CA C 13 56.942 0.123 . 1 . . . . . 127 SER CA . 27146 1 1417 . 1 1 127 127 SER HA H 1 4.724 0.020 . 1 . . . . . 127 SER HA . 27146 1 1418 . 1 1 127 127 SER CB C 13 64.787 0.036 . 1 . . . . . 127 SER CB . 27146 1 1419 . 1 1 127 127 SER HB2 H 1 3.978 0.015 . 2 . . . . . 127 SER HB2 . 27146 1 1420 . 1 1 127 127 SER HB3 H 1 3.853 0.009 . 2 . . . . . 127 SER HB3 . 27146 1 1421 . 1 1 127 127 SER C C 13 175.191 0.001 . 1 . . . . . 127 SER C . 27146 1 1422 . 1 1 128 128 LEU N N 15 124.301 0.102 . 1 . . . . . 128 LEU N . 27146 1 1423 . 1 1 128 128 LEU H H 1 8.681 0.008 . 1 . . . . . 128 LEU HN . 27146 1 1424 . 1 1 128 128 LEU CA C 13 55.659 0.047 . 1 . . . . . 128 LEU CA . 27146 1 1425 . 1 1 128 128 LEU HA H 1 4.322 0.009 . 1 . . . . . 128 LEU HA . 27146 1 1426 . 1 1 128 128 LEU CB C 13 42.064 0.123 . 1 . . . . . 128 LEU CB . 27146 1 1427 . 1 1 128 128 LEU HB2 H 1 1.653 0.017 . 2 . . . . . 128 LEU HB2 . 27146 1 1428 . 1 1 128 128 LEU HB3 H 1 1.611 0.001 . 2 . . . . . 128 LEU HB3 . 27146 1 1429 . 1 1 128 128 LEU HG H 1 1.648 0.001 . 1 . . . . . 128 LEU HG . 27146 1 1430 . 1 1 128 128 LEU CD1 C 13 25.102 0.039 . 2 . . . . . 128 LEU CD1 . 27146 1 1431 . 1 1 128 128 LEU HD11 H 1 0.891 0.014 . 2 . . . . . 128 LEU HD11 . 27146 1 1432 . 1 1 128 128 LEU HD12 H 1 0.891 0.014 . 2 . . . . . 128 LEU HD12 . 27146 1 1433 . 1 1 128 128 LEU HD13 H 1 0.891 0.014 . 2 . . . . . 128 LEU HD13 . 27146 1 1434 . 1 1 128 128 LEU CD2 C 13 23.248 0.031 . 2 . . . . . 128 LEU CD2 . 27146 1 1435 . 1 1 128 128 LEU HD21 H 1 0.838 0.006 . 2 . . . . . 128 LEU HD21 . 27146 1 1436 . 1 1 128 128 LEU HD22 H 1 0.838 0.006 . 2 . . . . . 128 LEU HD22 . 27146 1 1437 . 1 1 128 128 LEU HD23 H 1 0.838 0.006 . 2 . . . . . 128 LEU HD23 . 27146 1 1438 . 1 1 128 128 LEU C C 13 177.355 0.001 . 1 . . . . . 128 LEU C . 27146 1 1439 . 1 1 129 129 PHE N N 15 122.127 0.071 . 1 . . . . . 129 PHE N . 27146 1 1440 . 1 1 129 129 PHE H H 1 8.097 0.007 . 1 . . . . . 129 PHE HN . 27146 1 1441 . 1 1 129 129 PHE CA C 13 56.034 0.101 . 1 . . . . . 129 PHE CA . 27146 1 1442 . 1 1 129 129 PHE HA H 1 4.634 0.013 . 1 . . . . . 129 PHE HA . 27146 1 1443 . 1 1 129 129 PHE CB C 13 39.658 0.001 . 1 . . . . . 129 PHE CB . 27146 1 1444 . 1 1 129 129 PHE HB2 H 1 3.069 0.003 . 2 . . . . . 129 PHE HB2 . 27146 1 1445 . 1 1 129 129 PHE HB3 H 1 2.900 0.001 . 2 . . . . . 129 PHE HB3 . 27146 1 1446 . 1 1 129 129 PHE HD1 H 1 7.062 0.002 . 3 . . . . . 129 PHE HD1 . 27146 1 1447 . 1 1 129 129 PHE HD2 H 1 7.062 0.002 . 3 . . . . . 129 PHE HD2 . 27146 1 1448 . 1 1 129 129 PHE HE1 H 1 7.219 0.003 . 3 . . . . . 129 PHE HE1 . 27146 1 1449 . 1 1 129 129 PHE HE2 H 1 7.219 0.003 . 3 . . . . . 129 PHE HE2 . 27146 1 1450 . 1 1 129 129 PHE C C 13 174.618 0.001 . 1 . . . . . 129 PHE C . 27146 1 1451 . 1 1 130 130 PRO CA C 13 61.806 0.031 . 1 . . . . . 130 PRO CA . 27146 1 1452 . 1 1 130 130 PRO HA H 1 4.172 0.008 . 1 . . . . . 130 PRO HA . 27146 1 1453 . 1 1 130 130 PRO CB C 13 28.795 0.001 . 1 . . . . . 130 PRO CB . 27146 1 1454 . 1 1 130 130 PRO HG2 H 1 1.831 0.009 . 1 . . . . . 130 PRO HG1 . 27146 1 1455 . 1 1 130 130 PRO HG3 H 1 1.716 0.010 . 1 . . . . . 130 PRO HG2 . 27146 1 1456 . 1 1 130 130 PRO CD C 13 50.365 0.164 . 1 . . . . . 130 PRO CD . 27146 1 1457 . 1 1 130 130 PRO HD2 H 1 3.696 0.023 . 1 . . . . . 130 PRO HD1 . 27146 1 1458 . 1 1 130 130 PRO HD3 H 1 2.731 0.010 . 1 . . . . . 130 PRO HD2 . 27146 1 1459 . 1 1 130 130 PRO C C 13 174.215 0.001 . 1 . . . . . 130 PRO C . 27146 1 1460 . 1 1 131 131 GLY N N 15 109.437 0.063 . 1 . . . . . 131 GLY N . 27146 1 1461 . 1 1 131 131 GLY H H 1 7.403 0.010 . 1 . . . . . 131 GLY HN . 27146 1 1462 . 1 1 131 131 GLY CA C 13 44.999 0.107 . 1 . . . . . 131 GLY CA . 27146 1 1463 . 1 1 131 131 GLY HA2 H 1 3.449 0.012 . 2 . . . . . 131 GLY HA2 . 27146 1 1464 . 1 1 131 131 GLY HA3 H 1 3.938 0.013 . 2 . . . . . 131 GLY HA3 . 27146 1 1465 . 1 1 131 131 GLY C C 13 174.104 0.001 . 1 . . . . . 131 GLY C . 27146 1 1466 . 1 1 132 132 TYR N N 15 119.917 0.044 . 1 . . . . . 132 TYR N . 27146 1 1467 . 1 1 132 132 TYR H H 1 8.612 0.005 . 1 . . . . . 132 TYR HN . 27146 1 1468 . 1 1 132 132 TYR CA C 13 57.720 0.145 . 1 . . . . . 132 TYR CA . 27146 1 1469 . 1 1 132 132 TYR HA H 1 3.857 0.015 . 1 . . . . . 132 TYR HA . 27146 1 1470 . 1 1 132 132 TYR CB C 13 37.701 0.110 . 1 . . . . . 132 TYR CB . 27146 1 1471 . 1 1 132 132 TYR HB2 H 1 2.504 0.015 . 2 . . . . . 132 TYR HB2 . 27146 1 1472 . 1 1 132 132 TYR HB3 H 1 2.497 0.020 . 2 . . . . . 132 TYR HB3 . 27146 1 1473 . 1 1 132 132 TYR HD1 H 1 6.001 0.005 . 3 . . . . . 132 TYR HD1 . 27146 1 1474 . 1 1 132 132 TYR HD2 H 1 6.001 0.005 . 3 . . . . . 132 TYR HD2 . 27146 1 1475 . 1 1 132 132 TYR HE1 H 1 6.230 0.008 . 3 . . . . . 132 TYR HE1 . 27146 1 1476 . 1 1 132 132 TYR HE2 H 1 6.230 0.008 . 3 . . . . . 132 TYR HE2 . 27146 1 1477 . 1 1 132 132 TYR C C 13 172.737 0.063 . 1 . . . . . 132 TYR C . 27146 1 1478 . 1 1 133 133 LEU N N 15 129.259 0.301 . 1 . . . . . 133 LEU N . 27146 1 1479 . 1 1 133 133 LEU H H 1 7.523 0.008 . 1 . . . . . 133 LEU HN . 27146 1 1480 . 1 1 133 133 LEU CA C 13 56.784 0.123 . 1 . . . . . 133 LEU CA . 27146 1 1481 . 1 1 133 133 LEU HA H 1 3.982 0.011 . 1 . . . . . 133 LEU HA . 27146 1 1482 . 1 1 133 133 LEU CB C 13 43.336 0.134 . 1 . . . . . 133 LEU CB . 27146 1 1483 . 1 1 133 133 LEU HB2 H 1 1.568 0.006 . 2 . . . . . 133 LEU HB2 . 27146 1 1484 . 1 1 133 133 LEU CD1 C 13 28.351 0.113 . 2 . . . . . 133 LEU CD1 . 27146 1 1485 . 1 1 133 133 LEU HD11 H 1 0.698 0.006 . 2 . . . . . 133 LEU HD11 . 27146 1 1486 . 1 1 133 133 LEU HD12 H 1 0.698 0.006 . 2 . . . . . 133 LEU HD12 . 27146 1 1487 . 1 1 133 133 LEU HD13 H 1 0.698 0.006 . 2 . . . . . 133 LEU HD13 . 27146 1 1488 . 1 1 133 133 LEU C C 13 174.816 0.088 . 1 . . . . . 133 LEU C . 27146 1 1489 . 