data_30637 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30637 _Entry.Title ; Structural Basis for Client Recognition and Activity of Hsp40 Chaperones ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-07-10 _Entry.Accession_date 2019-07-10 _Entry.Last_release_date 2019-08-07 _Entry.Original_release_date 2019-08-07 _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30637 stop_ 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 Y. Jiang Y. . . . 30637 2 P. Rossi P. . . . 30637 3 C. Kalodimos C. G. . . 30637 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CHAPERONE . 30637 'Client Recognition' . 30637 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30637 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 311 30637 '15N chemical shifts' 132 30637 '1H chemical shifts' 426 30637 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 . . 2021-10-16 2019-07-10 update BMRB 'update entry citation' 30637 1 . . 2019-09-11 2019-07-10 original author 'original release' 30637 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6PRQ . 30637 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30637 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31604242 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis for client recognition and activity of Hsp40 chaperones ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full 'Science (New York, N.Y.)' _Citation.Journal_volume 365 _Citation.Journal_issue 6459 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1095-9203 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1313 _Citation.Page_last 1319 _Citation.Year 2019 _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 Y. Jiang Y. . . . 30637 1 2 P. Rossi P. . . . 30637 1 3 C. Kalodimos C. G. . . 30637 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30637 _Assembly.ID 1 _Assembly.Name 'Alkaline phosphatase,Chaperone protein DnaJ 2 (E.C.3.1.3.1)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30637 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30637 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AALVAHVTSGSGGSGGSGGS GRDLRAELPLTLEEAFHGGE RVVEVAGRRVSVRIPPGVRE GSVIRVPGMGGQGNPPGDLL LVVRLLPHPVFRLEGQDLYA TLDVPAPIAVVGGKVRAMTL EGPVEVAVPPRTQAGRKLRL KGKGFPGPAGRGDLYLEVRI T ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 161 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.1.3.1 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16625.180 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID APase na 30637 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 96 ALA . 30637 1 2 97 ALA . 30637 1 3 98 LEU . 30637 1 4 99 VAL . 30637 1 5 100 ALA . 30637 1 6 101 HIS . 30637 1 7 102 VAL . 30637 1 8 103 THR . 30637 1 9 104 SER . 30637 1 10 105 GLY . 30637 1 11 106 SER . 30637 1 12 107 GLY . 30637 1 13 108 GLY . 30637 1 14 109 SER . 30637 1 15 110 GLY . 30637 1 16 111 GLY . 30637 1 17 112 SER . 30637 1 18 113 GLY . 30637 1 19 114 GLY . 30637 1 20 115 SER . 30637 1 21 116 GLY . 30637 1 22 117 ARG . 30637 1 23 118 ASP . 30637 1 24 119 LEU . 30637 1 25 120 ARG . 30637 1 26 121 ALA . 30637 1 27 122 GLU . 30637 1 28 123 LEU . 30637 1 29 124 PRO . 30637 1 30 125 LEU . 30637 1 31 126 THR . 30637 1 32 127 LEU . 30637 1 33 128 GLU . 30637 1 34 129 GLU . 30637 1 35 130 ALA . 30637 1 36 131 PHE . 30637 1 37 132 HIS . 30637 1 38 133 GLY . 30637 1 39 134 GLY . 30637 1 40 135 GLU . 30637 1 41 136 ARG . 30637 1 42 137 VAL . 30637 1 43 138 VAL . 30637 1 44 139 GLU . 30637 1 45 140 VAL . 30637 1 46 141 ALA . 30637 1 47 142 GLY . 30637 1 48 143 ARG . 30637 1 49 144 ARG . 30637 1 50 145 VAL . 30637 1 51 146 SER . 30637 1 52 147 VAL . 30637 1 53 148 ARG . 30637 1 54 149 ILE . 30637 1 55 150 PRO . 30637 1 56 151 PRO . 30637 1 57 152 GLY . 30637 1 58 153 VAL . 30637 1 59 154 ARG . 30637 1 60 155 GLU . 30637 1 61 156 GLY . 30637 1 62 157 SER . 30637 1 63 158 VAL . 30637 1 64 159 ILE . 30637 1 65 160 ARG . 30637 1 66 161 VAL . 30637 1 67 162 PRO . 30637 1 68 163 GLY . 30637 1 69 164 MET . 30637 1 70 165 GLY . 30637 1 71 166 GLY . 30637 1 72 167 GLN . 30637 1 73 168 GLY . 30637 1 74 169 ASN . 30637 1 75 170 PRO . 30637 1 76 171 PRO . 30637 1 77 172 GLY . 30637 1 78 173 ASP . 30637 1 79 174 LEU . 30637 1 80 175 LEU . 30637 1 81 176 LEU . 30637 1 82 177 VAL . 30637 1 83 178 VAL . 30637 1 84 179 ARG . 30637 1 85 180 LEU . 30637 1 86 181 LEU . 30637 1 87 182 PRO . 30637 1 88 183 HIS . 30637 1 89 184 PRO . 30637 1 90 185 VAL . 30637 1 91 186 PHE . 30637 1 92 187 ARG . 30637 1 93 188 LEU . 30637 1 94 189 GLU . 30637 1 95 190 GLY . 30637 1 96 191 GLN . 30637 1 97 192 ASP . 30637 1 98 193 LEU . 30637 1 99 194 TYR . 30637 1 100 195 ALA . 30637 1 101 196 THR . 30637 1 102 197 LEU . 30637 1 103 198 ASP . 30637 1 104 199 VAL . 30637 1 105 200 PRO . 30637 1 106 201 ALA . 30637 1 107 202 PRO . 30637 1 108 203 ILE . 30637 1 109 204 ALA . 30637 1 110 205 VAL . 30637 1 111 206 VAL . 30637 1 112 207 GLY . 30637 1 113 208 GLY . 30637 1 114 209 LYS . 30637 1 115 210 VAL . 30637 1 116 211 ARG . 30637 1 117 212 ALA . 30637 1 118 213 MET . 30637 1 119 214 THR . 30637 1 120 215 LEU . 30637 1 121 216 GLU . 30637 1 122 217 GLY . 30637 1 123 218 PRO . 30637 1 124 219 VAL . 30637 1 125 220 GLU . 30637 1 126 221 VAL . 30637 1 127 222 ALA . 30637 1 128 223 VAL . 30637 1 129 224 PRO . 30637 1 130 225 PRO . 30637 1 131 226 ARG . 30637 1 132 227 THR . 30637 1 133 228 GLN . 30637 1 134 229 ALA . 30637 1 135 230 GLY . 30637 1 136 231 ARG . 30637 1 137 232 LYS . 30637 1 138 233 LEU . 30637 1 139 234 ARG . 30637 1 140 235 LEU . 30637 1 141 236 LYS . 30637 1 142 237 GLY . 30637 1 143 238 LYS . 30637 1 144 239 GLY . 30637 1 145 240 PHE . 30637 1 146 241 PRO . 30637 1 147 242 GLY . 30637 1 148 243 PRO . 30637 1 149 244 ALA . 30637 1 150 245 GLY . 30637 1 151 246 ARG . 30637 1 152 247 GLY . 30637 1 153 248 ASP . 30637 1 154 249 LEU . 30637 1 155 250 TYR . 30637 1 156 251 LEU . 30637 1 157 252 GLU . 30637 1 158 253 VAL . 30637 1 159 254 ARG . 30637 1 160 255 ILE . 30637 1 161 256 THR . 30637 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 . ALA 1 1 30637 1 . ALA 2 2 30637 1 . LEU 3 3 30637 1 . VAL 4 4 30637 1 . ALA 5 5 30637 1 . HIS 6 6 30637 1 . VAL 7 7 30637 1 . THR 8 8 30637 1 . SER 9 9 30637 1 . GLY 10 10 30637 1 . SER 11 11 30637 1 . GLY 12 12 30637 1 . GLY 13 13 30637 1 . SER 14 14 30637 1 . GLY 15 15 30637 1 . GLY 16 16 30637 1 . SER 17 17 30637 1 . GLY 18 18 30637 1 . GLY 19 19 30637 1 . SER 20 20 30637 1 . GLY 21 21 30637 1 . ARG 22 22 30637 1 . ASP 23 23 30637 1 . LEU 24 24 30637 1 . ARG 25 25 30637 1 . ALA 26 26 30637 1 . GLU 27 27 30637 1 . LEU 28 28 30637 1 . PRO 29 29 30637 1 . LEU 30 30 30637 1 . THR 31 31 30637 1 . LEU 32 32 30637 1 . GLU 33 33 30637 1 . GLU 34 34 30637 1 . ALA 35 35 30637 1 . PHE 36 36 30637 1 . HIS 37 37 30637 1 . GLY 38 38 30637 1 . GLY 39 39 30637 1 . GLU 40 40 30637 1 . ARG 41 41 30637 1 . VAL 42 42 30637 1 . VAL 43 43 30637 1 . GLU 44 44 30637 1 . VAL 45 45 30637 1 . ALA 46 46 30637 1 . GLY 47 47 30637 1 . ARG 48 48 30637 1 . ARG 49 49 30637 1 . VAL 50 50 30637 1 . SER 51 51 30637 1 . VAL 52 52 30637 1 . ARG 53 53 30637 1 . ILE 54 54 30637 1 . PRO 55 55 30637 1 . PRO 56 56 30637 1 . GLY 57 57 30637 1 . VAL 58 58 30637 1 . ARG 59 59 30637 1 . GLU 60 60 30637 1 . GLY 61 61 30637 1 . SER 62 62 30637 1 . VAL 63 63 30637 1 . ILE 64 64 30637 1 . ARG 65 65 30637 1 . VAL 66 66 30637 1 . PRO 67 67 30637 1 . GLY 68 68 30637 1 . MET 69 69 30637 1 . GLY 70 70 30637 1 . GLY 71 71 30637 1 . GLN 72 72 30637 1 . GLY 73 73 30637 1 . ASN 74 74 30637 1 . PRO 75 75 30637 1 . PRO 76 76 30637 1 . GLY 77 77 30637 1 . ASP 78 78 30637 1 . LEU 79 79 30637 1 . LEU 80 80 30637 1 . LEU 81 81 30637 1 . VAL 82 82 30637 1 . VAL 83 83 30637 1 . ARG 84 84 30637 1 . LEU 85 85 30637 1 . LEU 86 86 30637 1 . PRO 87 87 30637 1 . HIS 88 88 30637 1 . PRO 89 89 30637 1 . VAL 90 90 30637 1 . PHE 91 91 30637 1 . ARG 92 92 30637 1 . LEU 93 93 30637 1 . GLU 94 94 30637 1 . GLY 95 95 30637 1 . GLN 96 96 30637 1 . ASP 97 97 30637 1 . LEU 98 98 30637 1 . TYR 99 99 30637 1 . ALA 100 100 30637 1 . THR 101 101 30637 1 . LEU 102 102 30637 1 . ASP 103 103 30637 1 . VAL 104 104 30637 1 . PRO 105 105 30637 1 . ALA 106 106 30637 1 . PRO 107 107 30637 1 . ILE 108 108 30637 1 . ALA 109 109 30637 1 . VAL 110 110 30637 1 . VAL 111 111 30637 1 . GLY 112 112 30637 1 . GLY 113 113 30637 1 . LYS 114 114 30637 1 . VAL 115 115 30637 1 . ARG 116 116 30637 1 . ALA 117 117 30637 1 . MET 118 118 30637 1 . THR 119 119 30637 1 . LEU 120 120 30637 1 . GLU 121 121 30637 1 . GLY 122 122 30637 1 . PRO 123 123 30637 1 . VAL 124 124 30637 1 . GLU 125 125 30637 1 . VAL 126 126 30637 1 . ALA 127 127 30637 1 . VAL 128 128 30637 1 . PRO 129 129 30637 1 . PRO 130 130 30637 1 . ARG 131 131 30637 1 . THR 132 132 30637 1 . GLN 133 133 30637 1 . ALA 134 134 30637 1 . GLY 135 135 30637 1 . ARG 136 136 30637 1 . LYS 137 137 30637 1 . LEU 138 138 30637 1 . ARG 139 139 30637 1 . LEU 140 140 30637 1 . LYS 141 141 30637 1 . GLY 142 142 30637 1 . LYS 143 143 30637 1 . GLY 144 144 30637 1 . PHE 145 145 30637 1 . PRO 146 146 30637 1 . GLY 147 147 30637 1 . PRO 148 148 30637 1 . ALA 149 149 30637 1 . GLY 150 150 30637 1 . ARG 151 151 30637 1 . GLY 152 152 30637 1 . ASP 153 153 30637 1 . LEU 154 154 30637 1 . TYR 155 155 30637 1 . LEU 156 156 30637 1 . GLU 157 157 30637 1 . VAL 158 158 30637 1 . ARG 159 159 30637 1 . ILE 160 160 30637 1 . THR 161 161 30637 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 30637 _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 . 83333 organism . 'Escherichia coli (strain K12)' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . 'phoA, b0383, JW0374' . 30637 1 2 1 $entity_1 . 300852 organism . 'Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)' 'Thermus thermophilus' . . Bacteria . Thermus thermophilus 'HB8 / ATCC 27634 / DSM 579' . . . . . . . . . . 'dnaJ2, TTHA1489' . 30637 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 30637 _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 BL21(DE3)' . . 469008 . . BL21(DE3) . . . . . . . . . 30637 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30637 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [ILVMAT-sel-1H-13C_methyls; U-15N; U-2H] C-CBD1-CBD2, 75 mM potassium chloride, 20 mM potassium phosphate, 0.04 % sodium azide, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 C-CBD1-CBD2 '[ILVMAT-sel-1H-13C_methyls; U-15N; U-2H]' . . 