data_51382 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51382 _Entry.Title ; Backbone assignment of the Sec14 domain of the RhoGEF Kalirin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-03-30 _Entry.Accession_date 2022-03-30 _Entry.Last_release_date 2022-03-30 _Entry.Original_release_date 2022-03-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _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 Yulia Pustovalova . . . 0000-0003-3024-1764 51382 2 Yunfeng Li . . . . 51382 3 Jeffrey Hoch . C. . . 51382 4 Bing Hao . . . . 51382 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Connecticut Health' . 51382 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51382 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 454 51382 '15N chemical shifts' 149 51382 '1H chemical shifts' 152 51382 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-07-04 . original BMRB . 51382 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID NCBI U88156.1 'rat Kalrn sequence' 51382 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51382 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36609407 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure of the Sec14 domain of Kalirin reveals a distinct class of lipid-binding module in RhoGEFs ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 96 _Citation.Page_last 96 _Citation.Year 2023 _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 Yunfeng Li . . . . 51382 1 2 Yulia Pustovalova . . . . 51382 1 3 Tzanko Doukov . I. . . 51382 1 4 Jeffrey Hoch . C. . . 51382 1 5 Richard Mains . E. . . 51382 1 6 Betty Eipper . A. . . 51382 1 7 Bing Hao . . . . 51382 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'CRAL-TRIO lipid binding domain; Spectrin repeat; NMR; Lysophospholipids; Lysophosphatidylcholine' 51382 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51382 _Assembly.ID 1 _Assembly.Name 'Kalirin Sec14 domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 19000 _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 'Kalirin Sec14 domain' 1 $entity_1 . . yes native no no . . . 51382 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51382 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGGRGSFRNDGLKASDVLPI LKEKVAFVSGGRDKRGGPIL TFPARSNHDRIRQEDLRKLV TYLASVPSEDVCKRGFTVII DMRGSKWDLIKPLLKTLQEA FPAEIHVALIIKPDNFWQKQ KTNFGSSKFIFETSMVSVEG LTKLVDPSQLTEEFDGSLDY NHEEWIELRLSL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -4,GLY -3,GLY -2,GLY -1,ARG 25,GLY 26,SER 27,PHE ...... 190,LEU 191,SER 192,LEU ; _Entity.Polymer_author_seq_details ; The first four residues are from an affinity tag (-4 to -1). The protein sequence starts with the fifth residue in a sequence that has numbers from G25 to L192. There are two mutations in the protein sequence: T66S and N82Y. ; _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 172 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI U88156.1 . Kalrn . . . . . . . . . . . . . . 51382 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -4 GLY . 51382 1 2 -3 GLY . 51382 1 3 -2 GLY . 51382 1 4 -1 ARG . 51382 1 5 25 GLY . 51382 1 6 26 SER . 51382 1 7 27 PHE . 51382 1 8 28 ARG . 51382 1 9 29 ASN . 51382 1 10 30 ASP . 51382 1 11 31 GLY . 51382 1 12 32 LEU . 51382 1 13 33 LYS . 51382 1 14 34 ALA . 51382 1 15 35 SER . 51382 1 16 36 ASP . 51382 1 17 37 VAL . 51382 1 18 38 LEU . 51382 1 19 39 PRO . 51382 1 20 40 ILE . 51382 1 21 41 LEU . 51382 1 22 42 LYS . 51382 1 23 43 GLU . 51382 1 24 44 LYS . 51382 1 25 45 VAL . 51382 1 26 46 ALA . 51382 1 27 47 PHE . 51382 1 28 48 VAL . 51382 1 29 49 SER . 51382 1 30 50 GLY . 51382 1 31 51 GLY . 51382 1 32 52 ARG . 51382 1 33 53 ASP . 51382 1 34 54 LYS . 51382 1 35 55 ARG . 51382 1 36 56 GLY . 51382 1 37 57 GLY . 51382 1 38 58 PRO . 51382 1 39 59 ILE . 51382 1 40 60 LEU . 51382 1 41 61 THR . 51382 1 42 62 PHE . 51382 1 43 63 PRO . 51382 1 44 64 ALA . 51382 1 45 65 ARG . 51382 1 46 66 SER . 51382 1 47 67 ASN . 51382 1 48 68 HIS . 51382 1 49 69 ASP . 51382 1 50 70 ARG . 51382 1 51 71 ILE . 51382 1 52 72 ARG . 51382 1 53 73 GLN . 51382 1 54 74 GLU . 51382 1 55 75 ASP . 51382 1 56 76 LEU . 51382 1 57 77 ARG . 51382 1 58 78 LYS . 51382 1 59 79 LEU . 51382 1 60 80 VAL . 51382 1 61 81 THR . 51382 1 62 82 TYR . 51382 1 63 83 LEU . 51382 1 64 84 ALA . 51382 1 65 85 SER . 51382 1 66 86 VAL . 51382 1 67 87 PRO . 51382 1 68 88 SER . 51382 1 69 89 GLU . 51382 1 70 90 ASP . 51382 1 71 91 VAL . 51382 1 72 92 CYS . 51382 1 73 93 LYS . 51382 1 74 94 ARG . 51382 1 75 95 GLY . 51382 1 76 96 PHE . 51382 1 77 97 THR . 51382 1 78 98 VAL . 51382 1 79 99 ILE . 51382 1 80 100 ILE . 51382 1 81 101 ASP . 51382 1 82 102 MET . 51382 1 83 103 ARG . 51382 1 84 104 GLY . 51382 1 85 105 SER . 51382 1 86 106 LYS . 51382 1 87 107 TRP . 51382 1 88 108 ASP . 51382 1 89 109 LEU . 51382 1 90 110 ILE . 51382 1 91 111 LYS . 51382 1 92 112 PRO . 51382 1 93 113 LEU . 51382 1 94 114 LEU . 51382 1 95 115 LYS . 51382 1 96 116 THR . 51382 1 97 117 LEU . 51382 1 98 118 GLN . 51382 1 99 119 GLU . 51382 1 100 120 ALA . 51382 1 101 121 PHE . 51382 1 102 122 PRO . 51382 1 103 123 ALA . 51382 1 104 124 GLU . 51382 1 105 125 ILE . 51382 1 106 126 HIS . 51382 1 107 127 VAL . 51382 1 108 128 ALA . 51382 1 109 129 LEU . 51382 1 110 130 ILE . 51382 1 111 131 ILE . 51382 1 112 132 LYS . 51382 1 113 133 PRO . 51382 1 114 134 ASP . 51382 1 115 135 ASN . 51382 1 116 136 PHE . 51382 1 117 137 TRP . 51382 1 118 138 GLN . 51382 1 119 139 LYS . 51382 1 120 140 GLN . 51382 1 121 141 LYS . 51382 1 122 142 THR . 51382 1 123 143 ASN . 51382 1 124 144 PHE . 51382 1 125 145 GLY . 51382 1 126 146 SER . 51382 1 127 147 SER . 51382 1 128 148 LYS . 51382 1 129 149 PHE . 51382 1 130 150 ILE . 51382 1 131 151 PHE . 51382 1 132 152 GLU . 51382 1 133 153 THR . 51382 1 134 154 SER . 51382 1 135 155 MET . 51382 1 136 156 VAL . 51382 1 137 157 SER . 51382 1 138 158 VAL . 51382 1 139 159 GLU . 51382 1 140 160 GLY . 51382 1 141 161 LEU . 51382 1 142 162 THR . 51382 1 143 163 LYS . 51382 1 144 164 LEU . 51382 1 145 165 VAL . 51382 1 146 166 ASP . 51382 1 147 167 PRO . 51382 1 148 168 SER . 51382 1 149 169 GLN . 51382 1 150 170 LEU . 51382 1 151 171 THR . 51382 1 152 172 GLU . 51382 1 153 173 GLU . 51382 1 154 174 PHE . 51382 1 155 175 ASP . 51382 1 156 176 GLY . 51382 1 157 177 SER . 51382 1 158 178 LEU . 51382 1 159 179 ASP . 51382 1 160 180 TYR . 51382 1 161 181 ASN . 51382 1 162 182 HIS . 51382 1 163 183 GLU . 51382 1 164 184 GLU . 51382 1 165 185 TRP . 51382 1 166 186 ILE . 51382 1 167 187 GLU . 51382 1 168 188 LEU . 51382 1 169 189 ARG . 51382 1 170 190 LEU . 51382 1 171 191 SER . 51382 1 172 192 LEU . 51382 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 51382 1 . GLY 2 2 51382 1 . GLY 3 3 51382 1 . ARG 4 4 51382 1 . GLY 5 5 51382 1 . SER 6 6 51382 1 . PHE 7 7 51382 1 . ARG 8 8 51382 1 . ASN 9 9 51382 1 . ASP 10 10 51382 1 . GLY 11 11 51382 1 . LEU 12 12 51382 1 . LYS 13 13 51382 1 . ALA 14 14 51382 1 . SER 15 15 51382 1 . ASP 16 16 51382 1 . VAL 17 17 51382 1 . LEU 18 18 51382 1 . PRO 19 19 51382 1 . ILE 20 20 51382 1 . LEU 21 21 51382 1 . LYS 22 22 51382 1 . GLU 23 23 51382 1 . LYS 24 24 51382 1 . VAL 25 25 51382 1 . ALA 26 26 51382 1 . PHE 27 27 51382 1 . VAL 28 28 51382 1 . SER 29 29 51382 1 . GLY 30 30 51382 1 . GLY 31 31 51382 1 . ARG 32 32 51382 1 . ASP 33 33 51382 1 . LYS 34 34 51382 1 . ARG 35 35 51382 1 . GLY 36 36 51382 1 . GLY 37 37 51382 1 . PRO 38 38 51382 1 . ILE 39 39 51382 1 . LEU 40 40 51382 1 . THR 41 41 51382 1 . PHE 42 42 51382 1 . PRO 43 43 51382 1 . ALA 44 44 51382 1 . ARG 45 45 51382 1 . SER 46 46 51382 1 . ASN 47 47 51382 1 . HIS 48 48 51382 1 . ASP 49 49 51382 1 . ARG 50 50 51382 1 . ILE 51 51 51382 1 . ARG 52 52 51382 1 . GLN 53 53 51382 1 . GLU 54 54 51382 1 . ASP 55 55 51382 1 . LEU 56 56 51382 1 . ARG 57 57 51382 1 . LYS 58 58 51382 1 . LEU 59 59 51382 1 . VAL 60 60 51382 1 . THR 61 61 51382 1 . TYR 62 62 51382 1 . LEU 63 63 51382 1 . ALA 64 64 51382 1 . SER 65 65 51382 1 . VAL 66 66 51382 1 . PRO 67 67 51382 1 . SER 68 68 51382 1 . GLU 69 69 51382 1 . ASP 70 70 51382 1 . VAL 71 71 51382 1 . CYS 72 72 51382 1 . LYS 73 73 51382 1 . ARG 74 74 51382 1 . GLY 75 75 51382 1 . PHE 76 76 51382 1 . THR 77 77 51382 1 . VAL 78 78 51382 1 . ILE 79 79 51382 1 . ILE 80 80 51382 1 . ASP 81 81 51382 1 . MET 82 82 51382 1 . ARG 83 83 51382 1 . GLY 84 84 51382 1 . SER 85 85 51382 1 . LYS 86 86 51382 1 . TRP 87 87 51382 1 . ASP 88 88 51382 1 . LEU 89 89 51382 1 . ILE 90 90 51382 1 . LYS 91 91 51382 1 . PRO 92 92 51382 1 . LEU 93 93 51382 1 . LEU 94 94 51382 1 . LYS 95 95 51382 1 . THR 96 96 51382 1 . LEU 97 97 51382 1 . GLN 98 98 51382 1 . GLU 99 99 51382 1 . ALA 100 100 51382 1 . PHE 101 101 51382 1 . PRO 102 102 51382 1 . ALA 103 103 51382 1 . GLU 104 104 51382 1 . ILE 105 105 51382 1 . HIS 106 106 51382 1 . VAL 107 107 51382 1 . ALA 108 108 51382 1 . LEU 109 109 51382 1 . ILE 110 110 51382 1 . ILE 111 111 51382 1 . LYS 112 112 51382 1 . PRO 113 113 51382 1 . ASP 