1 1 134 134 VAL N N 15 131.639 0.144 . 1 . . . . . 134 VAL N . 27146 1 1490 . 1 1 134 134 VAL H H 1 9.056 0.009 . 1 . . . . . 134 VAL HN . 27146 1 1491 . 1 1 134 134 VAL CA C 13 60.246 0.090 . 1 . . . . . 134 VAL CA . 27146 1 1492 . 1 1 134 134 VAL HA H 1 4.232 0.014 . 1 . . . . . 134 VAL HA . 27146 1 1493 . 1 1 134 134 VAL CB C 13 35.669 0.109 . 1 . . . . . 134 VAL CB . 27146 1 1494 . 1 1 134 134 VAL HB H 1 1.210 0.014 . 1 . . . . . 134 VAL HB . 27146 1 1495 . 1 1 134 134 VAL CG1 C 13 21.447 0.049 . 2 . . . . . 134 VAL CG1 . 27146 1 1496 . 1 1 134 134 VAL HG11 H 1 0.629 0.013 . 2 . . . . . 134 VAL HG11 . 27146 1 1497 . 1 1 134 134 VAL HG12 H 1 0.629 0.013 . 2 . . . . . 134 VAL HG12 . 27146 1 1498 . 1 1 134 134 VAL HG13 H 1 0.629 0.013 . 2 . . . . . 134 VAL HG13 . 27146 1 1499 . 1 1 134 134 VAL CG2 C 13 20.600 0.105 . 2 . . . . . 134 VAL CG2 . 27146 1 1500 . 1 1 134 134 VAL HG21 H 1 0.395 0.008 . 2 . . . . . 134 VAL HG21 . 27146 1 1501 . 1 1 134 134 VAL HG22 H 1 0.395 0.008 . 2 . . . . . 134 VAL HG22 . 27146 1 1502 . 1 1 134 134 VAL HG23 H 1 0.395 0.008 . 2 . . . . . 134 VAL HG23 . 27146 1 1503 . 1 1 134 134 VAL C C 13 174.266 0.063 . 1 . . . . . 134 VAL C . 27146 1 1504 . 1 1 135 135 LEU N N 15 123.336 0.136 . 1 . . . . . 135 LEU N . 27146 1 1505 . 1 1 135 135 LEU H H 1 7.926 0.008 . 1 . . . . . 135 LEU HN . 27146 1 1506 . 1 1 135 135 LEU CA C 13 53.949 0.093 . 1 . . . . . 135 LEU CA . 27146 1 1507 . 1 1 135 135 LEU HA H 1 4.313 0.018 . 1 . . . . . 135 LEU HA . 27146 1 1508 . 1 1 135 135 LEU CB C 13 42.407 0.156 . 1 . . . . . 135 LEU CB . 27146 1 1509 . 1 1 135 135 LEU HB2 H 1 1.629 0.017 . 2 . . . . . 135 LEU HB2 . 27146 1 1510 . 1 1 135 135 LEU HB3 H 1 0.703 0.011 . 2 . . . . . 135 LEU HB3 . 27146 1 1511 . 1 1 135 135 LEU CG C 13 26.416 0.100 . 1 . . . . . 135 LEU CG . 27146 1 1512 . 1 1 135 135 LEU HG H 1 1.373 0.012 . 1 . . . . . 135 LEU HG . 27146 1 1513 . 1 1 135 135 LEU CD1 C 13 23.085 0.041 . 2 . . . . . 135 LEU CD1 . 27146 1 1514 . 1 1 135 135 LEU HD11 H 1 0.301 0.008 . 2 . . . . . 135 LEU HD11 . 27146 1 1515 . 1 1 135 135 LEU HD12 H 1 0.301 0.008 . 2 . . . . . 135 LEU HD12 . 27146 1 1516 . 1 1 135 135 LEU HD13 H 1 0.301 0.008 . 2 . . . . . 135 LEU HD13 . 27146 1 1517 . 1 1 135 135 LEU CD2 C 13 25.112 0.064 . 2 . . . . . 135 LEU CD2 . 27146 1 1518 . 1 1 135 135 LEU HD21 H 1 0.181 0.024 . 2 . . . . . 135 LEU HD21 . 27146 1 1519 . 1 1 135 135 LEU HD22 H 1 0.181 0.024 . 2 . . . . . 135 LEU HD22 . 27146 1 1520 . 1 1 135 135 LEU HD23 H 1 0.181 0.024 . 2 . . . . . 135 LEU HD23 . 27146 1 1521 . 1 1 135 135 LEU C C 13 174.375 0.063 . 1 . . . . . 135 LEU C . 27146 1 1522 . 1 1 136 136 GLU N N 15 126.077 0.102 . 1 . . . . . 136 GLU N . 27146 1 1523 . 1 1 136 136 GLU H H 1 8.955 0.006 . 1 . . . . . 136 GLU HN . 27146 1 1524 . 1 1 136 136 GLU CA C 13 54.631 0.077 . 1 . . . . . 136 GLU CA . 27146 1 1525 . 1 1 136 136 GLU HA H 1 3.589 0.019 . 1 . . . . . 136 GLU HA . 27146 1 1526 . 1 1 136 136 GLU CB C 13 29.067 0.001 . 1 . . . . . 136 GLU CB . 27146 1 1527 . 1 1 136 136 GLU C C 13 175.125 0.063 . 1 . . . . . 136 GLU C . 27146 1 1528 . 1 1 137 137 ILE N N 15 127.139 0.112 . 1 . . . . . 137 ILE N . 27146 1 1529 . 1 1 137 137 ILE H H 1 9.233 0.007 . 1 . . . . . 137 ILE HN . 27146 1 1530 . 1 1 137 137 ILE CA C 13 61.890 0.123 . 1 . . . . . 137 ILE CA . 27146 1 1531 . 1 1 137 137 ILE HA H 1 3.878 0.006 . 1 . . . . . 137 ILE HA . 27146 1 1532 . 1 1 137 137 ILE CB C 13 39.154 0.086 . 1 . . . . . 137 ILE CB . 27146 1 1533 . 1 1 137 137 ILE HB H 1 1.434 0.017 . 1 . . . . . 137 ILE HB . 27146 1 1534 . 1 1 137 137 ILE CG1 C 13 27.218 0.182 . 1 . . . . . 137 ILE CG1 . 27146 1 1535 . 1 1 137 137 ILE HG12 H 1 0.629 0.011 . 2 . . . . . 137 ILE HG12 . 27146 1 1536 . 1 1 137 137 ILE HG13 H 1 1.326 0.006 . 2 . . . . . 137 ILE HG13 . 27146 1 1537 . 1 1 137 137 ILE CG2 C 13 19.137 0.104 . 1 . . . . . 137 ILE CG2 . 27146 1 1538 . 1 1 137 137 ILE HG21 H 1 0.779 0.009 . 1 . . . . . 137 ILE HG21 . 27146 1 1539 . 1 1 137 137 ILE HG22 H 1 0.779 0.009 . 1 . . . . . 137 ILE HG22 . 27146 1 1540 . 1 1 137 137 ILE HG23 H 1 0.779 0.009 . 1 . . . . . 137 ILE HG23 . 27146 1 1541 . 1 1 137 137 ILE CD1 C 13 13.581 0.063 . 1 . . . . . 137 ILE CD1 . 27146 1 1542 . 1 1 137 137 ILE HD11 H 1 0.273 0.007 . 1 . . . . . 137 ILE HD11 . 27146 1 1543 . 1 1 137 137 ILE HD12 H 1 0.273 0.007 . 1 . . . . . 137 ILE HD12 . 27146 1 1544 . 1 1 137 137 ILE HD13 H 1 0.273 0.007 . 1 . . . . . 137 ILE HD13 . 27146 1 1545 . 1 1 137 137 ILE C C 13 173.920 0.001 . 1 . . . . . 137 ILE C . 27146 1 1546 . 1 1 138 138 ASN N N 15 121.652 0.056 . 1 . . . . . 138 ASN N . 27146 1 1547 . 1 1 138 138 ASN H H 1 8.336 0.011 . 1 . . . . . 138 ASN HN . 27146 1 1548 . 1 1 138 138 ASN CA C 13 53.784 0.055 . 1 . . . . . 138 ASN CA . 27146 1 1549 . 1 1 138 138 ASN HA H 1 5.066 0.012 . 1 . . . . . 138 ASN HA . 27146 1 1550 . 1 1 138 138 ASN CB C 13 40.517 0.104 . 1 . . . . . 138 ASN CB . 27146 1 1551 . 1 1 138 138 ASN HB2 H 1 2.882 0.014 . 2 . . . . . 138 ASN HB2 . 27146 1 1552 . 1 1 138 138 ASN HB3 H 1 2.388 0.004 . 2 . . . . . 138 ASN HB3 . 27146 1 1553 . 1 1 138 138 ASN C C 13 176.235 0.001 . 1 . . . . . 138 ASN C . 27146 1 1554 . 1 1 139 139 ASP N N 15 117.627 0.056 . 1 . . . . . 139 ASP N . 27146 1 1555 . 1 1 139 139 ASP H H 1 7.419 0.003 . 1 . . . . . 139 ASP HN . 27146 1 1556 . 1 1 139 139 ASP CA C 13 54.871 0.048 . 1 . . . . . 139 ASP CA . 27146 1 1557 . 1 1 139 139 ASP HA H 1 5.294 0.007 . 1 . . . . . 139 ASP HA . 27146 1 1558 . 1 1 139 139 ASP CB C 13 43.742 0.126 . 1 . . . . . 139 ASP CB . 27146 1 1559 . 1 1 139 139 ASP HB2 H 1 2.912 0.008 . 2 . . . . . 139 ASP HB2 . 27146 1 1560 . 1 1 139 139 ASP HB3 H 1 2.627 0.003 . 2 . . . . . 139 ASP HB3 . 27146 1 1561 . 1 1 139 139 ASP C C 13 174.978 0.063 . 