1 $entity_1 . . 1 . . mM . . . . 30637 1 2 'potassium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 30637 1 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30637 1 4 'sodium azide' 'natural abundance' . . . . . . 0.04 . . % . . . . 30637 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30637 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-100% 13C; U-100% 15N] C-CBD1-CBD2, 75 mM potassium chloride, 20 mM potassium phosphate, 0.04 % sodium azide, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 C-CBD1-CBD2 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30637 2 2 'potassium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 30637 2 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30637 2 4 'sodium azide' 'natural abundance' . . . . . . 0.04 . . % . . . . 30637 2 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 30637 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 100 . mM 30637 1 pH 7 . pH 30637 1 pressure 1 . atm 30637 1 temperature 298 . K 30637 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30637 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30637 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30637 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30637 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30637 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30637 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30637 _Software.ID 3 _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' . . 30637 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30637 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30637 _Software.ID 4 _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 . . 30637 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 30637 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30637 _Software.ID 5 _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' . . 30637 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30637 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30637 _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' . . 30637 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 30637 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30637 _Software.ID 7 _Software.Type . _Software.Name TopSpin _Software.Version 4.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30637 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30637 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 30637 _Software.ID 8 _Software.Type . _Software.Name PSVS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 30637 8 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 30637 8 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 30637 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30637 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE NEO' . 700 . . . 30637 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 30637 _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 . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30637 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30637 1 3 '2D 1H-13C HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30637 1 4 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30637 1 5 '3D HCH-SFNOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30637 1 6 '3D CNH-SFNOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30637 1 7 '3D NCH-SFNOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30637 1 8 '3D CCH-SFNOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30637 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30637 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 30637 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.000 internal indirect 0.25144953 . . . . . 30637 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30637 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30637 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 30637 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 30637 1 2 '2D 1H-13C HSQC' . . . 30637 1 3 '2D 1H-13C HMQC' . . . 30637 1 4 '3D HNCACB' . . . 30637 1 5 '3D HCH-SFNOESY' . . . 30637 1 6 '3D CNH-SFNOESY' . . . 30637 1 7 '3D NCH-SFNOESY' . . . 30637 1 8 '3D CCH-SFNOESY' . . . 30637 1 9 '3D 1H-15N NOESY' . . . 30637 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 1 1 ALA H H 1 8.471 0.00 . . . . . . A 96 ALA H1 . 30637 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.388 0.00 . . . . . . A 96 ALA HB1 . 30637 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.388 0.00 . . . . . . A 96 ALA HB2 . 30637 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.388 0.00 . . . . . . A 96 ALA HB3 . 30637 1 5 . 1 . 1 1 1 ALA CB C 13 19.346 0.00 . . . . . . A 96 ALA CB . 30637 1 6 . 1 . 1 1 1 ALA N N 15 125.679 0.00 . . . . . . A 96 ALA N . 30637 1 7 . 1 . 1 2 2 ALA H H 1 8.438 0.00 . . . . . . A 97 ALA H . 30637 1 8 . 1 . 1 2 2 ALA HB1 H 1 1.252 0.00 . . . . . . A 97 ALA HB1 . 30637 1 9 . 1 . 1 2 2 ALA HB2 H 1 1.252 0.00 . . . . . . A 97 ALA HB2 . 30637 1 10 . 1 . 1 2 2 ALA HB3 H 1 1.252 0.00 . . . . . . A 97 ALA HB3 . 30637 1 11 . 1 . 1 2 2 ALA CB C 13 19.071 0.00 . . . . . . A 97 ALA CB . 30637 1 12 . 1 . 1 2 2 ALA N N 15 123.903 0.00 . . . . . . A 97 ALA N . 30637 1 13 . 1 . 1 3 3 LEU H H 1 8.746 0.00 . . . . . . A 98 LEU H . 30637 1 14 . 1 . 1 3 3 LEU HD11 H 1 0.737 0.00 . . . . . . A 98 LEU HD11 . 30637 1 15 . 1 . 1 3 3 LEU HD12 H 1 0.737 0.00 . . . . . . A 98 LEU HD12 . 30637 1 16 . 1 . 1 3 3 LEU HD13 H 1 0.737 0.00 . . . . . . A 98 LEU HD13 . 30637 1 17 . 1 . 1 3 3 LEU HD21 H 1 0.945 0.00 . . . . . . A 98 LEU HD21 . 30637 1 18 . 1 . 1 3 3 LEU HD22 H 1 0.945 0.00 . . . . . . A 98 LEU HD22 . 30637 1 19 . 1 . 1 3 3 LEU HD23 H 1 0.945 0.00 . . . . . . A 98 LEU HD23 . 30637 1 20 . 1 . 1 3 3 LEU CD1 C 13 25.768 0.00 . . . . . . A 98 LEU CD1 . 30637 1 21 . 1 . 1 3 3 LEU CD2 C 13 23.465 0.00 . . . . . . A 98 LEU CD2 . 30637 1 22 . 1 . 1 3 3 LEU N N 15 122.975 0.00 . . . . . . A 98 LEU N . 30637 1 23 . 1 . 1 4 4 VAL H H 1 8.173 0.00 . . . . . . A 99 VAL H . 30637 1 24 . 1 . 1 4 4 VAL HG11 H 1 0.913 0.00 . . . . . . A 99 VAL HG11 . 30637 1 25 . 1 . 1 4 4 VAL HG12 H 1 0.913 0.00 . . . . . . A 99 VAL HG12 . 30637 1 26 . 1 . 1 4 4 VAL HG13 H 1 0.913 0.00 . . . . . . A 99 VAL HG13 . 30637 1 27 . 1 . 1 4 4 VAL CG1 C 13 20.913 0.00 . . . . . . A 99 VAL CG1 . 30637 1 28 . 1 . 1 4 4 VAL N N 15 121.546 0.00 . . . . . . A 99 VAL N . 30637 1 29 . 1 . 1 5 5 ALA H H 1 8.308 0.00 . . . . . . A 100 ALA H . 30637 1 30 . 1 . 1 5 5 ALA HB1 H 1 1.074 0.00 . . . . . . A 100 ALA HB1 . 30637 1 31 . 1 . 1 5 5 ALA HB2 H 1 1.074 0.00 . . . . . . A 100 ALA HB2 . 30637 1 32 . 1 . 1 5 5 ALA HB3 H 1 1.074 0.00 . . . . . . A 100 ALA HB3 . 30637 1 33 . 1 . 1 5 5 ALA CB C 13 21.856 0.00 . . . . . . A 100 ALA CB . 30637 1 34 . 1 . 1 5 5 ALA N N 15 127.288 0.00 . . . . . . A 100 ALA N . 30637 1 35 . 1 . 1 6 6 HIS H H 1 8.678 0.00 . . . . . . A 101 HIS H . 30637 1 36 . 1 . 1 6 6 HIS N N 15 118.819 0.00 . . . . . . A 101 HIS N . 30637 1 37 . 1 . 1 7 7 VAL HG11 H 1 1.021 0.00 . . . . . . A 102 VAL HG11 . 30637 1 38 . 1 . 1 7 7 VAL HG12 H 1 1.021 0.00 . . . . . . A 102 VAL HG12 . 30637 1 39 . 1 . 1 7 7 VAL HG13 H 1 1.021 0.00 . . . . . . A 102 VAL HG13 . 30637 1 40 . 1 . 1 7 7 VAL HG21 H 1 1.006 0.00 . . . . . . A 102 VAL HG21 . 30637 1 41 . 1 . 1 7 7 VAL HG22 H 1 1.006 0.00 . . . . . . A 102 VAL HG22 . 30637 1 42 . 1 . 1 7 7 VAL HG23 H 1 1.006 0.00 . . . . . . A 102 VAL HG23 . 30637 1 43 . 1 . 1 7 7 VAL CG1 C 13 21.432 0.00 . . . . . . A 102 VAL CG1 . 30637 1 44 . 1 . 1 7 7 VAL CG2 C 13 21.982 0.00 . . . . . . A 102 VAL CG2 . 30637 1 45 . 1 . 1 8 8 THR H H 1 8.839 0.00 . . . . . . A 103 THR H . 30637 1 46 . 1 . 1 8 8 THR HG21 H 1 1.204 0.00 . . . . . . A 103 THR HG21 . 30637 1 47 . 1 . 1 8 8 THR HG22 H 1 1.204 0.00 . . . . . . A 103 THR HG22 . 30637 1 48 . 1 . 1 8 8 THR HG23 H 1 1.204 0.00 . . . . . . A 103 THR HG23 . 30637 1 49 . 1 . 1 8 8 THR CG2 C 13 21.526 0.00 . . . . . . A 103 THR CG2 . 30637 1 50 . 1 . 1 8 8 THR N N 15 119.803 0.00 . . . . . . A 103 THR N . 30637 1 51 . 1 . 1 21 21 GLY H H 1 8.697 0.01 . . . . . . A 116 GLY H . 30637 1 52 . 1 . 1 21 21 GLY CA C 13 45.187 0.00 . . . . . . A 116 GLY CA . 30637 1 53 . 1 . 1 21 21 GLY N N 15 109.837 0.11 . . . . . . A 116 GLY N . 30637 1 54 . 1 . 1 22 22 ARG H H 1 8.284 0.01 . . . . . . A 117 ARG H . 30637 1 55 . 1 . 1 22 22 ARG CA C 13 55.590 0.01 . . . . . . A 117 ARG CA . 30637 1 56 . 1 . 1 22 22 ARG CB C 13 31.191 0.01 . . . . . . A 117 ARG CB . 30637 1 57 . 1 . 1 22 22 ARG N N 15 119.796 0.07 . . . . . . A 117 ARG N . 30637 1 58 . 1 . 1 23 23 ASP H H 1 8.446 0.04 . . . . . . A 118 ASP H . 30637 1 59 . 1 . 1 23 23 ASP CA C 13 54.960 0.08 . . . . . . A 118 ASP CA . 30637 1 60 . 1 . 1 23 23 ASP CB C 13 40.719 0.01 . . . . . . A 118 ASP CB . 30637 1 61 . 1 . 1 23 23 ASP N N 15 123.499 0.14 . . . . . . A 118 ASP N . 30637 1 62 . 1 . 1 24 24 LEU H H 1 8.576 0.07 . . . . . . A 119 LEU H . 30637 1 63 . 1 . 1 24 24 LEU HD11 H 1 0.791 0.00 . . . . . . A 119 LEU HD11 . 30637 1 64 . 1 . 1 24 24 LEU HD12 H 1 0.791 0.00 . . . . . . A 119 LEU HD12 . 30637 1 65 . 1 . 1 24 24 LEU HD13 H 1 0.791 0.00 . . . . . . A 119 LEU HD13 . 30637 1 66 . 1 . 1 24 24 LEU HD21 H 1 0.878 0.00 . . . . . . A 119 LEU HD21 . 30637 1 67 . 1 . 1 24 24 LEU HD22 H 1 0.878 0.00 . . . . . . A 119 LEU HD22 . 30637 1 68 . 1 . 1 24 24 LEU HD23 H 1 0.878 0.00 . . . . . . A 119 LEU HD23 . 30637 1 69 . 1 . 1 24 24 LEU CA C 13 53.296 0.03 . . . . . . A 119 LEU CA . 30637 1 70 . 1 . 1 24 24 LEU CB C 13 45.734 0.04 . . . . . . A 119 LEU CB . 30637 1 71 . 1 . 1 24 24 LEU CD1 C 13 24.401 0.03 . . . . . . A 119 LEU CD1 . 30637 1 72 . 1 . 1 24 24 LEU CD2 C 13 24.321 0.00 . . . . . . A 119 LEU CD2 . 30637 1 73 . 1 . 1 24 24 LEU N N 15 121.816 0.93 . . . . . . A 119 LEU N . 30637 1 74 . 1 . 1 25 25 ARG H H 1 8.688 0.01 . . . . . . A 120 ARG H . 30637 1 75 . 1 . 1 25 25 ARG CA C 13 54.385 0.00 . . . . . . A 120 ARG CA . 30637 1 76 . 1 . 1 25 25 ARG N N 15 123.115 1.11 . . . . . . A 120 ARG N . 30637 1 77 . 1 . 1 26 26 ALA H H 1 8.920 0.06 . . . . . . A 121 ALA H . 30637 1 78 . 1 . 1 26 26 ALA HB1 H 1 1.069 0.00 . . . . . . A 121 ALA HB1 . 30637 1 79 . 1 . 1 26 26 ALA HB2 H 1 1.069 0.00 . . . . . . A 121 ALA HB2 . 