114 114 51382 1 . ASN 115 115 51382 1 . PHE 116 116 51382 1 . TRP 117 117 51382 1 . GLN 118 118 51382 1 . LYS 119 119 51382 1 . GLN 120 120 51382 1 . LYS 121 121 51382 1 . THR 122 122 51382 1 . ASN 123 123 51382 1 . PHE 124 124 51382 1 . GLY 125 125 51382 1 . SER 126 126 51382 1 . SER 127 127 51382 1 . LYS 128 128 51382 1 . PHE 129 129 51382 1 . ILE 130 130 51382 1 . PHE 131 131 51382 1 . GLU 132 132 51382 1 . THR 133 133 51382 1 . SER 134 134 51382 1 . MET 135 135 51382 1 . VAL 136 136 51382 1 . SER 137 137 51382 1 . VAL 138 138 51382 1 . GLU 139 139 51382 1 . GLY 140 140 51382 1 . LEU 141 141 51382 1 . THR 142 142 51382 1 . LYS 143 143 51382 1 . LEU 144 144 51382 1 . VAL 145 145 51382 1 . ASP 146 146 51382 1 . PRO 147 147 51382 1 . SER 148 148 51382 1 . GLN 149 149 51382 1 . LEU 150 150 51382 1 . THR 151 151 51382 1 . GLU 152 152 51382 1 . GLU 153 153 51382 1 . PHE 154 154 51382 1 . ASP 155 155 51382 1 . GLY 156 156 51382 1 . SER 157 157 51382 1 . LEU 158 158 51382 1 . ASP 159 159 51382 1 . TYR 160 160 51382 1 . ASN 161 161 51382 1 . HIS 162 162 51382 1 . GLU 163 163 51382 1 . GLU 164 164 51382 1 . TRP 165 165 51382 1 . ILE 166 166 51382 1 . GLU 167 167 51382 1 . LEU 168 168 51382 1 . ARG 169 169 51382 1 . LEU 170 170 51382 1 . SER 171 171 51382 1 . LEU 172 172 51382 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51382 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . Kalrn . 51382 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51382 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET15b . . . 51382 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51382 _Sample.ID 1 _Sample.Name assignment _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'Kalirin Sec14 domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 51382 1 2 'Na/K phosphate buffer pH 7.2' 'natural abundance' . . . . . . 20 . . mM . . . . 51382 1 3 'sodium chloride' 'natural abundance' . . . . . . 120 . . mM . . . . 51382 1 4 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 51382 1 5 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 51382 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 51382 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51382 _Sample_condition_list.ID 1 _Sample_condition_list.Name assignment _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' 140 . mM 51382 1 pH 7.2 . pH 51382 1 pressure 1 . atm 51382 1 temperature 298 . K 51382 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51382 _Software.ID 1 _Software.Type . _Software.Name VNMRj _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51382 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51382 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51382 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51382 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51382 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51382 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51382 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51382 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51382 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51382 1 2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51382 1 3 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51382 1 4 '3D HN(CO)CACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51382 1 5 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51382 1 6 '3D 1H-15N NOESY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51382 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51382 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'water indirect' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 na na . . . . ppm 0 na indirect . . . . . . 51382 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 51382 1 N 15 na na . . . . ppm 0 na indirect . . . . . . 51382 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51382 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name backbone _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51382 1 2 '3D HNCO' . . . 51382 1 3 '3D HNCACB' . . . 51382 1 4 '3D HN(CO)CACB' . . . 51382 1 5 '3D HN(CA)CO' . . . 51382 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51382 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 4 4 ARG H H 1 8.210 0.000 . . . . . . . -1 ARG H . 51382 1 2 . 1 . 1 4 4 ARG C C 13 177.325 0.000 . . . . . . . -1 ARG C . 51382 1 3 . 1 . 1 4 4 ARG CA C 13 56.540 0.000 . . . . . . . -1 ARG CA . 51382 1 4 . 1 . 1 4 4 ARG CB C 13 30.851 0.000 . . . . . . . -1 ARG CB . 51382 1 5 . 1 . 1 4 4 ARG N N 15 121.123 0.000 . . . . . . . -1 ARG N . 51382 1 6 . 1 . 1 5 5 GLY H H 1 8.335 0.000 . . . . . . . 25 GLY H . 51382 1 7 . 1 . 1 5 5 GLY C C 13 174.403 0.000 . . . . . . . 25 GLY C . 51382 1 8 . 1 . 1 5 5 GLY CA C 13 45.395 0.000 . . . . . . . 25 GLY CA . 51382 1 9 . 1 . 1 5 5 GLY N N 15 110.474 0.000 . . . . . . . 25 GLY N . 51382 1 10 . 1 . 1 6 6 SER H H 1 7.937 0.000 . . . . . . . 26 SER H . 51382 1 11 . 1 . 1 6 6 SER C C 13 174.496 0.000 . . . . . . . 26 SER C . 51382 1 12 . 1 . 1 6 6 SER CA C 13 58.407 0.000 . . . . . . . 26 SER CA . 51382 1 13 . 1 . 1 6 6 SER CB C 13 63.959 0.000 . . . . . . . 26 SER CB . 51382 1 14 . 1 . 1 6 6 SER N N 15 115.921 0.000 . . . . . . . 26 SER N . 51382 1 15 . 1 . 1 7 7 PHE H H 1 8.040 0.000 . . . . . . . 27 PHE H . 51382 1 16 . 1 . 1 7 7 PHE C C 13 175.795 0.000 . . . . . . . 27 PHE C . 51382 1 17 . 1 . 1 7 7 PHE CA C 13 57.752 0.000 . . . . . . . 27 PHE CA . 51382 1 18 . 1 . 1 7 7 PHE CB C 13 39.568 0.000 . . . . . . . 27 PHE CB . 51382 1 19 . 1 . 1 7 7 PHE N N 15 122.349 0.000 . . . . . . . 27 PHE N . 51382 1 20 . 1 . 1 8 8 ARG H H 1 7.994 0.000 . . . . . . . 28 ARG H . 51382 1 21 . 1 . 1 8 8 ARG C C 13 176.058 0.000 . . . . . . . 28 ARG C . 51382 1 22 . 1 . 1 8 8 ARG CA C 13 56.309 0.000 . . . . . . . 28 ARG CA . 51382 1 23 . 1 . 1 8 8 ARG CB C 13 31.082 0.000 . . . . . . . 28 ARG CB . 51382 1 24 . 1 . 1 8 8 ARG N N 15 122.705 0.000 . . . . . . . 28 ARG N . 51382 1 25 . 1 . 1 9 9 ASN H H 1 8.242 0.000 . . . . . . . 29 ASN H . 51382 1 26 . 1 . 1 9 9 ASN C C 13 175.130 0.000 . . . . . . . 29 ASN C . 51382 1 27 . 1 . 1 9 9 ASN CA C 13 53.337 0.000 . . . . . . . 29 ASN CA . 51382 1 28 . 1 . 1 9 9 ASN CB C 13 39.117 0.000 . . . . . . . 29 ASN CB . 51382 1 29 . 1 . 1 9 9 ASN N N 15 120.300 0.000 . . . . . . . 29 ASN N . 51382 1 30 . 1 . 1 10 10 ASP H H 1 8.125 0.000 . . . . . . . 30 ASP H . 51382 1 31 . 1 . 1 10 10 ASP C C 13 176.815 0.000 . . . . . . . 30 ASP C . 51382 1 32 . 1 . 1 10 10 ASP CA C 13 54.519 0.000 . . . . . . . 30 ASP CA . 51382 1 33 . 1 . 1 10 10 ASP CB C 13 41.184 0.000 . . . . . . . 30 ASP CB . 51382 1 34 . 1 . 1 10 10 ASP N N 15 121.062 0.000 . . . . . . . 30 ASP N . 51382 1 35 . 1 . 1 11 11 GLY H H 1 8.066 0.000 . . . . . . . 31 GLY H . 51382 1 36 . 1 . 1 11 11 GLY C C 13 174.388 0.000 . . . . . . . 31 GLY C . 51382 1 37 . 1 . 1 11 11 GLY CA C 13 45.511 0.000 . . . . . . . 31 GLY CA . 51382 1 38 . 1 . 1 11 11 GLY N N 15 108.698 0.000 . . . . . . . 31 GLY N . 51382 1 39 . 1 . 1 12 12 LEU H H 1 7.930 0.000 . . . . . . . 32 LEU H . 51382 1 40 . 1 . 1 12 12 LEU C C 13 176.892 0.000 . . . . . . . 32 LEU C . 51382 1 41 . 1 . 1 12 12 LEU CA C 13 55.443 0.000 . . . . . . . 32 LEU CA . 51382 1 42 . 1 . 1 12 12 LEU CB C 13 44.013 0.000 . . . . . . . 32 LEU CB . 51382 1 43 . 1 . 1 12 12 LEU N N 15 121.687 0.000 . . . . . . . 32 LEU N . 51382 1 44 . 1 . 1 13 13 LYS H H 1 8.953 0.000 . . . . . . . 33 LYS H . 51382 1 45 . 1 . 1 13 13 LYS C C 13 177.603 0.000 . . . . . . . 33 LYS C . 51382 1 46 . 1 . 1 13 13 LYS CA C 13 54.577 0.000 . . . . . . . 33 LYS CA . 51382 1 47 . 1 . 1 13 13 LYS CB C 13 34.776 0.000 . . . . . . . 33 LYS CB . 51382 1 48 . 1 . 1 13 13 LYS N N 15 122.791 0.000 . . . . . . . 33 LYS N . 51382 1 49 . 1 . 1 14 14 ALA H H 1 7.977 0.000 . . . . . . . 34 ALA H . 51382 1 50 . 1 . 1 14 14 ALA HB1 H 1 1.061 0.000 . . . . . . . 34 ALA HB . 51382 1 51 . 1 . 1 14 14 ALA HB2 H 1 1.061 0.000 . . . . . . . 34 ALA HB . 51382 1 52 . 1 . 1 14 14 ALA HB3 H 1 1.061 0.000 . . . . . . . 34 ALA HB . 51382 1 53 . 1 . 1 14 14 ALA C C 13 179.366 0.000 . . . . . . . 34 ALA C . 51382 1 54 . 1 . 1 14 14 ALA CA C 13 54.924 0.000 . . . . . . . 34 ALA CA . 51382 1 55 . 1 . 1 14 14 ALA CB C 13 17.343 0.000 . . . . . . . 34 ALA CB . 51382 1 56 . 1 . 1 14 14 ALA N N 15 123.760 0.000 . . . . . . . 34 ALA N . 51382 1 57 . 1 . 1 15 15 SER H H 1 8.049 0.000 . . . . . . . 35 SER H . 51382 1 58 . 1 . 1 15 15 SER C C 13 176.784 0.000 . . . . . . . 35 SER C . 51382 1 59 . 1 . 1 15 15 SER CA C 13 61.067 0.000 . . . . . . . 35 SER CA . 51382 1 60 . 1 . 1 15 15 SER CB C 13 62.051 0.000 . . . . . . . 35 SER CB . 51382 1 61 . 1 . 1 15 15 SER N N 15 108.593 0.000 . . . . . . . 35 SER N . 51382 1 62 . 1 . 1 16 16 ASP H H 1 7.323 0.000 . . . . . . . 36 ASP H . 51382 1 63 . 1 . 1 16 16 ASP C C 13 177.356 0.000 . . . . . . . 36 ASP C . 51382 1 64 . 1 . 1 16 16 ASP CA C 13 57.117 0.000 . . . . . . . 