data_18689 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18689 _Entry.Title ; Backbone 1H, 13C, and 15N backbone resonance assignments of the TPR2A domain of mouse STI1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-08-30 _Entry.Accession_date 2012-08-30 _Entry.Last_release_date 2014-02-19 _Entry.Original_release_date 2014-02-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Andrzej Maciejewski . . . 18689 2 Wing-Yiu Choy . . . 18689 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18689 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 252 18689 '15N chemical shifts' 132 18689 '1H chemical shifts' 132 18689 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-02-19 2012-08-30 original author . 18689 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17691 'tpr1 domain' 18689 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18689 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23070844 _Citation.Full_citation . _Citation.Title '(1)H, (15)N and (13)C backbone resonance assignments of the TPR1 and TPR2A domains of mouse STI1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 305 _Citation.Page_last 310 _Citation.Year 2013 _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.Entry_ID _Citation_author.Citation_ID 1 Andrzej Maciejewski . . . 18689 1 2 Marco Prado . A. . 18689 1 3 Wing-Yiu Choy . . . 18689 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18689 _Assembly.ID 1 _Assembly.Name tpr2a _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 tpr2a 1 $tpr2a A . yes native no no . . . 18689 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_tpr2a _Entity.Sf_category entity _Entity.Sf_framecode tpr2a _Entity.Entry_ID 18689 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name tpr2a _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can ; GDLPENKKQALKEKELGNDA YKKKDFDKALKHYDRAKELD PTNMTYITNQAAVHFEKGDY NKCRELCEKAIEVGRENRED YRQIAKAYARIGNSYFKEEK YKDAIHFYNKSLAEHRTPDV LKKCQQAEKILKEQERL ; _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 216 is a non-native glycine result of cleavage of the affinity tag by TEV protease' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'TPR2A domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1ELR . "Crystal Structure Of The Tpr2a Domain Of Hop In Complex With The Hsp90 Peptide Meevd" . . . . . 94.89 131 97.69 99.23 4.72e-85 . . . . 18689 1 2 no PDB 3ESK . "Structure Of Hop Tpr2a Domain In Complex With The Non-cognate Hsc70 Peptide Ligand" . . . . . 93.43 129 97.66 99.22 1.47e-83 . . . . 18689 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID co-chaperone 18689 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 1 216 GLY . 18689 1 2 217 ASP . 18689 1 3 218 LEU . 18689 1 4 219 PRO . 18689 1 5 220 GLU . 18689 1 6 221 ASN . 18689 1 7 222 LYS . 18689 1 8 223 LYS . 18689 1 9 224 GLN . 18689 1 10 225 ALA . 18689 1 11 226 LEU . 18689 1 12 227 LYS . 18689 1 13 228 GLU . 18689 1 14 229 LYS . 18689 1 15 230 GLU . 18689 1 16 231 LEU . 18689 1 17 232 GLY . 18689 1 18 233 ASN . 18689 1 19 234 ASP . 18689 1 20 235 ALA . 18689 1 21 236 TYR . 18689 1 22 237 LYS . 18689 1 23 238 LYS . 18689 1 24 239 LYS . 18689 1 25 240 ASP . 18689 1 26 241 PHE . 18689 1 27 242 ASP . 18689 1 28 243 LYS . 18689 1 29 244 ALA . 18689 1 30 245 LEU . 18689 1 31 246 LYS . 18689 1 32 247 HIS . 18689 1 33 248 TYR . 18689 1 34 249 ASP . 18689 1 35 250 ARG . 18689 1 36 251 ALA . 18689 1 37 252 LYS . 18689 1 38 253 GLU . 18689 1 39 254 LEU . 18689 1 40 255 ASP . 18689 1 41 256 PRO . 18689 1 42 257 THR . 18689 1 43 258 ASN . 18689 1 44 259 MET . 18689 1 45 260 THR . 18689 1 46 261 TYR . 18689 1 47 262 ILE . 18689 1 48 263 THR . 18689 1 49 264 ASN . 18689 1 50 265 GLN . 18689 1 51 266 ALA . 18689 1 52 267 ALA . 18689 1 53 268 VAL . 18689 1 54 269 HIS . 18689 1 55 270 PHE . 18689 1 56 271 GLU . 18689 1 57 272 LYS . 18689 1 58 273 GLY . 18689 1 59 274 ASP . 18689 1 60 275 TYR . 18689 1 61 276 ASN . 18689 1 62 277 LYS . 18689 1 63 278 CYS . 18689 1 64 279 ARG . 18689 1 65 280 GLU . 18689 1 66 281 LEU . 18689 1 67 282 CYS . 18689 1 68 283 GLU . 18689 1 69 284 LYS . 18689 1 70 285 ALA . 18689 1 71 286 ILE . 18689 1 72 287 GLU . 18689 1 73 288 VAL . 18689 1 74 289 GLY . 18689 1 75 290 ARG . 18689 1 76 291 GLU . 18689 1 77 292 ASN . 18689 1 78 293 ARG . 18689 1 79 294 GLU . 18689 1 80 295 ASP . 18689 1 81 296 TYR . 18689 1 82 297 ARG . 18689 1 83 298 GLN . 18689 1 84 299 ILE . 18689 1 85 300 ALA . 18689 1 86 301 LYS . 18689 1 87 302 ALA . 18689 1 88 303 TYR . 18689 1 89 304 ALA . 18689 1 90 305 ARG . 18689 1 91 306 ILE . 18689 1 92 307 GLY . 18689 1 93 308 ASN . 18689 1 94 309 SER . 18689 1 95 310 TYR . 18689 1 96 311 PHE . 18689 1 97 312 LYS . 18689 1 98 313 GLU . 18689 1 99 314 GLU . 18689 1 100 315 LYS . 18689 1 101 316 TYR . 18689 1 102 317 LYS . 18689 1 103 318 ASP . 18689 1 104 319 ALA . 18689 1 105 320 ILE . 18689 1 106 321 HIS . 18689 1 107 322 PHE . 18689 1 108 323 TYR . 18689 1 109 324 ASN . 18689 1 110 325 LYS . 18689 1 111 326 SER . 18689 1 112 327 LEU . 18689 1 113 328 ALA . 18689 1 114 329 GLU . 18689 1 115 330 HIS . 18689 1 116 331 ARG . 18689 1 117 332 THR . 18689 1 118 333 PRO . 18689 1 119 334 ASP . 18689 1 120 335 VAL . 18689 1 121 336 LEU . 18689 1 122 337 LYS . 18689 1 123 338 LYS . 18689 1 124 339 CYS . 18689 1 125 340 GLN . 18689 1 126 341 GLN . 18689 1 127 342 ALA . 18689 1 128 343 GLU . 18689 1 129 344 LYS . 18689 1 130 345 ILE . 18689 1 131 346 LEU . 18689 1 132 347 LYS . 18689 1 133 348 GLU . 18689 1 134 349 GLN . 18689 1 135 350 GLU . 18689 1 136 351 ARG . 18689 1 137 352 LEU . 