30637 1 80 . 1 . 1 26 26 ALA HB3 H 1 1.069 0.00 . . . . . . A 121 ALA HB3 . 30637 1 81 . 1 . 1 26 26 ALA CA C 13 51.042 0.00 . . . . . . A 121 ALA CA . 30637 1 82 . 1 . 1 26 26 ALA CB C 13 23.415 0.23 . . . . . . A 121 ALA CB . 30637 1 83 . 1 . 1 26 26 ALA N N 15 125.008 0.29 . . . . . . A 121 ALA N . 30637 1 84 . 1 . 1 27 27 GLU H H 1 8.704 0.08 . . . . . . A 122 GLU H . 30637 1 85 . 1 . 1 27 27 GLU CA C 13 55.967 0.00 . . . . . . A 122 GLU CA . 30637 1 86 . 1 . 1 27 27 GLU CB C 13 31.693 0.00 . . . . . . A 122 GLU CB . 30637 1 87 . 1 . 1 27 27 GLU N N 15 120.460 0.27 . . . . . . A 122 GLU N . 30637 1 88 . 1 . 1 28 28 LEU H H 1 8.950 0.00 . . . . . . A 123 LEU H . 30637 1 89 . 1 . 1 28 28 LEU HD11 H 1 0.789 0.00 . . . . . . A 123 LEU HD11 . 30637 1 90 . 1 . 1 28 28 LEU HD12 H 1 0.789 0.00 . . . . . . A 123 LEU HD12 . 30637 1 91 . 1 . 1 28 28 LEU HD13 H 1 0.789 0.00 . . . . . . A 123 LEU HD13 . 30637 1 92 . 1 . 1 28 28 LEU HD21 H 1 0.712 0.00 . . . . . . A 123 LEU HD21 . 30637 1 93 . 1 . 1 28 28 LEU HD22 H 1 0.712 0.00 . . . . . . A 123 LEU HD22 . 30637 1 94 . 1 . 1 28 28 LEU HD23 H 1 0.712 0.00 . . . . . . A 123 LEU HD23 . 30637 1 95 . 1 . 1 28 28 LEU CA C 13 50.883 0.00 . . . . . . A 123 LEU CA . 30637 1 96 . 1 . 1 28 28 LEU CB C 13 45.157 0.00 . . . . . . A 123 LEU CB . 30637 1 97 . 1 . 1 28 28 LEU CD1 C 13 24.059 0.01 . . . . . . A 123 LEU CD1 . 30637 1 98 . 1 . 1 28 28 LEU CD2 C 13 26.224 0.00 . . . . . . A 123 LEU CD2 . 30637 1 99 . 1 . 1 28 28 LEU N N 15 126.675 0.02 . . . . . . A 123 LEU N . 30637 1 100 . 1 . 1 29 29 PRO CA C 13 61.121 0.00 . . . . . . A 124 PRO CA . 30637 1 101 . 1 . 1 29 29 PRO CB C 13 31.581 0.00 . . . . . . A 124 PRO CB . 30637 1 102 . 1 . 1 30 30 LEU H H 1 8.871 0.12 . . . . . . A 125 LEU H . 30637 1 103 . 1 . 1 30 30 LEU HD11 H 1 0.705 0.00 . . . . . . A 125 LEU HD11 . 30637 1 104 . 1 . 1 30 30 LEU HD12 H 1 0.705 0.00 . . . . . . A 125 LEU HD12 . 30637 1 105 . 1 . 1 30 30 LEU HD13 H 1 0.705 0.00 . . . . . . A 125 LEU HD13 . 30637 1 106 . 1 . 1 30 30 LEU HD21 H 1 0.792 0.00 . . . . . . A 125 LEU HD21 . 30637 1 107 . 1 . 1 30 30 LEU HD22 H 1 0.792 0.00 . . . . . . A 125 LEU HD22 . 30637 1 108 . 1 . 1 30 30 LEU HD23 H 1 0.792 0.00 . . . . . . A 125 LEU HD23 . 30637 1 109 . 1 . 1 30 30 LEU CA C 13 53.036 0.00 . . . . . . A 125 LEU CA . 30637 1 110 . 1 . 1 30 30 LEU CB C 13 46.704 0.01 . . . . . . A 125 LEU CB . 30637 1 111 . 1 . 1 30 30 LEU CD1 C 13 27.545 0.00 . . . . . . A 125 LEU CD1 . 30637 1 112 . 1 . 1 30 30 LEU CD2 C 13 24.072 0.00 . . . . . . A 125 LEU CD2 . 30637 1 113 . 1 . 1 30 30 LEU N N 15 124.224 0.28 . . . . . . A 125 LEU N . 30637 1 114 . 1 . 1 31 31 THR H H 1 9.003 0.00 . . . . . . A 126 THR H . 30637 1 115 . 1 . 1 31 31 THR HG21 H 1 1.440 0.00 . . . . . . A 126 THR HG21 . 30637 1 116 . 1 . 1 31 31 THR HG22 H 1 1.440 0.00 . . . . . . A 126 THR HG22 . 30637 1 117 . 1 . 1 31 31 THR HG23 H 1 1.440 0.00 . . . . . . A 126 THR HG23 . 30637 1 118 . 1 . 1 31 31 THR CA C 13 60.867 0.02 . . . . . . A 126 THR CA . 30637 1 119 . 1 . 1 31 31 THR CB C 13 71.023 0.01 . . . . . . A 126 THR CB . 30637 1 120 . 1 . 1 31 31 THR CG2 C 13 22.495 0.02 . . . . . . A 126 THR CG2 . 30637 1 121 . 1 . 1 31 31 THR N N 15 111.868 0.09 . . . . . . A 126 THR N . 30637 1 122 . 1 . 1 32 32 LEU H H 1 9.125 0.40 . . . . . . A 127 LEU H . 30637 1 123 . 1 . 1 32 32 LEU HD11 H 1 0.781 0.00 . . . . . . A 127 LEU HD11 . 30637 1 124 . 1 . 1 32 32 LEU HD12 H 1 0.781 0.00 . . . . . . A 127 LEU HD12 . 30637 1 125 . 1 . 1 32 32 LEU HD13 H 1 0.781 0.00 . . . . . . A 127 LEU HD13 . 30637 1 126 . 1 . 1 32 32 LEU HD21 H 1 0.821 0.00 . . . . . . A 127 LEU HD21 . 30637 1 127 . 1 . 1 32 32 LEU HD22 H 1 0.821 0.00 . . . . . . A 127 LEU HD22 . 30637 1 128 . 1 . 1 32 32 LEU HD23 H 1 0.821 0.00 . . . . . . A 127 LEU HD23 . 30637 1 129 . 1 . 1 32 32 LEU CA C 13 58.786 0.02 . . . . . . A 127 LEU CA . 30637 1 130 . 1 . 1 32 32 LEU CB C 13 41.422 0.02 . . . . . . A 127 LEU CB . 30637 1 131 . 1 . 1 32 32 LEU CD1 C 13 24.869 0.00 . . . . . . A 127 LEU CD1 . 30637 1 132 . 1 . 1 32 32 LEU CD2 C 13 25.883 0.00 . . . . . . A 127 LEU CD2 . 30637 1 133 . 1 . 1 32 32 LEU N N 15 120.347 0.19 . . . . . . A 127 LEU N . 30637 1 134 . 1 . 1 33 33 GLU H H 1 8.921 0.48 . . . . . . A 128 GLU H . 30637 1 135 . 1 . 1 33 33 GLU CA C 13 60.323 0.05 . . . . . . A 128 GLU CA . 30637 1 136 . 1 . 1 33 33 GLU CB C 13 29.652 0.03 . . . . . . A 128 GLU CB . 30637 1 137 . 1 . 1 33 33 GLU N N 15 118.299 0.54 . . . . . . A 128 GLU N . 30637 1 138 . 1 . 1 34 34 GLU H H 1 7.841 0.07 . . . . . . A 129 GLU H . 30637 1 139 . 1 . 1 34 34 GLU CA C 13 59.084 0.00 . . . . . . A 129 GLU CA . 30637 1 140 . 1 . 1 34 34 GLU CB C 13 31.144 0.04 . . . . . . A 129 GLU CB . 30637 1 141 . 1 . 1 34 34 GLU N N 15 120.344 0.44 . . . . . . A 129 GLU N . 30637 1 142 . 1 . 1 35 35 ALA H H 1 8.518 0.12 . . . . . . A 130 ALA H . 30637 1 143 . 1 . 1 35 35 ALA HB1 H 1 1.693 0.00 . . . . . . A 130 ALA HB1 . 30637 1 144 . 1 . 1 35 35 ALA HB2 H 1 1.693 0.00 . . . . . . A 130 ALA HB2 . 30637 1 145 . 1 . 1 35 35 ALA HB3 H 1 1.693 0.00 . . . . . . A 130 ALA HB3 . 30637 1 146 . 1 . 1 35 35 ALA CA C 13 54.336 0.00 . . . . . . A 130 ALA CA . 30637 1 147 . 1 . 1 35 35 ALA CB C 13 18.761 0.20 . . . . . . A 130 ALA CB . 30637 1 148 . 1 . 1 35 35 ALA N N 15 120.657 0.83 . . . . . . A 130 ALA N . 30637 1 149 . 1 . 1 36 36 PHE H H 1 8.086 0.28 . . . . . . A 131 PHE H . 30637 1 150 . 1 . 1 36 36 PHE CA C 13 61.471 0.00 . . . . . . A 131 PHE CA . 30637 1 151 . 1 . 1 36 36 PHE CB C 13 39.593 0.01 . . . . . . A 131 PHE CB . 30637 1 152 . 1 . 1 36 36 PHE N N 15 116.094 0.43 . . . . . . A 131 PHE N . 30637 1 153 . 1 . 1 37 37 HIS H H 1 8.017 0.05 . . . . . . A 132 HIS H . 30637 1 154 . 1 . 1 37 37 HIS CA C 13 58.153 0.00 . . . . . . A 132 HIS CA . 30637 1 155 . 1 . 1 37 37 HIS CB C 13 31.181 0.03 . . . . . . A 132 HIS CB . 30637 1 156 . 1 . 1 37 37 HIS N N 15 113.781 0.33 . . . . . . A 132 HIS N . 30637 1 157 . 1 . 1 38 38 GLY H H 1 8.203 0.00 . . . . . . A 133 GLY H . 30637 1 158 . 1 . 1 38 38 GLY CA C 13 44.810 0.00 . . . . . . A 133 GLY CA . 30637 1 159 . 1 . 1 38 38 GLY N N 15 107.710 0.07 . . . . . . A 133 GLY N . 30637 1 160 . 1 . 1 39 39 GLY H H 1 8.687 0.00 . . . . . . A 134 GLY H . 30637 1 161 . 1 . 1 39 39 GLY CA C 13 44.786 0.00 . . . . . . A 134 GLY CA . 30637 1 162 . 1 . 1 39 39 GLY N N 15 107.498 0.00 . . . . . . A 134 GLY N . 30637 1 163 . 1 . 1 40 40 GLU H H 1 8.523 0.00 . . . . . . A 135 GLU H . 30637 1 164 . 1 . 1 40 40 GLU CA C 13 55.725 0.11 . . . . . . A 135 GLU CA . 30637 1 165 . 1 . 1 40 40 GLU CB C 13 31.747 0.02 . . . . . . A 135 GLU CB . 30637 1 166 . 1 . 1 40 40 GLU N N 15 121.055 0.24 . . . . . . A 135 GLU N . 30637 1 167 . 1 . 1 41 41 ARG H H 1 8.975 0.03 . . . . . . A 136 ARG H . 30637 1 168 . 1 . 1 41 41 ARG CA C 13 54.156 0.05 . . . . . . A 136 ARG CA . 30637 1 169 . 1 . 1 41 41 ARG CB C 13 34.559 0.01 . . . . . . A 136 ARG CB . 30637 1 170 . 1 . 1 41 41 ARG N N 15 123.806 0.81 . . . . . . A 136 ARG N . 30637 1 171 . 1 . 1 42 42 VAL H H 1 8.548 0.07 . . . . . . A 137 VAL H . 30637 1 172 . 1 . 1 42 42 VAL HG21 H 1 0.907 0.00 . . . . . . A 137 VAL HG21 . 30637 1 173 . 1 . 1 42 42 VAL HG22 H 1 0.907 0.00 . . . . . . A 137 VAL HG22 . 30637 1 174 . 1 . 1 42 42 VAL HG23 H 1 0.907 0.00 . . . . . . A 137 VAL HG23 . 30637 1 175 . 1 . 1 42 42 VAL CA C 13 62.179 0.01 . . . . . . A 137 VAL CA . 30637 1 176 . 1 . 1 42 42 VAL CB C 13 31.996 0.03 . . . . . . A 137 VAL CB . 30637 1 177 . 1 . 1 42 42 VAL CG2 C 13 21.569 0.02 . . . . . . A 137 VAL CG2 . 30637 1 178 . 1 . 1 42 42 VAL N N 15 123.587 0.72 . . . . . . A 137 VAL N . 30637 1 179 . 1 . 1 43 43 VAL H H 1 9.079 0.11 . . . . . . A 138 VAL H . 30637 1 180 . 1 . 1 43 43 VAL HG11 H 1 0.792 0.00 . . . . . . A 138 VAL HG11 . 30637 1 181 . 1 . 1 43 43 VAL HG12 H 1 0.792 0.00 . . . . . . A 138 VAL HG12 . 30637 1 182 . 1 . 1 43 43 VAL HG13 H 1 0.792 0.00 . . . . . . A 138 VAL HG13 . 30637 1 183 . 1 . 1 43 43 VAL HG21 H 1 0.818 0.00 . . . . . . A 138 VAL HG21 . 30637 1 184 . 1 . 1 43 43 VAL HG22 H 1 0.818 0.00 . . . . . . A 138 VAL HG22 . 30637 1 185 . 1 . 1 43 43 VAL HG23 H 1 0.818 0.00 . . . . . . A 138 VAL HG23 . 30637 1 186 . 1 . 1 43 43 VAL CA C 13 58.335 0.02 . . . . . . A 138 VAL CA . 30637 1 187 . 1 . 1 43 43 VAL CB C 13 34.335 0.06 . . . . . . A 138 VAL CB . 30637 1 188 . 1 . 1 43 43 VAL CG1 C 13 20.244 0.00 . . . . . . A 138 VAL CG1 . 30637 1 189 . 1 . 1 43 43 VAL CG2 C 13 21.218 0.00 . . . . . . A 138 VAL CG2 . 30637 1 190 . 1 . 1 43 43 VAL N N 15 122.471 2.27 . . . . . . A 138 VAL N . 30637 1 191 . 1 . 1 44 44 GLU H H 1 8.630 0.00 . . . . . . A 139 GLU H . 30637 1 192 . 1 . 1 44 44 GLU CA C 13 54.587 0.08 . . . . . . A 139 GLU CA . 30637 1 193 . 1 . 1 44 44 GLU CB C 13 31.943 0.00 . . . . . . A 139 GLU CB . 30637 1 194 . 1 . 1 44 44 GLU N N 15 122.690 0.02 . . . . . . A 139 GLU N . 30637 1 195 . 1 . 1 45 45 VAL H H 1 8.887 0.03 . . . . . . A 140 VAL H . 30637 1 196 . 1 . 1 45 45 VAL HG11 H 1 0.759 0.00 . . . . . . A 140 VAL HG11 . 30637 1 197 . 1 . 1 45 45 VAL HG12 H 1 0.759 0.00 . . . . . . A 140 VAL HG12 . 30637 1 198 . 1 . 1 45 45 VAL HG13 H 1 0.759 0.00 . . . . . . A 140 VAL HG13 . 30637 1 199 . 1 . 1 45 45 VAL HG21 H 1 0.706 0.00 . . . . . . A 140 VAL HG21 . 30637 1 200 . 1 . 1 45 45 VAL HG22 H 1 0.706 0.00 . . . . . . A 140 VAL HG22 . 30637 1 201 . 1 . 1 45 45 VAL HG23 H 1 0.706 0.00 . . . . . . A 140 VAL HG23 . 30637 1 202 . 1 . 1 45 45 VAL CA C 13 60.390 0.00 . . . . . . A 140 VAL CA . 30637 1 203 . 1 . 1 45 45 VAL CB C 13 33.903 0.03 . . . . . . A 140 VAL CB . 30637 1 204 . 1 . 1 45 45 VAL CG1 C 13 19.348 0.04 . . . . . . A 140 VAL CG1 . 30637 1 205 . 1 . 1 45 45 VAL CG2 C 13 20.939 0.02 . . . . . . A 140 VAL CG2 . 30637 1 206 . 1 . 1 45 45 VAL N N 15 124.077 0.14 . . . . . . A 140 VAL N . 30637 1 207 . 1 . 1 46 46 ALA H H 1 9.446 0.04 . . . . . . A 141 ALA H . 30637 1 208 . 1 . 1 46 46 ALA HB1 H 1 1.361 0.00 . . . . . . A 141 ALA HB1 . 30637 1 209 . 1 . 1 46 46 ALA HB2 H 1 1.361 0.00 . . . . . . A 141 ALA HB2 . 30637 1 210 . 1 . 1 46 46 ALA HB3 H 1 1.361 0.00 . . . . . . A 141 ALA HB3 . 30637 1 211 . 1 . 1 46 46 ALA CA C 13 52.915 0.00 . . . . . . A 141 ALA CA . 30637 1 212 . 1 . 1 46 46 ALA CB C 13 17.551 0.01 . . . . . . A 141 ALA CB . 30637 1 213 . 1 . 