36 ASP CA . 51382 1 65 . 1 . 1 16 16 ASP CB C 13 42.685 0.000 . . . . . . . 36 ASP CB . 51382 1 66 . 1 . 1 16 16 ASP N N 15 120.302 0.000 . . . . . . . 36 ASP N . 51382 1 67 . 1 . 1 17 17 VAL H H 1 6.930 0.000 . . . . . . . 37 VAL H . 51382 1 68 . 1 . 1 17 17 VAL C C 13 175.501 0.000 . . . . . . . 37 VAL C . 51382 1 69 . 1 . 1 17 17 VAL CA C 13 59.043 0.000 . . . . . . . 37 VAL CA . 51382 1 70 . 1 . 1 17 17 VAL CB C 13 32.383 0.000 . . . . . . . 37 VAL CB . 51382 1 71 . 1 . 1 17 17 VAL N N 15 108.968 0.000 . . . . . . . 37 VAL N . 51382 1 72 . 1 . 1 18 18 LEU H H 1 6.742 0.000 . . . . . . . 38 LEU H . 51382 1 73 . 1 . 1 18 18 LEU C C 13 173.986 0.000 . . . . . . . 38 LEU C . 51382 1 74 . 1 . 1 18 18 LEU CA C 13 59.946 0.000 . . . . . . . 38 LEU CA . 51382 1 75 . 1 . 1 18 18 LEU CB C 13 40.261 0.000 . . . . . . . 38 LEU CB . 51382 1 76 . 1 . 1 18 18 LEU N N 15 123.257 0.000 . . . . . . . 38 LEU N . 51382 1 77 . 1 . 1 19 19 PRO C C 13 179.930 0.000 . . . . . . . 39 PRO C . 51382 1 78 . 1 . 1 19 19 PRO CA C 13 67.027 0.000 . . . . . . . 39 PRO CA . 51382 1 79 . 1 . 1 19 19 PRO CB C 13 30.783 0.000 . . . . . . . 39 PRO CB . 51382 1 80 . 1 . 1 20 20 ILE H H 1 7.415 0.000 . . . . . . . 40 ILE H . 51382 1 81 . 1 . 1 20 20 ILE C C 13 179.087 0.000 . . . . . . . 40 ILE C . 51382 1 82 . 1 . 1 20 20 ILE CA C 13 63.092 0.000 . . . . . . . 40 ILE CA . 51382 1 83 . 1 . 1 20 20 ILE CB C 13 38.051 0.000 . . . . . . . 40 ILE CB . 51382 1 84 . 1 . 1 20 20 ILE N N 15 115.671 0.000 . . . . . . . 40 ILE N . 51382 1 85 . 1 . 1 21 21 LEU H H 1 8.482 0.000 . . . . . . . 41 LEU H . 51382 1 86 . 1 . 1 21 21 LEU C C 13 182.117 0.000 . . . . . . . 41 LEU C . 51382 1 87 . 1 . 1 21 21 LEU CA C 13 58.676 0.000 . . . . . . . 41 LEU CA . 51382 1 88 . 1 . 1 21 21 LEU CB C 13 42.743 0.000 . . . . . . . 41 LEU CB . 51382 1 89 . 1 . 1 21 21 LEU N N 15 125.329 0.000 . . . . . . . 41 LEU N . 51382 1 90 . 1 . 1 22 22 LYS H H 1 8.626 0.000 . . . . . . . 42 LYS H . 51382 1 91 . 1 . 1 22 22 LYS C C 13 177.990 0.000 . . . . . . . 42 LYS C . 51382 1 92 . 1 . 1 22 22 LYS CA C 13 59.773 0.000 . . . . . . . 42 LYS CA . 51382 1 93 . 1 . 1 22 22 LYS CB C 13 32.525 0.000 . . . . . . . 42 LYS CB . 51382 1 94 . 1 . 1 22 22 LYS N N 15 121.283 0.000 . . . . . . . 42 LYS N . 51382 1 95 . 1 . 1 23 23 GLU H H 1 7.103 0.000 . . . . . . . 43 GLU H . 51382 1 96 . 1 . 1 23 23 GLU C C 13 176.197 0.000 . . . . . . . 43 GLU C . 51382 1 97 . 1 . 1 23 23 GLU CA C 13 57.366 0.000 . . . . . . . 43 GLU CA . 51382 1 98 . 1 . 1 23 23 GLU CB C 13 30.359 0.000 . . . . . . . 43 GLU CB . 51382 1 99 . 1 . 1 23 23 GLU N N 15 117.215 0.000 . . . . . . . 43 GLU N . 51382 1 100 . 1 . 1 24 24 LYS H H 1 7.854 0.000 . . . . . . . 44 LYS H . 51382 1 101 . 1 . 1 24 24 LYS C C 13 175.254 0.000 . . . . . . . 44 LYS C . 51382 1 102 . 1 . 1 24 24 LYS CA C 13 57.464 0.000 . . . . . . . 44 LYS CA . 51382 1 103 . 1 . 1 24 24 LYS CB C 13 32.467 0.000 . . . . . . . 44 LYS CB . 51382 1 104 . 1 . 1 24 24 LYS N N 15 119.921 0.000 . . . . . . . 44 LYS N . 51382 1 105 . 1 . 1 25 25 VAL H H 1 7.170 0.000 . . . . . . . 45 VAL H . 51382 1 106 . 1 . 1 25 25 VAL C C 13 175.408 0.000 . . . . . . . 45 VAL C . 51382 1 107 . 1 . 1 25 25 VAL CA C 13 64.276 0.000 . . . . . . . 45 VAL CA . 51382 1 108 . 1 . 1 25 25 VAL CB C 13 32.987 0.000 . . . . . . . 45 VAL CB . 51382 1 109 . 1 . 1 25 25 VAL N N 15 118.524 0.000 . . . . . . . 45 VAL N . 51382 1 110 . 1 . 1 26 26 ALA H H 1 7.192 0.000 . . . . . . . 46 ALA H . 51382 1 111 . 1 . 1 26 26 ALA C C 13 175.501 0.000 . . . . . . . 46 ALA C . 51382 1 112 . 1 . 1 26 26 ALA CA C 13 50.484 0.000 . . . . . . . 46 ALA CA . 51382 1 113 . 1 . 1 26 26 ALA CB C 13 21.684 0.000 . . . . . . . 46 ALA CB . 51382 1 114 . 1 . 1 26 26 ALA N N 15 115.187 0.000 . . . . . . . 46 ALA N . 51382 1 115 . 1 . 1 27 27 PHE H H 1 7.966 0.000 . . . . . . . 47 PHE H . 51382 1 116 . 1 . 1 27 27 PHE C C 13 173.600 0.000 . . . . . . . 47 PHE C . 51382 1 117 . 1 . 1 27 27 PHE CA C 13 55.805 0.000 . . . . . . . 47 PHE CA . 51382 1 118 . 1 . 1 27 27 PHE CB C 13 41.810 0.000 . . . . . . . 47 PHE CB . 51382 1 119 . 1 . 1 27 27 PHE N N 15 110.925 0.000 . . . . . . . 47 PHE N . 51382 1 120 . 1 . 1 28 28 VAL H H 1 8.923 0.000 . . . . . . . 48 VAL H . 51382 1 121 . 1 . 1 28 28 VAL C C 13 173.661 0.000 . . . . . . . 48 VAL C . 51382 1 122 . 1 . 1 28 28 VAL CA C 13 61.158 0.000 . . . . . . . 48 VAL CA . 51382 1 123 . 1 . 1 28 28 VAL N N 15 123.735 0.000 . . . . . . . 48 VAL N . 51382 1 124 . 1 . 1 29 29 SER H H 1 7.913 0.000 . . . . . . . 49 SER H . 51382 1 125 . 1 . 1 29 29 SER C C 13 174.574 0.000 . . . . . . . 49 SER C . 51382 1 126 . 1 . 1 29 29 SER CA C 13 58.734 0.000 . . . . . . . 49 SER CA . 51382 1 127 . 1 . 1 29 29 SER CB C 13 64.276 0.000 . . . . . . . 49 SER CB . 51382 1 128 . 1 . 1 29 29 SER N N 15 120.167 0.000 . . . . . . . 49 SER N . 51382 1 129 . 1 . 1 30 30 GLY H H 1 8.205 0.000 . . . . . . . 50 GLY H . 51382 1 130 . 1 . 1 30 30 GLY N N 15 109.697 0.000 . . . . . . . 50 GLY N . 51382 1 131 . 1 . 1 31 31 GLY H H 1 8.452 0.000 . . . . . . . 51 GLY H . 51382 1 132 . 1 . 1 31 31 GLY C C 13 173.708 0.000 . . . . . . . 51 GLY C . 51382 1 133 . 1 . 1 31 31 GLY CA C 13 45.395 0.000 . . . . . . . 51 GLY CA . 51382 1 134 . 1 . 1 31 31 GLY N N 15 110.342 0.000 . . . . . . . 51 GLY N . 51382 1 135 . 1 . 1 32 32 ARG H H 1 8.830 0.000 . . . . . . . 52 ARG H . 51382 1 136 . 1 . 1 32 32 ARG C C 13 176.367 0.000 . . . . . . . 52 ARG C . 51382 1 137 . 1 . 1 32 32 ARG CA C 13 53.711 0.000 . . . . . . . 52 ARG CA . 51382 1 138 . 1 . 1 32 32 ARG CB C 13 34.546 0.000 . . . . . . . 52 ARG CB . 51382 1 139 . 1 . 1 32 32 ARG N N 15 123.931 0.000 . . . . . . . 52 ARG N . 51382 1 140 . 1 . 1 33 33 ASP H H 1 8.799 0.000 . . . . . . . 53 ASP H . 51382 1 141 . 1 . 1 33 33 ASP C C 13 178.083 0.000 . . . . . . . 53 ASP C . 51382 1 142 . 1 . 1 33 33 ASP CA C 13 53.332 0.000 . . . . . . . 53 ASP CA . 51382 1 143 . 1 . 1 33 33 ASP CB C 13 41.208 0.000 . . . . . . . 53 ASP CB . 51382 1 144 . 1 . 1 33 33 ASP N N 15 119.028 0.000 . . . . . . . 53 ASP N . 51382 1 145 . 1 . 1 34 34 LYS H H 1 7.727 0.000 . . . . . . . 54 LYS H . 51382 1 146 . 1 . 1 34 34 LYS C C 13 177.974 0.000 . . . . . . . 54 LYS C . 51382 1 147 . 1 . 1 34 34 LYS CA C 13 59.969 0.000 . . . . . . . 54 LYS CA . 51382 1 148 . 1 . 1 34 34 LYS CB C 13 32.615 0.000 . . . . . . . 54 LYS CB . 51382 1 149 . 1 . 1 34 34 LYS N N 15 117.112 0.000 . . . . . . . 54 LYS N . 51382 1 150 . 1 . 1 35 35 ARG H H 1 8.279 0.000 . . . . . . . 55 ARG H . 51382 1 151 . 1 . 1 35 35 ARG C C 13 177.696 0.000 . . . . . . . 55 ARG C . 51382 1 152 . 1 . 1 35 35 ARG CA C 13 55.053 0.000 . . . . . . . 55 ARG CA . 51382 1 153 . 1 . 1 35 35 ARG CB C 13 29.029 0.000 . . . . . . . 55 ARG CB . 51382 1 154 . 1 . 1 35 35 ARG N N 15 118.452 0.000 . . . . . . . 55 ARG N . 51382 1 155 . 1 . 1 36 36 GLY H H 1 7.821 0.000 . . . . . . . 56 GLY H . 51382 1 156 . 1 . 1 36 36 GLY C C 13 175.006 0.000 . . . . . . . 56 GLY C . 51382 1 157 . 1 . 1 36 36 GLY CA C 13 44.821 0.000 . . . . . . . 56 GLY CA . 51382 1 158 . 1 . 1 36 36 GLY N N 15 106.659 0.000 . . . . . . . 56 GLY N . 51382 1 159 . 1 . 1 37 37 GLY H H 1 8.971 0.000 . . . . . . . 57 GLY H . 51382 1 160 . 1 . 1 37 37 GLY C C 13 170.863 0.000 . . . . . . . 57 GLY C . 51382 1 161 . 1 . 1 37 37 GLY CA C 13 43.718 0.000 . . . . . . . 57 GLY CA . 51382 1 162 . 1 . 1 37 37 GLY N N 15 112.257 0.000 . . . . . . . 57 GLY N . 51382 1 163 . 1 . 1 41 41 THR H H 1 8.202 0.000 . . . . . . . 61 THR H . 51382 1 164 . 1 . 1 41 41 THR C C 13 172.793 0.000 . . . . . . . 61 THR C . 51382 1 165 . 1 . 1 41 41 THR CA C 13 62.486 0.000 . . . . . . . 61 THR CA . 51382 1 166 . 1 . 1 41 41 THR CB C 13 69.817 0.000 . . . . . . . 61 THR CB . 51382 1 167 . 1 . 1 41 41 THR N N 15 123.195 0.000 . . . . . . . 61 THR N . 51382 1 168 . 1 . 1 42 42 PHE H H 1 9.186 0.000 . . . . . . . 62 PHE H . 51382 1 169 . 1 . 1 42 42 PHE C C 13 173.522 0.000 . . . . . . . 62 PHE C . 51382 1 170 . 1 . 1 42 42 PHE CA C 13 54.635 0.000 . . . . . . . 62 PHE CA . 51382 1 171 . 1 . 1 42 42 PHE CB C 13 40.203 0.000 . . . . . . . 62 PHE CB . 51382 1 172 . 1 . 1 42 42 PHE N N 15 125.403 0.000 . . . . . . . 62 PHE N . 51382 1 173 . 1 . 1 43 43 PRO C C 13 176.259 0.000 . . . . . . . 63 PRO C . 51382 1 174 . 1 . 1 43 43 PRO CA C 13 61.904 0.000 . . . . . . . 63 PRO CA . 51382 1 175 . 1 . 1 43 43 PRO CB C 13 33.944 0.000 . . . . . . . 63 PRO CB . 51382 1 176 . 1 . 1 44 44 ALA H H 1 9.530 0.000 . . . . . . . 64 ALA H . 51382 1 177 . 1 . 1 44 44 ALA C C 13 178.268 0.000 . . . . . . . 64 ALA C . 51382 1 178 . 1 . 1 44 44 ALA CA C 13 53.134 0.000 . . . . . . . 64 ALA CA . 51382 1 179 . 1 . 1 44 44 ALA CB C 13 19.392 0.000 . . . . . . . 64 ALA CB . 51382 1 180 . 1 . 1 44 44 ALA N N 15 125.268 0.000 . . . . . . . 64 ALA N . 51382 1 181 . 1 . 1 45 45 ARG H H 1 8.244 0.000 . . . . . . . 65 ARG H . 51382 1 182 . 1 . 1 45 45 ARG C C 13 176.119 0.000 . . . . . . . 65 ARG C . 