1 . . . . . 139 ASP C . 27146 1 1562 . 1 1 140 140 PHE N N 15 127.502 0.118 . 1 . . . . . 140 PHE N . 27146 1 1563 . 1 1 140 140 PHE H H 1 9.686 0.007 . 1 . . . . . 140 PHE HN . 27146 1 1564 . 1 1 140 140 PHE CA C 13 56.574 0.069 . 1 . . . . . 140 PHE CA . 27146 1 1565 . 1 1 140 140 PHE HA H 1 5.586 0.012 . 1 . . . . . 140 PHE HA . 27146 1 1566 . 1 1 140 140 PHE CB C 13 41.721 0.139 . 1 . . . . . 140 PHE CB . 27146 1 1567 . 1 1 140 140 PHE HB2 H 1 3.201 0.004 . 2 . . . . . 140 PHE HB2 . 27146 1 1568 . 1 1 140 140 PHE HB3 H 1 3.045 0.004 . 2 . . . . . 140 PHE HB3 . 27146 1 1569 . 1 1 140 140 PHE HD1 H 1 6.947 0.005 . 3 . . . . . 140 PHE HD1 . 27146 1 1570 . 1 1 140 140 PHE HD2 H 1 6.947 0.005 . 3 . . . . . 140 PHE HD2 . 27146 1 1571 . 1 1 140 140 PHE HE1 H 1 6.451 0.001 . 3 . . . . . 140 PHE HE1 . 27146 1 1572 . 1 1 140 140 PHE HE2 H 1 6.451 0.001 . 3 . . . . . 140 PHE HE2 . 27146 1 1573 . 1 1 140 140 PHE HZ H 1 6.239 0.002 . 1 . . . . . 140 PHE HZ . 27146 1 1574 . 1 1 140 140 PHE C C 13 171.451 0.088 . 1 . . . . . 140 PHE C . 27146 1 1575 . 1 1 141 141 SER N N 15 113.790 0.098 . 1 . . . . . 141 SER N . 27146 1 1576 . 1 1 141 141 SER H H 1 9.204 0.009 . 1 . . . . . 141 SER HN . 27146 1 1577 . 1 1 141 141 SER CA C 13 57.350 0.135 . 1 . . . . . 141 SER CA . 27146 1 1578 . 1 1 141 141 SER HA H 1 4.809 0.016 . 1 . . . . . 141 SER HA . 27146 1 1579 . 1 1 141 141 SER CB C 13 65.995 0.044 . 1 . . . . . 141 SER CB . 27146 1 1580 . 1 1 141 141 SER HB2 H 1 4.085 0.011 . 2 . . . . . 141 SER HB2 . 27146 1 1581 . 1 1 141 141 SER HB3 H 1 3.842 0.010 . 2 . . . . . 141 SER HB3 . 27146 1 1582 . 1 1 141 141 SER C C 13 173.974 0.063 . 1 . . . . . 141 SER C . 27146 1 1583 . 1 1 142 142 MET N N 15 119.734 0.063 . 1 . . . . . 142 MET N . 27146 1 1584 . 1 1 142 142 MET H H 1 9.171 0.006 . 1 . . . . . 142 MET HN . 27146 1 1585 . 1 1 142 142 MET CA C 13 54.945 0.081 . 1 . . . . . 142 MET CA . 27146 1 1586 . 1 1 142 142 MET HA H 1 4.956 0.021 . 1 . . . . . 142 MET HA . 27146 1 1587 . 1 1 142 142 MET CB C 13 29.318 0.011 . 1 . . . . . 142 MET CB . 27146 1 1588 . 1 1 142 142 MET CG C 13 30.569 0.022 . 1 . . . . . 142 MET CG . 27146 1 1589 . 1 1 142 142 MET HG2 H 1 2.543 0.012 . 1 . . . . . 142 MET HG1 . 27146 1 1590 . 1 1 142 142 MET HG3 H 1 2.365 0.013 . 1 . . . . . 142 MET HG2 . 27146 1 1591 . 1 1 142 142 MET CE C 13 14.316 0.042 . 1 . . . . . 142 MET CE . 27146 1 1592 . 1 1 142 142 MET HE1 H 1 2.199 0.006 . 1 . . . . . 142 MET HE1 . 27146 1 1593 . 1 1 142 142 MET HE2 H 1 2.199 0.006 . 1 . . . . . 142 MET HE2 . 27146 1 1594 . 1 1 142 142 MET HE3 H 1 2.199 0.006 . 1 . . . . . 142 MET HE3 . 27146 1 1595 . 1 1 142 142 MET C C 13 176.373 0.001 . 1 . . . . . 142 MET C . 27146 1 1596 . 1 1 143 143 PHE N N 15 124.439 0.036 . 1 . . . . . 143 PHE N . 27146 1 1597 . 1 1 143 143 PHE H H 1 9.087 0.011 . 1 . . . . . 143 PHE HN . 27146 1 1598 . 1 1 143 143 PHE CA C 13 59.126 0.038 . 1 . . . . . 143 PHE CA . 27146 1 1599 . 1 1 143 143 PHE HA H 1 4.788 0.014 . 1 . . . . . 143 PHE HA . 27146 1 1600 . 1 1 143 143 PHE CB C 13 41.674 0.132 . 1 . . . . . 143 PHE CB . 27146 1 1601 . 1 1 143 143 PHE HB2 H 1 2.922 0.014 . 2 . . . . . 143 PHE HB2 . 27146 1 1602 . 1 1 143 143 PHE HB3 H 1 2.582 0.014 . 2 . . . . . 143 PHE HB3 . 27146 1 1603 . 1 1 143 143 PHE HD1 H 1 7.289 0.006 . 3 . . . . . 143 PHE HD1 . 27146 1 1604 . 1 1 143 143 PHE HD2 H 1 7.289 0.006 . 3 . . . . . 143 PHE HD2 . 27146 1 1605 . 1 1 143 143 PHE HE1 H 1 7.146 0.001 . 3 . . . . . 143 PHE HE1 . 27146 1 1606 . 1 1 143 143 PHE HE2 H 1 7.146 0.001 . 3 . . . . . 143 PHE HE2 . 27146 1 1607 . 1 1 143 143 PHE C C 13 174.663 0.001 . 1 . . . . . 143 PHE C . 27146 1 1608 . 1 1 144 144 ASN N N 15 117.384 0.068 . 1 . . . . . 144 ASN N . 27146 1 1609 . 1 1 144 144 ASN H H 1 8.442 0.009 . 1 . . . . . 144 ASN HN . 27146 1 1610 . 1 1 144 144 ASN CA C 13 52.772 0.191 . 1 . . . . . 144 ASN CA . 27146 1 1611 . 1 1 144 144 ASN HA H 1 4.720 0.020 . 1 . . . . . 144 ASN HA . 27146 1 1612 . 1 1 144 144 ASN CB C 13 40.581 0.261 . 1 . . . . . 144 ASN CB . 27146 1 1613 . 1 1 144 144 ASN HB2 H 1 3.053 0.014 . 2 . . . . . 144 ASN HB2 . 27146 1 1614 . 1 1 144 144 ASN HB3 H 1 2.568 0.010 . 2 . . . . . 144 ASN HB3 . 27146 1 1615 . 1 1 144 144 ASN ND2 N 15 111.010 0.075 . 1 . . . . . 144 ASN ND2 . 27146 1 1616 . 1 1 144 144 ASN HD21 H 1 7.542 0.002 . 1 . . . . . 144 ASN HD21 . 27146 1 1617 . 1 1 144 144 ASN HD22 H 1 7.019 0.006 . 1 . . . . . 144 ASN HD22 . 27146 1 1618 . 1 1 144 144 ASN C C 13 174.510 0.063 . 1 . . . . . 144 ASN C . 27146 1 1619 . 1 1 145 145 ARG N N 15 121.853 0.088 . 1 . . . . . 145 ARG N . 27146 1 1620 . 1 1 145 145 ARG H H 1 8.680 0.006 . 1 . . . . . 145 ARG HN . 27146 1 1621 . 1 1 146 146 ASP N N 15 121.403 0.044 . 1 . . . . . 146 ASP N . 27146 1 1622 . 1 1 146 146 ASP H H 1 8.184 0.005 . 1 . . . . . 146 ASP HN . 27146 1 1623 . 1 1 146 146 ASP CA C 13 55.178 0.001 . 1 . . . . . 146 ASP CA . 27146 1 1624 . 1 1 146 146 ASP HA H 1 4.359 0.009 . 1 . . . . . 146 ASP HA . 27146 1 1625 . 1 1 146 146 ASP CB C 13 40.405 0.165 . 1 . . . . . 146 ASP CB . 27146 1 1626 . 1 1 146 146 ASP HB2 H 1 2.613 0.018 . 2 . . . . . 146 ASP HB2 . 27146 1 1627 . 1 1 146 146 ASP HB3 H 1 2.483 0.069 . 2 . . . . . 146 ASP HB3 . 27146 1 1628 . 1 1 146 146 ASP C C 13 175.117 0.001 . 1 . . . . . 146 ASP C . 27146 1 1629 . 1 1 147 147 GLN N N 15 122.109 0.086 . 1 . . . . . 147 GLN N . 27146 1 1630 . 1 1 147 147 GLN H H 1 8.390 0.006 . 1 . . . . . 147 GLN HN . 27146 1 1631 . 1 1 147 147 GLN CA C 13 55.060 0.022 . 1 . . . . . 147 GLN CA . 27146 1 1632 . 1 1 147 147 GLN HA H 1 4.171 0.014 . 1 . . . . . 147 GLN HA . 27146 1 1633 . 1 1 147 147 GLN CG C 13 33.790 0.001 . 1 . . . . . 147 GLN CG . 27146 1 1634 . 1 1 147 147 GLN HG2 H 1 2.059 0.001 . 