data_51606 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51606 _Entry.Title ; KH1-2 Fragile X mental retardation protein D331-396 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-08-31 _Entry.Accession_date 2022-08-31 _Entry.Last_release_date 2022-09-01 _Entry.Original_release_date 2022-09-01 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Belen 'Chaves Arquero' . . . . 51606 2 Katherine 'M. Collins' . . . . 51606 3 Giancarlo Abis . . . . 51606 4 Andres Ramos . . . . 51606 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51606 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 174 51606 '15N chemical shifts' 94 51606 '1H chemical shifts' 95 51606 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-12-19 . original BMRB . 51606 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51606 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37426752 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Affinity-enhanced RNA-binding domains as tools to understand RNA recognition ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Rep. Methods' _Citation.Journal_name_full 'Cell reports methods' _Citation.Journal_volume 3 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2667-2375 _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 100508 _Citation.Page_last 100508 _Citation.Year 2023 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Belen 'Chaves Arquero' . . . . 51606 1 2 Katherine 'M. Collins' . . . . 51606 1 3 Giancarlo Abis . . . . 51606 1 4 Geoff Kelly . . . . 51606 1 5 Evangelios Christodoulou . . . . 51606 1 6 Ian Taylor . . . . 51606 1 7 Andres Ramos . . . . 51606 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51606 _Assembly.ID 1 _Assembly.Name 'FMRP KH1KH2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'Didomain KH1KH2' 1 $entity_1 . . yes native no no . . . 51606 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51606 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ASRFHEQFIVREDLMGLAIG THGANIQQARKVPGVTAIDL DEDTCTFHIYGEDQDAVKKA RSFLEFAEDVIQVPRNLVGK VIGKNGKLIQEIVDKSGVVR VRIEAENEKNVPQEEGMVPF VFVGTKDSIANATVLLDYHL NYLK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 144 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 ALA . 51606 1 2 217 SER . 51606 1 3 218 ARG . 51606 1 4 219 PHE . 51606 1 5 220 HIS . 51606 1 6 221 GLU . 51606 1 7 222 GLN . 51606 1 8 223 PHE . 51606 1 9 224 ILE . 51606 1 10 225 VAL . 51606 1 11 226 ARG . 51606 1 12 227 GLU . 51606 1 13 228 ASP . 51606 1 14 229 LEU . 51606 1 15 230 MET . 51606 1 16 231 GLY . 51606 1 17 232 LEU . 51606 1 18 233 ALA . 51606 1 19 234 ILE . 51606 1 20 235 GLY . 51606 1 21 236 THR . 51606 1 22 237 HIS . 51606 1 23 238 GLY . 51606 1 24 239 ALA . 51606 1 25 240 ASN . 51606 1 26 241 ILE . 51606 1 27 242 GLN . 51606 1 28 243 GLN . 51606 1 29 244 ALA . 51606 1 30 245 ARG . 51606 1 31 246 LYS . 51606 1 32 247 VAL . 51606 1 33 248 PRO . 51606 1 34 249 GLY . 51606 1 35 250 VAL . 51606 1 36 251 THR . 51606 1 37 252 ALA . 51606 1 38 253 ILE . 51606 1 39 254 ASP . 51606 1 40 255 LEU . 51606 1 41 256 ASP . 51606 1 42 257 GLU . 51606 1 43 258 ASP . 51606 1 44 259 THR . 51606 1 45 260 CYS . 51606 1 46 261 THR . 