1 46 46 ALA N N 15 130.925 0.16 . . . . . . A 141 ALA N . 30637 1 214 . 1 . 1 47 47 GLY H H 1 8.701 0.03 . . . . . . A 142 GLY H . 30637 1 215 . 1 . 1 47 47 GLY CA C 13 45.535 0.01 . . . . . . A 142 GLY CA . 30637 1 216 . 1 . 1 47 47 GLY N N 15 103.979 0.13 . . . . . . A 142 GLY N . 30637 1 217 . 1 . 1 48 48 ARG H H 1 8.072 0.02 . . . . . . A 143 ARG H . 30637 1 218 . 1 . 1 48 48 ARG CA C 13 54.962 0.08 . . . . . . A 143 ARG CA . 30637 1 219 . 1 . 1 48 48 ARG N N 15 121.212 0.01 . . . . . . A 143 ARG N . 30637 1 220 . 1 . 1 49 49 ARG H H 1 8.507 0.01 . . . . . . A 144 ARG H . 30637 1 221 . 1 . 1 49 49 ARG CA C 13 55.780 0.04 . . . . . . A 144 ARG CA . 30637 1 222 . 1 . 1 49 49 ARG CB C 13 31.202 0.00 . . . . . . A 144 ARG CB . 30637 1 223 . 1 . 1 49 49 ARG N N 15 122.905 0.58 . . . . . . A 144 ARG N . 30637 1 224 . 1 . 1 50 50 VAL H H 1 9.196 0.01 . . . . . . A 145 VAL H . 30637 1 225 . 1 . 1 50 50 VAL HG11 H 1 0.775 0.00 . . . . . . A 145 VAL HG11 . 30637 1 226 . 1 . 1 50 50 VAL HG12 H 1 0.775 0.00 . . . . . . A 145 VAL HG12 . 30637 1 227 . 1 . 1 50 50 VAL HG13 H 1 0.775 0.00 . . . . . . A 145 VAL HG13 . 30637 1 228 . 1 . 1 50 50 VAL CA C 13 60.740 0.07 . . . . . . A 145 VAL CA . 30637 1 229 . 1 . 1 50 50 VAL CB C 13 35.300 0.07 . . . . . . A 145 VAL CB . 30637 1 230 . 1 . 1 50 50 VAL CG1 C 13 21.534 0.00 . . . . . . A 145 VAL CG1 . 30637 1 231 . 1 . 1 50 50 VAL N N 15 124.227 0.67 . . . . . . A 145 VAL N . 30637 1 232 . 1 . 1 51 51 SER H H 1 8.593 0.02 . . . . . . A 146 SER H . 30637 1 233 . 1 . 1 51 51 SER CA C 13 58.276 0.01 . . . . . . A 146 SER CA . 30637 1 234 . 1 . 1 51 51 SER CB C 13 63.121 0.01 . . . . . . A 146 SER CB . 30637 1 235 . 1 . 1 51 51 SER N N 15 121.820 0.14 . . . . . . A 146 SER N . 30637 1 236 . 1 . 1 52 52 VAL H H 1 9.111 0.06 . . . . . . A 147 VAL H . 30637 1 237 . 1 . 1 52 52 VAL HG21 H 1 0.693 0.00 . . . . . . A 147 VAL HG21 . 30637 1 238 . 1 . 1 52 52 VAL HG22 H 1 0.693 0.00 . . . . . . A 147 VAL HG22 . 30637 1 239 . 1 . 1 52 52 VAL HG23 H 1 0.693 0.00 . . . . . . A 147 VAL HG23 . 30637 1 240 . 1 . 1 52 52 VAL CA C 13 60.279 0.03 . . . . . . A 147 VAL CA . 30637 1 241 . 1 . 1 52 52 VAL CB C 13 34.969 0.02 . . . . . . A 147 VAL CB . 30637 1 242 . 1 . 1 52 52 VAL CG2 C 13 21.162 0.00 . . . . . . A 147 VAL CG2 . 30637 1 243 . 1 . 1 52 52 VAL N N 15 124.710 0.19 . . . . . . A 147 VAL N . 30637 1 244 . 1 . 1 53 53 ARG H H 1 8.626 0.01 . . . . . . A 148 ARG H . 30637 1 245 . 1 . 1 53 53 ARG CA C 13 55.093 0.00 . . . . . . A 148 ARG CA . 30637 1 246 . 1 . 1 53 53 ARG CB C 13 30.112 0.01 . . . . . . A 148 ARG CB . 30637 1 247 . 1 . 1 53 53 ARG N N 15 125.585 0.26 . . . . . . A 148 ARG N . 30637 1 248 . 1 . 1 54 54 ILE H H 1 8.933 0.09 . . . . . . A 149 ILE H . 30637 1 249 . 1 . 1 54 54 ILE HD11 H 1 0.580 0.00 . . . . . . A 149 ILE HD11 . 30637 1 250 . 1 . 1 54 54 ILE HD12 H 1 0.580 0.00 . . . . . . A 149 ILE HD12 . 30637 1 251 . 1 . 1 54 54 ILE HD13 H 1 0.580 0.00 . . . . . . A 149 ILE HD13 . 30637 1 252 . 1 . 1 54 54 ILE CA C 13 57.942 0.00 . . . . . . A 149 ILE CA . 30637 1 253 . 1 . 1 54 54 ILE CB C 13 38.740 0.00 . . . . . . A 149 ILE CB . 30637 1 254 . 1 . 1 54 54 ILE CD1 C 13 12.776 0.00 . . . . . . A 149 ILE CD1 . 30637 1 255 . 1 . 1 54 54 ILE N N 15 128.781 0.11 . . . . . . A 149 ILE N . 30637 1 256 . 1 . 1 56 56 PRO CA C 13 62.963 0.00 . . . . . . A 151 PRO CA . 30637 1 257 . 1 . 1 56 56 PRO CB C 13 31.585 0.00 . . . . . . A 151 PRO CB . 30637 1 258 . 1 . 1 57 57 GLY H H 1 8.484 0.15 . . . . . . A 152 GLY H . 30637 1 259 . 1 . 1 57 57 GLY CA C 13 46.355 0.01 . . . . . . A 152 GLY CA . 30637 1 260 . 1 . 1 57 57 GLY N N 15 111.709 0.03 . . . . . . A 152 GLY N . 30637 1 261 . 1 . 1 58 58 VAL H H 1 7.207 0.00 . . . . . . A 153 VAL H . 30637 1 262 . 1 . 1 58 58 VAL HG11 H 1 1.007 0.00 . . . . . . A 153 VAL HG11 . 30637 1 263 . 1 . 1 58 58 VAL HG12 H 1 1.007 0.00 . . . . . . A 153 VAL HG12 . 30637 1 264 . 1 . 1 58 58 VAL HG13 H 1 1.007 0.00 . . . . . . A 153 VAL HG13 . 30637 1 265 . 1 . 1 58 58 VAL HG21 H 1 1.080 0.00 . . . . . . A 153 VAL HG21 . 30637 1 266 . 1 . 1 58 58 VAL HG22 H 1 1.080 0.00 . . . . . . A 153 VAL HG22 . 30637 1 267 . 1 . 1 58 58 VAL HG23 H 1 1.080 0.00 . . . . . . A 153 VAL HG23 . 30637 1 268 . 1 . 1 58 58 VAL CA C 13 62.198 0.00 . . . . . . A 153 VAL CA . 30637 1 269 . 1 . 1 58 58 VAL CB C 13 32.550 0.00 . . . . . . A 153 VAL CB . 30637 1 270 . 1 . 1 58 58 VAL CG1 C 13 19.823 0.01 . . . . . . A 153 VAL CG1 . 30637 1 271 . 1 . 1 58 58 VAL CG2 C 13 21.722 0.00 . . . . . . A 153 VAL CG2 . 30637 1 272 . 1 . 1 58 58 VAL N N 15 115.036 0.57 . . . . . . A 153 VAL N . 30637 1 273 . 1 . 1 59 59 ARG H H 1 8.058 0.17 . . . . . . A 154 ARG H . 30637 1 274 . 1 . 1 59 59 ARG CA C 13 53.743 0.00 . . . . . . A 154 ARG CA . 30637 1 275 . 1 . 1 59 59 ARG CB C 13 32.954 0.06 . . . . . . A 154 ARG CB . 30637 1 276 . 1 . 1 59 59 ARG N N 15 117.135 1.50 . . . . . . A 154 ARG N . 30637 1 277 . 1 . 1 60 60 GLU H H 1 8.294 0.17 . . . . . . A 155 GLU H . 30637 1 278 . 1 . 1 60 60 GLU CA C 13 58.505 0.02 . . . . . . A 155 GLU CA . 30637 1 279 . 1 . 1 60 60 GLU CB C 13 29.290 0.01 . . . . . . A 155 GLU CB . 30637 1 280 . 1 . 1 60 60 GLU N N 15 120.632 0.44 . . . . . . A 155 GLU N . 30637 1 281 . 1 . 1 61 61 GLY H H 1 9.316 0.05 . . . . . . A 156 GLY H . 30637 1 282 . 1 . 1 61 61 GLY CA C 13 45.378 0.01 . . . . . . A 156 GLY CA . 30637 1 283 . 1 . 1 61 61 GLY N N 15 117.059 0.14 . . . . . . A 156 GLY N . 30637 1 284 . 1 . 1 62 62 SER H H 1 8.280 0.00 . . . . . . A 157 SER H . 30637 1 285 . 1 . 1 62 62 SER CA C 13 61.377 0.00 . . . . . . A 157 SER CA . 30637 1 286 . 1 . 1 62 62 SER CB C 13 63.493 0.00 . . . . . . A 157 SER CB . 30637 1 287 . 1 . 1 62 62 SER N N 15 118.583 0.03 . . . . . . A 157 SER N . 30637 1 288 . 1 . 1 63 63 VAL H H 1 8.432 0.02 . . . . . . A 158 VAL H . 30637 1 289 . 1 . 1 63 63 VAL HG11 H 1 0.738 0.00 . . . . . . A 158 VAL HG11 . 30637 1 290 . 1 . 1 63 63 VAL HG12 H 1 0.738 0.00 . . . . . . A 158 VAL HG12 . 30637 1 291 . 1 . 1 63 63 VAL HG13 H 1 0.738 0.00 . . . . . . A 158 VAL HG13 . 30637 1 292 . 1 . 1 63 63 VAL HG21 H 1 0.968 0.00 . . . . . . A 158 VAL HG21 . 30637 1 293 . 1 . 1 63 63 VAL HG22 H 1 0.968 0.00 . . . . . . A 158 VAL HG22 . 30637 1 294 . 1 . 1 63 63 VAL HG23 H 1 0.968 0.00 . . . . . . A 158 VAL HG23 . 30637 1 295 . 1 . 1 63 63 VAL CA C 13 61.113 0.00 . . . . . . A 158 VAL CA . 30637 1 296 . 1 . 1 63 63 VAL CB C 13 33.806 0.01 . . . . . . A 158 VAL CB . 30637 1 297 . 1 . 1 63 63 VAL CG1 C 13 21.609 0.00 . . . . . . A 158 VAL CG1 . 30637 1 298 . 1 . 1 63 63 VAL CG2 C 13 21.521 0.00 . . . . . . A 158 VAL CG2 . 30637 1 299 . 1 . 1 63 63 VAL N N 15 122.029 0.13 . . . . . . A 158 VAL N . 30637 1 300 . 1 . 1 64 64 ILE H H 1 9.609 0.02 . . . . . . A 159 ILE H . 30637 1 301 . 1 . 1 64 64 ILE HD11 H 1 0.748 0.00 . . . . . . A 159 ILE HD11 . 30637 1 302 . 1 . 1 64 64 ILE HD12 H 1 0.748 0.00 . . . . . . A 159 ILE HD12 . 30637 1 303 . 1 . 1 64 64 ILE HD13 H 1 0.748 0.00 . . . . . . A 159 ILE HD13 . 30637 1 304 . 1 . 1 64 64 ILE CA C 13 60.617 0.07 . . . . . . A 159 ILE CA . 30637 1 305 . 1 . 1 64 64 ILE CB C 13 40.316 0.00 . . . . . . A 159 ILE CB . 30637 1 306 . 1 . 1 64 64 ILE CD1 C 13 14.937 0.00 . . . . . . A 159 ILE CD1 . 30637 1 307 . 1 . 1 64 64 ILE N N 15 130.784 0.09 . . . . . . A 159 ILE N . 30637 1 308 . 1 . 1 65 65 ARG H H 1 8.811 0.00 . . . . . . A 160 ARG H . 30637 1 309 . 1 . 1 65 65 ARG CA C 13 55.291 0.00 . . . . . . A 160 ARG CA . 30637 1 310 . 1 . 1 65 65 ARG CB C 13 31.973 0.00 . . . . . . A 160 ARG CB . 30637 1 311 . 1 . 1 65 65 ARG N N 15 128.615 0.06 . . . . . . A 160 ARG N . 30637 1 312 . 1 . 1 66 66 VAL H H 1 9.834 0.01 . . . . . . A 161 VAL H . 30637 1 313 . 1 . 1 66 66 VAL HG11 H 1 0.836 0.00 . . . . . . A 161 VAL HG11 . 30637 1 314 . 1 . 1 66 66 VAL HG12 H 1 0.836 0.00 . . . . . . A 161 VAL HG12 . 30637 1 315 . 1 . 1 66 66 VAL HG13 H 1 0.836 0.00 . . . . . . A 161 VAL HG13 . 30637 1 316 . 1 . 1 66 66 VAL HG21 H 1 0.922 0.00 . . . . . . A 161 VAL HG21 . 30637 1 317 . 1 . 1 66 66 VAL HG22 H 1 0.922 0.00 . . . . . . A 161 VAL HG22 . 30637 1 318 . 1 . 1 66 66 VAL HG23 H 1 0.922 0.00 . . . . . . A 161 VAL HG23 . 30637 1 319 . 1 . 1 66 66 VAL CA C 13 59.477 0.00 . . . . . . A 161 VAL CA . 30637 1 320 . 1 . 1 66 66 VAL CB C 13 31.909 0.00 . . . . . . A 161 VAL CB . 30637 1 321 . 1 . 1 66 66 VAL CG1 C 13 20.260 0.00 . . . . . . A 161 VAL CG1 . 30637 1 322 . 1 . 1 66 66 VAL CG2 C 13 22.139 0.00 . . . . . . A 161 VAL CG2 . 30637 1 323 . 1 . 1 66 66 VAL N N 15 130.365 0.17 . . . . . . A 161 VAL N . 30637 1 324 . 1 . 1 67 67 PRO CA C 13 63.164 0.00 . . . . . . A 162 PRO CA . 30637 1 325 . 1 . 1 67 67 PRO CB C 13 32.216 0.00 . . . . . . A 162 PRO CB . 30637 1 326 . 1 . 1 68 68 GLY H H 1 9.450 0.02 . . . . . . A 163 GLY H . 30637 1 327 . 1 . 1 68 68 GLY CA C 13 47.020 0.01 . . . . . . A 163 GLY CA . 30637 1 328 . 1 . 1 68 68 GLY N N 15 110.794 0.10 . . . . . . A 163 GLY N . 30637 1 329 . 1 . 1 69 69 MET H H 1 6.592 0.00 . . . . . . A 164 MET H . 30637 1 330 . 1 . 1 69 69 MET HE1 H 1 2.094 0.00 . . . . . . A 164 MET HE1 . 30637 1 331 . 1 . 1 69 69 MET HE2 H 1 2.094 0.00 . . . . . . A 164 MET HE2 . 30637 1 332 . 1 . 1 69 69 MET HE3 H 1 2.094 0.00 . . . . . . A 164 MET HE3 . 30637 1 333 . 1 . 1 69 69 MET CA C 13 53.612 0.00 . . . . . . A 164 MET CA . 30637 1 334 . 1 . 1 69 69 MET CB C 13 31.881 0.00 . . . . . . A 164 MET CB . 30637 1 335 . 1 . 1 69 69 MET CE C 13 17.927 0.00 . . . . . . A 164 MET CE . 30637 1 336 . 1 . 1 69 69 MET N N 15 115.504 0.01 . . . . . . A 164 MET N . 30637 1 337 . 1 . 1 70 70 GLY H H 1 8.217 0.05 . . . . . . A 165 GLY H . 30637 1 338 . 1 . 1 70 70 GLY CA C 13 44.074 0.01 . . . . . . A 165 GLY CA . 30637 1 339 . 1 . 1 70 70 GLY N N 15 109.061 0.18 . . . . . . A 165 GLY N . 30637 1 340 . 1 . 1 71 71 GLY H H 1 8.799 0.00 . . . . . . A 166 GLY H . 30637 1 341 . 1 . 1 71 71 GLY CA C 13 45.671 0.01 . . . . . . A 166 GLY CA . 30637 1 342 . 1 . 1 71 71 GLY N N 15 111.320 0.00 . . . . . . A 166 GLY N . 30637 1 343 . 1 . 1 72 72 GLN H H 1 8.498 0.02 . . . . . . A 167 GLN H . 30637 1 344 . 1 . 1 72 72 GLN CA C 13 56.487 0.01 . . . . . . A 167 GLN CA . 30637 1 345 . 1 . 1 72 72 GLN CB C 13 29.084 0.00 . . . . . . A 167 GLN CB . 30637 1 346 . 1 . 1 72 72 GLN N N 15 120.638 0.14 . . . . . . A 167 GLN N . 30637 1 347 . 