1 . . . . . 147 GLN HG1 . 27146 1 1635 . 1 1 147 147 GLN HG3 H 1 2.059 0.001 . 1 . . . . . 147 GLN HG2 . 27146 1 1636 . 1 1 147 147 GLN C C 13 175.164 0.063 . 1 . . . . . 147 GLN C . 27146 1 1637 . 1 1 148 148 LEU N N 15 123.515 0.063 . 1 . . . . . 148 LEU N . 27146 1 1638 . 1 1 148 148 LEU H H 1 7.693 0.022 . 1 . . . . . 148 LEU HN . 27146 1 1639 . 1 1 148 148 LEU CA C 13 54.168 0.080 . 1 . . . . . 148 LEU CA . 27146 1 1640 . 1 1 148 148 LEU HA H 1 4.418 0.016 . 1 . . . . . 148 LEU HA . 27146 1 1641 . 1 1 148 148 LEU CB C 13 42.863 0.136 . 1 . . . . . 148 LEU CB . 27146 1 1642 . 1 1 148 148 LEU HB2 H 1 1.463 0.025 . 2 . . . . . 148 LEU HB2 . 27146 1 1643 . 1 1 148 148 LEU HB3 H 1 1.413 0.045 . 2 . . . . . 148 LEU HB3 . 27146 1 1644 . 1 1 148 148 LEU HG H 1 1.439 0.002 . 1 . . . . . 148 LEU HG . 27146 1 1645 . 1 1 148 148 LEU CD1 C 13 25.214 0.059 . 2 . . . . . 148 LEU CD1 . 27146 1 1646 . 1 1 148 148 LEU HD11 H 1 0.861 0.010 . 2 . . . . . 148 LEU HD11 . 27146 1 1647 . 1 1 148 148 LEU HD12 H 1 0.861 0.010 . 2 . . . . . 148 LEU HD12 . 27146 1 1648 . 1 1 148 148 LEU HD13 H 1 0.861 0.010 . 2 . . . . . 148 LEU HD13 . 27146 1 1649 . 1 1 148 148 LEU CD2 C 13 23.597 0.130 . 2 . . . . . 148 LEU CD2 . 27146 1 1650 . 1 1 148 148 LEU HD21 H 1 0.788 0.012 . 2 . . . . . 148 LEU HD21 . 27146 1 1651 . 1 1 148 148 LEU HD22 H 1 0.788 0.012 . 2 . . . . . 148 LEU HD22 . 27146 1 1652 . 1 1 148 148 LEU HD23 H 1 0.788 0.012 . 2 . . . . . 148 LEU HD23 . 27146 1 1653 . 1 1 148 148 LEU C C 13 176.686 0.001 . 1 . . . . . 148 LEU C . 27146 1 1654 . 1 1 149 149 ILE N N 15 125.103 0.001 . 1 . . . . . 149 ILE N . 27146 1 1655 . 1 1 149 149 ILE H H 1 8.516 0.008 . 1 . . . . . 149 ILE HN . 27146 1 1656 . 1 1 149 149 ILE CA C 13 61.074 0.078 . 1 . . . . . 149 ILE CA . 27146 1 1657 . 1 1 149 149 ILE HA H 1 3.905 0.007 . 1 . . . . . 149 ILE HA . 27146 1 1658 . 1 1 149 149 ILE CB C 13 38.413 0.078 . 1 . . . . . 149 ILE CB . 27146 1 1659 . 1 1 149 149 ILE HB H 1 1.706 0.009 . 1 . . . . . 149 ILE HB . 27146 1 1660 . 1 1 149 149 ILE CG1 C 13 28.146 0.053 . 1 . . . . . 149 ILE CG1 . 27146 1 1661 . 1 1 149 149 ILE HG12 H 1 1.453 0.009 . 2 . . . . . 149 ILE HG12 . 27146 1 1662 . 1 1 149 149 ILE HG13 H 1 1.117 0.008 . 2 . . . . . 149 ILE HG13 . 27146 1 1663 . 1 1 149 149 ILE CG2 C 13 17.565 0.030 . 1 . . . . . 149 ILE CG2 . 27146 1 1664 . 1 1 149 149 ILE HG21 H 1 0.800 0.005 . 1 . . . . . 149 ILE HG21 . 27146 1 1665 . 1 1 149 149 ILE HG22 H 1 0.800 0.005 . 1 . . . . . 149 ILE HG22 . 27146 1 1666 . 1 1 149 149 ILE HG23 H 1 0.800 0.005 . 1 . . . . . 149 ILE HG23 . 27146 1 1667 . 1 1 149 149 ILE CD1 C 13 12.945 0.045 . 1 . . . . . 149 ILE CD1 . 27146 1 1668 . 1 1 149 149 ILE HD11 H 1 0.794 0.008 . 1 . . . . . 149 ILE HD11 . 27146 1 1669 . 1 1 149 149 ILE HD12 H 1 0.794 0.008 . 1 . . . . . 149 ILE HD12 . 27146 1 1670 . 1 1 149 149 ILE HD13 H 1 0.794 0.008 . 1 . . . . . 149 ILE HD13 . 27146 1 1671 . 1 1 149 149 ILE C C 13 176.577 0.063 . 1 . . . . . 149 ILE C . 27146 1 1672 . 1 1 150 150 LEU N N 15 128.428 0.090 . 1 . . . . . 150 LEU N . 27146 1 1673 . 1 1 150 150 LEU H H 1 8.925 0.007 . 1 . . . . . 150 LEU HN . 27146 1 1674 . 1 1 150 150 LEU CA C 13 54.255 0.079 . 1 . . . . . 150 LEU CA . 27146 1 1675 . 1 1 150 150 LEU HA H 1 4.417 0.012 . 1 . . . . . 150 LEU HA . 27146 1 1676 . 1 1 150 150 LEU CB C 13 42.519 0.148 . 1 . . . . . 150 LEU CB . 27146 1 1677 . 1 1 150 150 LEU HB2 H 1 1.613 0.013 . 2 . . . . . 150 LEU HB2 . 27146 1 1678 . 1 1 150 150 LEU HB3 H 1 1.460 0.008 . 2 . . . . . 150 LEU HB3 . 27146 1 1679 . 1 1 150 150 LEU CG C 13 27.028 0.080 . 1 . . . . . 150 LEU CG . 27146 1 1680 . 1 1 150 150 LEU HG H 1 1.536 0.006 . 1 . . . . . 150 LEU HG . 27146 1 1681 . 1 1 150 150 LEU CD1 C 13 25.274 0.048 . 2 . . . . . 150 LEU CD1 . 27146 1 1682 . 1 1 150 150 LEU HD11 H 1 0.828 0.003 . 2 . . . . . 150 LEU HD11 . 27146 1 1683 . 1 1 150 150 LEU HD12 H 1 0.828 0.003 . 2 . . . . . 150 LEU HD12 . 27146 1 1684 . 1 1 150 150 LEU HD13 H 1 0.828 0.003 . 2 . . . . . 150 LEU HD13 . 27146 1 1685 . 1 1 150 150 LEU HD21 H 1 0.772 0.006 . 2 . . . . . 150 LEU HD21 . 27146 1 1686 . 1 1 150 150 LEU HD22 H 1 0.772 0.006 . 2 . . . . . 150 LEU HD22 . 27146 1 1687 . 1 1 150 150 LEU HD23 H 1 0.772 0.006 . 2 . . . . . 150 LEU HD23 . 27146 1 1688 . 1 1 150 150 LEU C C 13 178.385 0.088 . 1 . . . . . 150 LEU C . 27146 1 1689 . 1 1 151 151 SER N N 15 121.752 0.044 . 1 . . . . . 151 SER N . 27146 1 1690 . 1 1 151 151 SER H H 1 8.951 0.004 . 1 . . . . . 151 SER HN . 27146 1 1691 . 1 1 151 151 SER CA C 13 60.503 0.031 . 1 . . . . . 151 SER CA . 27146 1 1692 . 1 1 151 151 SER HA H 1 4.127 0.016 . 1 . . . . . 151 SER HA . 27146 1 1693 . 1 1 151 151 SER CB C 13 62.925 0.162 . 1 . . . . . 151 SER CB . 27146 1 1694 . 1 1 151 151 SER HB2 H 1 3.854 0.011 . 2 . . . . . 151 SER HB2 . 27146 1 1695 . 1 1 151 151 SER HB3 H 1 3.854 0.011 . 2 . . . . . 151 SER HB3 . 27146 1 1696 . 1 1 151 151 SER C C 13 174.538 0.001 . 1 . . . . . 151 SER C . 27146 1 1697 . 1 1 152 152 ASN N N 15 117.184 0.064 . 1 . . . . . 152 ASN N . 27146 1 1698 . 1 1 152 152 ASN H H 1 8.290 0.006 . 1 . . . . . 152 ASN HN . 27146 1 1699 . 1 1 152 152 ASN CA C 13 52.207 0.099 . 1 . . . . . 152 ASN CA . 27146 1 1700 . 1 1 152 152 ASN HA H 1 4.842 0.009 . 1 . . . . . 152 ASN HA . 27146 1 1701 . 1 1 152 152 ASN CB C 13 37.175 0.066 . 1 . . . . . 152 ASN CB . 27146 1 1702 . 1 1 152 152 ASN HB2 H 1 2.917 0.015 . 2 . . . . . 152 ASN HB2 . 27146 1 1703 . 1 1 152 152 ASN HB3 H 1 2.706 0.148 . 2 . . . . . 152 ASN HB3 . 27146 1 1704 . 1 1 152 152 ASN ND2 N 15 111.715 0.067 . 1 . . . . . 152 ASN ND2 . 27146 1 1705 . 1 1 152 152 ASN HD21 H 1 7.425 0.004 . 1 . . . . . 152 ASN HD21 . 27146 1 1706 . 1 1 152 152 ASN HD22 H 1 6.738 0.003 . 1 . . . . . 152 ASN HD22 . 