18689 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18689 1 . ASP 2 2 18689 1 . LEU 3 3 18689 1 . PRO 4 4 18689 1 . GLU 5 5 18689 1 . ASN 6 6 18689 1 . LYS 7 7 18689 1 . LYS 8 8 18689 1 . GLN 9 9 18689 1 . ALA 10 10 18689 1 . LEU 11 11 18689 1 . LYS 12 12 18689 1 . GLU 13 13 18689 1 . LYS 14 14 18689 1 . GLU 15 15 18689 1 . LEU 16 16 18689 1 . GLY 17 17 18689 1 . ASN 18 18 18689 1 . ASP 19 19 18689 1 . ALA 20 20 18689 1 . TYR 21 21 18689 1 . LYS 22 22 18689 1 . LYS 23 23 18689 1 . LYS 24 24 18689 1 . ASP 25 25 18689 1 . PHE 26 26 18689 1 . ASP 27 27 18689 1 . LYS 28 28 18689 1 . ALA 29 29 18689 1 . LEU 30 30 18689 1 . LYS 31 31 18689 1 . HIS 32 32 18689 1 . TYR 33 33 18689 1 . ASP 34 34 18689 1 . ARG 35 35 18689 1 . ALA 36 36 18689 1 . LYS 37 37 18689 1 . GLU 38 38 18689 1 . LEU 39 39 18689 1 . ASP 40 40 18689 1 . PRO 41 41 18689 1 . THR 42 42 18689 1 . ASN 43 43 18689 1 . MET 44 44 18689 1 . THR 45 45 18689 1 . TYR 46 46 18689 1 . ILE 47 47 18689 1 . THR 48 48 18689 1 . ASN 49 49 18689 1 . GLN 50 50 18689 1 . ALA 51 51 18689 1 . ALA 52 52 18689 1 . VAL 53 53 18689 1 . HIS 54 54 18689 1 . PHE 55 55 18689 1 . GLU 56 56 18689 1 . LYS 57 57 18689 1 . GLY 58 58 18689 1 . ASP 59 59 18689 1 . TYR 60 60 18689 1 . ASN 61 61 18689 1 . LYS 62 62 18689 1 . CYS 63 63 18689 1 . ARG 64 64 18689 1 . GLU 65 65 18689 1 . LEU 66 66 18689 1 . CYS 67 67 18689 1 . GLU 68 68 18689 1 . LYS 69 69 18689 1 . ALA 70 70 18689 1 . ILE 71 71 18689 1 . GLU 72 72 18689 1 . VAL 73 73 18689 1 . GLY 74 74 18689 1 . ARG 75 75 18689 1 . GLU 76 76 18689 1 . ASN 77 77 18689 1 . ARG 78 78 18689 1 . GLU 79 79 18689 1 . ASP 80 80 18689 1 . TYR 81 81 18689 1 . ARG 82 82 18689 1 . GLN 83 83 18689 1 . ILE 84 84 18689 1 . ALA 85 85 18689 1 . LYS 86 86 18689 1 . ALA 87 87 18689 1 . TYR 88 88 18689 1 . ALA 89 89 18689 1 . ARG 90 90 18689 1 . ILE 91 91 18689 1 . GLY 92 92 18689 1 . ASN 93 93 18689 1 . SER 94 94 18689 1 . TYR 95 95 18689 1 . PHE 96 96 18689 1 . LYS 97 97 18689 1 . GLU 98 98 18689 1 . GLU 99 99 18689 1 . LYS 100 100 18689 1 . TYR 101 101 18689 1 . LYS 102 102 18689 1 . ASP 103 103 18689 1 . ALA 104 104 18689 1 . ILE 105 105 18689 1 . HIS 106 106 18689 1 . PHE 107 107 18689 1 . TYR 108 108 18689 1 . ASN 109 109 18689 1 . LYS 110 110 18689 1 . SER 111 111 18689 1 . LEU 112 112 18689 1 . ALA 113 113 18689 1 . GLU 114 114 18689 1 . HIS 115 115 18689 1 . ARG 116 116 18689 1 . THR 117 117 18689 1 . PRO 118 118 18689 1 . ASP 119 119 18689 1 . VAL 120 120 18689 1 . LEU 121 121 18689 1 . LYS 122 122 18689 1 . LYS 123 123 18689 1 . CYS 124 124 18689 1 . GLN 125 125 18689 1 . GLN 126 126 18689 1 . ALA 127 127 18689 1 . GLU 128 128 18689 1 . LYS 129 129 18689 1 . ILE 130 130 18689 1 . LEU 131 131 18689 1 . LYS 132 132 18689 1 . GLU 133 133 18689 1 . GLN 134 134 18689 1 . GLU 135 135 18689 1 . ARG 136 136 18689 1 . LEU 137 137 18689 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 18689 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $tpr2a . 10090 organism . 'Mus musculus' 'House mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 18689 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 18689 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $tpr2a . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pDEST17 . . . . . . 18689 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18689 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18689 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18689 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18689 1 4 DSS 'natural abundance' . . . . . . 100 . . uM . . . . 18689 1 5 tpr2a '[U-13C; U-15N]' . . . $tpr2a . . 0.5 . . uM . . . . 18689 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18689 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18689 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18689 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 18689 1 pH 7 . pH 18689 1 pressure 1 . atm 18689 1 temperature 273 . K 18689 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18689 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18689 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18689 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18689 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18689 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 18689 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 18689 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18689 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18689 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18689 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18689 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18689 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18689 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18689 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18689 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18689 1 2 '3D HNCACB' . . . 18689 1 3 '3D CBCA(CO)NH' . . . 18689 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 LEU H H 1 8.459 0.02 . 1 . . . . 218 LEU H . 18689 1 2 . 1 1 3 3 LEU N N 15 123.705 0.3 . 1 . . . . 218 LEU N . 18689 1 3 . 1 1 4 4 PRO CA C 13 62.949 0.3 . 1 . . . . 219 PRO CA . 18689 1 4 . 1 1 4 4 PRO CB C 13 32.172 0.3 . 1 . . . . 219 PRO CB . 18689 1 5 . 1 1 5 5 GLU H H 1 8.814 0.02 . 1 . . . . 220 GLU H . 18689 1 6 . 1 1 5 5 GLU CA C 13 59.21 0.3 . 1 . . . . 220 GLU CA . 18689 1 7 . 1 1 5 5 GLU CB C 13 29.517 0.3 . 1 . . . . 220 GLU CB . 18689 1 8 . 1 1 5 5 GLU N N 15 121.955 0.3 . 1 . . . . 220 GLU N . 18689 1 9 . 1 1 6 6 ASN H H 1 8.821 0.02 . 1 . . . . 221 ASN H . 18689 1 10 . 1 1 6 6 ASN CA C 13 56.663 0.3 . 1 . . . . 221 ASN CA . 18689 1 11 . 1 1 6 6 ASN CB C 13 36.723 0.3 . 1 . . . . 221 ASN CB . 18689 1 12 . 1 1 6 6 ASN N N 15 117.143 0.3 . 1 . . . . 221 ASN N . 18689 1 13 . 1 1 7 7 LYS H H 1 7.434 0.02 . 1 . . . . 222 LYS H . 18689 1 14 . 1 1 7 7 LYS CA C 13 59.978 0.3 . 1 . . . . 222 LYS CA . 18689 1 15 . 1 1 7 7 LYS CB C 13 32.714 0.3 . 1 . . . . 222 LYS CB . 18689 1 16 . 1 1 7 7 LYS N N 15 119.002 0.3 . 1 . . . . 222 LYS N . 18689 1 17 . 1 1 8 8 LYS H H 1 7.94 0.02 . 1 . . . . 223 LYS H . 18689 1 18 . 1 1 8 8 LYS CA C 13 59.969 0.3 . 1 . . . . 223 LYS CA . 18689 1 19 . 1 1 8 8 LYS CB C 13 32.497 0.3 . 1 . . . . 223 LYS CB . 