51606 1 47 262 PHE . 51606 1 48 263 HIS . 51606 1 49 264 ILE . 51606 1 50 265 TYR . 51606 1 51 266 GLY . 51606 1 52 267 GLU . 51606 1 53 268 ASP . 51606 1 54 269 GLN . 51606 1 55 270 ASP . 51606 1 56 271 ALA . 51606 1 57 272 VAL . 51606 1 58 273 LYS . 51606 1 59 274 LYS . 51606 1 60 275 ALA . 51606 1 61 276 ARG . 51606 1 62 277 SER . 51606 1 63 278 PHE . 51606 1 64 279 LEU . 51606 1 65 280 GLU . 51606 1 66 281 PHE . 51606 1 67 282 ALA . 51606 1 68 283 GLU . 51606 1 69 284 ASP . 51606 1 70 285 VAL . 51606 1 71 286 ILE . 51606 1 72 287 GLN . 51606 1 73 288 VAL . 51606 1 74 289 PRO . 51606 1 75 290 ARG . 51606 1 76 291 ASN . 51606 1 77 292 LEU . 51606 1 78 293 VAL . 51606 1 79 294 GLY . 51606 1 80 295 LYS . 51606 1 81 296 VAL . 51606 1 82 297 ILE . 51606 1 83 298 GLY . 51606 1 84 299 LYS . 51606 1 85 300 ASN . 51606 1 86 301 GLY . 51606 1 87 302 LYS . 51606 1 88 303 LEU . 51606 1 89 304 ILE . 51606 1 90 305 GLN . 51606 1 91 306 GLU . 51606 1 92 307 ILE . 51606 1 93 308 VAL . 51606 1 94 309 ASP . 51606 1 95 310 LYS . 51606 1 96 311 SER . 51606 1 97 312 GLY . 51606 1 98 313 VAL . 51606 1 99 314 VAL . 51606 1 100 315 ARG . 51606 1 101 316 VAL . 51606 1 102 317 ARG . 51606 1 103 318 ILE . 51606 1 104 319 GLU . 51606 1 105 320 ALA . 51606 1 106 321 GLU . 51606 1 107 322 ASN . 51606 1 108 323 GLU . 51606 1 109 324 LYS . 51606 1 110 325 ASN . 51606 1 111 326 VAL . 51606 1 112 327 PRO . 51606 1 113 328 GLN . 51606 1 114 329 GLU . 51606 1 115 330 GLU . 51606 1 116 331 GLY . 51606 1 117 332 MET . 51606 1 118 333 VAL . 51606 1 119 334 PRO . 51606 1 120 335 PHE . 51606 1 121 336 VAL . 51606 1 122 337 PHE . 51606 1 123 338 VAL . 51606 1 124 339 GLY . 51606 1 125 340 THR . 51606 1 126 341 LYS . 51606 1 127 342 ASP . 51606 1 128 343 SER . 51606 1 129 344 ILE . 51606 1 130 345 ALA . 51606 1 131 346 ASN . 51606 1 132 347 ALA . 51606 1 133 348 THR . 51606 1 134 349 VAL . 51606 1 135 350 LEU . 51606 1 136 351 LEU . 51606 1 137 352 ASP . 51606 1 138 353 TYR . 51606 1 139 354 HIS . 51606 1 140 355 LEU . 51606 1 141 356 ASN . 51606 1 142 357 TYR . 51606 1 143 358 LEU . 51606 1 144 359 LYS . 51606 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 51606 1 . SER 2 2 51606 1 . ARG 3 3 51606 1 . PHE 4 4 51606 1 . HIS 5 5 51606 1 . GLU 6 6 51606 1 . GLN 7 7 51606 1 . PHE 8 8 51606 1 . ILE 9 9 51606 1 . VAL 10 10 51606 1 . ARG 11 11 51606 1 . GLU 12 12 51606 1 . ASP 13 13 51606 1 . LEU 14 14 51606 1 . MET 15 15 51606 1 . GLY 16 16 51606 1 . LEU 17 17 51606 1 . ALA 18 18 51606 1 . ILE 19 19 51606 1 . GLY 20 20 51606 1 . THR 21 21 51606 1 . HIS 22 22 51606 1 . GLY 23 23 51606 1 . ALA 24 24 51606 1 . ASN 25 25 51606 1 . ILE 26 26 51606 1 . GLN 27 27 51606 1 . GLN 28 28 51606 1 . ALA 29 29 51606 1 . ARG 30 30 51606 1 . LYS 31 31 51606 1 . VAL 32 32 51606 1 . PRO 33 33 51606 1 . GLY 34 34 51606 1 . VAL 35 35 51606 1 . THR 36 36 51606 1 . ALA 37 37 51606 1 . ILE 38 38 51606 1 . ASP 39 39 51606 1 . LEU 40 40 51606 1 . ASP 41 41 51606 1 . GLU 42 42 51606 1 . ASP 43 43 51606 1 . THR 44 44 51606 1 . CYS 45 45 51606 1 . THR 46 46 51606 1 . PHE 47 47 51606 1 . HIS 48 48 51606 1 . ILE 49 49 51606 1 . TYR 50 50 51606 1 . GLY 51 51 51606 1 . GLU 52 52 51606 