27146 1 1707 . 1 1 152 152 ASN C C 13 175.823 0.063 . 1 . . . . . 152 ASN C . 27146 1 1708 . 1 1 153 153 ALA N N 15 122.168 0.104 . 1 . . . . . 153 ALA N . 27146 1 1709 . 1 1 153 153 ALA H H 1 7.576 0.007 . 1 . . . . . 153 ALA HN . 27146 1 1710 . 1 1 153 153 ALA CA C 13 55.333 0.085 . 1 . . . . . 153 ALA CA . 27146 1 1711 . 1 1 153 153 ALA HA H 1 3.802 0.008 . 1 . . . . . 153 ALA HA . 27146 1 1712 . 1 1 153 153 ALA CB C 13 18.748 0.061 . 1 . . . . . 153 ALA CB . 27146 1 1713 . 1 1 153 153 ALA HB1 H 1 1.437 0.007 . 1 . . . . . 153 ALA HB1 . 27146 1 1714 . 1 1 153 153 ALA HB2 H 1 1.437 0.007 . 1 . . . . . 153 ALA HB2 . 27146 1 1715 . 1 1 153 153 ALA HB3 H 1 1.437 0.007 . 1 . . . . . 153 ALA HB3 . 27146 1 1716 . 1 1 153 153 ALA C C 13 178.923 0.063 . 1 . . . . . 153 ALA C . 27146 1 1717 . 1 1 154 154 GLY N N 15 103.535 0.120 . 1 . . . . . 154 GLY N . 27146 1 1718 . 1 1 154 154 GLY H H 1 8.672 0.005 . 1 . . . . . 154 GLY HN . 27146 1 1719 . 1 1 154 154 GLY CA C 13 45.660 0.056 . 1 . . . . . 154 GLY CA . 27146 1 1720 . 1 1 154 154 GLY HA2 H 1 3.981 0.009 . 2 . . . . . 154 GLY HA2 . 27146 1 1721 . 1 1 154 154 GLY HA3 H 1 3.789 0.011 . 2 . . . . . 154 GLY HA3 . 27146 1 1722 . 1 1 154 154 GLY C C 13 174.750 0.001 . 1 . . . . . 154 GLY C . 27146 1 1723 . 1 1 155 155 THR N N 15 109.333 0.061 . 1 . . . . . 155 THR N . 27146 1 1724 . 1 1 155 155 THR H H 1 7.623 0.006 . 1 . . . . . 155 THR HN . 27146 1 1725 . 1 1 155 155 THR CA C 13 61.364 0.051 . 1 . . . . . 155 THR CA . 27146 1 1726 . 1 1 155 155 THR HA H 1 4.389 0.013 . 1 . . . . . 155 THR HA . 27146 1 1727 . 1 1 155 155 THR CB C 13 69.676 0.057 . 1 . . . . . 155 THR CB . 27146 1 1728 . 1 1 155 155 THR HB H 1 4.336 0.014 . 1 . . . . . 155 THR HB . 27146 1 1729 . 1 1 155 155 THR CG2 C 13 21.679 0.082 . 1 . . . . . 155 THR CG2 . 27146 1 1730 . 1 1 155 155 THR C C 13 174.577 0.088 . 1 . . . . . 155 THR C . 27146 1 1731 . 1 1 156 156 ILE N N 15 123.733 0.037 . 1 . . . . . 156 ILE N . 27146 1 1732 . 1 1 156 156 ILE H H 1 7.279 0.002 . 1 . . . . . 156 ILE HN . 27146 1 1733 . 1 1 156 156 ILE CA C 13 61.778 0.058 . 1 . . . . . 156 ILE CA . 27146 1 1734 . 1 1 156 156 ILE HA H 1 3.967 0.008 . 1 . . . . . 156 ILE HA . 27146 1 1735 . 1 1 156 156 ILE CB C 13 37.944 0.096 . 1 . . . . . 156 ILE CB . 27146 1 1736 . 1 1 156 156 ILE HB H 1 1.541 0.008 . 1 . . . . . 156 ILE HB . 27146 1 1737 . 1 1 156 156 ILE CG1 C 13 27.772 0.098 . 1 . . . . . 156 ILE CG1 . 27146 1 1738 . 1 1 156 156 ILE HG12 H 1 1.390 0.011 . 2 . . . . . 156 ILE HG12 . 27146 1 1739 . 1 1 156 156 ILE HG13 H 1 0.824 0.011 . 2 . . . . . 156 ILE HG13 . 27146 1 1740 . 1 1 156 156 ILE CG2 C 13 16.956 0.023 . 1 . . . . . 156 ILE CG2 . 27146 1 1741 . 1 1 156 156 ILE HG21 H 1 0.526 0.009 . 1 . . . . . 156 ILE HG21 . 27146 1 1742 . 1 1 156 156 ILE HG22 H 1 0.526 0.009 . 1 . . . . . 156 ILE HG22 . 27146 1 1743 . 1 1 156 156 ILE HG23 H 1 0.526 0.009 . 1 . . . . . 156 ILE HG23 . 27146 1 1744 . 1 1 156 156 ILE CD1 C 13 13.627 0.088 . 1 . . . . . 156 ILE CD1 . 27146 1 1745 . 1 1 156 156 ILE HD11 H 1 0.509 0.015 . 1 . . . . . 156 ILE HD11 . 27146 1 1746 . 1 1 156 156 ILE HD12 H 1 0.509 0.015 . 1 . . . . . 156 ILE HD12 . 27146 1 1747 . 1 1 156 156 ILE HD13 H 1 0.509 0.015 . 1 . . . . . 156 ILE HD13 . 27146 1 1748 . 1 1 156 156 ILE C C 13 175.135 0.063 . 1 . . . . . 156 ILE C . 27146 1 1749 . 1 1 157 157 GLU N N 15 126.739 0.085 . 1 . . . . . 157 GLU N . 27146 1 1750 . 1 1 157 157 GLU H H 1 8.770 0.008 . 1 . . . . . 157 GLU HN . 27146 1 1751 . 1 1 157 157 GLU CA C 13 54.941 0.031 . 1 . . . . . 157 GLU CA . 27146 1 1752 . 1 1 157 157 GLU HA H 1 4.531 0.014 . 1 . . . . . 157 GLU HA . 27146 1 1753 . 1 1 157 157 GLU CB C 13 32.167 0.107 . 1 . . . . . 157 GLU CB . 27146 1 1754 . 1 1 157 157 GLU HB2 H 1 2.298 0.009 . 2 . . . . . 157 GLU HB2 . 27146 1 1755 . 1 1 157 157 GLU HB3 H 1 1.992 0.007 . 2 . . . . . 157 GLU HB3 . 27146 1 1756 . 1 1 157 157 GLU CG C 13 36.312 0.042 . 1 . . . . . 157 GLU CG . 27146 1 1757 . 1 1 157 157 GLU HG2 H 1 2.452 0.012 . 2 . . . . . 157 GLU HG2 . 27146 1 1758 . 1 1 157 157 GLU HG3 H 1 2.298 0.006 . 2 . . . . . 157 GLU HG3 . 27146 1 1759 . 1 1 157 157 GLU C C 13 178.152 0.063 . 1 . . . . . 157 GLU C . 27146 1 1760 . 1 1 158 158 PHE N N 15 118.093 0.086 . 1 . . . . . 158 PHE N . 27146 1 1761 . 1 1 158 158 PHE H H 1 9.177 0.005 . 1 . . . . . 158 PHE HN . 27146 1 1762 . 1 1 158 158 PHE CA C 13 59.596 0.079 . 1 . . . . . 158 PHE CA . 27146 1 1763 . 1 1 158 158 PHE HA H 1 4.301 0.010 . 1 . . . . . 158 PHE HA . 27146 1 1764 . 1 1 158 158 PHE CB C 13 40.490 0.139 . 1 . . . . . 158 PHE CB . 27146 1 1765 . 1 1 158 158 PHE HB2 H 1 3.044 0.010 . 2 . . . . . 158 PHE HB2 . 27146 1 1766 . 1 1 158 158 PHE HB3 H 1 2.447 0.011 . 2 . . . . . 158 PHE HB3 . 27146 1 1767 . 1 1 158 158 PHE HD1 H 1 7.223 0.008 . 3 . . . . . 158 PHE HD1 . 27146 1 1768 . 1 1 158 158 PHE HD2 H 1 7.223 0.008 . 3 . . . . . 158 PHE HD2 . 27146 1 1769 . 1 1 158 158 PHE HE1 H 1 7.339 0.001 . 3 . . . . . 158 PHE HE1 . 27146 1 1770 . 1 1 158 158 PHE HE2 H 1 7.339 0.001 . 3 . . . . . 158 PHE HE2 . 27146 1 1771 . 1 1 158 158 PHE C C 13 178.079 0.088 . 1 . . . . . 158 PHE C . 27146 1 1772 . 1 1 159 159 LEU N N 15 121.161 0.120 . 1 . . . . . 159 LEU N . 27146 1 1773 . 1 1 159 159 LEU H H 1 8.780 0.008 . 1 . . . . . 159 LEU HN . 27146 1 1774 . 1 1 159 159 LEU CA C 13 56.021 0.100 . 1 . . . . . 159 LEU CA . 27146 1 1775 . 1 1 159 159 LEU HA H 1 3.364 0.013 . 1 . . . . . 159 LEU HA . 27146 1 1776 . 1 1 159 159 LEU CB C 13 43.152 0.187 . 1 . . . . . 159 LEU CB . 27146 1 1777 . 1 1 159 159 LEU HB2 H 1 0.910 0.016 . 2 . . . . . 159 LEU HB2 . 27146 1 1778 . 1 1 159 159 LEU HB3 H 1 0.805 0.050 . 2 . . . . . 159 LEU HB3 . 27146 1 1779 . 1 1 159 159 LEU CG C 13 26.537 0.097 . 1 . . . . . 