51382 1 183 . 1 . 1 45 45 ARG CA C 13 55.260 0.000 . . . . . . . 65 ARG CA . 51382 1 184 . 1 . 1 45 45 ARG CB C 13 32.387 0.000 . . . . . . . 65 ARG CB . 51382 1 185 . 1 . 1 45 45 ARG N N 15 120.437 0.000 . . . . . . . 65 ARG N . 51382 1 186 . 1 . 1 46 46 SER CA C 13 59.070 0.000 . . . . . . . 66 SER CA . 51382 1 187 . 1 . 1 46 46 SER CB C 13 64.193 0.000 . . . . . . . 66 SER CB . 51382 1 188 . 1 . 1 47 47 ASN H H 1 7.798 0.000 . . . . . . . 67 ASN H . 51382 1 189 . 1 . 1 47 47 ASN C C 13 175.429 0.000 . . . . . . . 67 ASN C . 51382 1 190 . 1 . 1 47 47 ASN CA C 13 53.238 0.000 . . . . . . . 67 ASN CA . 51382 1 191 . 1 . 1 47 47 ASN CB C 13 39.176 0.000 . . . . . . . 67 ASN CB . 51382 1 192 . 1 . 1 47 47 ASN N N 15 117.738 0.000 . . . . . . . 67 ASN N . 51382 1 193 . 1 . 1 49 49 ASP H H 1 8.401 0.000 . . . . . . . 69 ASP H . 51382 1 194 . 1 . 1 49 49 ASP C C 13 176.985 0.000 . . . . . . . 69 ASP C . 51382 1 195 . 1 . 1 49 49 ASP CA C 13 55.501 0.000 . . . . . . . 69 ASP CA . 51382 1 196 . 1 . 1 49 49 ASP CB C 13 40.375 0.000 . . . . . . . 69 ASP CB . 51382 1 197 . 1 . 1 49 49 ASP N N 15 119.652 0.000 . . . . . . . 69 ASP N . 51382 1 198 . 1 . 1 50 50 ARG H H 1 7.981 0.000 . . . . . . . 70 ARG H . 51382 1 199 . 1 . 1 50 50 ARG C C 13 176.305 0.000 . . . . . . . 70 ARG C . 51382 1 200 . 1 . 1 50 50 ARG CA C 13 56.152 0.000 . . . . . . . 70 ARG CA . 51382 1 201 . 1 . 1 50 50 ARG CB C 13 30.301 0.000 . . . . . . . 70 ARG CB . 51382 1 202 . 1 . 1 50 50 ARG N N 15 118.426 0.000 . . . . . . . 70 ARG N . 51382 1 203 . 1 . 1 51 51 ILE H H 1 7.510 0.000 . . . . . . . 71 ILE H . 51382 1 204 . 1 . 1 51 51 ILE C C 13 176.197 0.000 . . . . . . . 71 ILE C . 51382 1 205 . 1 . 1 51 51 ILE CA C 13 59.946 0.000 . . . . . . . 71 ILE CA . 51382 1 206 . 1 . 1 51 51 ILE CB C 13 38.182 0.000 . . . . . . . 71 ILE CB . 51382 1 207 . 1 . 1 51 51 ILE N N 15 121.859 0.000 . . . . . . . 71 ILE N . 51382 1 208 . 1 . 1 52 52 ARG H H 1 8.970 0.000 . . . . . . . 72 ARG H . 51382 1 209 . 1 . 1 52 52 ARG C C 13 178.330 0.000 . . . . . . . 72 ARG C . 51382 1 210 . 1 . 1 52 52 ARG CA C 13 56.020 0.000 . . . . . . . 72 ARG CA . 51382 1 211 . 1 . 1 52 52 ARG CB C 13 30.505 0.000 . . . . . . . 72 ARG CB . 51382 1 212 . 1 . 1 52 52 ARG N N 15 128.419 0.000 . . . . . . . 72 ARG N . 51382 1 213 . 1 . 1 54 54 GLU H H 1 9.369 0.000 . . . . . . . 74 GLU H . 51382 1 214 . 1 . 1 54 54 GLU C C 13 178.933 0.000 . . . . . . . 74 GLU C . 51382 1 215 . 1 . 1 54 54 GLU CA C 13 59.911 0.000 . . . . . . . 74 GLU CA . 51382 1 216 . 1 . 1 54 54 GLU CB C 13 29.260 0.000 . . . . . . . 74 GLU CB . 51382 1 217 . 1 . 1 54 54 GLU N N 15 118.352 0.000 . . . . . . . 74 GLU N . 51382 1 218 . 1 . 1 55 55 ASP H H 1 6.720 0.000 . . . . . . . 75 ASP H . 51382 1 219 . 1 . 1 55 55 ASP C C 13 178.284 0.000 . . . . . . . 75 ASP C . 51382 1 220 . 1 . 1 55 55 ASP CA C 13 56.944 0.000 . . . . . . . 75 ASP CA . 51382 1 221 . 1 . 1 55 55 ASP CB C 13 40.722 0.000 . . . . . . . 75 ASP CB . 51382 1 222 . 1 . 1 55 55 ASP N N 15 118.781 0.000 . . . . . . . 75 ASP N . 51382 1 223 . 1 . 1 56 56 LEU H H 1 7.781 0.000 . . . . . . . 76 LEU H . 51382 1 224 . 1 . 1 56 56 LEU C C 13 178.670 0.000 . . . . . . . 76 LEU C . 51382 1 225 . 1 . 1 56 56 LEU CA C 13 57.983 0.000 . . . . . . . 76 LEU CA . 51382 1 226 . 1 . 1 56 56 LEU CB C 13 41.935 0.000 . . . . . . . 76 LEU CB . 51382 1 227 . 1 . 1 56 56 LEU N N 15 122.509 0.000 . . . . . . . 76 LEU N . 51382 1 228 . 1 . 1 57 57 ARG H H 1 8.210 0.000 . . . . . . . 77 ARG H . 51382 1 229 . 1 . 1 57 57 ARG C C 13 179.118 0.000 . . . . . . . 77 ARG C . 51382 1 230 . 1 . 1 57 57 ARG CA C 13 60.431 0.000 . . . . . . . 77 ARG CA . 51382 1 231 . 1 . 1 57 57 ARG CB C 13 30.301 0.000 . . . . . . . 77 ARG CB . 51382 1 232 . 1 . 1 57 57 ARG N N 15 118.107 0.000 . . . . . . . 77 ARG N . 51382 1 233 . 1 . 1 58 58 LYS H H 1 7.327 0.000 . . . . . . . 78 LYS H . 51382 1 234 . 1 . 1 58 58 LYS C C 13 178.438 0.000 . . . . . . . 78 LYS C . 51382 1 235 . 1 . 1 58 58 LYS CA C 13 60.235 0.000 . . . . . . . 78 LYS CA . 51382 1 236 . 1 . 1 58 58 LYS CB C 13 33.102 0.000 . . . . . . . 78 LYS CB . 51382 1 237 . 1 . 1 58 58 LYS N N 15 119.909 0.000 . . . . . . . 78 LYS N . 51382 1 238 . 1 . 1 59 59 LEU H H 1 8.248 0.000 . . . . . . . 79 LEU H . 51382 1 239 . 1 . 1 59 59 LEU C C 13 178.995 0.000 . . . . . . . 79 LEU C . 51382 1 240 . 1 . 1 59 59 LEU CA C 13 58.965 0.000 . . . . . . . 79 LEU CA . 51382 1 241 . 1 . 1 59 59 LEU CB C 13 41.415 0.000 . . . . . . . 79 LEU CB . 51382 1 242 . 1 . 1 59 59 LEU N N 15 119.615 0.000 . . . . . . . 79 LEU N . 51382 1 243 . 1 . 1 60 60 VAL H H 1 8.340 0.000 . . . . . . . 80 VAL H . 51382 1 244 . 1 . 1 60 60 VAL C C 13 177.186 0.000 . . . . . . . 80 VAL C . 51382 1 245 . 1 . 1 60 60 VAL CA C 13 65.925 0.000 . . . . . . . 80 VAL CA . 51382 1 246 . 1 . 1 60 60 VAL CB C 13 30.822 0.000 . . . . . . . 80 VAL CB . 51382 1 247 . 1 . 1 60 60 VAL N N 15 110.897 0.000 . . . . . . . 80 VAL N . 51382 1 248 . 1 . 1 61 61 THR H H 1 7.425 0.000 . . . . . . . 81 THR H . 51382 1 249 . 1 . 1 61 61 THR CA C 13 67.545 0.000 . . . . . . . 81 THR CA . 51382 1 250 . 1 . 1 61 61 THR CB C 13 68.065 0.000 . . . . . . . 81 THR CB . 51382 1 251 . 1 . 1 61 61 THR N N 15 118.254 0.000 . . . . . . . 81 THR N . 51382 1 252 . 1 . 1 62 62 TYR H H 1 8.113 0.000 . . . . . . . 82 TYR H . 51382 1 253 . 1 . 1 62 62 TYR C C 13 179.335 0.000 . . . . . . . 82 TYR C . 51382 1 254 . 1 . 1 62 62 TYR CA C 13 62.024 0.000 . . . . . . . 82 TYR CA . 51382 1 255 . 1 . 1 62 62 TYR CB C 13 38.933 0.000 . . . . . . . 82 TYR CB . 51382 1 256 . 1 . 1 62 62 TYR N N 15 122.251 0.000 . . . . . . . 82 TYR N . 51382 1 257 . 1 . 1 63 63 LEU H H 1 8.604 0.000 . . . . . . . 83 LEU H . 51382 1 258 . 1 . 1 63 63 LEU C C 13 178.222 0.000 . . . . . . . 83 LEU C . 51382 1 259 . 1 . 1 63 63 LEU CA C 13 57.655 0.000 . . . . . . . 83 LEU CA . 51382 1 260 . 1 . 1 63 63 LEU CB C 13 40.827 0.000 . . . . . . . 83 LEU CB . 51382 1 261 . 1 . 1 63 63 LEU N N 15 118.475 0.000 . . . . . . . 83 LEU N . 51382 1 262 . 1 . 1 64 64 ALA H H 1 7.210 0.000 . . . . . . . 84 ALA H . 51382 1 263 . 1 . 1 64 64 ALA C C 13 177.341 0.000 . . . . . . . 84 ALA C . 51382 1 264 . 1 . 1 64 64 ALA CA C 13 54.125 0.000 . . . . . . . 84 ALA CA . 51382 1 265 . 1 . 1 64 64 ALA CB C 13 18.602 0.000 . . . . . . . 84 ALA CB . 51382 1 266 . 1 . 1 64 64 ALA N N 15 118.100 0.000 . . . . . . . 84 ALA N . 51382 1 267 . 1 . 1 65 65 SER H H 1 7.057 0.000 . . . . . . . 85 SER H . 51382 1 268 . 1 . 1 65 65 SER C C 13 174.295 0.000 . . . . . . . 85 SER C . 51382 1 269 . 1 . 1 65 65 SER CA C 13 58.118 0.000 . . . . . . . 85 SER CA . 51382 1 270 . 1 . 1 65 65 SER CB C 13 64.595 0.000 . . . . . . . 85 SER CB . 51382 1 271 . 1 . 1 65 65 SER N N 15 108.198 0.000 . . . . . . . 85 SER N . 51382 1 272 . 1 . 1 66 66 VAL H H 1 7.204 0.000 . . . . . . . 86 VAL H . 51382 1 273 . 1 . 1 66 66 VAL C C 13 174.079 0.000 . . . . . . . 86 VAL C . 51382 1 274 . 1 . 1 66 66 VAL CA C 13 67.104 0.000 . . . . . . . 86 VAL CA . 51382 1 275 . 1 . 1 66 66 VAL CB C 13 30.389 0.000 . . . . . . . 86 VAL CB . 51382 1 276 . 1 . 1 66 66 VAL N N 15 122.080 0.000 . . . . . . . 86 VAL N . 51382 1 277 . 1 . 1 67 67 PRO C C 13 175.356 0.000 . . . . . . . 87 PRO C . 51382 1 278 . 1 . 1 67 67 PRO CA C 13 62.285 0.000 . . . . . . . 87 PRO CA . 51382 1 279 . 1 . 1 67 67 PRO CB C 13 30.183 0.000 . . . . . . . 87 PRO CB . 51382 1 280 . 1 . 1 68 68 SER H H 1 8.246 0.000 . . . . . . . 88 SER H . 51382 1 281 . 1 . 1 68 68 SER C C 13 176.197 0.000 . . . . . . . 88 SER C . 51382 1 282 . 1 . 1 68 68 SER CA C 13 58.407 0.000 . . . . . . . 88 SER CA . 51382 1 283 . 1 . 1 68 68 SER CB C 13 64.075 0.000 . . . . . . . 88 SER CB . 51382 1 284 . 1 . 1 68 68 SER N N 15 115.515 0.000 . . . . . . . 88 SER N . 51382 1 285 . 1 . 1 69 69 GLU H H 1 8.983 0.000 . . . . . . . 89 GLU H . 51382 1 286 . 1 . 1 69 69 GLU C C 13 178.299 0.000 . . . . . . . 89 GLU C . 51382 1 287 . 1 . 1 69 69 GLU CA C 13 60.812 0.000 . . . . . . . 89 GLU CA . 51382 1 288 . 1 . 1 69 69 GLU CB C 13 29.812 0.000 . . . . . . . 89 GLU CB . 51382 1 289 . 1 . 1 69 69 GLU N N 15 124.924 0.000 . . . . . . . 89 GLU N . 51382 1 290 . 1 . 1 70 70 ASP H H 1 8.420 0.000 . . . . . . . 90 ASP H . 51382 1 291 . 1 . 1 70 70 ASP C C 13 178.144 0.000 . . . . . . . 90 ASP C . 51382 1 292 . 1 . 1 70 70 ASP CA C 13 56.904 0.000 . . . . . . . 90 ASP CA . 51382 1 293 . 1 . 1 70 70 ASP CB C 13 40.133 0.000 . . . . . . . 90 ASP CB . 51382 1 294 . 1 . 1 70 70 ASP N N 15 116.024 0.000 . . . . . . . 90 ASP N . 51382 1 295 . 1 . 1 71 71 VAL H H 1 6.973 0.000 . . . . . . . 91 VAL H . 51382 1 296 . 1 . 1 71 71 VAL C C 13 178.686 0.000 . . . . . . . 91 VAL C . 51382 1 297 . 1 . 1 71 71 VAL CA C 13 65.892 0.000 . . . . . . . 91 VAL CA . 51382 1 298 . 1 . 1 71 71 VAL CB C 13 32.108 0.000 . . . . . . . 91 VAL CB . 51382 1 299 . 1 . 1 71 71 VAL N N 15 121.006 0.000 . . . . . . . 91 VAL N . 51382 1 300 . 1 . 