18689 1 20 . 1 1 8 8 LYS N N 15 120.096 0.3 . 1 . . . . 223 LYS N . 18689 1 21 . 1 1 9 9 GLN H H 1 8.439 0.02 . 1 . . . . 224 GLN H . 18689 1 22 . 1 1 9 9 GLN CA C 13 58.289 0.3 . 1 . . . . 224 GLN CA . 18689 1 23 . 1 1 9 9 GLN CB C 13 28.325 0.3 . 1 . . . . 224 GLN CB . 18689 1 24 . 1 1 9 9 GLN N N 15 119.112 0.3 . 1 . . . . 224 GLN N . 18689 1 25 . 1 1 10 10 ALA H H 1 8.322 0.02 . 1 . . . . 225 ALA H . 18689 1 26 . 1 1 10 10 ALA CA C 13 55.796 0.3 . 1 . . . . 225 ALA CA . 18689 1 27 . 1 1 10 10 ALA CB C 13 18.897 0.3 . 1 . . . . 225 ALA CB . 18689 1 28 . 1 1 10 10 ALA N N 15 123.487 0.3 . 1 . . . . 225 ALA N . 18689 1 29 . 1 1 11 11 LEU H H 1 7.735 0.02 . 1 . . . . 226 LEU H . 18689 1 30 . 1 1 11 11 LEU CA C 13 58.018 0.3 . 1 . . . . 226 LEU CA . 18689 1 31 . 1 1 11 11 LEU CB C 13 42.088 0.3 . 1 . . . . 226 LEU CB . 18689 1 32 . 1 1 11 11 LEU N N 15 117.362 0.3 . 1 . . . . 226 LEU N . 18689 1 33 . 1 1 12 12 LYS H H 1 7.352 0.02 . 1 . . . . 227 LYS H . 18689 1 34 . 1 1 12 12 LYS CA C 13 58.993 0.3 . 1 . . . . 227 LYS CA . 18689 1 35 . 1 1 12 12 LYS CB C 13 31.738 0.3 . 1 . . . . 227 LYS CB . 18689 1 36 . 1 1 12 12 LYS N N 15 119.768 0.3 . 1 . . . . 227 LYS N . 18689 1 37 . 1 1 13 13 GLU H H 1 7.946 0.02 . 1 . . . . 228 GLU H . 18689 1 38 . 1 1 13 13 GLU CA C 13 59.21 0.3 . 1 . . . . 228 GLU CA . 18689 1 39 . 1 1 13 13 GLU N N 15 119.233 0.3 . 1 . . . . 228 GLU N . 18689 1 40 . 1 1 14 14 LYS H H 1 8.657 0.02 . 1 . . . . 229 LYS H . 18689 1 41 . 1 1 14 14 LYS CA C 13 60.294 0.3 . 1 . . . . 229 LYS CA . 18689 1 42 . 1 1 14 14 LYS CB C 13 30.98 0.3 . 1 . . . . 229 LYS CB . 18689 1 43 . 1 1 14 14 LYS N N 15 120.643 0.3 . 1 . . . . 229 LYS N . 18689 1 44 . 1 1 15 15 GLU H H 1 7.919 0.02 . 1 . . . . 230 GLU H . 18689 1 45 . 1 1 15 15 GLU CA C 13 59.535 0.3 . 1 . . . . 230 GLU CA . 18689 1 46 . 1 1 15 15 GLU CB C 13 29.137 0.3 . 1 . . . . 230 GLU CB . 18689 1 47 . 1 1 15 15 GLU N N 15 119.187 0.3 . 1 . . . . 230 GLU N . 18689 1 48 . 1 1 16 16 LEU H H 1 8.014 0.02 . 1 . . . . 231 LEU H . 18689 1 49 . 1 1 16 16 LEU N N 15 117.363 0.3 . 1 . . . . 231 LEU N . 18689 1 50 . 1 1 17 17 GLY H H 1 8.712 0.02 . 1 . . . . 232 GLY H . 18689 1 51 . 1 1 17 17 GLY CA C 13 47.994 0.3 . 1 . . . . 232 GLY CA . 18689 1 52 . 1 1 17 17 GLY N N 15 109.487 0.3 . 1 . . . . 232 GLY N . 18689 1 53 . 1 1 18 18 ASN H H 1 9.04 0.02 . 1 . . . . 233 ASN H . 18689 1 54 . 1 1 18 18 ASN CA C 13 55.417 0.3 . 1 . . . . 233 ASN CA . 18689 1 55 . 1 1 18 18 ASN CB C 13 37.428 0.3 . 1 . . . . 233 ASN CB . 18689 1 56 . 1 1 18 18 ASN N N 15 121.846 0.3 . 1 . . . . 233 ASN N . 18689 1 57 . 1 1 19 19 ASP H H 1 8.152 0.02 . 1 . . . . 234 ASP H . 18689 1 58 . 1 1 19 19 ASP CA C 13 57.693 0.3 . 1 . . . . 234 ASP CA . 18689 1 59 . 1 1 19 19 ASP CB C 13 41.221 0.3 . 1 . . . . 234 ASP CB . 18689 1 60 . 1 1 19 19 ASP N N 15 121.737 0.3 . 1 . . . . 234 ASP N . 18689 1 61 . 1 1 20 20 ALA H H 1 7.53 0.02 . 1 . . . . 235 ALA H . 18689 1 62 . 1 1 20 20 ALA CA C 13 55.038 0.3 . 1 . . . . 235 ALA CA . 18689 1 63 . 1 1 20 20 ALA CB C 13 17.217 0.3 . 1 . . . . 235 ALA CB . 18689 1 64 . 1 1 20 20 ALA N N 15 120.971 0.3 . 1 . . . . 235 ALA N . 18689 1 65 . 1 1 21 21 TYR H H 1 9.135 0.02 . 1 . . . . 236 TYR H . 18689 1 66 . 1 1 21 21 TYR CA C 13 61.486 0.3 . 1 . . . . 236 TYR CA . 18689 1 67 . 1 1 21 21 TYR CB C 13 39.27 0.3 . 1 . . . . 236 TYR CB . 18689 1 68 . 1 1 21 21 TYR N N 15 121.08 0.3 . 1 . . . . 236 TYR N . 18689 1 69 . 1 1 22 22 LYS H H 1 8.357 0.02 . 1 . . . . 237 LYS H . 18689 1 70 . 1 1 22 22 LYS CA C 13 59.318 0.3 . 1 . . . . 237 LYS CA . 18689 1 71 . 1 1 22 22 LYS CB C 13 32.28 0.3 . 1 . . . . 237 LYS CB . 18689 1 72 . 1 1 22 22 LYS N N 15 121.19 0.3 . 1 . . . . 237 LYS N . 18689 1 73 . 1 1 23 23 LYS H H 1 7.209 0.02 . 1 . . . . 238 LYS H . 18689 1 74 . 1 1 23 23 LYS CA C 13 56.176 0.3 . 1 . . . . 238 LYS CA . 18689 1 75 . 1 1 23 23 LYS CB C 13 32.497 0.3 . 1 . . . . 238 LYS CB . 18689 1 76 . 1 1 23 23 LYS N N 15 117.252 0.3 . 1 . . . . 238 LYS N . 18689 1 77 . 1 1 24 24 LYS H H 1 7.687 0.02 . 1 . . . . 239 LYS H . 18689 1 78 . 1 1 24 24 LYS CA C 13 56.609 0.3 . 1 . . . . 239 LYS CA . 18689 1 79 . 1 1 24 24 LYS CB C 13 28.216 0.3 . 1 . . . . 239 LYS CB . 18689 1 80 . 1 1 24 24 LYS N N 15 113.533 0.3 . 1 . . . . 239 LYS N . 18689 1 81 . 1 1 25 25 ASP H H 1 8.056 0.02 . 1 . . . . 240 ASP H . 18689 1 82 . 1 1 25 25 ASP CB C 13 38.837 0.3 . 1 . . . . 240 ASP CB . 18689 1 83 . 1 1 25 25 ASP N N 15 119.987 0.3 . 1 . . . . 240 ASP N . 18689 1 84 . 1 1 26 26 PHE H H 1 7.277 0.02 . 1 . . . . 241 PHE H . 18689 1 85 . 1 1 26 26 PHE CA C 13 60.077 0.3 . 1 . . . . 241 PHE CA . 18689 1 86 . 1 1 26 26 PHE CB C 13 38.024 0.3 . 1 . . . . 241 PHE CB . 18689 1 87 . 1 1 26 26 PHE N N 15 119.987 0.3 . 1 . . . . 241 PHE N . 18689 1 88 . 1 1 27 27 ASP H H 1 8.691 0.02 . 1 . . . . 242 ASP H . 18689 1 89 . 1 1 27 27 ASP CA C 13 57.639 0.3 . 1 . . . . 242 ASP CA . 18689 1 90 . 1 1 27 27 ASP CB C 13 39.974 0.3 . 1 . . . . 242 ASP CB . 18689 1 91 . 1 1 27 27 ASP N N 15 119.112 0.3 . 1 . . . . 242 ASP N . 18689 1 92 . 1 1 28 28 LYS H H 1 7.318 0.02 . 1 . . . . 243 LYS H . 18689 1 93 . 1 1 28 28 LYS CA C 13 59.102 0.3 . 1 . . . . 243 LYS CA . 18689 1 94 . 1 1 28 28 LYS CB C 13 33.31 0.3 . 1 . . . . 243 LYS CB . 18689 1 95 . 1 1 28 28 LYS N N 15 121.518 0.3 . 1 . . . . 243 LYS N . 18689 1 96 . 1 1 29 29 ALA H H 1 8.152 0.02 . 1 . . . . 244 ALA H . 18689 1 97 . 1 1 29 29 ALA CA C 13 55.796 0.3 . 1 . . . . 244 ALA CA . 18689 1 98 . 1 1 29 29 ALA CB C 13 18.03 0.3 . 1 . . . . 244 ALA CB . 18689 1 99 . 1 1 29 29 ALA N N 15 120.205 0.3 . 1 . . . . 244 ALA N . 18689 1 100 . 1 1 30 30 LEU H H 1 8.145 0.02 . 1 . . . . 245 LEU H . 18689 1 101 . 1 1 30 30 LEU CA C 13 58.397 0.3 . 1 . . . . 245 LEU CA . 18689 1 102 . 1 1 30 30 LEU CB C 13 41.925 0.3 . 1 . . . . 245 LEU CB . 18689 1 103 . 1 1 30 30 LEU N N 15 114.737 0.3 . 1 . . . . 245 LEU N . 18689 1 104 . 1 1 31 31 LYS H H 1 7.304 0.02 . 