1 . 1 73 73 GLY H H 1 8.007 0.02 . . . . . . A 168 GLY H . 30637 1 348 . 1 . 1 73 73 GLY CA C 13 44.762 0.00 . . . . . . A 168 GLY CA . 30637 1 349 . 1 . 1 73 73 GLY N N 15 108.568 0.09 . . . . . . A 168 GLY N . 30637 1 350 . 1 . 1 74 74 ASN H H 1 8.133 0.00 . . . . . . A 169 ASN H . 30637 1 351 . 1 . 1 74 74 ASN CA C 13 49.614 0.00 . . . . . . A 169 ASN CA . 30637 1 352 . 1 . 1 74 74 ASN CB C 13 39.836 0.00 . . . . . . A 169 ASN CB . 30637 1 353 . 1 . 1 74 74 ASN N N 15 116.860 0.01 . . . . . . A 169 ASN N . 30637 1 354 . 1 . 1 76 76 PRO CA C 13 62.675 0.00 . . . . . . A 171 PRO CA . 30637 1 355 . 1 . 1 76 76 PRO CB C 13 32.481 0.00 . . . . . . A 171 PRO CB . 30637 1 356 . 1 . 1 77 77 GLY H H 1 8.609 0.00 . . . . . . A 172 GLY H . 30637 1 357 . 1 . 1 77 77 GLY CA C 13 43.874 0.05 . . . . . . A 172 GLY CA . 30637 1 358 . 1 . 1 77 77 GLY N N 15 106.469 0.05 . . . . . . A 172 GLY N . 30637 1 359 . 1 . 1 78 78 ASP H H 1 9.155 0.02 . . . . . . A 173 ASP H . 30637 1 360 . 1 . 1 78 78 ASP CA C 13 53.389 0.07 . . . . . . A 173 ASP CA . 30637 1 361 . 1 . 1 78 78 ASP CB C 13 42.858 0.05 . . . . . . A 173 ASP CB . 30637 1 362 . 1 . 1 78 78 ASP N N 15 118.650 0.03 . . . . . . A 173 ASP N . 30637 1 363 . 1 . 1 79 79 LEU H H 1 7.853 0.01 . . . . . . A 174 LEU H . 30637 1 364 . 1 . 1 79 79 LEU HD11 H 1 0.721 0.00 . . . . . . A 174 LEU HD11 . 30637 1 365 . 1 . 1 79 79 LEU HD12 H 1 0.721 0.00 . . . . . . A 174 LEU HD12 . 30637 1 366 . 1 . 1 79 79 LEU HD13 H 1 0.721 0.00 . . . . . . A 174 LEU HD13 . 30637 1 367 . 1 . 1 79 79 LEU HD21 H 1 0.740 0.00 . . . . . . A 174 LEU HD21 . 30637 1 368 . 1 . 1 79 79 LEU HD22 H 1 0.740 0.00 . . . . . . A 174 LEU HD22 . 30637 1 369 . 1 . 1 79 79 LEU HD23 H 1 0.740 0.00 . . . . . . A 174 LEU HD23 . 30637 1 370 . 1 . 1 79 79 LEU CA C 13 53.357 0.00 . . . . . . A 174 LEU CA . 30637 1 371 . 1 . 1 79 79 LEU CB C 13 44.763 0.00 . . . . . . A 174 LEU CB . 30637 1 372 . 1 . 1 79 79 LEU CD1 C 13 26.659 0.00 . . . . . . A 174 LEU CD1 . 30637 1 373 . 1 . 1 79 79 LEU CD2 C 13 22.886 0.00 . . . . . . A 174 LEU CD2 . 30637 1 374 . 1 . 1 79 79 LEU N N 15 121.089 0.14 . . . . . . A 174 LEU N . 30637 1 375 . 1 . 1 80 80 LEU H H 1 9.392 0.01 . . . . . . A 175 LEU H . 30637 1 376 . 1 . 1 80 80 LEU HD11 H 1 0.728 0.00 . . . . . . A 175 LEU HD11 . 30637 1 377 . 1 . 1 80 80 LEU HD12 H 1 0.728 0.00 . . . . . . A 175 LEU HD12 . 30637 1 378 . 1 . 1 80 80 LEU HD13 H 1 0.728 0.00 . . . . . . A 175 LEU HD13 . 30637 1 379 . 1 . 1 80 80 LEU HD21 H 1 0.790 0.00 . . . . . . A 175 LEU HD21 . 30637 1 380 . 1 . 1 80 80 LEU HD22 H 1 0.790 0.00 . . . . . . A 175 LEU HD22 . 30637 1 381 . 1 . 1 80 80 LEU HD23 H 1 0.790 0.00 . . . . . . A 175 LEU HD23 . 30637 1 382 . 1 . 1 80 80 LEU CA C 13 53.409 0.00 . . . . . . A 175 LEU CA . 30637 1 383 . 1 . 1 80 80 LEU CB C 13 41.965 0.00 . . . . . . A 175 LEU CB . 30637 1 384 . 1 . 1 80 80 LEU CD1 C 13 23.700 0.00 . . . . . . A 175 LEU CD1 . 30637 1 385 . 1 . 1 80 80 LEU CD2 C 13 24.816 0.00 . . . . . . A 175 LEU CD2 . 30637 1 386 . 1 . 1 80 80 LEU N N 15 129.463 0.04 . . . . . . A 175 LEU N . 30637 1 387 . 1 . 1 81 81 LEU H H 1 8.902 0.03 . . . . . . A 176 LEU H . 30637 1 388 . 1 . 1 81 81 LEU HD11 H 1 0.762 0.00 . . . . . . A 176 LEU HD11 . 30637 1 389 . 1 . 1 81 81 LEU HD12 H 1 0.762 0.00 . . . . . . A 176 LEU HD12 . 30637 1 390 . 1 . 1 81 81 LEU HD13 H 1 0.762 0.00 . . . . . . A 176 LEU HD13 . 30637 1 391 . 1 . 1 81 81 LEU HD21 H 1 0.693 0.00 . . . . . . A 176 LEU HD21 . 30637 1 392 . 1 . 1 81 81 LEU HD22 H 1 0.693 0.00 . . . . . . A 176 LEU HD22 . 30637 1 393 . 1 . 1 81 81 LEU HD23 H 1 0.693 0.00 . . . . . . A 176 LEU HD23 . 30637 1 394 . 1 . 1 81 81 LEU CA C 13 52.466 0.00 . . . . . . A 176 LEU CA . 30637 1 395 . 1 . 1 81 81 LEU CB C 13 42.755 0.11 . . . . . . A 176 LEU CB . 30637 1 396 . 1 . 1 81 81 LEU CD1 C 13 27.188 0.00 . . . . . . A 176 LEU CD1 . 30637 1 397 . 1 . 1 81 81 LEU CD2 C 13 24.578 0.01 . . . . . . A 176 LEU CD2 . 30637 1 398 . 1 . 1 81 81 LEU N N 15 123.034 0.06 . . . . . . A 176 LEU N . 30637 1 399 . 1 . 1 82 82 VAL H H 1 8.868 0.05 . . . . . . A 177 VAL H . 30637 1 400 . 1 . 1 82 82 VAL HG11 H 1 0.845 0.00 . . . . . . A 177 VAL HG11 . 30637 1 401 . 1 . 1 82 82 VAL HG12 H 1 0.845 0.00 . . . . . . A 177 VAL HG12 . 30637 1 402 . 1 . 1 82 82 VAL HG13 H 1 0.845 0.00 . . . . . . A 177 VAL HG13 . 30637 1 403 . 1 . 1 82 82 VAL CA C 13 61.034 0.03 . . . . . . A 177 VAL CA . 30637 1 404 . 1 . 1 82 82 VAL CB C 13 32.950 0.00 . . . . . . A 177 VAL CB . 30637 1 405 . 1 . 1 82 82 VAL CG1 C 13 20.423 0.01 . . . . . . A 177 VAL CG1 . 30637 1 406 . 1 . 1 82 82 VAL N N 15 123.798 0.04 . . . . . . A 177 VAL N . 30637 1 407 . 1 . 1 83 83 VAL H H 1 9.060 0.00 . . . . . . A 178 VAL H . 30637 1 408 . 1 . 1 83 83 VAL HG11 H 1 0.921 0.00 . . . . . . A 178 VAL HG11 . 30637 1 409 . 1 . 1 83 83 VAL HG12 H 1 0.921 0.00 . . . . . . A 178 VAL HG12 . 30637 1 410 . 1 . 1 83 83 VAL HG13 H 1 0.921 0.00 . . . . . . A 178 VAL HG13 . 30637 1 411 . 1 . 1 83 83 VAL HG21 H 1 0.679 0.00 . . . . . . A 178 VAL HG21 . 30637 1 412 . 1 . 1 83 83 VAL HG22 H 1 0.679 0.00 . . . . . . A 178 VAL HG22 . 30637 1 413 . 1 . 1 83 83 VAL HG23 H 1 0.679 0.00 . . . . . . A 178 VAL HG23 . 30637 1 414 . 1 . 1 83 83 VAL CA C 13 64.471 0.00 . . . . . . A 178 VAL CA . 30637 1 415 . 1 . 1 83 83 VAL CB C 13 31.856 0.03 . . . . . . A 178 VAL CB . 30637 1 416 . 1 . 1 83 83 VAL CG1 C 13 22.092 0.00 . . . . . . A 178 VAL CG1 . 30637 1 417 . 1 . 1 83 83 VAL CG2 C 13 21.595 0.01 . . . . . . A 178 VAL CG2 . 30637 1 418 . 1 . 1 83 83 VAL N N 15 129.734 0.04 . . . . . . A 178 VAL N . 30637 1 419 . 1 . 1 84 84 ARG H H 1 8.244 0.05 . . . . . . A 179 ARG H . 30637 1 420 . 1 . 1 84 84 ARG CA C 13 53.290 0.02 . . . . . . A 179 ARG CA . 30637 1 421 . 1 . 1 84 84 ARG CB C 13 32.246 0.08 . . . . . . A 179 ARG CB . 30637 1 422 . 1 . 1 84 84 ARG N N 15 130.280 0.62 . . . . . . A 179 ARG N . 30637 1 423 . 1 . 1 85 85 LEU H H 1 9.105 0.03 . . . . . . A 180 LEU H . 30637 1 424 . 1 . 1 85 85 LEU HD11 H 1 0.850 0.00 . . . . . . A 180 LEU HD11 . 30637 1 425 . 1 . 1 85 85 LEU HD12 H 1 0.850 0.00 . . . . . . A 180 LEU HD12 . 30637 1 426 . 1 . 1 85 85 LEU HD13 H 1 0.850 0.00 . . . . . . A 180 LEU HD13 . 30637 1 427 . 1 . 1 85 85 LEU HD21 H 1 0.686 0.00 . . . . . . A 180 LEU HD21 . 30637 1 428 . 1 . 1 85 85 LEU HD22 H 1 0.686 0.00 . . . . . . A 180 LEU HD22 . 30637 1 429 . 1 . 1 85 85 LEU HD23 H 1 0.686 0.00 . . . . . . A 180 LEU HD23 . 30637 1 430 . 1 . 1 85 85 LEU CA C 13 53.605 0.00 . . . . . . A 180 LEU CA . 30637 1 431 . 1 . 1 85 85 LEU CB C 13 41.611 0.00 . . . . . . A 180 LEU CB . 30637 1 432 . 1 . 1 85 85 LEU CD1 C 13 25.984 0.00 . . . . . . A 180 LEU CD1 . 30637 1 433 . 1 . 1 85 85 LEU CD2 C 13 23.514 0.01 . . . . . . A 180 LEU CD2 . 30637 1 434 . 1 . 1 85 85 LEU N N 15 124.902 0.45 . . . . . . A 180 LEU N . 30637 1 435 . 1 . 1 86 86 LEU H H 1 8.789 0.09 . . . . . . A 181 LEU H . 30637 1 436 . 1 . 1 86 86 LEU HD11 H 1 0.953 0.00 . . . . . . A 181 LEU HD11 . 30637 1 437 . 1 . 1 86 86 LEU HD12 H 1 0.953 0.00 . . . . . . A 181 LEU HD12 . 30637 1 438 . 1 . 1 86 86 LEU HD13 H 1 0.953 0.00 . . . . . . A 181 LEU HD13 . 30637 1 439 . 1 . 1 86 86 LEU HD21 H 1 0.885 0.00 . . . . . . A 181 LEU HD21 . 30637 1 440 . 1 . 1 86 86 LEU HD22 H 1 0.885 0.00 . . . . . . A 181 LEU HD22 . 30637 1 441 . 1 . 1 86 86 LEU HD23 H 1 0.885 0.00 . . . . . . A 181 LEU HD23 . 30637 1 442 . 1 . 1 86 86 LEU CA C 13 52.989 0.00 . . . . . . A 181 LEU CA . 30637 1 443 . 1 . 1 86 86 LEU CB C 13 41.816 0.00 . . . . . . A 181 LEU CB . 30637 1 444 . 1 . 1 86 86 LEU CD1 C 13 22.604 0.00 . . . . . . A 181 LEU CD1 . 30637 1 445 . 1 . 1 86 86 LEU CD2 C 13 25.435 0.01 . . . . . . A 181 LEU CD2 . 30637 1 446 . 1 . 1 86 86 LEU N N 15 127.089 0.39 . . . . . . A 181 LEU N . 30637 1 447 . 1 . 1 88 88 HIS H H 1 9.174 0.00 . . . . . . A 183 HIS H . 30637 1 448 . 1 . 1 88 88 HIS N N 15 128.754 0.00 . . . . . . A 183 HIS N . 30637 1 449 . 1 . 1 90 90 VAL H H 1 10.243 0.00 . . . . . . A 185 VAL H . 30637 1 450 . 1 . 1 90 90 VAL HG11 H 1 0.833 0.00 . . . . . . A 185 VAL HG11 . 30637 1 451 . 1 . 1 90 90 VAL HG12 H 1 0.833 0.00 . . . . . . A 185 VAL HG12 . 30637 1 452 . 1 . 1 90 90 VAL HG13 H 1 0.833 0.00 . . . . . . A 185 VAL HG13 . 30637 1 453 . 1 . 1 90 90 VAL HG21 H 1 0.114 0.00 . . . . . . A 185 VAL HG21 . 30637 1 454 . 1 . 1 90 90 VAL HG22 H 1 0.114 0.00 . . . . . . A 185 VAL HG22 . 30637 1 455 . 1 . 1 90 90 VAL HG23 H 1 0.114 0.00 . . . . . . A 185 VAL HG23 . 30637 1 456 . 1 . 1 90 90 VAL CG1 C 13 21.161 0.00 . . . . . . A 185 VAL CG1 . 30637 1 457 . 1 . 1 90 90 VAL CG2 C 13 20.575 0.00 . . . . . . A 185 VAL CG2 . 30637 1 458 . 1 . 1 90 90 VAL N N 15 121.653 0.00 . . . . . . A 185 VAL N . 30637 1 459 . 1 . 1 91 91 PHE H H 1 8.452 0.00 . . . . . . A 186 PHE H . 30637 1 460 . 1 . 1 91 91 PHE N N 15 118.117 0.00 . . . . . . A 186 PHE N . 30637 1 461 . 1 . 1 92 92 ARG H H 1 9.049 0.00 . . . . . . A 187 ARG H . 30637 1 462 . 1 . 1 92 92 ARG N N 15 120.162 0.00 . . . . . . A 187 ARG N . 30637 1 463 . 1 . 1 93 93 LEU H H 1 8.752 0.00 . . . . . . A 188 LEU H . 30637 1 464 . 1 . 1 93 93 LEU HD11 H 1 0.171 0.00 . . . . . . A 188 LEU HD11 . 30637 1 465 . 1 . 1 93 93 LEU HD12 H 1 0.171 0.00 . . . . . . A 188 LEU HD12 . 30637 1 466 . 1 . 1 93 93 LEU HD13 H 1 0.171 0.00 . . . . . . A 188 LEU HD13 . 30637 1 467 . 1 . 1 93 93 LEU HD21 H 1 0.239 0.00 . . . . . . A 188 LEU HD21 . 30637 1 468 . 1 . 1 93 93 LEU HD22 H 1 0.239 0.00 . . . . . . A 188 LEU HD22 . 30637 1 469 . 1 . 1 93 93 LEU HD23 H 1 0.239 0.00 . . . . . . A 188 LEU HD23 . 30637 1 470 . 1 . 1 93 93 LEU CD1 C 13 25.737 0.00 . . . . . . A 188 LEU CD1 . 30637 1 471 . 1 . 1 93 93 LEU CD2 C 13 23.220 0.00 . . . . . . A 188 LEU CD2 . 30637 1 472 . 1 . 1 93 93 LEU N N 15 126.813 0.00 . . . . . . A 188 LEU N . 30637 1 473 . 1 . 1 94 94 GLU H H 1 9.289 0.00 . . . . . . A 189 GLU H . 30637 1 474 . 1 . 1 94 94 GLU N N 15 129.321 0.00 . . . . . . A 189 GLU N . 30637 1 475 . 1 . 1 96 96 GLN H H 1 8.706 0.00 . . . . . . A 191 GLN H . 30637 1 476 . 1 . 1 96 96 GLN CA C 13 56.368 0.00 . . . . . . A 191 GLN CA . 30637 1 477 . 1 . 1 96 96 GLN CB C 13 29.431 0.00 . . . . . . A 191 GLN CB . 30637 1 478 . 1 . 1 96 96 GLN N N 15 120.785 0.01 . . . . . . A 191 GLN N . 30637 1 479 . 1 . 1 97 97 ASP H H 1 8.519 0.00 . . . . . . A 192 ASP H . 