1 72 72 CYS H H 1 8.202 0.000 . . . . . . . 92 CYS H . 51382 1 301 . 1 . 1 72 72 CYS C C 13 178.485 0.000 . . . . . . . 92 CYS C . 51382 1 302 . 1 . 1 72 72 CYS CA C 13 63.843 0.000 . . . . . . . 92 CYS CA . 51382 1 303 . 1 . 1 72 72 CYS CB C 13 27.178 0.000 . . . . . . . 92 CYS CB . 51382 1 304 . 1 . 1 72 72 CYS N N 15 117.923 0.000 . . . . . . . 92 CYS N . 51382 1 305 . 1 . 1 73 73 LYS H H 1 7.645 0.000 . . . . . . . 93 LYS H . 51382 1 306 . 1 . 1 73 73 LYS C C 13 177.603 0.000 . . . . . . . 93 LYS C . 51382 1 307 . 1 . 1 73 73 LYS CA C 13 58.581 0.000 . . . . . . . 93 LYS CA . 51382 1 308 . 1 . 1 73 73 LYS CB C 13 32.499 0.000 . . . . . . . 93 LYS CB . 51382 1 309 . 1 . 1 73 73 LYS N N 15 118.537 0.000 . . . . . . . 93 LYS N . 51382 1 310 . 1 . 1 74 74 ARG H H 1 7.182 0.000 . . . . . . . 94 ARG H . 51382 1 311 . 1 . 1 74 74 ARG C C 13 177.650 0.000 . . . . . . . 94 ARG C . 51382 1 312 . 1 . 1 74 74 ARG CA C 13 57.135 0.000 . . . . . . . 94 ARG CA . 51382 1 313 . 1 . 1 74 74 ARG CB C 13 30.186 0.000 . . . . . . . 94 ARG CB . 51382 1 314 . 1 . 1 74 74 ARG N N 15 117.069 0.000 . . . . . . . 94 ARG N . 51382 1 315 . 1 . 1 75 75 GLY H H 1 7.573 0.000 . . . . . . . 95 GLY H . 51382 1 316 . 1 . 1 75 75 GLY C C 13 173.028 0.000 . . . . . . . 95 GLY C . 51382 1 317 . 1 . 1 75 75 GLY CA C 13 43.718 0.000 . . . . . . . 95 GLY CA . 51382 1 318 . 1 . 1 75 75 GLY N N 15 107.917 0.000 . . . . . . . 95 GLY N . 51382 1 319 . 1 . 1 76 76 PHE H H 1 9.178 0.000 . . . . . . . 96 PHE H . 51382 1 320 . 1 . 1 76 76 PHE C C 13 178.794 0.000 . . . . . . . 96 PHE C . 51382 1 321 . 1 . 1 76 76 PHE CA C 13 58.560 0.000 . . . . . . . 96 PHE CA . 51382 1 322 . 1 . 1 76 76 PHE CB C 13 41.531 0.000 . . . . . . . 96 PHE CB . 51382 1 323 . 1 . 1 76 76 PHE N N 15 119.934 0.000 . . . . . . . 96 PHE N . 51382 1 324 . 1 . 1 77 77 THR H H 1 8.520 0.000 . . . . . . . 97 THR H . 51382 1 325 . 1 . 1 77 77 THR C C 13 173.862 0.000 . . . . . . . 97 THR C . 51382 1 326 . 1 . 1 77 77 THR CA C 13 64.391 0.000 . . . . . . . 97 THR CA . 51382 1 327 . 1 . 1 77 77 THR CB C 13 69.182 0.000 . . . . . . . 97 THR CB . 51382 1 328 . 1 . 1 77 77 THR N N 15 121.283 0.000 . . . . . . . 97 THR N . 51382 1 329 . 1 . 1 78 78 VAL H H 1 8.604 0.000 . . . . . . . 98 VAL H . 51382 1 330 . 1 . 1 78 78 VAL C C 13 174.233 0.000 . . . . . . . 98 VAL C . 51382 1 331 . 1 . 1 78 78 VAL CA C 13 60.235 0.000 . . . . . . . 98 VAL CA . 51382 1 332 . 1 . 1 78 78 VAL CB C 13 33.160 0.000 . . . . . . . 98 VAL CB . 51382 1 333 . 1 . 1 78 78 VAL N N 15 129.547 0.000 . . . . . . . 98 VAL N . 51382 1 334 . 1 . 1 79 79 ILE H H 1 8.821 0.000 . . . . . . . 99 ILE H . 51382 1 335 . 1 . 1 79 79 ILE C C 13 174.883 0.000 . . . . . . . 99 ILE C . 51382 1 336 . 1 . 1 79 79 ILE CA C 13 60.581 0.000 . . . . . . . 99 ILE CA . 51382 1 337 . 1 . 1 79 79 ILE CB C 13 40.318 0.000 . . . . . . . 99 ILE CB . 51382 1 338 . 1 . 1 79 79 ILE N N 15 127.389 0.000 . . . . . . . 99 ILE N . 51382 1 339 . 1 . 1 80 80 ILE H H 1 9.059 0.000 . . . . . . . 100 ILE H . 51382 1 340 . 1 . 1 80 80 ILE C C 13 174.871 0.000 . . . . . . . 100 ILE C . 51382 1 341 . 1 . 1 80 80 ILE CA C 13 59.946 0.000 . . . . . . . 100 ILE CA . 51382 1 342 . 1 . 1 80 80 ILE CB C 13 41.011 0.000 . . . . . . . 100 ILE CB . 51382 1 343 . 1 . 1 80 80 ILE N N 15 127.463 0.000 . . . . . . . 100 ILE N . 51382 1 344 . 1 . 1 81 81 ASP H H 1 8.248 0.000 . . . . . . . 101 ASP H . 51382 1 345 . 1 . 1 81 81 ASP C C 13 175.733 0.000 . . . . . . . 101 ASP C . 51382 1 346 . 1 . 1 81 81 ASP CA C 13 54.173 0.000 . . . . . . . 101 ASP CA . 51382 1 347 . 1 . 1 81 81 ASP CB C 13 41.058 0.000 . . . . . . . 101 ASP CB . 51382 1 348 . 1 . 1 81 81 ASP N N 15 126.298 0.000 . . . . . . . 101 ASP N . 51382 1 349 . 1 . 1 82 82 MET H H 1 8.412 0.000 . . . . . . . 102 MET H . 51382 1 350 . 1 . 1 82 82 MET C C 13 177.186 0.000 . . . . . . . 102 MET C . 51382 1 351 . 1 . 1 82 82 MET CA C 13 54.173 0.000 . . . . . . . 102 MET CA . 51382 1 352 . 1 . 1 82 82 MET CB C 13 41.184 0.000 . . . . . . . 102 MET CB . 51382 1 353 . 1 . 1 82 82 MET N N 15 128.518 0.000 . . . . . . . 102 MET N . 51382 1 354 . 1 . 1 83 83 ARG H H 1 8.045 0.000 . . . . . . . 103 ARG H . 51382 1 355 . 1 . 1 83 83 ARG C C 13 177.820 0.000 . . . . . . . 103 ARG C . 51382 1 356 . 1 . 1 83 83 ARG CA C 13 59.195 0.000 . . . . . . . 103 ARG CA . 51382 1 357 . 1 . 1 83 83 ARG CB C 13 29.004 0.000 . . . . . . . 103 ARG CB . 51382 1 358 . 1 . 1 83 83 ARG N N 15 123.306 0.000 . . . . . . . 103 ARG N . 51382 1 359 . 1 . 1 84 84 GLY H H 1 8.553 0.000 . . . . . . . 104 GLY H . 51382 1 360 . 1 . 1 84 84 GLY CA C 13 45.467 0.000 . . . . . . . 104 GLY CA . 51382 1 361 . 1 . 1 84 84 GLY N N 15 112.816 0.000 . . . . . . . 104 GLY N . 51382 1 362 . 1 . 1 85 85 SER H H 1 7.760 0.000 . . . . . . . 105 SER H . 51382 1 363 . 1 . 1 85 85 SER C C 13 174.342 0.000 . . . . . . . 105 SER C . 51382 1 364 . 1 . 1 85 85 SER CA C 13 55.747 0.000 . . . . . . . 105 SER CA . 51382 1 365 . 1 . 1 85 85 SER CB C 13 64.769 0.000 . . . . . . . 105 SER CB . 51382 1 366 . 1 . 1 85 85 SER N N 15 116.085 0.000 . . . . . . . 105 SER N . 51382 1 367 . 1 . 1 86 86 LYS H H 1 8.325 0.000 . . . . . . . 106 LYS H . 51382 1 368 . 1 . 1 86 86 LYS C C 13 177.171 0.000 . . . . . . . 106 LYS C . 51382 1 369 . 1 . 1 86 86 LYS CA C 13 55.212 0.000 . . . . . . . 106 LYS CA . 51382 1 370 . 1 . 1 86 86 LYS CB C 13 35.296 0.000 . . . . . . . 106 LYS CB . 51382 1 371 . 1 . 1 86 86 LYS N N 15 118.928 0.000 . . . . . . . 106 LYS N . 51382 1 372 . 1 . 1 88 88 ASP H H 1 8.513 0.000 . . . . . . . 108 ASP H . 51382 1 373 . 1 . 1 88 88 ASP C C 13 177.542 0.000 . . . . . . . 108 ASP C . 51382 1 374 . 1 . 1 88 88 ASP CA C 13 56.788 0.000 . . . . . . . 108 ASP CA . 51382 1 375 . 1 . 1 88 88 ASP CB C 13 40.537 0.000 . . . . . . . 108 ASP CB . 51382 1 376 . 1 . 1 88 88 ASP N N 15 114.559 0.000 . . . . . . . 108 ASP N . 51382 1 377 . 1 . 1 89 89 LEU H H 1 7.182 0.000 . . . . . . . 109 LEU H . 51382 1 378 . 1 . 1 89 89 LEU C C 13 177.727 0.000 . . . . . . . 109 LEU C . 51382 1 379 . 1 . 1 89 89 LEU CA C 13 55.689 0.000 . . . . . . . 109 LEU CA . 51382 1 380 . 1 . 1 89 89 LEU CB C 13 41.868 0.000 . . . . . . . 109 LEU CB . 51382 1 381 . 1 . 1 89 89 LEU N N 15 116.490 0.000 . . . . . . . 109 LEU N . 51382 1 382 . 1 . 1 90 90 ILE H H 1 7.205 0.000 . . . . . . . 110 ILE H . 51382 1 383 . 1 . 1 90 90 ILE C C 13 176.985 0.000 . . . . . . . 110 ILE C . 51382 1 384 . 1 . 1 90 90 ILE CA C 13 61.007 0.000 . . . . . . . 110 ILE CA . 51382 1 385 . 1 . 1 90 90 ILE CB C 13 37.770 0.000 . . . . . . . 110 ILE CB . 51382 1 386 . 1 . 1 90 90 ILE N N 15 118.027 0.000 . . . . . . . 110 ILE N . 51382 1 387 . 1 . 1 91 91 LYS H H 1 7.472 0.000 . . . . . . . 111 LYS H . 51382 1 388 . 1 . 1 91 91 LYS C C 13 175.238 0.000 . . . . . . . 111 LYS C . 51382 1 389 . 1 . 1 91 91 LYS CA C 13 62.024 0.000 . . . . . . . 111 LYS CA . 51382 1 390 . 1 . 1 91 91 LYS CB C 13 29.696 0.000 . . . . . . . 111 LYS CB . 51382 1 391 . 1 . 1 91 91 LYS N N 15 122.178 0.000 . . . . . . . 111 LYS N . 51382 1 392 . 1 . 1 92 92 PRO C C 13 179.537 0.000 . . . . . . . 112 PRO C . 51382 1 393 . 1 . 1 92 92 PRO CA C 13 65.937 0.000 . . . . . . . 112 PRO CA . 51382 1 394 . 1 . 1 92 92 PRO CB C 13 31.219 0.000 . . . . . . . 112 PRO CB . 51382 1 395 . 1 . 1 93 93 LEU H H 1 6.869 0.000 . . . . . . . 113 LEU H . 51382 1 396 . 1 . 1 93 93 LEU C C 13 178.562 0.000 . . . . . . . 113 LEU C . 51382 1 397 . 1 . 1 93 93 LEU CA C 13 57.983 0.000 . . . . . . . 113 LEU CA . 51382 1 398 . 1 . 1 93 93 LEU CB C 13 41.069 0.000 . . . . . . . 113 LEU CB . 51382 1 399 . 1 . 1 93 93 LEU N N 15 118.401 0.000 . . . . . . . 113 LEU N . 51382 1 400 . 1 . 1 94 94 LEU H H 1 7.132 0.000 . . . . . . . 114 LEU H . 51382 1 401 . 1 . 1 94 94 LEU C C 13 178.856 0.000 . . . . . . . 114 LEU C . 51382 1 402 . 1 . 1 94 94 LEU CA C 13 57.925 0.000 . . . . . . . 114 LEU CA . 51382 1 403 . 1 . 1 94 94 LEU CB C 13 41.069 0.000 . . . . . . . 114 LEU CB . 51382 1 404 . 1 . 1 94 94 LEU N N 15 118.487 0.000 . . . . . . . 114 LEU N . 51382 1 405 . 1 . 1 95 95 LYS H H 1 7.820 0.000 . . . . . . . 115 LYS H . 51382 1 406 . 1 . 1 95 95 LYS C C 13 178.809 0.000 . . . . . . . 115 LYS C . 51382 1 407 . 1 . 1 95 95 LYS CA C 13 59.830 0.000 . . . . . . . 115 LYS CA . 51382 1 408 . 1 . 1 95 95 LYS CB C 13 32.583 0.000 . . . . . . . 115 LYS CB . 51382 1 409 . 1 . 1 95 95 LYS N N 15 118.904 0.000 . . . . . . . 115 LYS N . 51382 1 410 . 1 . 1 96 96 THR H H 1 7.753 0.000 . . . . . . . 116 THR H . 51382 1 411 . 1 . 1 96 96 THR C C 13 176.660 0.000 . . . . . . . 116 THR C . 51382 1 412 . 1 . 1 96 96 THR CA C 13 67.572 0.000 . . . . . . . 116 THR CA . 51382 1 413 . 1 . 1 96 96 THR N N 15 117.028 0.000 . . . . . . . 116 THR N . 51382 1 414 . 1 . 1 97 97 LEU H H 1 7.930 0.000 . . . . . . . 117 LEU H . 51382 1 415 . 1 . 1 97 97 LEU C C 13 178.515 0.000 . . . . . . . 117 LEU C . 51382 1 416 . 1 . 1 97 97 LEU CA C 13 58.214 0.000 . . . . . . . 