1 . . . . 246 LYS H . 18689 1 105 . 1 1 31 31 LYS CA C 13 59.373 0.3 . 1 . . . . 246 LYS CA . 18689 1 106 . 1 1 31 31 LYS CB C 13 31.847 0.3 . 1 . . . . 246 LYS CB . 18689 1 107 . 1 1 31 31 LYS N N 15 118.127 0.3 . 1 . . . . 246 LYS N . 18689 1 108 . 1 1 32 32 HIS H H 1 7.537 0.02 . 1 . . . . 247 HIS H . 18689 1 109 . 1 1 32 32 HIS CA C 13 59.643 0.3 . 1 . . . . 247 HIS CA . 18689 1 110 . 1 1 32 32 HIS CB C 13 28 0.3 . 1 . . . . 247 HIS CB . 18689 1 111 . 1 1 32 32 HIS N N 15 118.237 0.3 . 1 . . . . 247 HIS N . 18689 1 112 . 1 1 33 33 TYR H H 1 8.719 0.02 . 1 . . . . 248 TYR H . 18689 1 113 . 1 1 33 33 TYR CA C 13 58.614 0.3 . 1 . . . . 248 TYR CA . 18689 1 114 . 1 1 33 33 TYR CB C 13 37.536 0.3 . 1 . . . . 248 TYR CB . 18689 1 115 . 1 1 33 33 TYR N N 15 118.455 0.3 . 1 . . . . 248 TYR N . 18689 1 116 . 1 1 34 34 ASP H H 1 8.944 0.02 . 1 . . . . 249 ASP H . 18689 1 117 . 1 1 34 34 ASP CA C 13 57.476 0.3 . 1 . . . . 249 ASP CA . 18689 1 118 . 1 1 34 34 ASP CB C 13 40.787 0.3 . 1 . . . . 249 ASP CB . 18689 1 119 . 1 1 34 34 ASP N N 15 119.877 0.3 . 1 . . . . 249 ASP N . 18689 1 120 . 1 1 35 35 ARG H H 1 7.564 0.02 . 1 . . . . 250 ARG H . 18689 1 121 . 1 1 35 35 ARG CA C 13 58.126 0.3 . 1 . . . . 250 ARG CA . 18689 1 122 . 1 1 35 35 ARG CB C 13 29.246 0.3 . 1 . . . . 250 ARG CB . 18689 1 123 . 1 1 35 35 ARG N N 15 120.205 0.3 . 1 . . . . 250 ARG N . 18689 1 124 . 1 1 36 36 ALA H H 1 8.295 0.02 . 1 . . . . 251 ALA H . 18689 1 125 . 1 1 36 36 ALA CA C 13 55.905 0.3 . 1 . . . . 251 ALA CA . 18689 1 126 . 1 1 36 36 ALA CB C 13 16.35 0.3 . 1 . . . . 251 ALA CB . 18689 1 127 . 1 1 36 36 ALA N N 15 121.846 0.3 . 1 . . . . 251 ALA N . 18689 1 128 . 1 1 37 37 LYS H H 1 7.845 0.02 . 1 . . . . 252 LYS H . 18689 1 129 . 1 1 37 37 LYS CA C 13 58.56 0.3 . 1 . . . . 252 LYS CA . 18689 1 130 . 1 1 37 37 LYS CB C 13 32.063 0.3 . 1 . . . . 252 LYS CB . 18689 1 131 . 1 1 37 37 LYS N N 15 116.378 0.3 . 1 . . . . 252 LYS N . 18689 1 132 . 1 1 38 38 GLU H H 1 7.673 0.02 . 1 . . . . 253 GLU H . 18689 1 133 . 1 1 38 38 GLU CA C 13 58.56 0.3 . 1 . . . . 253 GLU CA . 18689 1 134 . 1 1 38 38 GLU CB C 13 29.896 0.3 . 1 . . . . 253 GLU CB . 18689 1 135 . 1 1 38 38 GLU N N 15 116.924 0.3 . 1 . . . . 253 GLU N . 18689 1 136 . 1 1 39 39 LEU H H 1 7.881 0.02 . 1 . . . . 254 LEU H . 18689 1 137 . 1 1 39 39 LEU CB C 13 43.659 0.3 . 1 . . . . 254 LEU CB . 18689 1 138 . 1 1 39 39 LEU N N 15 119.004 0.3 . 1 . . . . 254 LEU N . 18689 1 139 . 1 1 40 40 ASP H H 1 8.179 0.02 . 1 . . . . 255 ASP H . 18689 1 140 . 1 1 40 40 ASP CA C 13 51.191 0.3 . 1 . . . . 255 ASP CA . 18689 1 141 . 1 1 40 40 ASP CB C 13 41.492 0.3 . 1 . . . . 255 ASP CB . 18689 1 142 . 1 1 40 40 ASP N N 15 115.83 0.3 . 1 . . . . 255 ASP N . 18689 1 143 . 1 1 41 41 PRO CA C 13 64.141 0.3 . 1 . . . . 256 PRO CA . 18689 1 144 . 1 1 41 41 PRO CB C 13 32.714 0.3 . 1 . . . . 256 PRO CB . 18689 1 145 . 1 1 42 42 THR H H 1 7.796 0.02 . 1 . . . . 257 THR H . 18689 1 146 . 1 1 42 42 THR CA C 13 61.486 0.3 . 1 . . . . 257 THR CA . 18689 1 147 . 1 1 42 42 THR CB C 13 69.017 0.3 . 1 . . . . 257 THR CB . 18689 1 148 . 1 1 42 42 THR N N 15 108.283 0.3 . 1 . . . . 257 THR N . 18689 1 149 . 1 1 43 43 ASN H H 1 6.908 0.02 . 1 . . . . 258 ASN H . 18689 1 150 . 1 1 43 43 ASN CA C 13 51.516 0.3 . 1 . . . . 258 ASN CA . 18689 1 151 . 1 1 43 43 ASN CB C 13 39.487 0.3 . 1 . . . . 258 ASN CB . 18689 1 152 . 1 1 43 43 ASN N N 15 118.893 0.3 . 1 . . . . 258 ASN N . 18689 1 153 . 1 1 44 44 MET H H 1 9.887 0.02 . 1 . . . . 259 MET H . 18689 1 154 . 1 1 44 44 MET CA C 13 58.777 0.3 . 1 . . . . 259 MET CA . 18689 1 155 . 1 1 44 44 MET CB C 13 32.93 0.3 . 1 . . . . 259 MET CB . 18689 1 156 . 1 1 44 44 MET N N 15 126.112 0.3 . 1 . . . . 259 MET N . 18689 1 157 . 1 1 45 45 THR H H 1 8.076 0.02 . 1 . . . . 260 THR H . 18689 1 158 . 1 1 45 45 THR CA C 13 64.683 0.3 . 1 . . . . 260 THR CA . 18689 1 159 . 1 1 45 45 THR CB C 13 68.096 0.3 . 1 . . . . 260 THR CB . 18689 1 160 . 1 1 45 45 THR N N 15 115.174 0.3 . 1 . . . . 260 THR N . 18689 1 161 . 1 1 46 46 TYR H H 1 6.505 0.02 . 1 . . . . 261 TYR H . 18689 1 162 . 1 1 46 46 TYR CA C 13 58.18 0.3 . 1 . . . . 261 TYR CA . 18689 1 163 . 1 1 46 46 TYR CB C 13 35.748 0.3 . 1 . . . . 261 TYR CB . 18689 1 164 . 1 1 46 46 TYR N N 15 119.987 0.3 . 1 . . . . 261 TYR N . 18689 1 165 . 1 1 47 47 ILE H H 1 7.206 0.02 . 1 . . . . 262 ILE H . 18689 1 166 . 1 1 47 47 ILE CA C 13 63.924 0.3 . 1 . . . . 262 ILE CA . 18689 1 167 . 1 1 47 47 ILE CB C 13 38.511 0.3 . 1 . . . . 262 ILE CB . 18689 1 168 . 1 1 47 47 ILE N N 15 117.476 0.3 . 1 . . . . 262 ILE N . 18689 1 169 . 1 1 48 48 THR H H 1 8.213 0.02 . 1 . . . . 263 THR H . 18689 1 170 . 1 1 48 48 THR CA C 13 65.929 0.3 . 1 . . . . 263 THR CA . 18689 1 171 . 1 1 48 48 THR CB C 13 67.338 0.3 . 1 . . . . 263 THR CB . 18689 1 172 . 1 1 48 48 THR N N 15 113.643 0.3 . 1 . . . . 263 THR N . 18689 1 173 . 1 1 49 49 ASN H H 1 8.24 0.02 . 1 . . . . 264 ASN H . 18689 1 174 . 1 1 49 49 ASN CA C 13 56.135 0.3 . 1 . . . . 264 ASN CA . 18689 1 175 . 1 1 49 49 ASN CB C 13 35.694 0.3 . 1 . . . . 264 ASN CB . 18689 1 176 . 1 1 49 49 ASN N N 15 121.737 0.3 . 1 . . . . 264 ASN N . 18689 1 177 . 1 1 50 50 GLN H H 1 7.168 0.02 . 1 . . . . 265 GLN H . 18689 1 178 . 1 1 50 50 GLN CA C 13 59.86 0.3 . 1 . . . . 265 GLN CA . 18689 1 179 . 1 1 50 50 GLN CB C 13 29.625 0.3 . 1 . . . . 265 GLN CB . 18689 1 180 . 1 1 50 50 GLN N N 15 117.58 0.3 . 1 . . . . 265 GLN N . 18689 1 181 . 1 1 51 51 ALA H H 1 8.319 0.02 . 1 . . . . 266 ALA H . 18689 1 182 . 1 1 51 51 ALA CA C 13 55.959 0.3 . 1 . . . . 266 ALA CA . 18689 1 183 . 1 1 51 51 ALA CB C 13 19.655 0.3 . 1 . . . . 266 ALA CB . 18689 1 184 . 1 1 51 51 ALA N N 15 121.192 0.3 . 1 . . . . 266 ALA N . 18689 1 185 . 1 1 52 52 ALA H H 1 8.07 0.02 . 1 . . . . 267 ALA H . 18689 1 186 . 1 1 52 52 ALA CA C 13 55.688 0.3 . 1 . . . . 267 ALA CA . 18689 1 187 . 1 1 52 52 ALA CB C 13 17.924 0.3 . 1 . . . . 267 ALA CB . 