30637 1 480 . 1 . 1 97 97 ASP N N 15 122.845 0.00 . . . . . . A 192 ASP N . 30637 1 481 . 1 . 1 98 98 LEU H H 1 8.811 0.00 . . . . . . A 193 LEU H . 30637 1 482 . 1 . 1 98 98 LEU HD11 H 1 0.614 0.00 . . . . . . A 193 LEU HD11 . 30637 1 483 . 1 . 1 98 98 LEU HD12 H 1 0.614 0.00 . . . . . . A 193 LEU HD12 . 30637 1 484 . 1 . 1 98 98 LEU HD13 H 1 0.614 0.00 . . . . . . A 193 LEU HD13 . 30637 1 485 . 1 . 1 98 98 LEU HD21 H 1 0.716 0.00 . . . . . . A 193 LEU HD21 . 30637 1 486 . 1 . 1 98 98 LEU HD22 H 1 0.716 0.00 . . . . . . A 193 LEU HD22 . 30637 1 487 . 1 . 1 98 98 LEU HD23 H 1 0.716 0.00 . . . . . . A 193 LEU HD23 . 30637 1 488 . 1 . 1 98 98 LEU CD1 C 13 25.892 0.00 . . . . . . A 193 LEU CD1 . 30637 1 489 . 1 . 1 98 98 LEU CD2 C 13 24.684 0.00 . . . . . . A 193 LEU CD2 . 30637 1 490 . 1 . 1 98 98 LEU N N 15 119.796 0.00 . . . . . . A 193 LEU N . 30637 1 491 . 1 . 1 99 99 TYR H H 1 9.224 0.00 . . . . . . A 194 TYR H . 30637 1 492 . 1 . 1 99 99 TYR N N 15 119.327 0.02 . . . . . . A 194 TYR N . 30637 1 493 . 1 . 1 100 100 ALA H H 1 8.928 0.01 . . . . . . A 195 ALA H . 30637 1 494 . 1 . 1 100 100 ALA HB1 H 1 1.278 0.00 . . . . . . A 195 ALA HB1 . 30637 1 495 . 1 . 1 100 100 ALA HB2 H 1 1.278 0.00 . . . . . . A 195 ALA HB2 . 30637 1 496 . 1 . 1 100 100 ALA HB3 H 1 1.278 0.00 . . . . . . A 195 ALA HB3 . 30637 1 497 . 1 . 1 100 100 ALA CA C 13 51.129 0.00 . . . . . . A 195 ALA CA . 30637 1 498 . 1 . 1 100 100 ALA CB C 13 23.523 0.54 . . . . . . A 195 ALA CB . 30637 1 499 . 1 . 1 100 100 ALA N N 15 124.286 0.86 . . . . . . A 195 ALA N . 30637 1 500 . 1 . 1 101 101 THR H H 1 8.919 0.00 . . . . . . A 196 THR H . 30637 1 501 . 1 . 1 101 101 THR HG21 H 1 1.195 0.00 . . . . . . A 196 THR HG21 . 30637 1 502 . 1 . 1 101 101 THR HG22 H 1 1.195 0.00 . . . . . . A 196 THR HG22 . 30637 1 503 . 1 . 1 101 101 THR HG23 H 1 1.195 0.00 . . . . . . A 196 THR HG23 . 30637 1 504 . 1 . 1 101 101 THR CA C 13 62.031 0.00 . . . . . . A 196 THR CA . 30637 1 505 . 1 . 1 101 101 THR CB C 13 70.995 0.00 . . . . . . A 196 THR CB . 30637 1 506 . 1 . 1 101 101 THR CG2 C 13 22.434 0.00 . . . . . . A 196 THR CG2 . 30637 1 507 . 1 . 1 101 101 THR N N 15 116.757 0.00 . . . . . . A 196 THR N . 30637 1 508 . 1 . 1 102 102 LEU H H 1 8.755 0.06 . . . . . . A 197 LEU H . 30637 1 509 . 1 . 1 102 102 LEU HD11 H 1 0.573 0.00 . . . . . . A 197 LEU HD11 . 30637 1 510 . 1 . 1 102 102 LEU HD12 H 1 0.573 0.00 . . . . . . A 197 LEU HD12 . 30637 1 511 . 1 . 1 102 102 LEU HD13 H 1 0.573 0.00 . . . . . . A 197 LEU HD13 . 30637 1 512 . 1 . 1 102 102 LEU HD21 H 1 0.938 0.00 . . . . . . A 197 LEU HD21 . 30637 1 513 . 1 . 1 102 102 LEU HD22 H 1 0.938 0.00 . . . . . . A 197 LEU HD22 . 30637 1 514 . 1 . 1 102 102 LEU HD23 H 1 0.938 0.00 . . . . . . A 197 LEU HD23 . 30637 1 515 . 1 . 1 102 102 LEU CA C 13 53.084 0.08 . . . . . . A 197 LEU CA . 30637 1 516 . 1 . 1 102 102 LEU CB C 13 47.282 0.01 . . . . . . A 197 LEU CB . 30637 1 517 . 1 . 1 102 102 LEU CD1 C 13 26.287 0.00 . . . . . . A 197 LEU CD1 . 30637 1 518 . 1 . 1 102 102 LEU CD2 C 13 23.565 0.00 . . . . . . A 197 LEU CD2 . 30637 1 519 . 1 . 1 102 102 LEU N N 15 126.971 0.78 . . . . . . A 197 LEU N . 30637 1 520 . 1 . 1 103 103 ASP H H 1 8.625 0.01 . . . . . . A 198 ASP H . 30637 1 521 . 1 . 1 103 103 ASP CA C 13 54.178 0.03 . . . . . . A 198 ASP CA . 30637 1 522 . 1 . 1 103 103 ASP CB C 13 40.782 0.00 . . . . . . A 198 ASP CB . 30637 1 523 . 1 . 1 103 103 ASP N N 15 129.669 0.01 . . . . . . A 198 ASP N . 30637 1 524 . 1 . 1 104 104 VAL H H 1 9.249 0.00 . . . . . . A 199 VAL H . 30637 1 525 . 1 . 1 104 104 VAL HG11 H 1 0.802 0.00 . . . . . . A 199 VAL HG11 . 30637 1 526 . 1 . 1 104 104 VAL HG12 H 1 0.802 0.00 . . . . . . A 199 VAL HG12 . 30637 1 527 . 1 . 1 104 104 VAL HG13 H 1 0.802 0.00 . . . . . . A 199 VAL HG13 . 30637 1 528 . 1 . 1 104 104 VAL HG21 H 1 0.854 0.00 . . . . . . A 199 VAL HG21 . 30637 1 529 . 1 . 1 104 104 VAL HG22 H 1 0.854 0.00 . . . . . . A 199 VAL HG22 . 30637 1 530 . 1 . 1 104 104 VAL HG23 H 1 0.854 0.00 . . . . . . A 199 VAL HG23 . 30637 1 531 . 1 . 1 104 104 VAL CA C 13 58.722 0.00 . . . . . . A 199 VAL CA . 30637 1 532 . 1 . 1 104 104 VAL CB C 13 35.010 0.00 . . . . . . A 199 VAL CB . 30637 1 533 . 1 . 1 104 104 VAL CG1 C 13 21.793 0.00 . . . . . . A 199 VAL CG1 . 30637 1 534 . 1 . 1 104 104 VAL CG2 C 13 22.917 0.00 . . . . . . A 199 VAL CG2 . 30637 1 535 . 1 . 1 104 104 VAL N N 15 124.840 0.05 . . . . . . A 199 VAL N . 30637 1 536 . 1 . 1 105 105 PRO CA C 13 62.470 0.00 . . . . . . A 200 PRO CA . 30637 1 537 . 1 . 1 105 105 PRO CB C 13 33.261 0.00 . . . . . . A 200 PRO CB . 30637 1 538 . 1 . 1 106 106 ALA H H 1 9.022 0.00 . . . . . . A 201 ALA H . 30637 1 539 . 1 . 1 106 106 ALA HB1 H 1 1.455 0.00 . . . . . . A 201 ALA HB1 . 30637 1 540 . 1 . 1 106 106 ALA HB2 H 1 1.455 0.00 . . . . . . A 201 ALA HB2 . 30637 1 541 . 1 . 1 106 106 ALA HB3 H 1 1.455 0.00 . . . . . . A 201 ALA HB3 . 30637 1 542 . 1 . 1 106 106 ALA CA C 13 57.166 0.00 . . . . . . A 201 ALA CA . 30637 1 543 . 1 . 1 106 106 ALA CB C 13 16.102 0.07 . . . . . . A 201 ALA CB . 30637 1 544 . 1 . 1 106 106 ALA N N 15 127.254 0.13 . . . . . . A 201 ALA N . 30637 1 545 . 1 . 1 107 107 PRO CA C 13 66.199 0.00 . . . . . . A 202 PRO CA . 30637 1 546 . 1 . 1 107 107 PRO CB C 13 31.426 0.00 . . . . . . A 202 PRO CB . 30637 1 547 . 1 . 1 108 108 ILE H H 1 7.146 0.00 . . . . . . A 203 ILE H . 30637 1 548 . 1 . 1 108 108 ILE HD11 H 1 0.790 0.00 . . . . . . A 203 ILE HD11 . 30637 1 549 . 1 . 1 108 108 ILE HD12 H 1 0.790 0.00 . . . . . . A 203 ILE HD12 . 30637 1 550 . 1 . 1 108 108 ILE HD13 H 1 0.790 0.00 . . . . . . A 203 ILE HD13 . 30637 1 551 . 1 . 1 108 108 ILE CA C 13 62.680 0.01 . . . . . . A 203 ILE CA . 30637 1 552 . 1 . 1 108 108 ILE CB C 13 36.685 0.01 . . . . . . A 203 ILE CB . 30637 1 553 . 1 . 1 108 108 ILE CD1 C 13 11.565 0.00 . . . . . . A 203 ILE CD1 . 30637 1 554 . 1 . 1 108 108 ILE N N 15 116.547 0.03 . . . . . . A 203 ILE N . 30637 1 555 . 1 . 1 109 109 ALA H H 1 7.557 0.01 . . . . . . A 204 ALA H . 30637 1 556 . 1 . 1 109 109 ALA HB1 H 1 1.378 0.00 . . . . . . A 204 ALA HB1 . 30637 1 557 . 1 . 1 109 109 ALA HB2 H 1 1.378 0.00 . . . . . . A 204 ALA HB2 . 30637 1 558 . 1 . 1 109 109 ALA HB3 H 1 1.378 0.00 . . . . . . A 204 ALA HB3 . 30637 1 559 . 1 . 1 109 109 ALA CA C 13 55.002 0.01 . . . . . . A 204 ALA CA . 30637 1 560 . 1 . 1 109 109 ALA CB C 13 17.365 0.06 . . . . . . A 204 ALA CB . 30637 1 561 . 1 . 1 109 109 ALA N N 15 121.792 0.09 . . . . . . A 204 ALA N . 30637 1 562 . 1 . 1 110 110 VAL H H 1 7.323 0.01 . . . . . . A 205 VAL H . 30637 1 563 . 1 . 1 110 110 VAL HG11 H 1 0.954 0.00 . . . . . . A 205 VAL HG11 . 30637 1 564 . 1 . 1 110 110 VAL HG12 H 1 0.954 0.00 . . . . . . A 205 VAL HG12 . 30637 1 565 . 1 . 1 110 110 VAL HG13 H 1 0.954 0.00 . . . . . . A 205 VAL HG13 . 30637 1 566 . 1 . 1 110 110 VAL HG21 H 1 1.071 0.00 . . . . . . A 205 VAL HG21 . 30637 1 567 . 1 . 1 110 110 VAL HG22 H 1 1.071 0.00 . . . . . . A 205 VAL HG22 . 30637 1 568 . 1 . 1 110 110 VAL HG23 H 1 1.071 0.00 . . . . . . A 205 VAL HG23 . 30637 1 569 . 1 . 1 110 110 VAL CA C 13 67.056 0.00 . . . . . . A 205 VAL CA . 30637 1 570 . 1 . 1 110 110 VAL CB C 13 32.262 0.09 . . . . . . A 205 VAL CB . 30637 1 571 . 1 . 1 110 110 VAL CG1 C 13 21.151 0.00 . . . . . . A 205 VAL CG1 . 30637 1 572 . 1 . 1 110 110 VAL CG2 C 13 22.270 0.00 . . . . . . A 205 VAL CG2 . 30637 1 573 . 1 . 1 110 110 VAL N N 15 111.973 0.03 . . . . . . A 205 VAL N . 30637 1 574 . 1 . 1 111 111 VAL H H 1 7.198 0.00 . . . . . . A 206 VAL H . 30637 1 575 . 1 . 1 111 111 VAL HG11 H 1 1.158 0.00 . . . . . . A 206 VAL HG11 . 30637 1 576 . 1 . 1 111 111 VAL HG12 H 1 1.158 0.00 . . . . . . A 206 VAL HG12 . 30637 1 577 . 1 . 1 111 111 VAL HG13 H 1 1.158 0.00 . . . . . . A 206 VAL HG13 . 30637 1 578 . 1 . 1 111 111 VAL HG21 H 1 1.074 0.00 . . . . . . A 206 VAL HG21 . 30637 1 579 . 1 . 1 111 111 VAL HG22 H 1 1.074 0.00 . . . . . . A 206 VAL HG22 . 30637 1 580 . 1 . 1 111 111 VAL HG23 H 1 1.074 0.00 . . . . . . A 206 VAL HG23 . 30637 1 581 . 1 . 1 111 111 VAL CA C 13 63.214 0.00 . . . . . . A 206 VAL CA . 30637 1 582 . 1 . 1 111 111 VAL CB C 13 33.263 0.04 . . . . . . A 206 VAL CB . 30637 1 583 . 1 . 1 111 111 VAL CG1 C 13 19.489 0.00 . . . . . . A 206 VAL CG1 . 30637 1 584 . 1 . 1 111 111 VAL CG2 C 13 21.840 0.00 . . . . . . A 206 VAL CG2 . 30637 1 585 . 1 . 1 111 111 VAL N N 15 113.292 0.09 . . . . . . A 206 VAL N . 30637 1 586 . 1 . 1 112 112 GLY H H 1 8.434 0.00 . . . . . . A 207 GLY H . 30637 1 587 . 1 . 1 112 112 GLY CA C 13 43.789 0.04 . . . . . . A 207 GLY CA . 30637 1 588 . 1 . 1 112 112 GLY N N 15 113.713 0.01 . . . . . . A 207 GLY N . 30637 1 589 . 1 . 1 113 113 GLY H H 1 8.157 0.01 . . . . . . A 208 GLY H . 30637 1 590 . 1 . 1 113 113 GLY CA C 13 45.576 0.00 . . . . . . A 208 GLY CA . 30637 1 591 . 1 . 1 113 113 GLY N N 15 104.840 0.06 . . . . . . A 208 GLY N . 30637 1 592 . 1 . 1 114 114 LYS H H 1 8.435 0.01 . . . . . . A 209 LYS H . 30637 1 593 . 1 . 1 114 114 LYS CA C 13 55.210 0.01 . . . . . . A 209 LYS CA . 30637 1 594 . 1 . 1 114 114 LYS CB C 13 35.003 0.07 . . . . . . A 209 LYS CB . 30637 1 595 . 1 . 1 114 114 LYS N N 15 120.873 0.01 . . . . . . A 209 LYS N . 30637 1 596 . 1 . 1 115 115 VAL H H 1 8.701 0.01 . . . . . . A 210 VAL H . 30637 1 597 . 1 . 1 115 115 VAL HG11 H 1 0.796 0.00 . . . . . . A 210 VAL HG11 . 30637 1 598 . 1 . 1 115 115 VAL HG12 H 1 0.796 0.00 . . . . . . A 210 VAL HG12 . 30637 1 599 . 1 . 1 115 115 VAL HG13 H 1 0.796 0.00 . . . . . . A 210 VAL HG13 . 30637 1 600 . 1 . 1 115 115 VAL HG21 H 1 1.005 0.00 . . . . . . A 210 VAL HG21 . 30637 1 601 . 1 . 1 115 115 VAL HG22 H 1 1.005 0.00 . . . . . . A 210 VAL HG22 . 30637 1 602 . 1 . 1 115 115 VAL HG23 H 1 1.005 0.00 . . . . . . A 210 VAL HG23 . 30637 1 603 . 1 . 1 115 115 VAL CA C 13 59.858 0.00 . . . . . . A 210 VAL CA . 30637 1 604 . 1 . 1 115 115 VAL CB C 13 35.671 0.06 . . . . . . A 210 VAL CB . 30637 1 605 . 1 . 1 115 115 VAL CG1 C 13 20.499 0.00 . . . . . . A 210 VAL CG1 . 30637 1 606 . 1 . 1 115 115 VAL CG2 C 13 22.074 0.00 . . . . . . A 210 VAL CG2 . 30637 1 607 . 1 . 1 115 115 VAL N N 15 117.504 0.37 . . . . . . A 210 VAL N . 30637 1 608 . 1 . 1 116 116 ARG H H 1 8.519 0.01 . . . . . . A 211 ARG H . 30637 1 609 . 1 . 1 116 116 ARG CA C 13 55.972 0.05 . . . . . . A 211 ARG CA . 