1 . ASP 53 53 51606 1 . GLN 54 54 51606 1 . ASP 55 55 51606 1 . ALA 56 56 51606 1 . VAL 57 57 51606 1 . LYS 58 58 51606 1 . LYS 59 59 51606 1 . ALA 60 60 51606 1 . ARG 61 61 51606 1 . SER 62 62 51606 1 . PHE 63 63 51606 1 . LEU 64 64 51606 1 . GLU 65 65 51606 1 . PHE 66 66 51606 1 . ALA 67 67 51606 1 . GLU 68 68 51606 1 . ASP 69 69 51606 1 . VAL 70 70 51606 1 . ILE 71 71 51606 1 . GLN 72 72 51606 1 . VAL 73 73 51606 1 . PRO 74 74 51606 1 . ARG 75 75 51606 1 . ASN 76 76 51606 1 . LEU 77 77 51606 1 . VAL 78 78 51606 1 . GLY 79 79 51606 1 . LYS 80 80 51606 1 . VAL 81 81 51606 1 . ILE 82 82 51606 1 . GLY 83 83 51606 1 . LYS 84 84 51606 1 . ASN 85 85 51606 1 . GLY 86 86 51606 1 . LYS 87 87 51606 1 . LEU 88 88 51606 1 . ILE 89 89 51606 1 . GLN 90 90 51606 1 . GLU 91 91 51606 1 . ILE 92 92 51606 1 . VAL 93 93 51606 1 . ASP 94 94 51606 1 . LYS 95 95 51606 1 . SER 96 96 51606 1 . GLY 97 97 51606 1 . VAL 98 98 51606 1 . VAL 99 99 51606 1 . ARG 100 100 51606 1 . VAL 101 101 51606 1 . ARG 102 102 51606 1 . ILE 103 103 51606 1 . GLU 104 104 51606 1 . ALA 105 105 51606 1 . GLU 106 106 51606 1 . ASN 107 107 51606 1 . GLU 108 108 51606 1 . LYS 109 109 51606 1 . ASN 110 110 51606 1 . VAL 111 111 51606 1 . PRO 112 112 51606 1 . GLN 113 113 51606 1 . GLU 114 114 51606 1 . GLU 115 115 51606 1 . GLY 116 116 51606 1 . MET 117 117 51606 1 . VAL 118 118 51606 1 . PRO 119 119 51606 1 . PHE 120 120 51606 1 . VAL 121 121 51606 1 . PHE 122 122 51606 1 . VAL 123 123 51606 1 . GLY 124 124 51606 1 . THR 125 125 51606 1 . LYS 126 126 51606 1 . ASP 127 127 51606 1 . SER 128 128 51606 1 . ILE 129 129 51606 1 . ALA 130 130 51606 1 . ASN 131 131 51606 1 . ALA 132 132 51606 1 . THR 133 133 51606 1 . VAL 134 134 51606 1 . LEU 135 135 51606 1 . LEU 136 136 51606 1 . ASP 137 137 51606 1 . TYR 138 138 51606 1 . HIS 139 139 51606 1 . LEU 140 140 51606 1 . ASN 141 141 51606 1 . TYR 142 142 51606 1 . LEU 143 143 51606 1 . LYS 144 144 51606 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51606 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51606 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51606 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-47b . . . 51606 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51606 _Sample.ID 1 _Sample.Name 'FMRP KH1KH2 D331-396' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Fragile X mental retardation protein D331-396' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 200 . . uM . . . . 51606 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 51606 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR FMRP standard conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.9 . pH 51606 1 temperature 301.2 . K 51606 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51606 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51606 1 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 51606 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51606 _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 '3D HNCA' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51606 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51606 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51606 