18689 1 188 . 1 1 52 52 ALA N N 15 120.315 0.3 . 1 . . . . 267 ALA N . 18689 1 189 . 1 1 53 53 VAL H H 1 7.386 0.02 . 1 . . . . 268 VAL H . 18689 1 190 . 1 1 53 53 VAL CA C 13 67.067 0.3 . 1 . . . . 268 VAL CA . 18689 1 191 . 1 1 53 53 VAL CB C 13 30.871 0.3 . 1 . . . . 268 VAL CB . 18689 1 192 . 1 1 53 53 VAL N N 15 117.799 0.3 . 1 . . . . 268 VAL N . 18689 1 193 . 1 1 54 54 HIS H H 1 7.503 0.02 . 1 . . . . 269 HIS H . 18689 1 194 . 1 1 54 54 HIS CA C 13 60.944 0.3 . 1 . . . . 269 HIS CA . 18689 1 195 . 1 1 54 54 HIS CB C 13 30.004 0.3 . 1 . . . . 269 HIS CB . 18689 1 196 . 1 1 54 54 HIS N N 15 116.815 0.3 . 1 . . . . 269 HIS N . 18689 1 197 . 1 1 55 55 PHE H H 1 8.575 0.02 . 1 . . . . 270 PHE H . 18689 1 198 . 1 1 55 55 PHE CA C 13 61.865 0.3 . 1 . . . . 270 PHE CA . 18689 1 199 . 1 1 55 55 PHE CB C 13 38.728 0.3 . 1 . . . . 270 PHE CB . 18689 1 200 . 1 1 55 55 PHE N N 15 119.59 0.3 . 1 . . . . 270 PHE N . 18689 1 201 . 1 1 56 56 GLU H H 1 8.128 0.02 . 1 . . . . 271 GLU H . 18689 1 202 . 1 1 56 56 GLU CA C 13 58.993 0.3 . 1 . . . . 271 GLU CA . 18689 1 203 . 1 1 56 56 GLU CB C 13 29.137 0.3 . 1 . . . . 271 GLU CB . 18689 1 204 . 1 1 56 56 GLU N N 15 121.343 0.3 . 1 . . . . 271 GLU N . 18689 1 205 . 1 1 57 57 LYS H H 1 7.639 0.02 . 1 . . . . 272 LYS H . 18689 1 206 . 1 1 57 57 LYS CA C 13 56.988 0.3 . 1 . . . . 272 LYS CA . 18689 1 207 . 1 1 57 57 LYS CB C 13 32.551 0.3 . 1 . . . . 272 LYS CB . 18689 1 208 . 1 1 57 57 LYS N N 15 115.612 0.3 . 1 . . . . 272 LYS N . 18689 1 209 . 1 1 58 58 GLY H H 1 7.489 0.02 . 1 . . . . 273 GLY H . 18689 1 210 . 1 1 58 58 GLY CA C 13 44.309 0.3 . 1 . . . . 273 GLY CA . 18689 1 211 . 1 1 58 58 GLY N N 15 107.299 0.3 . 1 . . . . 273 GLY N . 18689 1 212 . 1 1 59 59 ASP H H 1 7.906 0.02 . 1 . . . . 274 ASP H . 18689 1 213 . 1 1 59 59 ASP CA C 13 51.028 0.3 . 1 . . . . 274 ASP CA . 18689 1 214 . 1 1 59 59 ASP CB C 13 39.162 0.3 . 1 . . . . 274 ASP CB . 18689 1 215 . 1 1 59 59 ASP N N 15 121.08 0.3 . 1 . . . . 274 ASP N . 18689 1 216 . 1 1 60 60 TYR H H 1 7.072 0.02 . 1 . . . . 275 TYR H . 18689 1 217 . 1 1 60 60 TYR CA C 13 61.052 0.3 . 1 . . . . 275 TYR CA . 18689 1 218 . 1 1 60 60 TYR CB C 13 36.886 0.3 . 1 . . . . 275 TYR CB . 18689 1 219 . 1 1 60 60 TYR N N 15 122.065 0.3 . 1 . . . . 275 TYR N . 18689 1 220 . 1 1 61 61 ASN H H 1 8.81 0.02 . 1 . . . . 276 ASN H . 18689 1 221 . 1 1 61 61 ASN CA C 13 56.896 0.3 . 1 . . . . 276 ASN CA . 18689 1 222 . 1 1 61 61 ASN CB C 13 37.929 0.3 . 1 . . . . 276 ASN CB . 18689 1 223 . 1 1 61 61 ASN N N 15 118.584 0.3 . 1 . . . . 276 ASN N . 18689 1 224 . 1 1 62 62 LYS H H 1 7.667 0.02 . 1 . . . . 277 LYS H . 18689 1 225 . 1 1 62 62 LYS CA C 13 57.747 0.3 . 1 . . . . 277 LYS CA . 18689 1 226 . 1 1 62 62 LYS CB C 13 31.684 0.3 . 1 . . . . 277 LYS CB . 18689 1 227 . 1 1 62 62 LYS N N 15 121.518 0.3 . 1 . . . . 277 LYS N . 18689 1 228 . 1 1 63 63 CYS H H 1 7.913 0.02 . 1 . . . . 278 CYS H . 18689 1 229 . 1 1 63 63 CYS CA C 13 62.353 0.3 . 1 . . . . 278 CYS CA . 18689 1 230 . 1 1 63 63 CYS CB C 13 26.211 0.3 . 1 . . . . 278 CYS CB . 18689 1 231 . 1 1 63 63 CYS N N 15 116.049 0.3 . 1 . . . . 278 CYS N . 18689 1 232 . 1 1 64 64 ARG H H 1 8.275 0.02 . 1 . . . . 279 ARG H . 18689 1 233 . 1 1 64 64 ARG CA C 13 62.407 0.3 . 1 . . . . 279 ARG CA . 18689 1 234 . 1 1 64 64 ARG CB C 13 31.142 0.3 . 1 . . . . 279 ARG CB . 18689 1 235 . 1 1 64 64 ARG N N 15 119.112 0.3 . 1 . . . . 279 ARG N . 18689 1 236 . 1 1 65 65 GLU H H 1 8.003 0.02 . 1 . . . . 280 GLU H . 18689 1 237 . 1 1 65 65 GLU CA C 13 59.156 0.3 . 1 . . . . 280 GLU CA . 18689 1 238 . 1 1 65 65 GLU CB C 13 29.842 0.3 . 1 . . . . 280 GLU CB . 18689 1 239 . 1 1 65 65 GLU N N 15 119.533 0.3 . 1 . . . . 280 GLU N . 18689 1 240 . 1 1 66 66 LEU H H 1 8.07 0.02 . 1 . . . . 281 LEU H . 18689 1 241 . 1 1 66 66 LEU CA C 13 57.368 0.3 . 1 . . . . 281 LEU CA . 18689 1 242 . 1 1 66 66 LEU CB C 13 41.871 0.3 . 1 . . . . 281 LEU CB . 18689 1 243 . 1 1 66 66 LEU N N 15 119.33 0.3 . 1 . . . . 281 LEU N . 18689 1 244 . 1 1 67 67 CYS H H 1 8.539 0.02 . 1 . . . . 282 CYS H . 18689 1 245 . 1 1 67 67 CYS CA C 13 65.55 0.3 . 1 . . . . 282 CYS CA . 18689 1 246 . 1 1 67 67 CYS CB C 13 28.596 0.3 . 1 . . . . 282 CYS CB . 18689 1 247 . 1 1 67 67 CYS N N 15 118.222 0.3 . 1 . . . . 282 CYS N . 18689 1 248 . 1 1 68 68 GLU H H 1 8.288 0.02 . 1 . . . . 283 GLU H . 18689 1 249 . 1 1 68 68 GLU CA C 13 60.239 0.3 . 1 . . . . 283 GLU CA . 18689 1 250 . 1 1 68 68 GLU CB C 13 29.083 0.3 . 1 . . . . 283 GLU CB . 18689 1 251 . 1 1 68 68 GLU N N 15 118.346 0.3 . 1 . . . . 283 GLU N . 18689 1 252 . 1 1 69 69 LYS H H 1 7.681 0.02 . 1 . . . . 284 LYS H . 18689 1 253 . 1 1 69 69 LYS CA C 13 58.072 0.3 . 1 . . . . 284 LYS CA . 18689 1 254 . 1 1 69 69 LYS N N 15 120.97 0.3 . 1 . . . . 284 LYS N . 18689 1 255 . 1 1 70 70 ALA H H 1 8.821 0.02 . 1 . . . . 285 ALA H . 18689 1 256 . 1 1 70 70 ALA CA C 13 54.984 0.3 . 1 . . . . 285 ALA CA . 18689 1 257 . 1 1 70 70 ALA CB C 13 18.626 0.3 . 1 . . . . 285 ALA CB . 18689 1 258 . 1 1 70 70 ALA N N 15 121.299 0.3 . 1 . . . . 285 ALA N . 18689 1 259 . 1 1 71 71 ILE H H 1 8.056 0.02 . 1 . . . . 286 ILE H . 18689 1 260 . 1 1 71 71 ILE CA C 13 66.146 0.3 . 1 . . . . 286 ILE CA . 18689 1 261 . 1 1 71 71 ILE CB C 13 38.511 0.3 . 1 . . . . 286 ILE CB . 18689 1 262 . 1 1 71 71 ILE N N 15 118.455 0.3 . 1 . . . . 286 ILE N . 18689 1 263 . 1 1 72 72 GLU H H 1 7.499 0.02 . 1 . . . . 287 GLU H . 18689 1 264 . 1 1 72 72 GLU CA C 13 59.914 0.3 . 1 . . . . 287 GLU CA . 18689 1 265 . 1 1 72 72 GLU CB C 13 29.625 0.3 . 1 . . . . 287 GLU CB . 18689 1 266 . 1 1 72 72 GLU N N 15 119.659 0.3 . 1 . . . . 287 GLU N . 18689 1 267 . 1 1 73 73 VAL H H 1 8.203 0.02 . 1 . . . . 288 VAL H . 18689 1 268 . 1 1 73 73 VAL CA C 13 66.35 0.3 . 1 . . . . 288 VAL CA . 18689 1 269 . 1 1 73 73 VAL CB C 13 32.389 0.3 . 1 . . . . 288 VAL CB . 18689 1 270 . 1 1 73 73 VAL N N 15 120.53 0.3 . 1 . . . . 288 VAL N . 18689 1 271 . 