159 LEU CG . 27146 1 1780 . 1 1 159 159 LEU HG H 1 1.394 0.011 . 1 . . . . . 159 LEU HG . 27146 1 1781 . 1 1 159 159 LEU CD1 C 13 27.399 0.019 . 2 . . . . . 159 LEU CD1 . 27146 1 1782 . 1 1 159 159 LEU HD11 H 1 0.642 0.005 . 2 . . . . . 159 LEU HD11 . 27146 1 1783 . 1 1 159 159 LEU HD12 H 1 0.642 0.005 . 2 . . . . . 159 LEU HD12 . 27146 1 1784 . 1 1 159 159 LEU HD13 H 1 0.642 0.005 . 2 . . . . . 159 LEU HD13 . 27146 1 1785 . 1 1 159 159 LEU CD2 C 13 23.052 0.014 . 2 . . . . . 159 LEU CD2 . 27146 1 1786 . 1 1 159 159 LEU HD21 H 1 0.368 0.009 . 2 . . . . . 159 LEU HD21 . 27146 1 1787 . 1 1 159 159 LEU HD22 H 1 0.368 0.009 . 2 . . . . . 159 LEU HD22 . 27146 1 1788 . 1 1 159 159 LEU HD23 H 1 0.368 0.009 . 2 . . . . . 159 LEU HD23 . 27146 1 1789 . 1 1 159 159 LEU C C 13 175.556 0.001 . 1 . . . . . 159 LEU C . 27146 1 1790 . 1 1 160 160 TYR N N 15 109.048 0.091 . 1 . . . . . 160 TYR N . 27146 1 1791 . 1 1 160 160 TYR H H 1 5.419 0.006 . 1 . . . . . 160 TYR HN . 27146 1 1792 . 1 1 160 160 TYR CA C 13 55.550 0.071 . 1 . . . . . 160 TYR CA . 27146 1 1793 . 1 1 160 160 TYR HA H 1 3.042 0.009 . 1 . . . . . 160 TYR HA . 27146 1 1794 . 1 1 160 160 TYR CB C 13 36.978 0.127 . 1 . . . . . 160 TYR CB . 27146 1 1795 . 1 1 160 160 TYR HB2 H 1 2.870 0.024 . 2 . . . . . 160 TYR HB2 . 27146 1 1796 . 1 1 160 160 TYR HB3 H 1 2.191 0.011 . 2 . . . . . 160 TYR HB3 . 27146 1 1797 . 1 1 160 160 TYR HD1 H 1 7.226 0.013 . 3 . . . . . 160 TYR HD1 . 27146 1 1798 . 1 1 160 160 TYR HD2 H 1 7.226 0.013 . 3 . . . . . 160 TYR HD2 . 27146 1 1799 . 1 1 160 160 TYR C C 13 174.112 0.063 . 1 . . . . . 160 TYR C . 27146 1 1800 . 1 1 161 161 GLY N N 15 100.222 0.099 . 1 . . . . . 161 GLY N . 27146 1 1801 . 1 1 161 161 GLY H H 1 6.820 0.006 . 1 . . . . . 161 GLY HN . 27146 1 1802 . 1 1 161 161 GLY CA C 13 44.666 0.034 . 1 . . . . . 161 GLY CA . 27146 1 1803 . 1 1 161 161 GLY HA2 H 1 4.437 0.016 . 2 . . . . . 161 GLY HA2 . 27146 1 1804 . 1 1 161 161 GLY HA3 H 1 3.805 0.013 . 2 . . . . . 161 GLY HA3 . 27146 1 1805 . 1 1 161 161 GLY C C 13 175.384 0.001 . 1 . . . . . 161 GLY C . 27146 1 1806 . 1 1 162 162 THR N N 15 113.380 0.066 . 1 . . . . . 162 THR N . 27146 1 1807 . 1 1 162 162 THR H H 1 7.674 0.004 . 1 . . . . . 162 THR HN . 27146 1 1808 . 1 1 162 162 THR CA C 13 59.840 0.051 . 1 . . . . . 162 THR CA . 27146 1 1809 . 1 1 162 162 THR HA H 1 4.727 0.014 . 1 . . . . . 162 THR HA . 27146 1 1810 . 1 1 162 162 THR CB C 13 69.406 0.057 . 1 . . . . . 162 THR CB . 27146 1 1811 . 1 1 162 162 THR HB H 1 4.520 0.007 . 1 . . . . . 162 THR HB . 27146 1 1812 . 1 1 162 162 THR CG2 C 13 22.473 0.038 . 1 . . . . . 162 THR CG2 . 27146 1 1813 . 1 1 162 162 THR C C 13 173.688 0.001 . 1 . . . . . 162 THR C . 27146 1 1814 . 1 1 163 163 PRO CA C 13 65.974 0.031 . 1 . . . . . 163 PRO CA . 27146 1 1815 . 1 1 163 163 PRO HA H 1 4.219 0.009 . 1 . . . . . 163 PRO HA . 27146 1 1816 . 1 1 163 163 PRO CB C 13 31.949 0.001 . 1 . . . . . 163 PRO CB . 27146 1 1817 . 1 1 163 163 PRO C C 13 179.962 0.063 . 1 . . . . . 163 PRO C . 27146 1 1818 . 1 1 164 164 ARG N N 15 116.095 0.086 . 1 . . . . . 164 ARG N . 27146 1 1819 . 1 1 164 164 ARG H H 1 8.536 0.006 . 1 . . . . . 164 ARG HN . 27146 1 1820 . 1 1 164 164 ARG CA C 13 59.147 0.018 . 1 . . . . . 164 ARG CA . 27146 1 1821 . 1 1 164 164 ARG HA H 1 4.052 0.018 . 1 . . . . . 164 ARG HA . 27146 1 1822 . 1 1 164 164 ARG CB C 13 29.853 0.001 . 1 . . . . . 164 ARG CB . 27146 1 1823 . 1 1 164 164 ARG HB2 H 1 1.931 0.004 . 2 . . . . . 164 ARG HB2 . 27146 1 1824 . 1 1 164 164 ARG HB3 H 1 1.737 0.005 . 2 . . . . . 164 ARG HB3 . 27146 1 1825 . 1 1 164 164 ARG HG2 H 1 1.394 0.003 . 2 . . . . . 164 ARG HG2 . 27146 1 1826 . 1 1 164 164 ARG HG3 H 1 0.926 0.022 . 2 . . . . . 164 ARG HG3 . 27146 1 1827 . 1 1 164 164 ARG CD C 13 43.292 0.031 . 1 . . . . . 164 ARG CD . 27146 1 1828 . 1 1 164 164 ARG HD2 H 1 3.093 0.009 . 2 . . . . . 164 ARG HD2 . 27146 1 1829 . 1 1 164 164 ARG HD3 H 1 3.093 0.009 . 2 . . . . . 164 ARG HD3 . 27146 1 1830 . 1 1 164 164 ARG NE N 15 84.642 0.099 . 1 . . . . . 164 ARG NE . 27146 1 1831 . 1 1 164 164 ARG HE H 1 7.493 0.006 . 1 . . . . . 164 ARG HE . 27146 1 1832 . 1 1 164 164 ARG CZ C 13 159.489 0.001 . 1 . . . . . 164 ARG CZ . 27146 1 1833 . 1 1 164 164 ARG C C 13 178.520 0.063 . 1 . . . . . 164 ARG C . 27146 1 1834 . 1 1 165 165 TYR N N 15 121.484 0.128 . 1 . . . . . 165 TYR N . 27146 1 1835 . 1 1 165 165 TYR H H 1 7.757 0.008 . 1 . . . . . 165 TYR HN . 27146 1 1836 . 1 1 165 165 TYR CA C 13 62.469 0.105 . 1 . . . . . 165 TYR CA . 27146 1 1837 . 1 1 165 165 TYR HA H 1 4.036 0.009 . 1 . . . . . 165 TYR HA . 27146 1 1838 . 1 1 165 165 TYR CB C 13 39.804 0.049 . 1 . . . . . 165 TYR CB . 27146 1 1839 . 1 1 165 165 TYR HB2 H 1 3.329 0.013 . 2 . . . . . 165 TYR HB2 . 27146 1 1840 . 1 1 165 165 TYR HB3 H 1 2.756 0.005 . 2 . . . . . 165 TYR HB3 . 27146 1 1841 . 1 1 165 165 TYR HD1 H 1 7.106 0.003 . 3 . . . . . 165 TYR HD1 . 27146 1 1842 . 1 1 165 165 TYR HD2 H 1 7.106 0.003 . 3 . . . . . 165 TYR HD2 . 27146 1 1843 . 1 1 165 165 TYR HE1 H 1 6.541 0.002 . 3 . . . . . 165 TYR HE1 . 27146 1 1844 . 1 1 165 165 TYR HE2 H 1 6.541 0.002 . 3 . . . . . 165 TYR HE2 . 27146 1 1845 . 1 1 165 165 TYR C C 13 177.729 0.063 . 1 . . . . . 165 TYR C . 27146 1 1846 . 1 1 166 166 ILE N N 15 120.312 0.117 . 1 . . . . . 166 ILE N . 27146 1 1847 . 1 1 166 166 ILE H H 1 8.504 0.008 . 1 . . . . . 166 ILE HN . 27146 1 1848 . 1 1 166 166 ILE CA C 13 65.318 0.101 . 1 . . . . . 166 ILE CA . 27146 1 1849 . 1 1 166 166 ILE HA H 1 3.630 0.015 . 1 . . . . . 166 ILE HA . 27146 1 1850 . 1 1 166 166 ILE CB C 13 38.764 0.120 . 1 . . . . . 166 ILE CB . 27146 1 1851 . 1 1 166 166 ILE HB H 1 1.820 0.013 . 1 . . . . . 166 ILE HB . 27146 1 1852 . 1 1 166 166 ILE CG1 C 13 30.351 0.048 . 