30637 1 610 . 1 . 1 116 116 ARG CB C 13 31.508 0.01 . . . . . . A 211 ARG CB . 30637 1 611 . 1 . 1 116 116 ARG N N 15 123.421 0.19 . . . . . . A 211 ARG N . 30637 1 612 . 1 . 1 117 117 ALA H H 1 9.053 0.03 . . . . . . A 212 ALA H . 30637 1 613 . 1 . 1 117 117 ALA HB1 H 1 1.189 0.00 . . . . . . A 212 ALA HB1 . 30637 1 614 . 1 . 1 117 117 ALA HB2 H 1 1.189 0.00 . . . . . . A 212 ALA HB2 . 30637 1 615 . 1 . 1 117 117 ALA HB3 H 1 1.189 0.00 . . . . . . A 212 ALA HB3 . 30637 1 616 . 1 . 1 117 117 ALA CA C 13 50.325 0.05 . . . . . . A 212 ALA CA . 30637 1 617 . 1 . 1 117 117 ALA CB C 13 22.578 0.24 . . . . . . A 212 ALA CB . 30637 1 618 . 1 . 1 117 117 ALA N N 15 127.346 0.02 . . . . . . A 212 ALA N . 30637 1 619 . 1 . 1 118 118 MET H H 1 8.514 0.03 . . . . . . A 213 MET H . 30637 1 620 . 1 . 1 118 118 MET HE1 H 1 2.123 0.00 . . . . . . A 213 MET HE1 . 30637 1 621 . 1 . 1 118 118 MET HE2 H 1 2.123 0.00 . . . . . . A 213 MET HE2 . 30637 1 622 . 1 . 1 118 118 MET HE3 H 1 2.123 0.00 . . . . . . A 213 MET HE3 . 30637 1 623 . 1 . 1 118 118 MET CE C 13 16.379 0.00 . . . . . . A 213 MET CE . 30637 1 624 . 1 . 1 118 118 MET N N 15 120.129 0.35 . . . . . . A 213 MET N . 30637 1 625 . 1 . 1 119 119 THR H H 1 7.356 0.00 . . . . . . A 214 THR H . 30637 1 626 . 1 . 1 119 119 THR HG21 H 1 1.041 0.00 . . . . . . A 214 THR HG21 . 30637 1 627 . 1 . 1 119 119 THR HG22 H 1 1.041 0.00 . . . . . . A 214 THR HG22 . 30637 1 628 . 1 . 1 119 119 THR HG23 H 1 1.041 0.00 . . . . . . A 214 THR HG23 . 30637 1 629 . 1 . 1 119 119 THR CA C 13 59.866 0.00 . . . . . . A 214 THR CA . 30637 1 630 . 1 . 1 119 119 THR CB C 13 72.145 0.00 . . . . . . A 214 THR CB . 30637 1 631 . 1 . 1 119 119 THR CG2 C 13 21.490 0.00 . . . . . . A 214 THR CG2 . 30637 1 632 . 1 . 1 119 119 THR N N 15 111.831 0.00 . . . . . . A 214 THR N . 30637 1 633 . 1 . 1 120 120 LEU H H 1 8.943 0.22 . . . . . . A 215 LEU H . 30637 1 634 . 1 . 1 120 120 LEU HD11 H 1 0.220 0.00 . . . . . . A 215 LEU HD11 . 30637 1 635 . 1 . 1 120 120 LEU HD12 H 1 0.220 0.00 . . . . . . A 215 LEU HD12 . 30637 1 636 . 1 . 1 120 120 LEU HD13 H 1 0.220 0.00 . . . . . . A 215 LEU HD13 . 30637 1 637 . 1 . 1 120 120 LEU HD21 H 1 0.328 0.00 . . . . . . A 215 LEU HD21 . 30637 1 638 . 1 . 1 120 120 LEU HD22 H 1 0.328 0.00 . . . . . . A 215 LEU HD22 . 30637 1 639 . 1 . 1 120 120 LEU HD23 H 1 0.328 0.00 . . . . . . A 215 LEU HD23 . 30637 1 640 . 1 . 1 120 120 LEU CA C 13 57.928 0.03 . . . . . . A 215 LEU CA . 30637 1 641 . 1 . 1 120 120 LEU CB C 13 41.577 0.03 . . . . . . A 215 LEU CB . 30637 1 642 . 1 . 1 120 120 LEU CD1 C 13 26.061 0.00 . . . . . . A 215 LEU CD1 . 30637 1 643 . 1 . 1 120 120 LEU CD2 C 13 23.584 0.00 . . . . . . A 215 LEU CD2 . 30637 1 644 . 1 . 1 120 120 LEU N N 15 120.911 0.26 . . . . . . A 215 LEU N . 30637 1 645 . 1 . 1 121 121 GLU H H 1 7.831 0.04 . . . . . . A 216 GLU H . 30637 1 646 . 1 . 1 121 121 GLU CA C 13 56.293 0.00 . . . . . . A 216 GLU CA . 30637 1 647 . 1 . 1 121 121 GLU CB C 13 30.029 0.00 . . . . . . A 216 GLU CB . 30637 1 648 . 1 . 1 121 121 GLU N N 15 115.187 0.11 . . . . . . A 216 GLU N . 30637 1 649 . 1 . 1 122 122 GLY H H 1 7.223 0.00 . . . . . . A 217 GLY H . 30637 1 650 . 1 . 1 122 122 GLY N N 15 108.030 0.00 . . . . . . A 217 GLY N . 30637 1 651 . 1 . 1 123 123 PRO CA C 13 62.922 0.00 . . . . . . A 218 PRO CA . 30637 1 652 . 1 . 1 123 123 PRO CB C 13 32.310 0.00 . . . . . . A 218 PRO CB . 30637 1 653 . 1 . 1 124 124 VAL H H 1 9.003 0.01 . . . . . . A 219 VAL H . 30637 1 654 . 1 . 1 124 124 VAL HG11 H 1 0.714 0.00 . . . . . . A 219 VAL HG11 . 30637 1 655 . 1 . 1 124 124 VAL HG12 H 1 0.714 0.00 . . . . . . A 219 VAL HG12 . 30637 1 656 . 1 . 1 124 124 VAL HG13 H 1 0.714 0.00 . . . . . . A 219 VAL HG13 . 30637 1 657 . 1 . 1 124 124 VAL HG21 H 1 0.773 0.00 . . . . . . A 219 VAL HG21 . 30637 1 658 . 1 . 1 124 124 VAL HG22 H 1 0.773 0.00 . . . . . . A 219 VAL HG22 . 30637 1 659 . 1 . 1 124 124 VAL HG23 H 1 0.773 0.00 . . . . . . A 219 VAL HG23 . 30637 1 660 . 1 . 1 124 124 VAL CA C 13 60.028 0.01 . . . . . . A 219 VAL CA . 30637 1 661 . 1 . 1 124 124 VAL CB C 13 35.971 0.01 . . . . . . A 219 VAL CB . 30637 1 662 . 1 . 1 124 124 VAL CG1 C 13 20.045 0.00 . . . . . . A 219 VAL CG1 . 30637 1 663 . 1 . 1 124 124 VAL CG2 C 13 21.351 0.00 . . . . . . A 219 VAL CG2 . 30637 1 664 . 1 . 1 124 124 VAL N N 15 119.237 0.47 . . . . . . A 219 VAL N . 30637 1 665 . 1 . 1 125 125 GLU H H 1 8.473 0.01 . . . . . . A 220 GLU H . 30637 1 666 . 1 . 1 125 125 GLU CA C 13 56.050 0.01 . . . . . . A 220 GLU CA . 30637 1 667 . 1 . 1 125 125 GLU CB C 13 31.091 0.02 . . . . . . A 220 GLU CB . 30637 1 668 . 1 . 1 125 125 GLU N N 15 123.004 0.23 . . . . . . A 220 GLU N . 30637 1 669 . 1 . 1 126 126 VAL H H 1 9.157 0.02 . . . . . . A 221 VAL H . 30637 1 670 . 1 . 1 126 126 VAL HG11 H 1 0.695 0.00 . . . . . . A 221 VAL HG11 . 30637 1 671 . 1 . 1 126 126 VAL HG12 H 1 0.695 0.00 . . . . . . A 221 VAL HG12 . 30637 1 672 . 1 . 1 126 126 VAL HG13 H 1 0.695 0.00 . . . . . . A 221 VAL HG13 . 30637 1 673 . 1 . 1 126 126 VAL HG21 H 1 0.737 0.00 . . . . . . A 221 VAL HG21 . 30637 1 674 . 1 . 1 126 126 VAL HG22 H 1 0.737 0.00 . . . . . . A 221 VAL HG22 . 30637 1 675 . 1 . 1 126 126 VAL HG23 H 1 0.737 0.00 . . . . . . A 221 VAL HG23 . 30637 1 676 . 1 . 1 126 126 VAL CA C 13 60.913 0.00 . . . . . . A 221 VAL CA . 30637 1 677 . 1 . 1 126 126 VAL CB C 13 34.294 0.02 . . . . . . A 221 VAL CB . 30637 1 678 . 1 . 1 126 126 VAL CG1 C 13 21.185 0.00 . . . . . . A 221 VAL CG1 . 30637 1 679 . 1 . 1 126 126 VAL CG2 C 13 21.834 0.00 . . . . . . A 221 VAL CG2 . 30637 1 680 . 1 . 1 126 126 VAL N N 15 125.356 0.29 . . . . . . A 221 VAL N . 30637 1 681 . 1 . 1 127 127 ALA H H 1 8.435 0.00 . . . . . . A 222 ALA H . 30637 1 682 . 1 . 1 127 127 ALA HB1 H 1 1.256 0.00 . . . . . . A 222 ALA HB1 . 30637 1 683 . 1 . 1 127 127 ALA HB2 H 1 1.256 0.00 . . . . . . A 222 ALA HB2 . 30637 1 684 . 1 . 1 127 127 ALA HB3 H 1 1.256 0.00 . . . . . . A 222 ALA HB3 . 30637 1 685 . 1 . 1 127 127 ALA CA C 13 51.449 0.00 . . . . . . A 222 ALA CA . 30637 1 686 . 1 . 1 127 127 ALA CB C 13 18.485 0.02 . . . . . . A 222 ALA CB . 30637 1 687 . 1 . 1 127 127 ALA N N 15 128.245 0.26 . . . . . . A 222 ALA N . 30637 1 688 . 1 . 1 128 128 VAL H H 1 8.956 0.01 . . . . . . A 223 VAL H . 30637 1 689 . 1 . 1 128 128 VAL HG11 H 1 0.913 0.00 . . . . . . A 223 VAL HG11 . 30637 1 690 . 1 . 1 128 128 VAL HG12 H 1 0.913 0.00 . . . . . . A 223 VAL HG12 . 30637 1 691 . 1 . 1 128 128 VAL HG13 H 1 0.913 0.00 . . . . . . A 223 VAL HG13 . 30637 1 692 . 1 . 1 128 128 VAL HG21 H 1 0.790 0.00 . . . . . . A 223 VAL HG21 . 30637 1 693 . 1 . 1 128 128 VAL HG22 H 1 0.790 0.00 . . . . . . A 223 VAL HG22 . 30637 1 694 . 1 . 1 128 128 VAL HG23 H 1 0.790 0.00 . . . . . . A 223 VAL HG23 . 30637 1 695 . 1 . 1 128 128 VAL CA C 13 59.449 0.00 . . . . . . A 223 VAL CA . 30637 1 696 . 1 . 1 128 128 VAL CB C 13 32.763 0.00 . . . . . . A 223 VAL CB . 30637 1 697 . 1 . 1 128 128 VAL CG1 C 13 20.937 0.00 . . . . . . A 223 VAL CG1 . 30637 1 698 . 1 . 1 128 128 VAL CG2 C 13 21.697 0.00 . . . . . . A 223 VAL CG2 . 30637 1 699 . 1 . 1 128 128 VAL N N 15 125.897 0.02 . . . . . . A 223 VAL N . 30637 1 700 . 1 . 1 130 130 PRO CA C 13 63.113 0.00 . . . . . . A 225 PRO CA . 30637 1 701 . 1 . 1 130 130 PRO CB C 13 32.180 0.00 . . . . . . A 225 PRO CB . 30637 1 702 . 1 . 1 131 131 ARG H H 1 8.359 0.00 . . . . . . A 226 ARG H . 30637 1 703 . 1 . 1 131 131 ARG CA C 13 56.814 0.00 . . . . . . A 226 ARG CA . 30637 1 704 . 1 . 1 131 131 ARG CB C 13 26.461 0.01 . . . . . . A 226 ARG CB . 30637 1 705 . 1 . 1 131 131 ARG N N 15 117.280 0.02 . . . . . . A 226 ARG N . 30637 1 706 . 1 . 1 132 132 THR H H 1 8.540 0.01 . . . . . . A 227 THR H . 30637 1 707 . 1 . 1 132 132 THR HG21 H 1 1.109 0.00 . . . . . . A 227 THR HG21 . 30637 1 708 . 1 . 1 132 132 THR HG22 H 1 1.109 0.00 . . . . . . A 227 THR HG22 . 30637 1 709 . 1 . 1 132 132 THR HG23 H 1 1.109 0.00 . . . . . . A 227 THR HG23 . 30637 1 710 . 1 . 1 132 132 THR CA C 13 66.050 0.02 . . . . . . A 227 THR CA . 30637 1 711 . 1 . 1 132 132 THR CB C 13 69.282 0.00 . . . . . . A 227 THR CB . 30637 1 712 . 1 . 1 132 132 THR CG2 C 13 23.221 0.00 . . . . . . A 227 THR CG2 . 30637 1 713 . 1 . 1 132 132 THR N N 15 120.079 0.02 . . . . . . A 227 THR N . 30637 1 714 . 1 . 1 133 133 GLN H H 1 8.189 0.00 . . . . . . A 228 GLN H . 30637 1 715 . 1 . 1 133 133 GLN CA C 13 53.511 0.00 . . . . . . A 228 GLN CA . 30637 1 716 . 1 . 1 133 133 GLN CB C 13 31.505 0.01 . . . . . . A 228 GLN CB . 30637 1 717 . 1 . 1 133 133 GLN N N 15 125.362 0.08 . . . . . . A 228 GLN N . 30637 1 718 . 1 . 1 134 134 ALA H H 1 8.543 0.00 . . . . . . A 229 ALA H . 30637 1 719 . 1 . 1 134 134 ALA HB1 H 1 1.467 0.00 . . . . . . A 229 ALA HB1 . 30637 1 720 . 1 . 1 134 134 ALA HB2 H 1 1.467 0.00 . . . . . . A 229 ALA HB2 . 30637 1 721 . 1 . 1 134 134 ALA HB3 H 1 1.467 0.00 . . . . . . A 229 ALA HB3 . 30637 1 722 . 1 . 1 134 134 ALA CA C 13 53.656 0.03 . . . . . . A 229 ALA CA . 30637 1 723 . 1 . 1 134 134 ALA CB C 13 18.551 0.05 . . . . . . A 229 ALA CB . 30637 1 724 . 1 . 1 134 134 ALA N N 15 121.867 0.12 . . . . . . A 229 ALA N . 30637 1 725 . 1 . 1 135 135 GLY H H 1 9.135 0.01 . . . . . . A 230 GLY H . 30637 1 726 . 1 . 1 135 135 GLY CA C 13 45.016 0.00 . . . . . . A 230 GLY CA . 30637 1 727 . 1 . 1 135 135 GLY N N 15 111.186 0.03 . . . . . . A 230 GLY N . 30637 1 728 . 1 . 1 136 136 ARG H H 1 7.623 0.01 . . . . . . A 231 ARG H . 30637 1 729 . 1 . 1 136 136 ARG CA C 13 56.832 0.02 . . . . . . A 231 ARG CA . 30637 1 730 . 1 . 1 136 136 ARG CB C 13 30.753 0.02 . . . . . . A 231 ARG CB . 30637 1 731 . 1 . 1 136 136 ARG N N 15 121.867 0.01 . . . . . . A 231 ARG N . 30637 1 732 . 1 . 1 137 137 LYS H H 1 8.732 0.01 . . . . . . A 232 LYS H . 30637 1 733 . 1 . 1 137 137 LYS CA C 13 54.897 0.04 . . . . . . A 232 LYS CA . 30637 1 734 . 1 . 1 137 137 LYS CB C 13 33.861 0.00 . . . . . . A 232 LYS CB . 30637 1 735 . 1 . 1 137 137 LYS N N 15 124.074 0.07 . . . . . . A 232 LYS N . 30637 1 736 . 1 . 1 138 138 LEU H H 1 9.373 0.04 . . . . . . A 233 LEU H . 30637 1 737 . 1 . 1 138 138 LEU HD11 H 1 0.749 0.00 . . . . . . A 233 LEU HD11 . 30637 1 738 . 1 . 1 138 138 LEU HD12 H 1 0.749 0.00 . . . . . . A 233 LEU HD12 . 30637 1 739 . 1 . 1 138 138 LEU HD13 H 1 0.749 0.00 . . . . . . A 233 LEU HD13 . 