1 1 74 74 GLY H H 1 9.265 0.02 . 1 . . . . 289 GLY H . 18689 1 272 . 1 1 74 74 GLY CA C 13 48.048 0.3 . 1 . . . . 289 GLY CA . 18689 1 273 . 1 1 74 74 GLY N N 15 110.143 0.3 . 1 . . . . 289 GLY N . 18689 1 274 . 1 1 75 75 ARG H H 1 8.944 0.02 . 1 . . . . 290 ARG H . 18689 1 275 . 1 1 75 75 ARG CA C 13 59.271 0.3 . 1 . . . . 290 ARG CA . 18689 1 276 . 1 1 75 75 ARG CB C 13 29.625 0.3 . 1 . . . . 290 ARG CB . 18689 1 277 . 1 1 75 75 ARG N N 15 121.408 0.3 . 1 . . . . 290 ARG N . 18689 1 278 . 1 1 76 76 GLU H H 1 8.001 0.02 . 1 . . . . 291 GLU H . 18689 1 279 . 1 1 76 76 GLU CA C 13 59.102 0.3 . 1 . . . . 291 GLU CA . 18689 1 280 . 1 1 76 76 GLU CB C 13 29.733 0.3 . 1 . . . . 291 GLU CB . 18689 1 281 . 1 1 76 76 GLU N N 15 119.987 0.3 . 1 . . . . 291 GLU N . 18689 1 282 . 1 1 77 77 ASN H H 1 7.728 0.02 . 1 . . . . 292 ASN H . 18689 1 283 . 1 1 77 77 ASN CA C 13 53.683 0.3 . 1 . . . . 292 ASN CA . 18689 1 284 . 1 1 77 77 ASN CB C 13 39.703 0.3 . 1 . . . . 292 ASN CB . 18689 1 285 . 1 1 77 77 ASN N N 15 114.08 0.3 . 1 . . . . 292 ASN N . 18689 1 286 . 1 1 78 78 ARG H H 1 7.844 0.02 . 1 . . . . 293 ARG H . 18689 1 287 . 1 1 78 78 ARG CA C 13 57.097 0.3 . 1 . . . . 293 ARG CA . 18689 1 288 . 1 1 78 78 ARG CB C 13 26.645 0.3 . 1 . . . . 293 ARG CB . 18689 1 289 . 1 1 78 78 ARG N N 15 116.924 0.3 . 1 . . . . 293 ARG N . 18689 1 290 . 1 1 79 79 GLU H H 1 8.534 0.02 . 1 . . . . 294 GLU H . 18689 1 291 . 1 1 79 79 GLU CA C 13 56.013 0.3 . 1 . . . . 294 GLU CA . 18689 1 292 . 1 1 79 79 GLU CB C 13 30.871 0.3 . 1 . . . . 294 GLU CB . 18689 1 293 . 1 1 79 79 GLU N N 15 118.783 0.3 . 1 . . . . 294 GLU N . 18689 1 294 . 1 1 80 80 ASP H H 1 8.719 0.02 . 1 . . . . 295 ASP H . 18689 1 295 . 1 1 80 80 ASP CA C 13 55.146 0.3 . 1 . . . . 295 ASP CA . 18689 1 296 . 1 1 80 80 ASP CB C 13 42.792 0.3 . 1 . . . . 295 ASP CB . 18689 1 297 . 1 1 80 80 ASP N N 15 122.83 0.3 . 1 . . . . 295 ASP N . 18689 1 298 . 1 1 81 81 TYR H H 1 8.065 0.02 . 1 . . . . 296 TYR H . 18689 1 299 . 1 1 81 81 TYR CA C 13 59.914 0.3 . 1 . . . . 296 TYR CA . 18689 1 300 . 1 1 81 81 TYR CB C 13 37.344 0.3 . 1 . . . . 296 TYR CB . 18689 1 301 . 1 1 81 81 TYR N N 15 126.553 0.3 . 1 . . . . 296 TYR N . 18689 1 302 . 1 1 82 82 ARG H H 1 8.117 0.02 . 1 . . . . 297 ARG H . 18689 1 303 . 1 1 82 82 ARG CA C 13 59.156 0.3 . 1 . . . . 297 ARG CA . 18689 1 304 . 1 1 82 82 ARG CB C 13 29.517 0.3 . 1 . . . . 297 ARG CB . 18689 1 305 . 1 1 82 82 ARG N N 15 121.19 0.3 . 1 . . . . 297 ARG N . 18689 1 306 . 1 1 83 83 GLN H H 1 7.788 0.02 . 1 . . . . 298 GLN H . 18689 1 307 . 1 1 83 83 GLN CA C 13 57.603 0.3 . 1 . . . . 298 GLN CA . 18689 1 308 . 1 1 83 83 GLN CB C 13 28.868 0.3 . 1 . . . . 298 GLN CB . 18689 1 309 . 1 1 83 83 GLN N N 15 117.037 0.3 . 1 . . . . 298 GLN N . 18689 1 310 . 1 1 84 84 ILE H H 1 7.223 0.02 . 1 . . . . 299 ILE H . 18689 1 311 . 1 1 84 84 ILE CA C 13 64.628 0.3 . 1 . . . . 299 ILE CA . 18689 1 312 . 1 1 84 84 ILE CB C 13 36.778 0.3 . 1 . . . . 299 ILE CB . 18689 1 313 . 1 1 84 84 ILE N N 15 121.846 0.3 . 1 . . . . 299 ILE N . 18689 1 314 . 1 1 85 85 ALA H H 1 8.575 0.02 . 1 . . . . 300 ALA H . 18689 1 315 . 1 1 85 85 ALA CA C 13 56.284 0.3 . 1 . . . . 300 ALA CA . 18689 1 316 . 1 1 85 85 ALA CB C 13 20.414 0.3 . 1 . . . . 300 ALA CB . 18689 1 317 . 1 1 85 85 ALA N N 15 120.424 0.3 . 1 . . . . 300 ALA N . 18689 1 318 . 1 1 86 86 LYS H H 1 7.578 0.02 . 1 . . . . 301 LYS H . 18689 1 319 . 1 1 86 86 LYS CA C 13 59.535 0.3 . 1 . . . . 301 LYS CA . 18689 1 320 . 1 1 86 86 LYS CB C 13 32.876 0.3 . 1 . . . . 301 LYS CB . 18689 1 321 . 1 1 86 86 LYS N N 15 120.315 0.3 . 1 . . . . 301 LYS N . 18689 1 322 . 1 1 87 87 ALA H H 1 7.571 0.02 . 1 . . . . 302 ALA H . 18689 1 323 . 1 1 87 87 ALA CA C 13 55.417 0.3 . 1 . . . . 302 ALA CA . 18689 1 324 . 1 1 87 87 ALA CB C 13 17.867 0.3 . 1 . . . . 302 ALA CB . 18689 1 325 . 1 1 87 87 ALA N N 15 124.362 0.3 . 1 . . . . 302 ALA N . 18689 1 326 . 1 1 88 88 TYR H H 1 7.892 0.02 . 1 . . . . 303 TYR H . 18689 1 327 . 1 1 88 88 TYR CA C 13 61.594 0.3 . 1 . . . . 303 TYR CA . 18689 1 328 . 1 1 88 88 TYR CB C 13 38.566 0.3 . 1 . . . . 303 TYR CB . 18689 1 329 . 1 1 88 88 TYR N N 15 115.721 0.3 . 1 . . . . 303 TYR N . 18689 1 330 . 1 1 89 89 ALA H H 1 8.21 0.02 . 1 . . . . 304 ALA H . 18689 1 331 . 1 1 89 89 ALA CA C 13 56.013 0.3 . 1 . . . . 304 ALA CA . 18689 1 332 . 1 1 89 89 ALA CB C 13 18.138 0.3 . 1 . . . . 304 ALA CB . 18689 1 333 . 1 1 89 89 ALA N N 15 120.941 0.3 . 1 . . . . 304 ALA N . 18689 1 334 . 1 1 90 90 ARG H H 1 7.981 0.02 . 1 . . . . 305 ARG H . 18689 1 335 . 1 1 90 90 ARG CA C 13 59.264 0.3 . 1 . . . . 305 ARG CA . 18689 1 336 . 1 1 90 90 ARG CB C 13 27.945 0.3 . 1 . . . . 305 ARG CB . 18689 1 337 . 1 1 90 90 ARG N N 15 119.002 0.3 . 1 . . . . 305 ARG N . 18689 1 338 . 1 1 91 91 ILE H H 1 7.828 0.02 . 1 . . . . 306 ILE H . 18689 1 339 . 1 1 91 91 ILE CA C 13 66.471 0.3 . 1 . . . . 306 ILE CA . 18689 1 340 . 1 1 91 91 ILE CB C 13 37.807 0.3 . 1 . . . . 306 ILE CB . 18689 1 341 . 1 1 91 91 ILE N N 15 120.736 0.3 . 1 . . . . 306 ILE N . 18689 1 342 . 1 1 92 92 GLY H H 1 8.65 0.02 . 1 . . . . 307 GLY H . 18689 1 343 . 1 1 92 92 GLY CA C 13 48.861 0.3 . 1 . . . . 307 GLY CA . 18689 1 344 . 1 1 92 92 GLY N N 15 108.83 0.3 . 1 . . . . 307 GLY N . 18689 1 345 . 1 1 93 93 ASN H H 1 9.409 0.02 . 1 . . . . 308 ASN H . 18689 1 346 . 1 1 93 93 ASN CA C 13 55.417 0.3 . 1 . . . . 308 ASN CA . 18689 1 347 . 1 1 93 93 ASN CB C 13 37.861 0.3 . 1 . . . . 308 ASN CB . 18689 1 348 . 1 1 93 93 ASN N N 15 120.205 0.3 . 1 . . . . 308 ASN N . 18689 1 349 . 1 1 94 94 SER H H 1 8.5 0.02 . 1 . . . . 309 SER H . 18689 1 350 . 1 1 94 94 SER N N 15 119.44 0.3 . 1 . . . . 309 SER N . 18689 1 351 . 1 1 95 95 TYR H H 1 7.347 0.02 . 1 . . . . 310 TYR H . 18689 1 352 . 1 1 95 95 TYR CA C 13 61.973 0.3 . 1 . . . . 310 TYR CA . 18689 1 353 . 1 1 95 95 TYR N N 15 121.082 0.3 . 1 . . . . 310 TYR N . 18689 1 354 . 1 1 96 96 PHE H H 1 9.033 0.02 . 1 . . . . 