1 4 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51606 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51606 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 51606 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name FMRP_KH1KH2_NMRref _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 na 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 51606 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51606 1 N 15 na 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 51606 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 51606 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name FMRP_KH1KH2 _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 '3D HNCA' . . . 51606 1 2 '3D 1H-15N NOESY' . . . 51606 1 3 '3D HNCACB' . . . 51606 1 4 '3D HN(CO)CACB' . . . 51606 1 5 '2D 1H-15N HSQC' . . . 51606 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51606 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 8.09 0.00 . . . . . . . 216 ALA HN . 51606 1 2 . 1 . 1 1 1 ALA CA C 13 51.12 0.00 . . . . . . . 216 ALA CA . 51606 1 3 . 1 . 1 1 1 ALA CB C 13 17.80 0.00 . . . . . . . 216 ALA CB . 51606 1 4 . 1 . 1 1 1 ALA N N 15 123.71 0.00 . . . . . . . 216 ALA N . 51606 1 5 . 1 . 1 2 2 SER H H 1 8.20 0.00 . . . . . . . 217 SER HN . 51606 1 6 . 1 . 1 2 2 SER CA C 13 57.40 0.00 . . . . . . . 217 SER CA . 51606 1 7 . 1 . 1 2 2 SER CB C 13 63.42 0.00 . . . . . . . 217 SER CB . 51606 1 8 . 1 . 1 2 2 SER N N 15 115.73 0.00 . . . . . . . 217 SER N . 51606 1 9 . 1 . 1 3 3 ARG H H 1 8.45 0.00 . . . . . . . 218 ARG HN . 51606 1 10 . 1 . 1 3 3 ARG CB C 13 30.03 0.00 . . . . . . . 218 ARG CB . 51606 1 11 . 1 . 1 3 3 ARG N N 15 123.59 0.00 . . . . . . . 218 ARG N . 51606 1 12 . 1 . 1 4 4 PHE H H 1 8.47 0.00 . . . . . . . 219 PHE HN . 51606 1 13 . 1 . 1 4 4 PHE CA C 13 56.45 0.00 . . . . . . . 219 PHE CA . 51606 1 14 . 1 . 1 4 4 PHE CB C 13 40.37 0.00 . . . . . . . 219 PHE CB . 51606 1 15 . 1 . 1 4 4 PHE N N 15 115.85 0.00 . . . . . . . 219 PHE N . 51606 1 16 . 1 . 1 5 5 HIS H H 1 8.78 0.00 . . . . . . . 220 HIS HN . 51606 1 17 . 1 . 1 5 5 HIS CA C 13 52.13 0.00 . . . . . . . 220 HIS CA . 51606 1 18 . 1 . 1 5 5 HIS CB C 13 30.84 0.00 . . . . . . . 220 HIS CB . 51606 1 19 . 1 . 1 5 5 HIS N N 15 122.36 0.00 . . . . . . . 220 HIS N . 51606 1 20 . 1 . 1 6 6 GLU H H 1 9.03 0.00 . . . . . . . 221 GLU HN . 51606 1 21 . 1 . 1 6 6 GLU CA C 13 53.55 0.00 . . . . . . . 221 GLU CA . 51606 1 22 . 1 . 1 6 6 GLU CB C 13 32.06 0.00 . . . . . . . 221 GLU CB . 51606 1 23 . 1 . 1 6 6 GLU N N 15 126.87 0.00 . . . . . . . 221 GLU N . 51606 1 24 . 1 . 1 7 7 GLN H H 1 8.53 0.00 . . . . . . . 222 GLN HN . 51606 1 25 . 1 . 1 7 7 GLN CA C 13 52.13 0.00 . . . . . . . 222 GLN CA . 51606 1 26 . 1 . 1 7 7 GLN N N 15 120.10 0.00 . . . . . . . 222 GLN N . 51606 1 27 . 1 . 1 9 9 ILE H H 1 8.44 0.00 . . . . . . . 224 ILE HN . 51606 1 28 . 1 . 1 9 9 ILE CB C 13 39.56 0.00 . . . . . . . 224 ILE CB . 51606 1 29 . 1 . 1 9 9 ILE N N 15 120.44 0.00 . . . . . . . 224 ILE N . 51606 1 30 . 1 . 1 10 10 VAL H H 1 8.25 0.00 . . . . . . . 225 VAL HN . 51606 1 31 . 1 . 1 10 10 VAL CA C 13 59.98 0.00 . . . . . . . 225 VAL CA . 51606 1 32 . 1 . 