117 LEU CA . 51382 1 417 . 1 . 1 97 97 LEU CB C 13 41.242 0.000 . . . . . . . 117 LEU CB . 51382 1 418 . 1 . 1 97 97 LEU N N 15 121.358 0.000 . . . . . . . 117 LEU N . 51382 1 419 . 1 . 1 98 98 GLN H H 1 8.129 0.000 . . . . . . . 118 GLN H . 51382 1 420 . 1 . 1 98 98 GLN C C 13 177.557 0.000 . . . . . . . 118 GLN C . 51382 1 421 . 1 . 1 98 98 GLN CA C 13 59.622 0.000 . . . . . . . 118 GLN CA . 51382 1 422 . 1 . 1 98 98 GLN CB C 13 29.260 0.000 . . . . . . . 118 GLN CB . 51382 1 423 . 1 . 1 98 98 GLN N N 15 118.058 0.000 . . . . . . . 118 GLN N . 51382 1 424 . 1 . 1 99 99 GLU H H 1 7.914 0.000 . . . . . . . 119 GLU H . 51382 1 425 . 1 . 1 99 99 GLU C C 13 178.531 0.000 . . . . . . . 119 GLU C . 51382 1 426 . 1 . 1 99 99 GLU CA C 13 58.176 0.000 . . . . . . . 119 GLU CA . 51382 1 427 . 1 . 1 99 99 GLU CB C 13 30.995 0.000 . . . . . . . 119 GLU CB . 51382 1 428 . 1 . 1 99 99 GLU N N 15 115.524 0.000 . . . . . . . 119 GLU N . 51382 1 429 . 1 . 1 100 100 ALA H H 1 8.294 0.000 . . . . . . . 120 ALA H . 51382 1 430 . 1 . 1 100 100 ALA C C 13 176.970 0.000 . . . . . . . 120 ALA C . 51382 1 431 . 1 . 1 100 100 ALA CA C 13 52.277 0.000 . . . . . . . 120 ALA CA . 51382 1 432 . 1 . 1 100 100 ALA CB C 13 21.974 0.000 . . . . . . . 120 ALA CB . 51382 1 433 . 1 . 1 100 100 ALA N N 15 118.413 0.000 . . . . . . . 120 ALA N . 51382 1 434 . 1 . 1 101 101 PHE H H 1 8.015 0.000 . . . . . . . 121 PHE H . 51382 1 435 . 1 . 1 101 101 PHE C C 13 176.011 0.000 . . . . . . . 121 PHE C . 51382 1 436 . 1 . 1 101 101 PHE CA C 13 56.251 0.000 . . . . . . . 121 PHE CA . 51382 1 437 . 1 . 1 101 101 PHE CB C 13 41.069 0.000 . . . . . . . 121 PHE CB . 51382 1 438 . 1 . 1 101 101 PHE N N 15 120.792 0.000 . . . . . . . 121 PHE N . 51382 1 439 . 1 . 1 102 102 PRO C C 13 174.730 0.000 . . . . . . . 122 PRO C . 51382 1 440 . 1 . 1 102 102 PRO CA C 13 63.866 0.000 . . . . . . . 122 PRO CA . 51382 1 441 . 1 . 1 102 102 PRO CB C 13 30.238 0.000 . . . . . . . 122 PRO CB . 51382 1 442 . 1 . 1 103 103 ALA H H 1 6.152 0.000 . . . . . . . 123 ALA H . 51382 1 443 . 1 . 1 103 103 ALA C C 13 174.914 0.000 . . . . . . . 123 ALA C . 51382 1 444 . 1 . 1 103 103 ALA CA C 13 50.323 0.000 . . . . . . . 123 ALA CA . 51382 1 445 . 1 . 1 103 103 ALA CB C 13 21.644 0.000 . . . . . . . 123 ALA CB . 51382 1 446 . 1 . 1 103 103 ALA N N 15 122.080 0.000 . . . . . . . 123 ALA N . 51382 1 447 . 1 . 1 104 104 GLU H H 1 8.422 0.000 . . . . . . . 124 GLU H . 51382 1 448 . 1 . 1 104 104 GLU C C 13 176.676 0.000 . . . . . . . 124 GLU C . 51382 1 449 . 1 . 1 104 104 GLU CA C 13 56.886 0.000 . . . . . . . 124 GLU CA . 51382 1 450 . 1 . 1 104 104 GLU CB C 13 30.909 0.000 . . . . . . . 124 GLU CB . 51382 1 451 . 1 . 1 104 104 GLU N N 15 119.321 0.000 . . . . . . . 124 GLU N . 51382 1 452 . 1 . 1 105 105 ILE H H 1 8.957 0.000 . . . . . . . 125 ILE H . 51382 1 453 . 1 . 1 105 105 ILE C C 13 175.424 0.000 . . . . . . . 125 ILE C . 51382 1 454 . 1 . 1 105 105 ILE CA C 13 61.562 0.000 . . . . . . . 125 ILE CA . 51382 1 455 . 1 . 1 105 105 ILE CB C 13 39.337 0.000 . . . . . . . 125 ILE CB . 51382 1 456 . 1 . 1 105 105 ILE N N 15 126.715 0.000 . . . . . . . 125 ILE N . 51382 1 457 . 1 . 1 106 106 HIS H H 1 9.789 0.000 . . . . . . . 126 HIS H . 51382 1 458 . 1 . 1 106 106 HIS C C 13 175.934 0.000 . . . . . . . 126 HIS C . 51382 1 459 . 1 . 1 106 106 HIS CA C 13 59.138 0.000 . . . . . . . 126 HIS CA . 51382 1 460 . 1 . 1 106 106 HIS CB C 13 31.255 0.000 . . . . . . . 126 HIS CB . 51382 1 461 . 1 . 1 106 106 HIS N N 15 129.474 0.000 . . . . . . . 126 HIS N . 51382 1 462 . 1 . 1 107 107 VAL H H 1 7.300 0.000 . . . . . . . 127 VAL H . 51382 1 463 . 1 . 1 107 107 VAL C C 13 170.817 0.000 . . . . . . . 127 VAL C . 51382 1 464 . 1 . 1 107 107 VAL CA C 13 60.663 0.000 . . . . . . . 127 VAL CA . 51382 1 465 . 1 . 1 107 107 VAL CB C 13 34.118 0.000 . . . . . . . 127 VAL CB . 51382 1 466 . 1 . 1 107 107 VAL N N 15 114.859 0.000 . . . . . . . 127 VAL N . 51382 1 467 . 1 . 1 108 108 ALA H H 1 8.418 0.000 . . . . . . . 128 ALA H . 51382 1 468 . 1 . 1 108 108 ALA C C 13 174.589 0.000 . . . . . . . 128 ALA C . 51382 1 469 . 1 . 1 108 108 ALA CA C 13 49.959 0.000 . . . . . . . 128 ALA CA . 51382 1 470 . 1 . 1 108 108 ALA CB C 13 19.652 0.000 . . . . . . . 128 ALA CB . 51382 1 471 . 1 . 1 108 108 ALA N N 15 129.008 0.000 . . . . . . . 128 ALA N . 51382 1 472 . 1 . 1 109 109 LEU H H 1 9.209 0.000 . . . . . . . 129 LEU H . 51382 1 473 . 1 . 1 109 109 LEU C C 13 174.620 0.000 . . . . . . . 129 LEU C . 51382 1 474 . 1 . 1 109 109 LEU CA C 13 52.730 0.000 . . . . . . . 129 LEU CA . 51382 1 475 . 1 . 1 109 109 LEU CB C 13 43.032 0.000 . . . . . . . 129 LEU CB . 51382 1 476 . 1 . 1 109 109 LEU N N 15 124.704 0.000 . . . . . . . 129 LEU N . 51382 1 477 . 1 . 1 110 110 ILE H H 1 8.779 0.000 . . . . . . . 130 ILE H . 51382 1 478 . 1 . 1 110 110 ILE C C 13 175.517 0.000 . . . . . . . 130 ILE C . 51382 1 479 . 1 . 1 110 110 ILE CA C 13 59.484 0.000 . . . . . . . 130 ILE CA . 51382 1 480 . 1 . 1 110 110 ILE CB C 13 39.106 0.000 . . . . . . . 130 ILE CB . 51382 1 481 . 1 . 1 110 110 ILE N N 15 125.243 0.000 . . . . . . . 130 ILE N . 51382 1 482 . 1 . 1 111 111 ILE H H 1 8.728 0.000 . . . . . . . 131 ILE H . 51382 1 483 . 1 . 1 111 111 ILE C C 13 175.640 0.000 . . . . . . . 131 ILE C . 51382 1 484 . 1 . 1 111 111 ILE CA C 13 58.849 0.000 . . . . . . . 131 ILE CA . 51382 1 485 . 1 . 1 111 111 ILE CB C 13 35.642 0.000 . . . . . . . 131 ILE CB . 51382 1 486 . 1 . 1 111 111 ILE N N 15 126.911 0.000 . . . . . . . 131 ILE N . 51382 1 487 . 1 . 1 112 112 LYS H H 1 8.066 0.000 . . . . . . . 132 LYS H . 51382 1 488 . 1 . 1 112 112 LYS C C 13 173.754 0.000 . . . . . . . 132 LYS C . 51382 1 489 . 1 . 1 112 112 LYS CA C 13 52.672 0.000 . . . . . . . 132 LYS CA . 51382 1 490 . 1 . 1 112 112 LYS CB C 13 33.160 0.000 . . . . . . . 132 LYS CB . 51382 1 491 . 1 . 1 112 112 LYS N N 15 125.035 0.000 . . . . . . . 132 LYS N . 51382 1 492 . 1 . 1 113 113 PRO C C 13 176.507 0.000 . . . . . . . 133 PRO C . 51382 1 493 . 1 . 1 113 113 PRO CA C 13 62.830 0.000 . . . . . . . 133 PRO CA . 51382 1 494 . 1 . 1 113 113 PRO CB C 13 32.745 0.000 . . . . . . . 133 PRO CB . 51382 1 495 . 1 . 1 114 114 ASP H H 1 8.401 0.000 . . . . . . . 134 ASP H . 51382 1 496 . 1 . 1 114 114 ASP C C 13 176.738 0.000 . . . . . . . 134 ASP C . 51382 1 497 . 1 . 1 114 114 ASP CA C 13 55.905 0.000 . . . . . . . 134 ASP CA . 51382 1 498 . 1 . 1 114 114 ASP CB C 13 41.011 0.000 . . . . . . . 134 ASP CB . 51382 1 499 . 1 . 1 114 114 ASP N N 15 120.130 0.000 . . . . . . . 134 ASP N . 51382 1 500 . 1 . 1 115 115 ASN H H 1 8.124 0.000 . . . . . . . 135 ASN H . 51382 1 501 . 1 . 1 115 115 ASN C C 13 175.207 0.000 . . . . . . . 135 ASN C . 51382 1 502 . 1 . 1 115 115 ASN CA C 13 52.971 0.000 . . . . . . . 135 ASN CA . 51382 1 503 . 1 . 1 115 115 ASN CB C 13 37.993 0.000 . . . . . . . 135 ASN CB . 51382 1 504 . 1 . 1 115 115 ASN N N 15 115.947 0.000 . . . . . . . 135 ASN N . 51382 1 505 . 1 . 1 116 116 PHE H H 1 7.680 0.000 . . . . . . . 136 PHE H . 51382 1 506 . 1 . 1 116 116 PHE C C 13 175.501 0.000 . . . . . . . 136 PHE C . 51382 1 507 . 1 . 1 116 116 PHE CA C 13 58.734 0.000 . . . . . . . 136 PHE CA . 51382 1 508 . 1 . 1 116 116 PHE CB C 13 39.857 0.000 . . . . . . . 136 PHE CB . 51382 1 509 . 1 . 1 116 116 PHE N N 15 120.559 0.000 . . . . . . . 136 PHE N . 51382 1 510 . 1 . 1 117 117 TRP H H 1 7.646 0.000 . . . . . . . 137 TRP H . 51382 1 511 . 1 . 1 117 117 TRP C C 13 176.011 0.000 . . . . . . . 137 TRP C . 51382 1 512 . 1 . 1 117 117 TRP CA C 13 57.233 0.000 . . . . . . . 137 TRP CA . 51382 1 513 . 1 . 1 117 117 TRP CB C 13 29.465 0.000 . . . . . . . 137 TRP CB . 51382 1 514 . 1 . 1 117 117 TRP N N 15 123.563 0.000 . . . . . . . 137 TRP N . 51382 1 515 . 1 . 1 118 118 GLN H H 1 7.527 0.000 . . . . . . . 138 GLN H . 51382 1 516 . 1 . 1 118 118 GLN C C 13 176.058 0.000 . . . . . . . 138 GLN C . 51382 1 517 . 1 . 1 118 118 GLN CA C 13 56.425 0.000 . . . . . . . 138 GLN CA . 51382 1 518 . 1 . 1 118 118 GLN CB C 13 29.434 0.000 . . . . . . . 138 GLN CB . 51382 1 519 . 1 . 1 118 118 GLN N N 15 121.626 0.000 . . . . . . . 138 GLN N . 51382 1 520 . 1 . 1 119 119 LYS H H 1 7.752 0.000 . . . . . . . 139 LYS H . 51382 1 521 . 1 . 1 119 119 LYS C C 13 177.001 0.000 . . . . . . . 139 LYS C . 51382 1 522 . 1 . 1 119 119 LYS CA C 13 57.117 0.000 . . . . . . . 139 LYS CA . 51382 1 523 . 1 . 1 119 119 LYS CB C 13 32.814 0.000 . . . . . . . 139 LYS CB . 51382 1 524 . 1 . 1 119 119 LYS N N 15 121.295 0.000 . . . . . . . 139 LYS N . 51382 1 525 . 1 . 1 120 120 GLN H H 1 7.815 0.000 . . . . . . . 140 GLN H . 51382 1 526 . 1 . 1 120 120 GLN C C 13 176.197 0.000 . . . . . . . 140 GLN C . 51382 1 527 . 1 . 1 120 120 GLN CA C 13 56.136 0.000 . . . . . . . 140 GLN CA . 51382 1 528 . 1 . 1 120 120 GLN CB C 13 29.408 0.000 . . . . . . . 140 GLN CB . 51382 1 529 . 1 . 1 120 120 GLN N N 15 119.634 0.000 . . . . . . . 140 GLN N . 51382 1 530 . 