311 PHE H . 18689 1 355 . 1 1 96 96 PHE CA C 13 62.028 0.3 . 1 . . . . 311 PHE CA . 18689 1 356 . 1 1 96 96 PHE CB C 13 40.191 0.3 . 1 . . . . 311 PHE CB . 18689 1 357 . 1 1 96 96 PHE N N 15 123.705 0.3 . 1 . . . . 311 PHE N . 18689 1 358 . 1 1 97 97 LYS H H 1 8.186 0.02 . 1 . . . . 312 LYS H . 18689 1 359 . 1 1 97 97 LYS CA C 13 57.53 0.3 . 1 . . . . 312 LYS CA . 18689 1 360 . 1 1 97 97 LYS CB C 13 31.684 0.3 . 1 . . . . 312 LYS CB . 18689 1 361 . 1 1 97 97 LYS N N 15 119.002 0.3 . 1 . . . . 312 LYS N . 18689 1 362 . 1 1 98 98 GLU H H 1 6.806 0.02 . 1 . . . . 313 GLU H . 18689 1 363 . 1 1 98 98 GLU CA C 13 56.338 0.3 . 1 . . . . 313 GLU CA . 18689 1 364 . 1 1 98 98 GLU CB C 13 31.305 0.3 . 1 . . . . 313 GLU CB . 18689 1 365 . 1 1 98 98 GLU N N 15 115.612 0.3 . 1 . . . . 313 GLU N . 18689 1 366 . 1 1 99 99 GLU H H 1 7.646 0.02 . 1 . . . . 314 GLU H . 18689 1 367 . 1 1 99 99 GLU CA C 13 56.934 0.3 . 1 . . . . 314 GLU CA . 18689 1 368 . 1 1 99 99 GLU CB C 13 26.049 0.3 . 1 . . . . 314 GLU CB . 18689 1 369 . 1 1 99 99 GLU N N 15 112.658 0.3 . 1 . . . . 314 GLU N . 18689 1 370 . 1 1 100 100 LYS H H 1 7.762 0.02 . 1 . . . . 315 LYS H . 18689 1 371 . 1 1 100 100 LYS CA C 13 53.792 0.3 . 1 . . . . 315 LYS CA . 18689 1 372 . 1 1 100 100 LYS CB C 13 30.839 0.3 . 1 . . . . 315 LYS CB . 18689 1 373 . 1 1 100 100 LYS N N 15 121.518 0.3 . 1 . . . . 315 LYS N . 18689 1 374 . 1 1 101 101 TYR H H 1 6.799 0.02 . 1 . . . . 316 TYR H . 18689 1 375 . 1 1 101 101 TYR CA C 13 62.624 0.3 . 1 . . . . 316 TYR CA . 18689 1 376 . 1 1 101 101 TYR CB C 13 38.403 0.3 . 1 . . . . 316 TYR CB . 18689 1 377 . 1 1 101 101 TYR N N 15 117.799 0.3 . 1 . . . . 316 TYR N . 18689 1 378 . 1 1 102 102 LYS H H 1 8.787 0.02 . 1 . . . . 317 LYS H . 18689 1 379 . 1 1 102 102 LYS CA C 13 60.348 0.3 . 1 . . . . 317 LYS CA . 18689 1 380 . 1 1 102 102 LYS CB C 13 31.793 0.3 . 1 . . . . 317 LYS CB . 18689 1 381 . 1 1 102 102 LYS N N 15 119.658 0.3 . 1 . . . . 317 LYS N . 18689 1 382 . 1 1 103 103 ASP H H 1 7.53 0.02 . 1 . . . . 318 ASP H . 18689 1 383 . 1 1 103 103 ASP CA C 13 57.151 0.3 . 1 . . . . 318 ASP CA . 18689 1 384 . 1 1 103 103 ASP CB C 13 39.487 0.3 . 1 . . . . 318 ASP CB . 18689 1 385 . 1 1 103 103 ASP N N 15 119.658 0.3 . 1 . . . . 318 ASP N . 18689 1 386 . 1 1 104 104 ALA H H 1 8.05 0.02 . 1 . . . . 319 ALA H . 18689 1 387 . 1 1 104 104 ALA CB C 13 17.921 0.3 . 1 . . . . 319 ALA CB . 18689 1 388 . 1 1 104 104 ALA N N 15 120.522 0.3 . 1 . . . . 319 ALA N . 18689 1 389 . 1 1 105 105 ILE H H 1 8.35 0.02 . 1 . . . . 320 ILE H . 18689 1 390 . 1 1 105 105 ILE CA C 13 65.766 0.3 . 1 . . . . 320 ILE CA . 18689 1 391 . 1 1 105 105 ILE CB C 13 39.541 0.3 . 1 . . . . 320 ILE CB . 18689 1 392 . 1 1 105 105 ILE N N 15 117.033 0.3 . 1 . . . . 320 ILE N . 18689 1 393 . 1 1 106 106 HIS H H 1 7.656 0.02 . 1 . . . . 321 HIS H . 18689 1 394 . 1 1 106 106 HIS CA C 13 59.969 0.3 . 1 . . . . 321 HIS CA . 18689 1 395 . 1 1 106 106 HIS CB C 13 29.759 0.3 . 1 . . . . 321 HIS CB . 18689 1 396 . 1 1 106 106 HIS N N 15 118.795 0.3 . 1 . . . . 321 HIS N . 18689 1 397 . 1 1 107 107 PHE H H 1 7.742 0.02 . 1 . . . . 322 PHE H . 18689 1 398 . 1 1 107 107 PHE CA C 13 63.816 0.3 . 1 . . . . 322 PHE CA . 18689 1 399 . 1 1 107 107 PHE CB C 13 38.782 0.3 . 1 . . . . 322 PHE CB . 18689 1 400 . 1 1 107 107 PHE N N 15 116.049 0.3 . 1 . . . . 322 PHE N . 18689 1 401 . 1 1 108 108 TYR H H 1 9.614 0.02 . 1 . . . . 323 TYR H . 18689 1 402 . 1 1 108 108 TYR CA C 13 58.668 0.3 . 1 . . . . 323 TYR CA . 18689 1 403 . 1 1 108 108 TYR CB C 13 36.181 0.3 . 1 . . . . 323 TYR CB . 18689 1 404 . 1 1 108 108 TYR N N 15 122.393 0.3 . 1 . . . . 323 TYR N . 18689 1 405 . 1 1 109 109 ASN H H 1 8.937 0.02 . 1 . . . . 324 ASN H . 18689 1 406 . 1 1 109 109 ASN CA C 13 56.663 0.3 . 1 . . . . 324 ASN CA . 18689 1 407 . 1 1 109 109 ASN CB C 13 37.482 0.3 . 1 . . . . 324 ASN CB . 18689 1 408 . 1 1 109 109 ASN N N 15 118.674 0.3 . 1 . . . . 324 ASN N . 18689 1 409 . 1 1 110 110 LYS H H 1 7.332 0.02 . 1 . . . . 325 LYS H . 18689 1 410 . 1 1 110 110 LYS CA C 13 59.21 0.3 . 1 . . . . 325 LYS CA . 18689 1 411 . 1 1 110 110 LYS CB C 13 30.46 0.3 . 1 . . . . 325 LYS CB . 18689 1 412 . 1 1 110 110 LYS N N 15 121.299 0.3 . 1 . . . . 325 LYS N . 18689 1 413 . 1 1 111 111 SER H H 1 8.035 0.02 . 1 . . . . 326 SER H . 18689 1 414 . 1 1 111 111 SER CA C 13 62.407 0.3 . 1 . . . . 326 SER CA . 18689 1 415 . 1 1 111 111 SER N N 15 112.112 0.3 . 1 . . . . 326 SER N . 18689 1 416 . 1 1 112 112 LEU H H 1 8.76 0.02 . 1 . . . . 327 LEU H . 18689 1 417 . 1 1 112 112 LEU CA C 13 56.934 0.3 . 1 . . . . 327 LEU CA . 18689 1 418 . 1 1 112 112 LEU CB C 13 42.359 0.3 . 1 . . . . 327 LEU CB . 18689 1 419 . 1 1 112 112 LEU N N 15 117.799 0.3 . 1 . . . . 327 LEU N . 18689 1 420 . 1 1 113 113 ALA H H 1 7.673 0.02 . 1 . . . . 328 ALA H . 18689 1 421 . 1 1 113 113 ALA CA C 13 54.008 0.3 . 1 . . . . 328 ALA CA . 18689 1 422 . 1 1 113 113 ALA CB C 13 18.138 0.3 . 1 . . . . 328 ALA CB . 18689 1 423 . 1 1 113 113 ALA N N 15 119.002 0.3 . 1 . . . . 328 ALA N . 18689 1 424 . 1 1 114 114 GLU H H 1 7.304 0.02 . 1 . . . . 329 GLU H . 18689 1 425 . 1 1 114 114 GLU CA C 13 57.584 0.3 . 1 . . . . 329 GLU CA . 18689 1 426 . 1 1 114 114 GLU CB C 13 30.275 0.3 . 1 . . . . 329 GLU CB . 18689 1 427 . 1 1 114 114 GLU N N 15 116.815 0.3 . 1 . . . . 329 GLU N . 18689 1 428 . 1 1 115 115 HIS H H 1 8.418 0.02 . 1 . . . . 330 HIS H . 18689 1 429 . 1 1 115 115 HIS CA C 13 55.688 0.3 . 1 . . . . 330 HIS CA . 18689 1 430 . 1 1 115 115 HIS CB C 13 33.635 0.3 . 1 . . . . 330 HIS CB . 18689 1 431 . 1 1 115 115 HIS N N 15 117.033 0.3 . 1 . . . . 330 HIS N . 18689 1 432 . 1 1 116 116 ARG H H 1 8.889 0.02 . 1 . . . . 331 ARG H . 18689 1 433 . 1 1 116 116 ARG CA C 13 57.855 0.3 . 1 . . . . 331 ARG CA . 18689 1 434 . 1 1 116 116 ARG CB C 13 29.625 0.3 . 1 . . . . 331 ARG CB . 18689 1 435 . 1 1 116 116 ARG N N 15 130.815 0.3 . 1 . . . . 331 ARG N . 18689 1 436 . 