1 10 10 VAL CB C 13 33.87 0.00 . . . . . . . 225 VAL CB . 51606 1 33 . 1 . 1 10 10 VAL N N 15 126.68 0.00 . . . . . . . 225 VAL N . 51606 1 34 . 1 . 1 11 11 ARG H H 1 8.53 0.00 . . . . . . . 226 ARG HN . 51606 1 35 . 1 . 1 11 11 ARG CA C 13 56.71 0.00 . . . . . . . 226 ARG CA . 51606 1 36 . 1 . 1 11 11 ARG CB C 13 30.41 0.00 . . . . . . . 226 ARG CB . 51606 1 37 . 1 . 1 11 11 ARG N N 15 126.57 0.00 . . . . . . . 226 ARG N . 51606 1 38 . 1 . 1 12 12 GLU H H 1 8.72 0.00 . . . . . . . 227 GLU HN . 51606 1 39 . 1 . 1 12 12 GLU CA C 13 59.67 0.00 . . . . . . . 227 GLU CA . 51606 1 40 . 1 . 1 12 12 GLU CB C 13 28.52 0.00 . . . . . . . 227 GLU CB . 51606 1 41 . 1 . 1 12 12 GLU N N 15 124.27 0.00 . . . . . . . 227 GLU N . 51606 1 42 . 1 . 1 13 13 ASP H H 1 9.05 0.00 . . . . . . . 228 ASP HN . 51606 1 43 . 1 . 1 13 13 ASP CA C 13 54.02 0.00 . . . . . . . 228 ASP CA . 51606 1 44 . 1 . 1 13 13 ASP CB C 13 37.60 0.00 . . . . . . . 228 ASP CB . 51606 1 45 . 1 . 1 13 13 ASP N N 15 114.89 0.00 . . . . . . . 228 ASP N . 51606 1 46 . 1 . 1 15 15 MET H H 1 7.47 0.00 . . . . . . . 230 MET HN . 51606 1 47 . 1 . 1 15 15 MET CA C 13 56.72 0.00 . . . . . . . 230 MET CA . 51606 1 48 . 1 . 1 15 15 MET CB C 13 30.23 0.00 . . . . . . . 230 MET CB . 51606 1 49 . 1 . 1 15 15 MET N N 15 121.01 0.00 . . . . . . . 230 MET N . 51606 1 50 . 1 . 1 16 16 GLY H H 1 8.51 0.00 . . . . . . . 231 GLY HN . 51606 1 51 . 1 . 1 16 16 GLY CA C 13 45.78 0.00 . . . . . . . 231 GLY CA . 51606 1 52 . 1 . 1 16 16 GLY N N 15 106.11 0.00 . . . . . . . 231 GLY N . 51606 1 53 . 1 . 1 17 17 LEU H H 1 7.24 0.00 . . . . . . . 232 LEU HN . 51606 1 54 . 1 . 1 17 17 LEU CA C 13 55.33 0.00 . . . . . . . 232 LEU CA . 51606 1 55 . 1 . 1 17 17 LEU CB C 13 38.74 0.00 . . . . . . . 232 LEU CB . 51606 1 56 . 1 . 1 17 17 LEU N N 15 122.80 0.00 . . . . . . . 232 LEU N . 51606 1 57 . 1 . 1 18 18 ALA H H 1 7.34 0.00 . . . . . . . 233 ALA HN . 51606 1 58 . 1 . 1 18 18 ALA CA C 13 54.02 0.00 . . . . . . . 233 ALA CA . 51606 1 59 . 1 . 1 18 18 ALA CB C 13 17.73 0.00 . . . . . . . 233 ALA CB . 51606 1 60 . 1 . 1 18 18 ALA N N 15 120.22 0.00 . . . . . . . 233 ALA N . 51606 1 61 . 1 . 1 19 19 ILE H H 1 8.26 0.00 . . . . . . . 234 ILE HN . 51606 1 62 . 1 . 1 19 19 ILE CA C 13 62.97 0.00 . . . . . . . 234 ILE CA . 51606 1 63 . 1 . 1 19 19 ILE CB C 13 37.00 0.00 . . . . . . . 234 ILE CB . 51606 1 64 . 1 . 1 19 19 ILE N N 15 114.79 0.00 . . . . . . . 234 ILE N . 51606 1 65 . 1 . 1 20 20 GLY H H 1 7.43 0.00 . . . . . . . 235 GLY HN . 51606 1 66 . 1 . 1 20 20 GLY CA C 13 42.74 0.00 . . . . . . . 235 GLY CA . 51606 1 67 . 1 . 1 20 20 GLY N N 15 107.20 0.00 . . . . . . . 235 GLY N . 51606 1 68 . 1 . 1 23 23 GLY H H 1 8.06 0.00 . . . . . . . 238 GLY HN . 51606 1 69 . 1 . 1 23 23 GLY CA C 13 44.97 0.00 . . . . . . . 238 GLY CA . 51606 1 70 . 1 . 1 23 23 GLY N N 15 105.63 0.00 . . . . . . . 238 GLY N . 51606 1 71 . 1 . 1 24 24 ALA H H 1 7.62 0.00 . . . . . . . 239 ALA HN . 51606 1 72 . 1 . 1 24 24 ALA CA C 13 54.49 0.00 . . . . . . . 239 ALA CA . 51606 1 73 . 1 . 1 24 24 ALA CB C 13 17.87 0.00 . . . . . . . 239 ALA CB . 51606 1 74 . 1 . 1 24 24 ALA N N 15 119.56 0.00 . . . . . . . 239 ALA N . 51606 1 75 . 