1 . 1 122 122 THR H H 1 7.775 0.000 . . . . . . . 142 THR H . 51382 1 531 . 1 . 1 122 122 THR C C 13 174.373 0.000 . . . . . . . 142 THR C . 51382 1 532 . 1 . 1 122 122 THR CA C 13 61.935 0.000 . . . . . . . 142 THR CA . 51382 1 533 . 1 . 1 122 122 THR CB C 13 69.974 0.000 . . . . . . . 142 THR CB . 51382 1 534 . 1 . 1 122 122 THR N N 15 114.469 0.000 . . . . . . . 142 THR N . 51382 1 535 . 1 . 1 128 128 LYS H H 1 7.722 0.000 . . . . . . . 148 LYS H . 51382 1 536 . 1 . 1 128 128 LYS C C 13 175.393 0.000 . . . . . . . 148 LYS C . 51382 1 537 . 1 . 1 128 128 LYS CA C 13 55.501 0.000 . . . . . . . 148 LYS CA . 51382 1 538 . 1 . 1 128 128 LYS CB C 13 33.506 0.000 . . . . . . . 148 LYS CB . 51382 1 539 . 1 . 1 128 128 LYS N N 15 123.330 0.000 . . . . . . . 148 LYS N . 51382 1 540 . 1 . 1 129 129 PHE H H 1 8.066 0.000 . . . . . . . 149 PHE H . 51382 1 541 . 1 . 1 129 129 PHE C C 13 176.429 0.000 . . . . . . . 149 PHE C . 51382 1 542 . 1 . 1 129 129 PHE CA C 13 56.655 0.000 . . . . . . . 149 PHE CA . 51382 1 543 . 1 . 1 129 129 PHE CB C 13 40.838 0.000 . . . . . . . 149 PHE CB . 51382 1 544 . 1 . 1 129 129 PHE N N 15 122.129 0.000 . . . . . . . 149 PHE N . 51382 1 545 . 1 . 1 130 130 ILE H H 1 8.081 0.000 . . . . . . . 150 ILE H . 51382 1 546 . 1 . 1 130 130 ILE C C 13 175.006 0.000 . . . . . . . 150 ILE C . 51382 1 547 . 1 . 1 130 130 ILE CA C 13 62.976 0.000 . . . . . . . 150 ILE CA . 51382 1 548 . 1 . 1 130 130 ILE CB C 13 38.166 0.000 . . . . . . . 150 ILE CB . 51382 1 549 . 1 . 1 130 130 ILE N N 15 115.265 0.000 . . . . . . . 150 ILE N . 51382 1 550 . 1 . 1 131 131 PHE H H 1 5.980 0.000 . . . . . . . 151 PHE H . 51382 1 551 . 1 . 1 131 131 PHE C C 13 174.651 0.000 . . . . . . . 151 PHE C . 51382 1 552 . 1 . 1 131 131 PHE CA C 13 52.219 0.000 . . . . . . . 151 PHE CA . 51382 1 553 . 1 . 1 131 131 PHE CB C 13 41.521 0.000 . . . . . . . 151 PHE CB . 51382 1 554 . 1 . 1 131 131 PHE N N 15 116.249 0.000 . . . . . . . 151 PHE N . 51382 1 555 . 1 . 1 132 132 GLU H H 1 8.316 0.000 . . . . . . . 152 GLU H . 51382 1 556 . 1 . 1 132 132 GLU C C 13 175.795 0.000 . . . . . . . 152 GLU C . 51382 1 557 . 1 . 1 132 132 GLU CA C 13 57.117 0.000 . . . . . . . 152 GLU CA . 51382 1 558 . 1 . 1 132 132 GLU CB C 13 30.389 0.000 . . . . . . . 152 GLU CB . 51382 1 559 . 1 . 1 132 132 GLU N N 15 121.663 0.000 . . . . . . . 152 GLU N . 51382 1 560 . 1 . 1 133 133 THR H H 1 7.983 0.000 . . . . . . . 153 THR H . 51382 1 561 . 1 . 1 133 133 THR C C 13 174.960 0.000 . . . . . . . 153 THR C . 51382 1 562 . 1 . 1 133 133 THR CA C 13 59.506 0.000 . . . . . . . 153 THR CA . 51382 1 563 . 1 . 1 133 133 THR CB C 13 71.824 0.000 . . . . . . . 153 THR CB . 51382 1 564 . 1 . 1 133 133 THR N N 15 115.161 0.000 . . . . . . . 153 THR N . 51382 1 565 . 1 . 1 134 134 SER H H 1 8.495 0.000 . . . . . . . 154 SER H . 51382 1 566 . 1 . 1 134 134 SER C C 13 172.919 0.000 . . . . . . . 154 SER C . 51382 1 567 . 1 . 1 134 134 SER CA C 13 57.308 0.000 . . . . . . . 154 SER CA . 51382 1 568 . 1 . 1 134 134 SER CB C 13 65.636 0.000 . . . . . . . 154 SER CB . 51382 1 569 . 1 . 1 134 134 SER N N 15 117.630 0.000 . . . . . . . 154 SER N . 51382 1 570 . 1 . 1 135 135 MET H H 1 8.483 0.000 . . . . . . . 155 MET H . 51382 1 571 . 1 . 1 135 135 MET C C 13 176.274 0.000 . . . . . . . 155 MET C . 51382 1 572 . 1 . 1 135 135 MET CA C 13 54.519 0.000 . . . . . . . 155 MET CA . 51382 1 573 . 1 . 1 135 135 MET CB C 13 33.351 0.000 . . . . . . . 155 MET CB . 51382 1 574 . 1 . 1 135 135 MET N N 15 126.592 0.000 . . . . . . . 155 MET N . 51382 1 575 . 1 . 1 136 136 VAL H H 1 8.793 0.000 . . . . . . . 156 VAL H . 51382 1 576 . 1 . 1 136 136 VAL C C 13 174.852 0.000 . . . . . . . 156 VAL C . 51382 1 577 . 1 . 1 136 136 VAL CA C 13 59.048 0.000 . . . . . . . 156 VAL CA . 51382 1 578 . 1 . 1 136 136 VAL CB C 13 36.927 0.000 . . . . . . . 156 VAL CB . 51382 1 579 . 1 . 1 136 136 VAL N N 15 119.291 0.000 . . . . . . . 156 VAL N . 51382 1 580 . 1 . 1 137 137 SER H H 1 8.229 0.000 . . . . . . . 157 SER H . 51382 1 581 . 1 . 1 137 137 SER C C 13 176.027 0.000 . . . . . . . 157 SER C . 51382 1 582 . 1 . 1 137 137 SER CA C 13 56.557 0.000 . . . . . . . 157 SER CA . 51382 1 583 . 1 . 1 137 137 SER CB C 13 65.983 0.000 . . . . . . . 157 SER CB . 51382 1 584 . 1 . 1 137 137 SER N N 15 116.896 0.000 . . . . . . . 157 SER N . 51382 1 585 . 1 . 1 138 138 VAL H H 1 9.063 0.000 . . . . . . . 158 VAL H . 51382 1 586 . 1 . 1 138 138 VAL C C 13 178.114 0.000 . . . . . . . 158 VAL C . 51382 1 587 . 1 . 1 138 138 VAL CA C 13 67.327 0.000 . . . . . . . 158 VAL CA . 51382 1 588 . 1 . 1 138 138 VAL CB C 13 31.601 0.000 . . . . . . . 158 VAL CB . 51382 1 589 . 1 . 1 138 138 VAL N N 15 121.749 0.000 . . . . . . . 158 VAL N . 51382 1 590 . 1 . 1 139 139 GLU H H 1 8.253 0.000 . . . . . . . 159 GLU H . 51382 1 591 . 1 . 1 139 139 GLU C C 13 179.845 0.000 . . . . . . . 159 GLU C . 51382 1 592 . 1 . 1 139 139 GLU CA C 13 59.715 0.000 . . . . . . . 159 GLU CA . 51382 1 593 . 1 . 1 139 139 GLU CB C 13 29.061 0.000 . . . . . . . 159 GLU CB . 51382 1 594 . 1 . 1 139 139 GLU N N 15 121.135 0.000 . . . . . . . 159 GLU N . 51382 1 595 . 1 . 1 140 140 GLY H H 1 7.951 0.000 . . . . . . . 160 GLY H . 51382 1 596 . 1 . 1 140 140 GLY C C 13 177.201 0.000 . . . . . . . 160 GLY C . 51382 1 597 . 1 . 1 140 140 GLY CA C 13 46.783 0.000 . . . . . . . 160 GLY CA . 51382 1 598 . 1 . 1 140 140 GLY N N 15 109.759 0.000 . . . . . . . 160 GLY N . 51382 1 599 . 1 . 1 141 141 LEU H H 1 8.036 0.000 . . . . . . . 161 LEU H . 51382 1 600 . 1 . 1 141 141 LEU C C 13 178.871 0.000 . . . . . . . 161 LEU C . 51382 1 601 . 1 . 1 141 141 LEU CA C 13 58.214 0.000 . . . . . . . 161 LEU CA . 51382 1 602 . 1 . 1 141 141 LEU CB C 13 42.281 0.000 . . . . . . . 161 LEU CB . 51382 1 603 . 1 . 1 141 141 LEU N N 15 123.882 0.000 . . . . . . . 161 LEU N . 51382 1 604 . 1 . 1 142 142 THR H H 1 7.457 0.000 . . . . . . . 162 THR H . 51382 1 605 . 1 . 1 142 142 THR C C 13 175.702 0.000 . . . . . . . 162 THR C . 51382 1 606 . 1 . 1 142 142 THR CA C 13 63.612 0.000 . . . . . . . 162 THR CA . 51382 1 607 . 1 . 1 142 142 THR CB C 13 69.280 0.000 . . . . . . . 162 THR CB . 51382 1 608 . 1 . 1 142 142 THR N N 15 108.104 0.000 . . . . . . . 162 THR N . 51382 1 609 . 1 . 1 143 143 LYS H H 1 7.094 0.000 . . . . . . . 163 LYS H . 51382 1 610 . 1 . 1 143 143 LYS C C 13 178.021 0.000 . . . . . . . 163 LYS C . 51382 1 611 . 1 . 1 143 143 LYS CA C 13 57.973 0.000 . . . . . . . 163 LYS CA . 51382 1 612 . 1 . 1 143 143 LYS CB C 13 32.463 0.000 . . . . . . . 163 LYS CB . 51382 1 613 . 1 . 1 143 143 LYS N N 15 119.026 0.000 . . . . . . . 163 LYS N . 51382 1 614 . 1 . 1 144 144 LEU H H 1 7.319 0.000 . . . . . . . 164 LEU H . 51382 1 615 . 1 . 1 144 144 LEU C C 13 176.676 0.000 . . . . . . . 164 LEU C . 51382 1 616 . 1 . 1 144 144 LEU CA C 13 55.747 0.000 . . . . . . . 164 LEU CA . 51382 1 617 . 1 . 1 144 144 LEU CB C 13 44.412 0.000 . . . . . . . 164 LEU CB . 51382 1 618 . 1 . 1 144 144 LEU N N 15 118.266 0.000 . . . . . . . 164 LEU N . 51382 1 619 . 1 . 1 145 145 VAL H H 1 7.968 0.000 . . . . . . . 165 VAL H . 51382 1 620 . 1 . 1 145 145 VAL C C 13 173.090 0.000 . . . . . . . 165 VAL C . 51382 1 621 . 1 . 1 145 145 VAL CA C 13 61.562 0.000 . . . . . . . 165 VAL CA . 51382 1 622 . 1 . 1 145 145 VAL CB C 13 35.844 0.000 . . . . . . . 165 VAL CB . 51382 1 623 . 1 . 1 145 145 VAL N N 15 122.116 0.000 . . . . . . . 165 VAL N . 51382 1 624 . 1 . 1 146 146 ASP H H 1 8.978 0.000 . . . . . . . 166 ASP H . 51382 1 625 . 1 . 1 146 146 ASP C C 13 176.784 0.000 . . . . . . . 166 ASP C . 51382 1 626 . 1 . 1 146 146 ASP CA C 13 53.365 0.000 . . . . . . . 166 ASP CA . 51382 1 627 . 1 . 1 146 146 ASP CB C 13 43.493 0.000 . . . . . . . 166 ASP CB . 51382 1 628 . 1 . 1 146 146 ASP N N 15 126.249 0.000 . . . . . . . 166 ASP N . 51382 1 629 . 1 . 1 147 147 PRO C C 13 177.964 0.000 . . . . . . . 167 PRO C . 51382 1 630 . 1 . 1 147 147 PRO CA C 13 66.046 0.000 . . . . . . . 167 PRO CA . 51382 1 631 . 1 . 1 147 147 PRO CB C 13 31.982 0.000 . . . . . . . 167 PRO CB . 51382 1 632 . 1 . 1 148 148 SER H H 1 8.359 0.000 . . . . . . . 168 SER H . 51382 1 633 . 1 . 1 148 148 SER C C 13 174.604 0.000 . . . . . . . 168 SER C . 51382 1 634 . 1 . 1 148 148 SER CA C 13 60.431 0.000 . . . . . . . 168 SER CA . 51382 1 635 . 1 . 1 148 148 SER CB C 13 63.149 0.000 . . . . . . . 168 SER CB . 51382 1 636 . 1 . 1 148 148 SER N N 15 113.277 0.000 . . . . . . . 168 SER N . 51382 1 637 . 1 . 1 149 149 GLN H H 1 8.164 0.000 . . . . . . . 169 GLN H . 51382 1 638 . 1 . 1 149 149 GLN C C 13 174.759 0.000 . . . . . . . 169 GLN C . 51382 1 639 . 1 . 1 149 149 GLN CA C 13 54.058 0.000 . . . . . . . 169 GLN CA . 51382 1 640 . 1 . 1 149 149 GLN CB C 13 30.561 0.000 . . . . . . . 169 GLN CB . 51382 1 641 . 1 . 1 149 149 GLN N N 15 118.793 0.000 . . . . . . . 169 GLN N . 51382 1 642 . 1 . 1 150 150 LEU H H 1 7.109 0.000 . . . . . . . 170 LEU H . 51382 1 643 . 1 . 