1 1 117 117 THR H H 1 6.573 0.02 . 1 . . . . 332 THR H . 18689 1 437 . 1 1 117 117 THR CA C 13 57.584 0.3 . 1 . . . . 332 THR CA . 18689 1 438 . 1 1 117 117 THR CB C 13 70.48 0.3 . 1 . . . . 332 THR CB . 18689 1 439 . 1 1 117 117 THR N N 15 113.752 0.3 . 1 . . . . 332 THR N . 18689 1 440 . 1 1 118 118 PRO CA C 13 64.628 0.3 . 1 . . . . 333 PRO CA . 18689 1 441 . 1 1 118 118 PRO CB C 13 31.63 0.3 . 1 . . . . 333 PRO CB . 18689 1 442 . 1 1 119 119 ASP H H 1 8.705 0.02 . 1 . . . . 334 ASP H . 18689 1 443 . 1 1 119 119 ASP CA C 13 56.772 0.3 . 1 . . . . 334 ASP CA . 18689 1 444 . 1 1 119 119 ASP CB C 13 40.029 0.3 . 1 . . . . 334 ASP CB . 18689 1 445 . 1 1 119 119 ASP N N 15 115.94 0.3 . 1 . . . . 334 ASP N . 18689 1 446 . 1 1 120 120 VAL H H 1 7.045 0.02 . 1 . . . . 335 VAL H . 18689 1 447 . 1 1 120 120 VAL CA C 13 66.037 0.3 . 1 . . . . 335 VAL CA . 18689 1 448 . 1 1 120 120 VAL CB C 13 31.088 0.3 . 1 . . . . 335 VAL CB . 18689 1 449 . 1 1 120 120 VAL N N 15 119.768 0.3 . 1 . . . . 335 VAL N . 18689 1 450 . 1 1 121 121 LEU H H 1 7.529 0.02 . 1 . . . . 336 LEU H . 18689 1 451 . 1 1 121 121 LEU CA C 13 58.56 0.3 . 1 . . . . 336 LEU CA . 18689 1 452 . 1 1 121 121 LEU CB C 13 41.763 0.3 . 1 . . . . 336 LEU CB . 18689 1 453 . 1 1 121 121 LEU N N 15 121.541 0.3 . 1 . . . . 336 LEU N . 18689 1 454 . 1 1 122 122 LYS H H 1 7.776 0.02 . 1 . . . . 337 LYS H . 18689 1 455 . 1 1 122 122 LYS CA C 13 59.156 0.3 . 1 . . . . 337 LYS CA . 18689 1 456 . 1 1 122 122 LYS CB C 13 32.226 0.3 . 1 . . . . 337 LYS CB . 18689 1 457 . 1 1 122 122 LYS N N 15 117.362 0.3 . 1 . . . . 337 LYS N . 18689 1 458 . 1 1 123 123 LYS H H 1 7.366 0.02 . 1 . . . . 338 LYS H . 18689 1 459 . 1 1 123 123 LYS CA C 13 58.289 0.3 . 1 . . . . 338 LYS CA . 18689 1 460 . 1 1 123 123 LYS CB C 13 31.738 0.3 . 1 . . . . 338 LYS CB . 18689 1 461 . 1 1 123 123 LYS N N 15 120.096 0.3 . 1 . . . . 338 LYS N . 18689 1 462 . 1 1 124 124 CYS H H 1 8.288 0.02 . 1 . . . . 339 CYS H . 18689 1 463 . 1 1 124 124 CYS CA C 13 63.165 0.3 . 1 . . . . 339 CYS CA . 18689 1 464 . 1 1 124 124 CYS CB C 13 26.374 0.3 . 1 . . . . 339 CYS CB . 18689 1 465 . 1 1 124 124 CYS N N 15 119.768 0.3 . 1 . . . . 339 CYS N . 18689 1 466 . 1 1 125 125 GLN H H 1 8.302 0.02 . 1 . . . . 340 GLN H . 18689 1 467 . 1 1 125 125 GLN CA C 13 58.885 0.3 . 1 . . . . 340 GLN CA . 18689 1 468 . 1 1 125 125 GLN CB C 13 28.054 0.3 . 1 . . . . 340 GLN CB . 18689 1 469 . 1 1 125 125 GLN N N 15 117.471 0.3 . 1 . . . . 340 GLN N . 18689 1 470 . 1 1 126 126 GLN H H 1 8.234 0.02 . 1 . . . . 341 GLN H . 18689 1 471 . 1 1 126 126 GLN CA C 13 59.047 0.3 . 1 . . . . 341 GLN CA . 18689 1 472 . 1 1 126 126 GLN CB C 13 28.216 0.3 . 1 . . . . 341 GLN CB . 18689 1 473 . 1 1 126 126 GLN N N 15 120.862 0.3 . 1 . . . . 341 GLN N . 18689 1 474 . 1 1 127 127 ALA H H 1 8.541 0.02 . 1 . . . . 342 ALA H . 18689 1 475 . 1 1 127 127 ALA CA C 13 55.525 0.3 . 1 . . . . 342 ALA CA . 18689 1 476 . 1 1 127 127 ALA CB C 13 18.734 0.3 . 1 . . . . 342 ALA CB . 18689 1 477 . 1 1 127 127 ALA N N 15 121.627 0.3 . 1 . . . . 342 ALA N . 18689 1 478 . 1 1 128 128 GLU H H 1 8.575 0.02 . 1 . . . . 343 GLU H . 18689 1 479 . 1 1 128 128 GLU CA C 13 59.698 0.3 . 1 . . . . 343 GLU CA . 18689 1 480 . 1 1 128 128 GLU CB C 13 30.113 0.3 . 1 . . . . 343 GLU CB . 18689 1 481 . 1 1 128 128 GLU N N 15 116.924 0.3 . 1 . . . . 343 GLU N . 18689 1 482 . 1 1 129 129 LYS H H 1 7.905 0.02 . 1 . . . . 344 LYS H . 18689 1 483 . 1 1 129 129 LYS CB C 13 32.605 0.3 . 1 . . . . 344 LYS CB . 18689 1 484 . 1 1 129 129 LYS N N 15 120.428 0.3 . 1 . . . . 344 LYS N . 18689 1 485 . 1 1 130 130 ILE H H 1 7.824 0.02 . 1 . . . . 345 ILE H . 18689 1 486 . 1 1 130 130 ILE CA C 13 64.899 0.3 . 1 . . . . 345 ILE CA . 18689 1 487 . 1 1 130 130 ILE CB C 13 38.078 0.3 . 1 . . . . 345 ILE CB . 18689 1 488 . 1 1 130 130 ILE N N 15 120.205 0.3 . 1 . . . . 345 ILE N . 18689 1 489 . 1 1 131 131 LEU H H 1 7.878 0.02 . 1 . . . . 346 LEU H . 18689 1 490 . 1 1 131 131 LEU CA C 13 57.855 0.3 . 1 . . . . 346 LEU CA . 18689 1 491 . 1 1 131 131 LEU CB C 13 42.088 0.3 . 1 . . . . 346 LEU CB . 18689 1 492 . 1 1 131 131 LEU N N 15 119.768 0.3 . 1 . . . . 346 LEU N . 18689 1 493 . 1 1 132 132 LYS H H 1 7.899 0.02 . 1 . . . . 347 LYS H . 18689 1 494 . 1 1 132 132 LYS CA C 13 58.614 0.3 . 1 . . . . 347 LYS CA . 18689 1 495 . 1 1 132 132 LYS CB C 13 32.226 0.3 . 1 . . . . 347 LYS CB . 18689 1 496 . 1 1 132 132 LYS N N 15 118.018 0.3 . 1 . . . . 347 LYS N . 18689 1 497 . 1 1 133 133 GLU H H 1 7.869 0.02 . 1 . . . . 348 GLU H . 18689 1 498 . 1 1 133 133 GLU CA C 13 58.397 0.3 . 1 . . . . 348 GLU CA . 18689 1 499 . 1 1 133 133 GLU CB C 13 29.571 0.3 . 1 . . . . 348 GLU CB . 18689 1 500 . 1 1 133 133 GLU N N 15 118.459 0.3 . 1 . . . . 348 GLU N . 18689 1 501 . 1 1 134 134 GLN H H 1 8.008 0.02 . 1 . . . . 349 GLN H . 18689 1 502 . 1 1 134 134 GLN CA C 13 57.476 0.3 . 1 . . . . 349 GLN CA . 18689 1 503 . 1 1 134 134 GLN CB C 13 29.029 0.3 . 1 . . . . 349 GLN CB . 18689 1 504 . 1 1 134 134 GLN N N 15 117.908 0.3 . 1 . . . . 349 GLN N . 18689 1 505 . 1 1 135 135 GLU H H 1 7.885 0.02 . 1 . . . . 350 GLU H . 18689 1 506 . 1 1 135 135 GLU CA C 13 57.205 0.3 . 1 . . . . 350 GLU CA . 18689 1 507 . 1 1 135 135 GLU CB C 13 29.95 0.3 . 1 . . . . 350 GLU CB . 18689 1 508 . 1 1 135 135 GLU N N 15 118.893 0.3 . 1 . . . . 350 GLU N . 18689 1 509 . 1 1 136 136 ARG H H 1 7.858 0.02 . 1 . . . . 351 ARG H . 18689 1 510 . 1 1 136 136 ARG CA C 13 56.121 0.3 . 1 . . . . 351 ARG CA . 18689 1 511 . 1 1 136 136 ARG CB C 13 30.438 0.3 . 1 . . . . 351 ARG CB . 18689 1 512 . 1 1 136 136 ARG N N 15 120.424 0.3 . 1 . . . . 351 ARG N . 18689 1 513 . 1 1 137 137 LEU H H 1 7.762 0.02 . 1 . . . . 352 LEU H . 18689 1 514 . 1 1 137 137 LEU CA C 13 56.609 0.3 . 1 . . . . 352 LEU CA . 18689 1 515 . 1 1 137 137 LEU CB C 13 43.334 0.3 . 1 . . . . 352 LEU CB . 18689 1 516 . 1 1 137 137 LEU N N 15 128.627 0.3 . 1 . . . . 352 LEU N . 18689 1 stop_ save_