1 . 1 25 25 ASN H H 1 8.27 0.00 . . . . . . . 240 ASN HN . 51606 1 76 . 1 . 1 25 25 ASN CA C 13 55.31 0.00 . . . . . . . 240 ASN CA . 51606 1 77 . 1 . 1 25 25 ASN CB C 13 36.90 0.00 . . . . . . . 240 ASN CB . 51606 1 78 . 1 . 1 25 25 ASN N N 15 115.96 0.00 . . . . . . . 240 ASN N . 51606 1 79 . 1 . 1 26 26 ILE H H 1 7.86 0.00 . . . . . . . 241 ILE HN . 51606 1 80 . 1 . 1 26 26 ILE CA C 13 63.55 0.00 . . . . . . . 241 ILE CA . 51606 1 81 . 1 . 1 26 26 ILE N N 15 119.51 0.00 . . . . . . . 241 ILE N . 51606 1 82 . 1 . 1 28 28 GLN H H 1 7.45 0.00 . . . . . . . 243 GLN HN . 51606 1 83 . 1 . 1 28 28 GLN CA C 13 57.34 0.00 . . . . . . . 243 GLN CA . 51606 1 84 . 1 . 1 28 28 GLN CB C 13 26.51 0.00 . . . . . . . 243 GLN CB . 51606 1 85 . 1 . 1 28 28 GLN N N 15 117.66 0.00 . . . . . . . 243 GLN N . 51606 1 86 . 1 . 1 29 29 ALA H H 1 7.81 0.00 . . . . . . . 244 ALA HN . 51606 1 87 . 1 . 1 29 29 ALA CA C 13 53.94 0.00 . . . . . . . 244 ALA CA . 51606 1 88 . 1 . 1 29 29 ALA CB C 13 17.47 0.00 . . . . . . . 244 ALA CB . 51606 1 89 . 1 . 1 29 29 ALA N N 15 122.80 0.00 . . . . . . . 244 ALA N . 51606 1 90 . 1 . 1 30 30 ARG H H 1 8.01 0.00 . . . . . . . 245 ARG HN . 51606 1 91 . 1 . 1 30 30 ARG CA C 13 57.33 0.00 . . . . . . . 245 ARG CA . 51606 1 92 . 1 . 1 30 30 ARG CB C 13 29.29 0.00 . . . . . . . 245 ARG CB . 51606 1 93 . 1 . 1 30 30 ARG N N 15 113.60 0.00 . . . . . . . 245 ARG N . 51606 1 94 . 1 . 1 31 31 LYS H H 1 7.26 0.00 . . . . . . . 246 LYS HN . 51606 1 95 . 1 . 1 31 31 LYS CA C 13 54.97 0.00 . . . . . . . 246 LYS CA . 51606 1 96 . 1 . 1 31 31 LYS CB C 13 31.18 0.00 . . . . . . . 246 LYS CB . 51606 1 97 . 1 . 1 31 31 LYS N N 15 115.88 0.00 . . . . . . . 246 LYS N . 51606 1 98 . 1 . 1 32 32 VAL H H 1 7.17 0.00 . . . . . . . 247 VAL HN . 51606 1 99 . 1 . 1 32 32 VAL CA C 13 60.64 0.00 . . . . . . . 247 VAL CA . 51606 1 100 . 1 . 1 32 32 VAL CB C 13 30.84 0.00 . . . . . . . 247 VAL CB . 51606 1 101 . 1 . 1 32 32 VAL N N 15 125.33 0.00 . . . . . . . 247 VAL N . 51606 1 102 . 1 . 1 34 34 GLY H H 1 8.74 0.00 . . . . . . . 249 GLY HN . 51606 1 103 . 1 . 1 34 34 GLY CA C 13 44.08 0.00 . . . . . . . 249 GLY CA . 51606 1 104 . 1 . 1 34 34 GLY N N 15 112.63 0.00 . . . . . . . 249 GLY N . 51606 1 105 . 1 . 1 35 35 VAL H H 1 7.94 0.00 . . . . . . . 250 VAL HN . 51606 1 106 . 1 . 1 35 35 VAL CA C 13 62.74 0.00 . . . . . . . 250 VAL CA . 51606 1 107 . 1 . 1 35 35 VAL CB C 13 30.17 0.00 . . . . . . . 250 VAL CB . 51606 1 108 . 1 . 1 35 35 VAL N N 15 121.73 0.00 . . . . . . . 250 VAL N . 51606 1 109 . 1 . 1 36 36 THR H H 1 9.61 0.00 . . . . . . . 251 THR HN . 51606 1 110 . 1 . 1 36 36 THR CA C 13 62.74 0.00 . . . . . . . 251 THR CA . 51606 1 111 . 1 . 1 36 36 THR CB C 13 68.01 0.00 . . . . . . . 251 THR CB . 51606 1 112 . 1 . 1 36 36 THR N N 15 124.35 0.00 . . . . . . . 251 THR N . 51606 1 113 . 1 . 1 37 37 ALA H H 1 7.98 0.00 . . . . . . . 252 ALA HN . 51606 1 114 . 1 . 1 37 37 ALA CA C 13 52.53 0.00 . . . . . . . 252 ALA CA . 51606 1 115 . 1 . 1 37 37 ALA CB C 13 21.58 0.00 . . . . . . . 252 ALA CB . 51606 1 116 . 1 . 1 37 37 ALA N N 15 122.33 0.00 . . . . . . . 252 ALA N . 51606 1 117 . 1 . 1 38 38 ILE H H 1 8.91 0.00 . . . . . . . 