1 . . . . . 166 ILE CG1 . 27146 1 1853 . 1 1 166 166 ILE HG12 H 1 1.200 0.009 . 2 . . . . . 166 ILE HG12 . 27146 1 1854 . 1 1 166 166 ILE HG13 H 1 2.016 0.016 . 2 . . . . . 166 ILE HG13 . 27146 1 1855 . 1 1 166 166 ILE CG2 C 13 17.529 0.042 . 1 . . . . . 166 ILE CG2 . 27146 1 1856 . 1 1 166 166 ILE HG21 H 1 0.939 0.009 . 1 . . . . . 166 ILE HG21 . 27146 1 1857 . 1 1 166 166 ILE HG22 H 1 0.939 0.009 . 1 . . . . . 166 ILE HG22 . 27146 1 1858 . 1 1 166 166 ILE HG23 H 1 0.939 0.009 . 1 . . . . . 166 ILE HG23 . 27146 1 1859 . 1 1 166 166 ILE CD1 C 13 13.897 0.037 . 1 . . . . . 166 ILE CD1 . 27146 1 1860 . 1 1 166 166 ILE HD11 H 1 0.849 0.007 . 1 . . . . . 166 ILE HD11 . 27146 1 1861 . 1 1 166 166 ILE HD12 H 1 0.849 0.007 . 1 . . . . . 166 ILE HD12 . 27146 1 1862 . 1 1 166 166 ILE HD13 H 1 0.849 0.007 . 1 . . . . . 166 ILE HD13 . 27146 1 1863 . 1 1 166 166 ILE C C 13 178.518 0.001 . 1 . . . . . 166 ILE C . 27146 1 1864 . 1 1 167 167 ALA N N 15 119.482 0.102 . 1 . . . . . 167 ALA N . 27146 1 1865 . 1 1 167 167 ALA H H 1 7.992 0.006 . 1 . . . . . 167 ALA HN . 27146 1 1866 . 1 1 167 167 ALA CA C 13 54.462 0.036 . 1 . . . . . 167 ALA CA . 27146 1 1867 . 1 1 167 167 ALA HA H 1 4.065 0.014 . 1 . . . . . 167 ALA HA . 27146 1 1868 . 1 1 167 167 ALA CB C 13 18.544 0.069 . 1 . . . . . 167 ALA CB . 27146 1 1869 . 1 1 167 167 ALA HB1 H 1 1.372 0.006 . 1 . . . . . 167 ALA HB1 . 27146 1 1870 . 1 1 167 167 ALA HB2 H 1 1.372 0.006 . 1 . . . . . 167 ALA HB2 . 27146 1 1871 . 1 1 167 167 ALA HB3 H 1 1.372 0.006 . 1 . . . . . 167 ALA HB3 . 27146 1 1872 . 1 1 167 167 ALA C C 13 178.513 0.063 . 1 . . . . . 167 ALA C . 27146 1 1873 . 1 1 168 168 ARG N N 15 115.635 0.047 . 1 . . . . . 168 ARG N . 27146 1 1874 . 1 1 168 168 ARG H H 1 7.209 0.007 . 1 . . . . . 168 ARG HN . 27146 1 1875 . 1 1 168 168 ARG CA C 13 57.331 0.041 . 1 . . . . . 168 ARG CA . 27146 1 1876 . 1 1 168 168 ARG HA H 1 3.940 0.012 . 1 . . . . . 168 ARG HA . 27146 1 1877 . 1 1 168 168 ARG CB C 13 30.267 0.100 . 1 . . . . . 168 ARG CB . 27146 1 1878 . 1 1 168 168 ARG HB2 H 1 1.530 0.026 . 2 . . . . . 168 ARG HB2 . 27146 1 1879 . 1 1 168 168 ARG HB3 H 1 1.087 0.011 . 2 . . . . . 168 ARG HB3 . 27146 1 1880 . 1 1 168 168 ARG CG C 13 26.015 0.108 . 1 . . . . . 168 ARG CG . 27146 1 1881 . 1 1 168 168 ARG HG2 H 1 0.450 0.021 . 2 . . . . . 168 ARG HG2 . 27146 1 1882 . 1 1 168 168 ARG HG3 H 1 0.252 0.015 . 2 . . . . . 168 ARG HG3 . 27146 1 1883 . 1 1 168 168 ARG CD C 13 42.731 0.056 . 1 . . . . . 168 ARG CD . 27146 1 1884 . 1 1 168 168 ARG HD2 H 1 2.719 0.008 . 2 . . . . . 168 ARG HD2 . 27146 1 1885 . 1 1 168 168 ARG HD3 H 1 2.719 0.008 . 2 . . . . . 168 ARG HD3 . 27146 1 1886 . 1 1 168 168 ARG NE N 15 85.244 0.040 . 1 . . . . . 168 ARG NE . 27146 1 1887 . 1 1 168 168 ARG HE H 1 6.756 0.006 . 1 . . . . . 168 ARG HE . 27146 1 1888 . 1 1 168 168 ARG CZ C 13 159.445 0.001 . 1 . . . . . 168 ARG CZ . 27146 1 1889 . 1 1 168 168 ARG C C 13 177.372 0.001 . 1 . . . . . 168 ARG C . 27146 1 1890 . 1 1 169 169 PHE N N 15 113.207 0.053 . 1 . . . . . 169 PHE N . 27146 1 1891 . 1 1 169 169 PHE H H 1 7.980 0.007 . 1 . . . . . 169 PHE HN . 27146 1 1892 . 1 1 169 169 PHE CA C 13 59.476 0.090 . 1 . . . . . 169 PHE CA . 27146 1 1893 . 1 1 169 169 PHE HA H 1 4.648 0.008 . 1 . . . . . 169 PHE HA . 27146 1 1894 . 1 1 169 169 PHE CB C 13 40.839 0.049 . 1 . . . . . 169 PHE CB . 27146 1 1895 . 1 1 169 169 PHE HB2 H 1 3.090 0.009 . 2 . . . . . 169 PHE HB2 . 27146 1 1896 . 1 1 169 169 PHE HB3 H 1 2.223 0.008 . 2 . . . . . 169 PHE HB3 . 27146 1 1897 . 1 1 169 169 PHE HD1 H 1 6.528 0.015 . 3 . . . . . 169 PHE HD1 . 27146 1 1898 . 1 1 169 169 PHE HD2 H 1 6.528 0.015 . 3 . . . . . 169 PHE HD2 . 27146 1 1899 . 1 1 169 169 PHE C C 13 175.825 0.063 . 1 . . . . . 169 PHE C . 27146 1 1900 . 1 1 170 170 ILE N N 15 118.190 0.052 . 1 . . . . . 170 ILE N . 27146 1 1901 . 1 1 170 170 ILE H H 1 7.753 0.004 . 1 . . . . . 170 ILE HN . 27146 1 1902 . 1 1 170 170 ILE CA C 13 61.047 0.038 . 1 . . . . . 170 ILE CA . 27146 1 1903 . 1 1 170 170 ILE HA H 1 4.299 0.008 . 1 . . . . . 170 ILE HA . 27146 1 1904 . 1 1 170 170 ILE CB C 13 37.841 0.181 . 1 . . . . . 170 ILE CB . 27146 1 1905 . 1 1 170 170 ILE HB H 1 2.282 0.009 . 1 . . . . . 170 ILE HB . 27146 1 1906 . 1 1 170 170 ILE HG12 H 1 1.614 0.004 . 2 . . . . . 170 ILE HG12 . 27146 1 1907 . 1 1 170 170 ILE HG13 H 1 1.453 0.004 . 2 . . . . . 170 ILE HG13 . 27146 1 1908 . 1 1 170 170 ILE CG2 C 13 17.440 0.061 . 1 . . . . . 170 ILE CG2 . 27146 1 1909 . 1 1 170 170 ILE HG21 H 1 0.851 0.011 . 1 . . . . . 170 ILE HG21 . 27146 1 1910 . 1 1 170 170 ILE HG22 H 1 0.851 0.011 . 1 . . . . . 170 ILE HG22 . 27146 1 1911 . 1 1 170 170 ILE HG23 H 1 0.851 0.011 . 1 . . . . . 170 ILE HG23 . 27146 1 1912 . 1 1 170 170 ILE CD1 C 13 11.607 0.042 . 1 . . . . . 170 ILE CD1 . 27146 1 1913 . 1 1 170 170 ILE HD11 H 1 0.908 0.008 . 1 . . . . . 170 ILE HD11 . 27146 1 1914 . 1 1 170 170 ILE HD12 H 1 0.908 0.008 . 1 . . . . . 170 ILE HD12 . 27146 1 1915 . 1 1 170 170 ILE HD13 H 1 0.908 0.008 . 1 . . . . . 170 ILE HD13 . 27146 1 1916 . 1 1 170 170 ILE C C 13 176.414 0.001 . 1 . . . . . 170 ILE C . 27146 1 1917 . 1 1 171 171 GLU N N 15 121.756 0.076 . 1 . . . . . 171 GLU N . 27146 1 1918 . 1 1 171 171 GLU H H 1 7.958 0.009 . 1 . . . . . 171 GLU HN . 27146 1 1919 . 1 1 171 171 GLU CA C 13 56.825 0.143 . 1 . . . . . 171 GLU CA . 27146 1 1920 . 1 1 171 171 GLU HA H 1 4.056 0.016 . 1 . . . . . 171 GLU HA . 27146 1 1921 . 1 1 171 171 GLU CB C 13 30.072 0.211 . 1 . . . . . 171 GLU CB . 27146 1 1922 . 1 1 171 171 GLU HB2 H 1 1.840 0.109 . 2 . . . . . 171 GLU HB2 . 27146 1 1923 . 1 1 171 171 GLU HB3 H 1 1.738 0.021 . 2 . . . . . 171 GLU HB3 . 27146 1 1924 . 1 1 171 171 GLU CG C 13 36.125 0.106 . 1 . . . . . 171 GLU CG . 27146 1 1925 . 