30637 1 740 . 1 . 1 138 138 LEU HD21 H 1 0.830 0.00 . . . . . . A 233 LEU HD21 . 30637 1 741 . 1 . 1 138 138 LEU HD22 H 1 0.830 0.00 . . . . . . A 233 LEU HD22 . 30637 1 742 . 1 . 1 138 138 LEU HD23 H 1 0.830 0.00 . . . . . . A 233 LEU HD23 . 30637 1 743 . 1 . 1 138 138 LEU CA C 13 53.656 0.00 . . . . . . A 233 LEU CA . 30637 1 744 . 1 . 1 138 138 LEU CB C 13 42.475 0.10 . . . . . . A 233 LEU CB . 30637 1 745 . 1 . 1 138 138 LEU CD1 C 13 25.825 0.00 . . . . . . A 233 LEU CD1 . 30637 1 746 . 1 . 1 138 138 LEU CD2 C 13 22.627 0.00 . . . . . . A 233 LEU CD2 . 30637 1 747 . 1 . 1 138 138 LEU N N 15 126.843 0.11 . . . . . . A 233 LEU N . 30637 1 748 . 1 . 1 139 139 ARG H H 1 8.590 0.01 . . . . . . A 234 ARG H . 30637 1 749 . 1 . 1 139 139 ARG CA C 13 55.169 0.00 . . . . . . A 234 ARG CA . 30637 1 750 . 1 . 1 139 139 ARG CB C 13 32.772 0.01 . . . . . . A 234 ARG CB . 30637 1 751 . 1 . 1 139 139 ARG N N 15 123.476 0.07 . . . . . . A 234 ARG N . 30637 1 752 . 1 . 1 140 140 LEU H H 1 9.485 0.03 . . . . . . A 235 LEU H . 30637 1 753 . 1 . 1 140 140 LEU HD11 H 1 0.776 0.00 . . . . . . A 235 LEU HD11 . 30637 1 754 . 1 . 1 140 140 LEU HD12 H 1 0.776 0.00 . . . . . . A 235 LEU HD12 . 30637 1 755 . 1 . 1 140 140 LEU HD13 H 1 0.776 0.00 . . . . . . A 235 LEU HD13 . 30637 1 756 . 1 . 1 140 140 LEU HD21 H 1 0.713 0.00 . . . . . . A 235 LEU HD21 . 30637 1 757 . 1 . 1 140 140 LEU HD22 H 1 0.713 0.00 . . . . . . A 235 LEU HD22 . 30637 1 758 . 1 . 1 140 140 LEU HD23 H 1 0.713 0.00 . . . . . . A 235 LEU HD23 . 30637 1 759 . 1 . 1 140 140 LEU CA C 13 53.820 0.01 . . . . . . A 235 LEU CA . 30637 1 760 . 1 . 1 140 140 LEU CB C 13 41.306 0.03 . . . . . . A 235 LEU CB . 30637 1 761 . 1 . 1 140 140 LEU CD1 C 13 24.306 0.00 . . . . . . A 235 LEU CD1 . 30637 1 762 . 1 . 1 140 140 LEU CD2 C 13 24.914 0.00 . . . . . . A 235 LEU CD2 . 30637 1 763 . 1 . 1 140 140 LEU N N 15 130.715 0.04 . . . . . . A 235 LEU N . 30637 1 764 . 1 . 1 141 141 LYS H H 1 8.589 0.00 . . . . . . A 236 LYS H . 30637 1 765 . 1 . 1 141 141 LYS CA C 13 56.768 0.00 . . . . . . A 236 LYS CA . 30637 1 766 . 1 . 1 141 141 LYS CB C 13 32.226 0.02 . . . . . . A 236 LYS CB . 30637 1 767 . 1 . 1 141 141 LYS N N 15 126.807 0.04 . . . . . . A 236 LYS N . 30637 1 768 . 1 . 1 142 142 GLY H H 1 9.355 0.04 . . . . . . A 237 GLY H . 30637 1 769 . 1 . 1 142 142 GLY CA C 13 47.050 0.02 . . . . . . A 237 GLY CA . 30637 1 770 . 1 . 1 142 142 GLY N N 15 113.082 0.12 . . . . . . A 237 GLY N . 30637 1 771 . 1 . 1 143 143 LYS H H 1 6.549 0.03 . . . . . . A 238 LYS H . 30637 1 772 . 1 . 1 143 143 LYS CA C 13 54.015 0.03 . . . . . . A 238 LYS CA . 30637 1 773 . 1 . 1 143 143 LYS CB C 13 32.068 0.01 . . . . . . A 238 LYS CB . 30637 1 774 . 1 . 1 143 143 LYS N N 15 114.309 0.07 . . . . . . A 238 LYS N . 30637 1 775 . 1 . 1 144 144 GLY H H 1 8.197 0.01 . . . . . . A 239 GLY H . 30637 1 776 . 1 . 1 144 144 GLY CA C 13 43.462 0.00 . . . . . . A 239 GLY CA . 30637 1 777 . 1 . 1 144 144 GLY N N 15 107.864 0.20 . . . . . . A 239 GLY N . 30637 1 778 . 1 . 1 145 145 PHE H H 1 9.088 0.00 . . . . . . A 240 PHE H . 30637 1 779 . 1 . 1 145 145 PHE N N 15 125.499 0.00 . . . . . . A 240 PHE N . 30637 1 780 . 1 . 1 146 146 PRO CA C 13 63.357 0.00 . . . . . . A 241 PRO CA . 30637 1 781 . 1 . 1 146 146 PRO CB C 13 32.373 0.00 . . . . . . A 241 PRO CB . 30637 1 782 . 1 . 1 147 147 GLY H H 1 7.820 0.04 . . . . . . A 242 GLY H . 30637 1 783 . 1 . 1 147 147 GLY CA C 13 45.032 0.00 . . . . . . A 242 GLY CA . 30637 1 784 . 1 . 1 147 147 GLY N N 15 109.540 0.37 . . . . . . A 242 GLY N . 30637 1 785 . 1 . 1 148 148 PRO CA C 13 64.945 0.00 . . . . . . A 243 PRO CA . 30637 1 786 . 1 . 1 148 148 PRO CB C 13 31.999 0.00 . . . . . . A 243 PRO CB . 30637 1 787 . 1 . 1 149 149 ALA H H 1 8.608 0.02 . . . . . . A 244 ALA H . 30637 1 788 . 1 . 1 149 149 ALA HB1 H 1 1.332 0.00 . . . . . . A 244 ALA HB1 . 30637 1 789 . 1 . 1 149 149 ALA HB2 H 1 1.332 0.00 . . . . . . A 244 ALA HB2 . 30637 1 790 . 1 . 1 149 149 ALA HB3 H 1 1.332 0.00 . . . . . . A 244 ALA HB3 . 30637 1 791 . 1 . 1 149 149 ALA CA C 13 51.284 0.02 . . . . . . A 244 ALA CA . 30637 1 792 . 1 . 1 149 149 ALA CB C 13 18.950 0.06 . . . . . . A 244 ALA CB . 30637 1 793 . 1 . 1 149 149 ALA N N 15 119.997 0.04 . . . . . . A 244 ALA N . 30637 1 794 . 1 . 1 150 150 GLY H H 1 7.522 0.01 . . . . . . A 245 GLY H . 30637 1 795 . 1 . 1 150 150 GLY CA C 13 44.189 0.02 . . . . . . A 245 GLY CA . 30637 1 796 . 1 . 1 150 150 GLY N N 15 108.044 0.03 . . . . . . A 245 GLY N . 30637 1 797 . 1 . 1 151 151 ARG H H 1 8.500 0.02 . . . . . . A 246 ARG H . 30637 1 798 . 1 . 1 151 151 ARG CA C 13 56.054 0.00 . . . . . . A 246 ARG CA . 30637 1 799 . 1 . 1 151 151 ARG N N 15 119.899 0.39 . . . . . . A 246 ARG N . 30637 1 800 . 1 . 1 152 152 GLY H H 1 8.105 0.00 . . . . . . A 247 GLY H . 30637 1 801 . 1 . 1 152 152 GLY N N 15 107.086 0.00 . . . . . . A 247 GLY N . 30637 1 802 . 1 . 1 153 153 ASP H H 1 9.283 0.10 . . . . . . A 248 ASP H . 30637 1 803 . 1 . 1 153 153 ASP CA C 13 53.749 0.05 . . . . . . A 248 ASP CA . 30637 1 804 . 1 . 1 153 153 ASP CB C 13 43.984 0.11 . . . . . . A 248 ASP CB . 30637 1 805 . 1 . 1 153 153 ASP N N 15 119.505 0.21 . . . . . . A 248 ASP N . 30637 1 806 . 1 . 1 154 154 LEU H H 1 7.645 0.03 . . . . . . A 249 LEU H . 30637 1 807 . 1 . 1 154 154 LEU HD11 H 1 0.856 0.00 . . . . . . A 249 LEU HD11 . 30637 1 808 . 1 . 1 154 154 LEU HD12 H 1 0.856 0.00 . . . . . . A 249 LEU HD12 . 30637 1 809 . 1 . 1 154 154 LEU HD13 H 1 0.856 0.00 . . . . . . A 249 LEU HD13 . 30637 1 810 . 1 . 1 154 154 LEU HD21 H 1 0.825 0.00 . . . . . . A 249 LEU HD21 . 30637 1 811 . 1 . 1 154 154 LEU HD22 H 1 0.825 0.00 . . . . . . A 249 LEU HD22 . 30637 1 812 . 1 . 1 154 154 LEU HD23 H 1 0.825 0.00 . . . . . . A 249 LEU HD23 . 30637 1 813 . 1 . 1 154 154 LEU CA C 13 52.845 0.00 . . . . . . A 249 LEU CA . 30637 1 814 . 1 . 1 154 154 LEU CB C 13 45.796 0.02 . . . . . . A 249 LEU CB . 30637 1 815 . 1 . 1 154 154 LEU CD1 C 13 26.688 0.00 . . . . . . A 249 LEU CD1 . 30637 1 816 . 1 . 1 154 154 LEU CD2 C 13 24.082 0.00 . . . . . . A 249 LEU CD2 . 30637 1 817 . 1 . 1 154 154 LEU N N 15 121.069 0.38 . . . . . . A 249 LEU N . 30637 1 818 . 1 . 1 155 155 TYR H H 1 9.257 0.08 . . . . . . A 250 TYR H . 30637 1 819 . 1 . 1 155 155 TYR CA C 13 57.106 0.01 . . . . . . A 250 TYR CA . 30637 1 820 . 1 . 1 155 155 TYR CB C 13 41.017 0.03 . . . . . . A 250 TYR CB . 30637 1 821 . 1 . 1 155 155 TYR N N 15 125.727 0.08 . . . . . . A 250 TYR N . 30637 1 822 . 1 . 1 156 156 LEU H H 1 9.032 0.01 . . . . . . A 251 LEU H . 30637 1 823 . 1 . 1 156 156 LEU HD11 H 1 0.813 0.00 . . . . . . A 251 LEU HD11 . 30637 1 824 . 1 . 1 156 156 LEU HD12 H 1 0.813 0.00 . . . . . . A 251 LEU HD12 . 30637 1 825 . 1 . 1 156 156 LEU HD13 H 1 0.813 0.00 . . . . . . A 251 LEU HD13 . 30637 1 826 . 1 . 1 156 156 LEU HD21 H 1 0.763 0.00 . . . . . . A 251 LEU HD21 . 30637 1 827 . 1 . 1 156 156 LEU HD22 H 1 0.763 0.00 . . . . . . A 251 LEU HD22 . 30637 1 828 . 1 . 1 156 156 LEU HD23 H 1 0.763 0.00 . . . . . . A 251 LEU HD23 . 30637 1 829 . 1 . 1 156 156 LEU CA C 13 51.974 0.00 . . . . . . A 251 LEU CA . 30637 1 830 . 1 . 1 156 156 LEU CB C 13 43.958 0.00 . . . . . . A 251 LEU CB . 30637 1 831 . 1 . 1 156 156 LEU CD1 C 13 24.020 0.00 . . . . . . A 251 LEU CD1 . 30637 1 832 . 1 . 1 156 156 LEU CD2 C 13 27.237 0.00 . . . . . . A 251 LEU CD2 . 30637 1 833 . 1 . 1 156 156 LEU N N 15 122.526 0.05 . . . . . . A 251 LEU N . 30637 1 834 . 1 . 1 157 157 GLU H H 1 9.036 0.03 . . . . . . A 252 GLU H . 30637 1 835 . 1 . 1 157 157 GLU CA C 13 55.128 0.06 . . . . . . A 252 GLU CA . 30637 1 836 . 1 . 1 157 157 GLU CB C 13 31.265 0.03 . . . . . . A 252 GLU CB . 30637 1 837 . 1 . 1 157 157 GLU N N 15 124.517 0.11 . . . . . . A 252 GLU N . 30637 1 838 . 1 . 1 158 158 VAL H H 1 8.988 0.01 . . . . . . A 253 VAL H . 30637 1 839 . 1 . 1 158 158 VAL HG11 H 1 0.685 0.00 . . . . . . A 253 VAL HG11 . 30637 1 840 . 1 . 1 158 158 VAL HG12 H 1 0.685 0.00 . . . . . . A 253 VAL HG12 . 30637 1 841 . 1 . 1 158 158 VAL HG13 H 1 0.685 0.00 . . . . . . A 253 VAL HG13 . 30637 1 842 . 1 . 1 158 158 VAL HG21 H 1 0.981 0.00 . . . . . . A 253 VAL HG21 . 30637 1 843 . 1 . 1 158 158 VAL HG22 H 1 0.981 0.00 . . . . . . A 253 VAL HG22 . 30637 1 844 . 1 . 1 158 158 VAL HG23 H 1 0.981 0.00 . . . . . . A 253 VAL HG23 . 30637 1 845 . 1 . 1 158 158 VAL CA C 13 64.796 0.01 . . . . . . A 253 VAL CA . 30637 1 846 . 1 . 1 158 158 VAL CB C 13 32.320 0.00 . . . . . . A 253 VAL CB . 30637 1 847 . 1 . 1 158 158 VAL CG1 C 13 21.166 0.00 . . . . . . A 253 VAL CG1 . 30637 1 848 . 1 . 1 158 158 VAL CG2 C 13 22.226 0.00 . . . . . . A 253 VAL CG2 . 30637 1 849 . 1 . 1 158 158 VAL N N 15 128.139 0.21 . . . . . . A 253 VAL N . 30637 1 850 . 1 . 1 159 159 ARG H H 1 9.375 0.01 . . . . . . A 254 ARG H . 30637 1 851 . 1 . 1 159 159 ARG CA C 13 55.166 0.01 . . . . . . A 254 ARG CA . 30637 1 852 . 1 . 1 159 159 ARG CB C 13 32.474 0.02 . . . . . . A 254 ARG CB . 30637 1 853 . 1 . 1 159 159 ARG N N 15 133.724 0.16 . . . . . . A 254 ARG N . 30637 1 854 . 1 . 1 160 160 ILE H H 1 8.382 0.00 . . . . . . A 255 ILE H . 30637 1 855 . 1 . 1 160 160 ILE HD11 H 1 0.610 0.00 . . . . . . A 255 ILE HD11 . 30637 1 856 . 1 . 1 160 160 ILE HD12 H 1 0.610 0.00 . . . . . . A 255 ILE HD12 . 30637 1 857 . 1 . 1 160 160 ILE HD13 H 1 0.610 0.00 . . . . . . A 255 ILE HD13 . 30637 1 858 . 1 . 1 160 160 ILE CA C 13 59.250 0.01 . . . . . . A 255 ILE CA . 30637 1 859 . 1 . 1 160 160 ILE CB C 13 36.797 0.02 . . . . . . A 255 ILE CB . 30637 1 860 . 1 . 1 160 160 ILE CD1 C 13 10.924 0.00 . . . . . . A 255 ILE CD1 . 30637 1 861 . 1 . 1 160 160 ILE N N 15 126.118 0.14 . . . . . . A 255 ILE N . 30637 1 862 . 1 . 1 161 161 THR H H 1 8.419 0.00 . . . . . . A 256 THR H . 30637 1 863 . 1 . 1 161 161 THR HG21 H 1 0.941 0.00 . . . . . . A 256 THR HG21 . 30637 1 864 . 1 . 1 161 161 THR HG22 H 1 0.941 0.00 . . . . . . A 256 THR HG22 . 30637 1 865 . 1 . 1 161 161 THR HG23 H 1 0.941 0.00 . . . . . . A 256 THR HG23 . 30637 1 866 . 1 . 1 161 161 THR CA C 13 62.254 0.00 . . . . . . A 256 THR CA . 30637 1 867 . 1 . 1 161 161 THR CB C 13 70.330 0.00 . . . . . . A 256 THR CB . 30637 1 868 . 1 . 1 161 161 THR CG2 C 13 22.132 0.00 . . . . . . A 256 THR CG2 . 30637 1 869 . 1 . 1 161 161 THR N N 15 126.970 0.06 . . . . . . A 256 THR N . 30637 1 stop_ save_