253 ILE HN . 51606 1 118 . 1 . 1 38 38 ILE CA C 13 61.25 0.00 . . . . . . . 253 ILE CA . 51606 1 119 . 1 . 1 38 38 ILE CB C 13 39.83 0.00 . . . . . . . 253 ILE CB . 51606 1 120 . 1 . 1 38 38 ILE N N 15 119.15 0.00 . . . . . . . 253 ILE N . 51606 1 121 . 1 . 1 39 39 ASP H H 1 9.41 0.00 . . . . . . . 254 ASP HN . 51606 1 122 . 1 . 1 39 39 ASP CA C 13 52.26 0.00 . . . . . . . 254 ASP CA . 51606 1 123 . 1 . 1 39 39 ASP CB C 13 44.22 0.00 . . . . . . . 254 ASP CB . 51606 1 124 . 1 . 1 39 39 ASP N N 15 127.51 0.00 . . . . . . . 254 ASP N . 51606 1 125 . 1 . 1 41 41 ASP H H 1 8.98 0.00 . . . . . . . 256 ASP HN . 51606 1 126 . 1 . 1 41 41 ASP CA C 13 52.23 0.00 . . . . . . . 256 ASP CA . 51606 1 127 . 1 . 1 41 41 ASP CB C 13 39.39 0.00 . . . . . . . 256 ASP CB . 51606 1 128 . 1 . 1 41 41 ASP N N 15 127.52 0.00 . . . . . . . 256 ASP N . 51606 1 129 . 1 . 1 42 42 GLU H H 1 8.93 0.00 . . . . . . . 257 GLU HN . 51606 1 130 . 1 . 1 42 42 GLU CA C 13 59.35 0.00 . . . . . . . 257 GLU CA . 51606 1 131 . 1 . 1 42 42 GLU CB C 13 29.00 0.00 . . . . . . . 257 GLU CB . 51606 1 132 . 1 . 1 42 42 GLU N N 15 125.51 0.00 . . . . . . . 257 GLU N . 51606 1 133 . 1 . 1 43 43 ASP H H 1 8.52 0.00 . . . . . . . 258 ASP HN . 51606 1 134 . 1 . 1 43 43 ASP CA C 13 55.51 0.00 . . . . . . . 258 ASP CA . 51606 1 135 . 1 . 1 43 43 ASP CB C 13 39.49 0.00 . . . . . . . 258 ASP CB . 51606 1 136 . 1 . 1 43 43 ASP N N 15 116.34 0.00 . . . . . . . 258 ASP N . 51606 1 137 . 1 . 1 44 44 THR H H 1 7.18 0.00 . . . . . . . 259 THR HN . 51606 1 138 . 1 . 1 44 44 THR CA C 13 59.76 0.00 . . . . . . . 259 THR CA . 51606 1 139 . 1 . 1 44 44 THR CB C 13 69.48 0.00 . . . . . . . 259 THR CB . 51606 1 140 . 1 . 1 44 44 THR N N 15 105.27 0.00 . . . . . . . 259 THR N . 51606 1 141 . 1 . 1 45 45 CYS H H 1 7.91 0.00 . . . . . . . 260 CYS HN . 51606 1 142 . 1 . 1 45 45 CYS CA C 13 58.55 0.00 . . . . . . . 260 CYS CA . 51606 1 143 . 1 . 1 45 45 CYS CB C 13 37.87 0.00 . . . . . . . 260 CYS CB . 51606 1 144 . 1 . 1 45 45 CYS N N 15 117.67 0.00 . . . . . . . 260 CYS N . 51606 1 145 . 1 . 1 46 46 THR H H 1 7.24 0.00 . . . . . . . 261 THR HN . 51606 1 146 . 1 . 1 46 46 THR CA C 13 60.71 0.00 . . . . . . . 261 THR CA . 51606 1 147 . 1 . 1 46 46 THR CB C 13 69.16 0.00 . . . . . . . 261 THR CB . 51606 1 148 . 1 . 1 46 46 THR N N 15 110.19 0.00 . . . . . . . 261 THR N . 51606 1 149 . 1 . 1 47 47 PHE H H 1 8.55 0.00 . . . . . . . 262 PHE HN . 51606 1 150 . 1 . 1 47 47 PHE CA C 13 56.99 0.00 . . . . . . . 262 PHE CA . 51606 1 151 . 1 . 1 47 47 PHE CB C 13 40.91 0.00 . . . . . . . 262 PHE CB . 51606 1 152 . 1 . 1 47 47 PHE N N 15 125.69 0.00 . . . . . . . 262 PHE N . 51606 1 153 . 1 . 1 48 48 HIS H H 1 8.90 0.00 . . . . . . . 263 HIS HN . 51606 1 154 . 1 . 1 48 48 HIS CA C 13 53.82 0.00 . . . . . . . 263 HIS CA . 51606 1 155 . 1 . 1 48 48 HIS CB C 13 32.53 0.00 . . . . . . . 263 HIS CB . 51606 1 156 . 1 . 1 48 48 HIS N N 15 117.29 0.00 . . . . . . . 263 HIS N . 51606 1 157 . 1 . 1 49 49 ILE H H 1 9.26 0.00 . . . . . . . 264 ILE HN . 51606 1 158 . 1 . 1 49 49 ILE CA C 13 59.00 0.00 . . . . . . . 264 ILE CA . 51606 1 159 . 1 . 1 49 49 ILE CB C 13 38.17 0.00 . . . . . . . 264 ILE CB . 