1 1 171 171 GLU HG2 H 1 1.963 0.068 . 2 . . . . . 171 GLU HG2 . 27146 1 1926 . 1 1 171 171 GLU HG3 H 1 2.027 0.053 . 2 . . . . . 171 GLU HG3 . 27146 1 1927 . 1 1 171 171 GLU C C 13 176.104 0.063 . 1 . . . . . 171 GLU C . 27146 1 1928 . 1 1 172 172 GLN N N 15 118.934 0.068 . 1 . . . . . 172 GLN N . 27146 1 1929 . 1 1 172 172 GLN H H 1 7.781 0.009 . 1 . . . . . 172 GLN HN . 27146 1 1930 . 1 1 172 172 GLN CA C 13 55.583 0.033 . 1 . . . . . 172 GLN CA . 27146 1 1931 . 1 1 172 172 GLN HA H 1 4.165 0.010 . 1 . . . . . 172 GLN HA . 27146 1 1932 . 1 1 172 172 GLN CB C 13 29.563 0.087 . 1 . . . . . 172 GLN CB . 27146 1 1933 . 1 1 172 172 GLN HB2 H 1 1.887 0.030 . 2 . . . . . 172 GLN HB2 . 27146 1 1934 . 1 1 172 172 GLN HB3 H 1 1.866 0.031 . 2 . . . . . 172 GLN HB3 . 27146 1 1935 . 1 1 172 172 GLN CG C 13 33.750 0.011 . 1 . . . . . 172 GLN CG . 27146 1 1936 . 1 1 172 172 GLN HG2 H 1 2.109 0.006 . 2 . . . . . 172 GLN HG2 . 27146 1 1937 . 1 1 172 172 GLN HG3 H 1 2.109 0.006 . 2 . . . . . 172 GLN HG3 . 27146 1 1938 . 1 1 172 172 GLN NE2 N 15 112.218 0.001 . 1 . . . . . 172 GLN NE2 . 27146 1 1939 . 1 1 172 172 GLN HE21 H 1 7.364 0.005 . 1 . . . . . 172 GLN HE21 . 27146 1 1940 . 1 1 172 172 GLN HE22 H 1 6.686 0.004 . 1 . . . . . 172 GLN HE22 . 27146 1 1941 . 1 1 172 172 GLN C C 13 175.271 0.001 . 1 . . . . . 172 GLN C . 27146 1 1942 . 1 1 173 173 GLU N N 15 121.308 0.088 . 1 . . . . . 173 GLU N . 27146 1 1943 . 1 1 173 173 GLU H H 1 8.176 0.007 . 1 . . . . . 173 GLU HN . 27146 1 1944 . 1 1 173 173 GLU CA C 13 56.219 0.077 . 1 . . . . . 173 GLU CA . 27146 1 1945 . 1 1 173 173 GLU CB C 13 30.147 0.133 . 1 . . . . . 173 GLU CB . 27146 1 1946 . 1 1 173 173 GLU HB2 H 1 1.732 0.001 . 2 . . . . . 173 GLU HB2 . 27146 1 1947 . 1 1 173 173 GLU HB3 H 1 1.732 0.001 . 2 . . . . . 173 GLU HB3 . 27146 1 1948 . 1 1 173 173 GLU C C 13 177.093 0.001 . 1 . . . . . 173 GLU C . 27146 1 1949 . 1 1 174 174 PHE N N 15 121.532 0.001 . 1 . . . . . 174 PHE N . 27146 1 1950 . 1 1 174 174 PHE H H 1 8.208 0.017 . 1 . . . . . 174 PHE HN . 27146 1 1951 . 1 1 174 174 PHE CA C 13 57.497 0.059 . 1 . . . . . 174 PHE CA . 27146 1 1952 . 1 1 174 174 PHE HA H 1 4.597 0.007 . 1 . . . . . 174 PHE HA . 27146 1 1953 . 1 1 174 174 PHE CB C 13 39.908 0.075 . 1 . . . . . 174 PHE CB . 27146 1 1954 . 1 1 174 174 PHE HB2 H 1 3.057 0.009 . 2 . . . . . 174 PHE HB2 . 27146 1 1955 . 1 1 174 174 PHE HB3 H 1 2.918 0.011 . 2 . . . . . 174 PHE HB3 . 27146 1 1956 . 1 1 174 174 PHE HD1 H 1 7.154 0.005 . 3 . . . . . 174 PHE HD1 . 27146 1 1957 . 1 1 174 174 PHE HD2 H 1 7.154 0.005 . 3 . . . . . 174 PHE HD2 . 27146 1 1958 . 1 1 174 174 PHE HE1 H 1 7.233 0.004 . 3 . . . . . 174 PHE HE1 . 27146 1 1959 . 1 1 174 174 PHE HE2 H 1 7.233 0.004 . 3 . . . . . 174 PHE HE2 . 27146 1 1960 . 1 1 174 174 PHE C C 13 175.385 0.063 . 1 . . . . . 174 PHE C . 27146 1 1961 . 1 1 175 175 SER N N 15 117.933 0.079 . 1 . . . . . 175 SER N . 27146 1 1962 . 1 1 175 175 SER H H 1 8.124 0.007 . 1 . . . . . 175 SER HN . 27146 1 1963 . 1 1 175 175 SER CA C 13 57.803 0.055 . 1 . . . . . 175 SER CA . 27146 1 1964 . 1 1 175 175 SER HA H 1 4.398 0.007 . 1 . . . . . 175 SER HA . 27146 1 1965 . 1 1 175 175 SER CB C 13 64.186 0.031 . 1 . . . . . 175 SER CB . 27146 1 1966 . 1 1 175 175 SER HB2 H 1 3.750 0.018 . 2 . . . . . 175 SER HB2 . 27146 1 1967 . 1 1 175 175 SER HB3 H 1 3.742 0.015 . 2 . . . . . 175 SER HB3 . 27146 1 1968 . 1 1 175 175 SER C C 13 173.816 0.001 . 1 . . . . . 175 SER C . 27146 1 1969 . 1 1 176 176 ASP N N 15 123.099 0.052 . 1 . . . . . 176 ASP N . 27146 1 1970 . 1 1 176 176 ASP H H 1 8.325 0.005 . 1 . . . . . 176 ASP HN . 27146 1 1971 . 1 1 176 176 ASP CA C 13 54.283 0.044 . 1 . . . . . 176 ASP CA . 27146 1 1972 . 1 1 176 176 ASP HA H 1 4.597 0.006 . 1 . . . . . 176 ASP HA . 27146 1 1973 . 1 1 176 176 ASP CB C 13 41.308 0.070 . 1 . . . . . 176 ASP CB . 27146 1 1974 . 1 1 176 176 ASP HB2 H 1 2.682 0.011 . 2 . . . . . 176 ASP HB2 . 27146 1 1975 . 1 1 176 176 ASP HB3 H 1 2.619 0.026 . 2 . . . . . 176 ASP HB3 . 27146 1 1976 . 1 1 176 176 ASP C C 13 175.931 0.063 . 1 . . . . . 176 ASP C . 27146 1 1977 . 1 1 177 177 GLU N N 15 120.950 0.067 . 1 . . . . . 177 GLU N . 27146 1 1978 . 1 1 177 177 GLU H H 1 8.211 0.007 . 1 . . . . . 177 GLU HN . 27146 1 1979 . 1 1 177 177 GLU CA C 13 56.468 0.042 . 1 . . . . . 177 GLU CA . 27146 1 1980 . 1 1 177 177 GLU HA H 1 4.274 0.009 . 1 . . . . . 177 GLU HA . 27146 1 1981 . 1 1 177 177 GLU CB C 13 30.742 0.068 . 1 . . . . . 177 GLU CB . 27146 1 1982 . 1 1 177 177 GLU HB2 H 1 2.051 0.008 . 2 . . . . . 177 GLU HB2 . 27146 1 1983 . 1 1 177 177 GLU HB3 H 1 1.853 0.015 . 2 . . . . . 177 GLU HB3 . 27146 1 1984 . 1 1 177 177 GLU CG C 13 36.404 0.016 . 1 . . . . . 177 GLU CG . 27146 1 1985 . 1 1 177 177 GLU HG2 H 1 2.233 0.017 . 2 . . . . . 177 GLU HG2 . 27146 1 1986 . 1 1 177 177 GLU HG3 H 1 2.216 0.002 . 2 . . . . . 177 GLU HG3 . 27146 1 1987 . 1 1 177 177 GLU C C 13 175.587 0.001 . 1 . . . . . 177 GLU C . 27146 1 1988 . 1 1 178 178 GLU N N 15 127.112 0.104 . 1 . . . . . 178 GLU N . 27146 1 1989 . 1 1 178 178 GLU H H 1 7.999 0.005 . 1 . . . . . 178 GLU HN . 27146 1 1990 . 1 1 178 178 GLU CA C 13 58.187 0.051 . 1 . . . . . 178 GLU CA . 27146 1 1991 . 1 1 178 178 GLU HA H 1 4.053 0.012 . 1 . . . . . 178 GLU HA . 27146 1 1992 . 1 1 178 178 GLU CB C 13 31.142 0.120 . 1 . . . . . 178 GLU CB . 27146 1 1993 . 1 1 178 178 GLU HB2 H 1 2.004 0.010 . 2 . . . . . 178 GLU HB2 . 27146 1 1994 . 1 1 178 178 GLU HB3 H 1 1.863 0.010 . 2 . . . . . 178 GLU HB3 . 27146 1 1995 . 1 1 178 178 GLU CG C 13 36.814 0.085 . 1 . . . . . 178 GLU CG . 27146 1 1996 . 1 1 178 178 GLU HG2 H 1 2.178 0.009 . 2 . . . . . 178 GLU HG2 . 27146 1 1997 . 1 1 178 178 GLU HG3 H 1 2.178 0.009 . 2 . . . . . 178 GLU HG3 . 27146 1 stop_ save_