1 150 150 LEU C C 13 175.439 0.000 . . . . . . . 170 LEU C . 51382 1 644 . 1 . 1 150 150 LEU CA C 13 52.793 0.000 . . . . . . . 170 LEU CA . 51382 1 645 . 1 . 1 150 150 LEU CB C 13 45.606 0.000 . . . . . . . 170 LEU CB . 51382 1 646 . 1 . 1 150 150 LEU N N 15 119.010 0.000 . . . . . . . 170 LEU N . 51382 1 647 . 1 . 1 151 151 THR H H 1 6.307 0.000 . . . . . . . 171 THR H . 51382 1 648 . 1 . 1 151 151 THR C C 13 177.743 0.000 . . . . . . . 171 THR C . 51382 1 649 . 1 . 1 151 151 THR CA C 13 61.183 0.000 . . . . . . . 171 THR CA . 51382 1 650 . 1 . 1 151 151 THR CB C 13 70.320 0.000 . . . . . . . 171 THR CB . 51382 1 651 . 1 . 1 151 151 THR N N 15 106.990 0.000 . . . . . . . 171 THR N . 51382 1 652 . 1 . 1 152 152 GLU H H 1 8.987 0.000 . . . . . . . 172 GLU H . 51382 1 653 . 1 . 1 152 152 GLU C C 13 178.098 0.000 . . . . . . . 172 GLU C . 51382 1 654 . 1 . 1 152 152 GLU CA C 13 59.426 0.000 . . . . . . . 172 GLU CA . 51382 1 655 . 1 . 1 152 152 GLU CB C 13 29.408 0.000 . . . . . . . 172 GLU CB . 51382 1 656 . 1 . 1 152 152 GLU N N 15 121.172 0.000 . . . . . . . 172 GLU N . 51382 1 657 . 1 . 1 153 153 GLU H H 1 10.053 0.000 . . . . . . . 173 GLU H . 51382 1 658 . 1 . 1 153 153 GLU C C 13 177.186 0.000 . . . . . . . 173 GLU C . 51382 1 659 . 1 . 1 153 153 GLU CA C 13 59.773 0.000 . . . . . . . 173 GLU CA . 51382 1 660 . 1 . 1 153 153 GLU CB C 13 28.195 0.000 . . . . . . . 173 GLU CB . 51382 1 661 . 1 . 1 153 153 GLU N N 15 123.858 0.000 . . . . . . . 173 GLU N . 51382 1 662 . 1 . 1 154 154 PHE H H 1 7.241 0.000 . . . . . . . 174 PHE H . 51382 1 663 . 1 . 1 154 154 PHE C C 13 173.522 0.000 . . . . . . . 174 PHE C . 51382 1 664 . 1 . 1 154 154 PHE CA C 13 54.764 0.000 . . . . . . . 174 PHE CA . 51382 1 665 . 1 . 1 154 154 PHE CB C 13 39.959 0.000 . . . . . . . 174 PHE CB . 51382 1 666 . 1 . 1 154 154 PHE N N 15 116.913 0.000 . . . . . . . 174 PHE N . 51382 1 667 . 1 . 1 155 155 ASP H H 1 7.671 0.000 . . . . . . . 175 ASP H . 51382 1 668 . 1 . 1 155 155 ASP C C 13 175.764 0.000 . . . . . . . 175 ASP C . 51382 1 669 . 1 . 1 155 155 ASP CA C 13 55.921 0.000 . . . . . . . 175 ASP CA . 51382 1 670 . 1 . 1 155 155 ASP CB C 13 38.802 0.000 . . . . . . . 175 ASP CB . 51382 1 671 . 1 . 1 155 155 ASP N N 15 113.630 0.000 . . . . . . . 175 ASP N . 51382 1 672 . 1 . 1 156 156 GLY H H 1 6.992 0.000 . . . . . . . 176 GLY H . 51382 1 673 . 1 . 1 156 156 GLY C C 13 174.774 0.000 . . . . . . . 176 GLY C . 51382 1 674 . 1 . 1 156 156 GLY CA C 13 44.643 0.000 . . . . . . . 176 GLY CA . 51382 1 675 . 1 . 1 156 156 GLY N N 15 103.873 0.000 . . . . . . . 176 GLY N . 51382 1 676 . 1 . 1 157 157 SER H H 1 7.704 0.000 . . . . . . . 177 SER H . 51382 1 677 . 1 . 1 157 157 SER C C 13 174.713 0.000 . . . . . . . 177 SER C . 51382 1 678 . 1 . 1 157 157 SER CA C 13 57.142 0.000 . . . . . . . 177 SER CA . 51382 1 679 . 1 . 1 157 157 SER CB C 13 64.364 0.000 . . . . . . . 177 SER CB . 51382 1 680 . 1 . 1 157 157 SER N N 15 110.373 0.000 . . . . . . . 177 SER N . 51382 1 681 . 1 . 1 158 158 LEU H H 1 8.342 0.000 . . . . . . . 178 LEU H . 51382 1 682 . 1 . 1 158 158 LEU C C 13 176.552 0.000 . . . . . . . 178 LEU C . 51382 1 683 . 1 . 1 158 158 LEU CA C 13 56.078 0.000 . . . . . . . 178 LEU CA . 51382 1 684 . 1 . 1 158 158 LEU CB C 13 41.300 0.000 . . . . . . . 178 LEU CB . 51382 1 685 . 1 . 1 158 158 LEU N N 15 126.825 0.000 . . . . . . . 178 LEU N . 51382 1 686 . 1 . 1 159 159 ASP H H 1 8.444 0.000 . . . . . . . 179 ASP H . 51382 1 687 . 1 . 1 159 159 ASP C C 13 175.176 0.000 . . . . . . . 179 ASP C . 51382 1 688 . 1 . 1 159 159 ASP CA C 13 54.462 0.000 . . . . . . . 179 ASP CA . 51382 1 689 . 1 . 1 159 159 ASP CB C 13 41.253 0.000 . . . . . . . 179 ASP CB . 51382 1 690 . 1 . 1 159 159 ASP N N 15 129.572 0.000 . . . . . . . 179 ASP N . 51382 1 691 . 1 . 1 160 160 TYR H H 1 7.798 0.000 . . . . . . . 180 TYR H . 51382 1 692 . 1 . 1 160 160 TYR C C 13 172.935 0.000 . . . . . . . 180 TYR C . 51382 1 693 . 1 . 1 160 160 TYR CA C 13 58.503 0.000 . . . . . . . 180 TYR CA . 51382 1 694 . 1 . 1 160 160 TYR CB C 13 40.704 0.000 . . . . . . . 180 TYR CB . 51382 1 695 . 1 . 1 160 160 TYR N N 15 124.189 0.000 . . . . . . . 180 TYR N . 51382 1 696 . 1 . 1 161 161 ASN H H 1 8.036 0.000 . . . . . . . 181 ASN H . 51382 1 697 . 1 . 1 161 161 ASN C C 13 174.311 0.000 . . . . . . . 181 ASN C . 51382 1 698 . 1 . 1 161 161 ASN CA C 13 51.229 0.000 . . . . . . . 181 ASN CA . 51382 1 699 . 1 . 1 161 161 ASN CB C 13 38.991 0.000 . . . . . . . 181 ASN CB . 51382 1 700 . 1 . 1 161 161 ASN N N 15 129.228 0.000 . . . . . . . 181 ASN N . 51382 1 701 . 1 . 1 162 162 HIS H H 1 8.367 0.000 . . . . . . . 182 HIS H . 51382 1 702 . 1 . 1 162 162 HIS C C 13 176.354 0.000 . . . . . . . 182 HIS C . 51382 1 703 . 1 . 1 162 162 HIS CA C 13 59.715 0.000 . . . . . . . 182 HIS CA . 51382 1 704 . 1 . 1 162 162 HIS CB C 13 32.352 0.000 . . . . . . . 182 HIS CB . 51382 1 705 . 1 . 1 162 162 HIS N N 15 127.181 0.000 . . . . . . . 182 HIS N . 51382 1 706 . 1 . 1 163 163 GLU H H 1 8.081 0.000 . . . . . . . 183 GLU H . 51382 1 707 . 1 . 1 163 163 GLU C C 13 179.984 0.000 . . . . . . . 183 GLU C . 51382 1 708 . 1 . 1 163 163 GLU CA C 13 60.836 0.000 . . . . . . . 183 GLU CA . 51382 1 709 . 1 . 1 163 163 GLU CB C 13 28.971 0.000 . . . . . . . 183 GLU CB . 51382 1 710 . 1 . 1 163 163 GLU N N 15 117.008 0.000 . . . . . . . 183 GLU N . 51382 1 711 . 1 . 1 164 164 GLU H H 1 7.497 0.000 . . . . . . . 184 GLU H . 51382 1 712 . 1 . 1 164 164 GLU C C 13 178.562 0.000 . . . . . . . 184 GLU C . 51382 1 713 . 1 . 1 164 164 GLU CA C 13 58.965 0.000 . . . . . . . 184 GLU CA . 51382 1 714 . 1 . 1 164 164 GLU CB C 13 30.043 0.000 . . . . . . . 184 GLU CB . 51382 1 715 . 1 . 1 164 164 GLU N N 15 120.473 0.000 . . . . . . . 184 GLU N . 51382 1 716 . 1 . 1 165 165 TRP H H 1 8.023 0.000 . . . . . . . 185 TRP H . 51382 1 717 . 1 . 1 165 165 TRP C C 13 178.825 0.000 . . . . . . . 185 TRP C . 51382 1 718 . 1 . 1 165 165 TRP CA C 13 62.717 0.000 . . . . . . . 185 TRP CA . 51382 1 719 . 1 . 1 165 165 TRP CB C 13 28.600 0.000 . . . . . . . 185 TRP CB . 51382 1 720 . 1 . 1 165 165 TRP N N 15 122.828 0.000 . . . . . . . 185 TRP N . 51382 1 721 . 1 . 1 166 166 ILE H H 1 8.202 0.000 . . . . . . . 186 ILE H . 51382 1 722 . 1 . 1 166 166 ILE C C 13 177.480 0.000 . . . . . . . 186 ILE C . 51382 1 723 . 1 . 1 166 166 ILE CA C 13 66.561 0.000 . . . . . . . 186 ILE CA . 51382 1 724 . 1 . 1 166 166 ILE CB C 13 38.166 0.000 . . . . . . . 186 ILE CB . 51382 1 725 . 1 . 1 166 166 ILE N N 15 118.401 0.000 . . . . . . . 186 ILE N . 51382 1 726 . 1 . 1 167 167 GLU H H 1 7.192 0.000 . . . . . . . 187 GLU H . 51382 1 727 . 1 . 1 167 167 GLU C C 13 179.984 0.000 . . . . . . . 187 GLU C . 51382 1 728 . 1 . 1 167 167 GLU CA C 13 59.622 0.000 . . . . . . . 187 GLU CA . 51382 1 729 . 1 . 1 167 167 GLU CB C 13 29.260 0.000 . . . . . . . 187 GLU CB . 51382 1 730 . 1 . 1 167 167 GLU N N 15 117.500 0.000 . . . . . . . 187 GLU N . 51382 1 731 . 1 . 1 168 168 LEU H H 1 7.633 0.000 . . . . . . . 188 LEU H . 51382 1 732 . 1 . 1 168 168 LEU C C 13 180.602 0.000 . . . . . . . 188 LEU C . 51382 1 733 . 1 . 1 168 168 LEU CA C 13 57.752 0.000 . . . . . . . 188 LEU CA . 51382 1 734 . 1 . 1 168 168 LEU CB C 13 41.531 0.000 . . . . . . . 188 LEU CB . 51382 1 735 . 1 . 1 168 168 LEU N N 15 119.701 0.000 . . . . . . . 188 LEU N . 51382 1 736 . 1 . 1 169 169 ARG H H 1 7.688 0.000 . . . . . . . 189 ARG H . 51382 1 737 . 1 . 1 169 169 ARG C C 13 179.443 0.000 . . . . . . . 189 ARG C . 51382 1 738 . 1 . 1 169 169 ARG CA C 13 56.557 0.000 . . . . . . . 189 ARG CA . 51382 1 739 . 1 . 1 169 169 ARG CB C 13 28.219 0.000 . . . . . . . 189 ARG CB . 51382 1 740 . 1 . 1 169 169 ARG N N 15 118.536 0.000 . . . . . . . 189 ARG N . 51382 1 741 . 1 . 1 170 170 LEU H H 1 7.849 0.000 . . . . . . . 190 LEU H . 51382 1 742 . 1 . 1 170 170 LEU C C 13 177.882 0.000 . . . . . . . 190 LEU C . 51382 1 743 . 1 . 1 170 170 LEU CA C 13 56.557 0.000 . . . . . . . 190 LEU CA . 51382 1 744 . 1 . 1 170 170 LEU CB C 13 42.339 0.000 . . . . . . . 190 LEU CB . 51382 1 745 . 1 . 1 170 170 LEU N N 15 119.652 0.000 . . . . . . . 190 LEU N . 51382 1 746 . 1 . 1 171 171 SER H H 1 7.313 0.000 . . . . . . . 191 SER H . 51382 1 747 . 1 . 1 171 171 SER C C 13 173.692 0.000 . . . . . . . 191 SER C . 51382 1 748 . 1 . 1 171 171 SER CA C 13 58.928 0.000 . . . . . . . 191 SER CA . 51382 1 749 . 1 . 1 171 171 SER CB C 13 64.306 0.000 . . . . . . . 191 SER CB . 51382 1 750 . 1 . 1 171 171 SER N N 15 114.142 0.000 . . . . . . . 191 SER N . 51382 1 751 . 1 . 1 172 172 LEU H H 1 6.924 0.000 . . . . . . . 192 LEU H . 51382 1 752 . 1 . 1 172 172 LEU C C 13 182.859 0.000 . . . . . . . 192 LEU C . 51382 1 753 . 1 . 1 172 172 LEU CA C 13 57.117 0.000 . . . . . . . 192 LEU CA . 51382 1 754 . 1 . 1 172 172 LEU CB C 13 43.205 0.000 . . . . . . . 192 LEU CB . 51382 1 755 . 1 . 1 172 172 LEU N N 15 128.456 0.000 . . . . . . . 192 LEU N . 51382 1 stop_ save_