51606 1 160 . 1 . 1 49 49 ILE N N 15 121.78 0.00 . . . . . . . 264 ILE N . 51606 1 161 . 1 . 1 50 50 TYR H H 1 9.15 0.00 . . . . . . . 265 TYR HN . 51606 1 162 . 1 . 1 50 50 TYR CA C 13 54.63 0.00 . . . . . . . 265 TYR CA . 51606 1 163 . 1 . 1 50 50 TYR CB C 13 39.42 0.00 . . . . . . . 265 TYR CB . 51606 1 164 . 1 . 1 50 50 TYR N N 15 125.20 0.00 . . . . . . . 265 TYR N . 51606 1 165 . 1 . 1 51 51 GLY H H 1 8.94 0.00 . . . . . . . 266 GLY HN . 51606 1 166 . 1 . 1 51 51 GLY CA C 13 45.57 0.00 . . . . . . . 266 GLY CA . 51606 1 167 . 1 . 1 51 51 GLY N N 15 107.68 0.00 . . . . . . . 266 GLY N . 51606 1 168 . 1 . 1 52 52 GLU H H 1 8.80 0.00 . . . . . . . 267 GLU HN . 51606 1 169 . 1 . 1 52 52 GLU CA C 13 54.83 0.00 . . . . . . . 267 GLU CA . 51606 1 170 . 1 . 1 52 52 GLU CB C 13 29.76 0.00 . . . . . . . 267 GLU CB . 51606 1 171 . 1 . 1 52 52 GLU N N 15 115.57 0.00 . . . . . . . 267 GLU N . 51606 1 172 . 1 . 1 53 53 ASP H H 1 7.18 0.00 . . . . . . . 268 ASP HN . 51606 1 173 . 1 . 1 53 53 ASP CA C 13 52.59 0.00 . . . . . . . 268 ASP CA . 51606 1 174 . 1 . 1 53 53 ASP CB C 13 44.62 0.00 . . . . . . . 268 ASP CB . 51606 1 175 . 1 . 1 53 53 ASP N N 15 117.41 0.00 . . . . . . . 268 ASP N . 51606 1 176 . 1 . 1 54 54 GLN H H 1 8.51 0.00 . . . . . . . 269 GLN HN . 51606 1 177 . 1 . 1 54 54 GLN CA C 13 58.31 0.00 . . . . . . . 269 GLN CA . 51606 1 178 . 1 . 1 54 54 GLN CB C 13 27.66 0.00 . . . . . . . 269 GLN CB . 51606 1 179 . 1 . 1 54 54 GLN N N 15 126.01 0.00 . . . . . . . 269 GLN N . 51606 1 180 . 1 . 1 55 55 ASP H H 1 8.06 0.00 . . . . . . . 270 ASP HN . 51606 1 181 . 1 . 1 55 55 ASP CA C 13 56.72 0.00 . . . . . . . 270 ASP CA . 51606 1 182 . 1 . 1 55 55 ASP CB C 13 39.83 0.00 . . . . . . . 270 ASP CB . 51606 1 183 . 1 . 1 55 55 ASP N N 15 119.90 0.00 . . . . . . . 270 ASP N . 51606 1 184 . 1 . 1 56 56 ALA H H 1 8.29 0.00 . . . . . . . 271 ALA HN . 51606 1 185 . 1 . 1 56 56 ALA CA C 13 54.63 0.00 . . . . . . . 271 ALA CA . 51606 1 186 . 1 . 1 56 56 ALA CB C 13 19.08 0.00 . . . . . . . 271 ALA CB . 51606 1 187 . 1 . 1 56 56 ALA N N 15 124.89 0.00 . . . . . . . 271 ALA N . 51606 1 188 . 1 . 1 57 57 VAL H H 1 7.26 0.00 . . . . . . . 272 VAL HN . 51606 1 189 . 1 . 1 57 57 VAL CA C 13 65.44 0.00 . . . . . . . 272 VAL CA . 51606 1 190 . 1 . 1 57 57 VAL CB C 13 30.43 0.00 . . . . . . . 272 VAL CB . 51606 1 191 . 1 . 1 57 57 VAL N N 15 112.68 0.00 . . . . . . . 272 VAL N . 51606 1 192 . 1 . 1 58 58 LYS H H 1 8.20 0.00 . . . . . . . 273 LYS HN . 51606 1 193 . 1 . 1 58 58 LYS CA C 13 58.88 0.00 . . . . . . . 273 LYS CA . 51606 1 194 . 1 . 1 58 58 LYS CB C 13 31.38 0.00 . . . . . . . 273 LYS CB . 51606 1 195 . 1 . 1 58 58 LYS N N 15 122.80 0.00 . . . . . . . 273 LYS N . 51606 1 196 . 1 . 1 59 59 LYS H H 1 7.55 0.00 . . . . . . . 274 LYS HN . 51606 1 197 . 1 . 1 59 59 LYS CA C 13 58.41 0.00 . . . . . . . 274 LYS CA . 51606 1 198 . 1 . 1 59 59 LYS CB C 13 30.97 0.00 . . . . . . . 274 LYS CB . 51606 1 199 . 1 . 1 59 59 LYS N N 15 119.39 0.00 . . . . . . . 274 LYS N . 51606 1 200 . 1 . 1 60 60 ALA H H 1 8.23 0.00 . . . . . . . 275 ALA HN . 51606 1 201 . 1 . 1 60 60 ALA CA C 13 55.23 0.00 . . . . . . . 275 ALA CA . 51606 1 202 . 1 . 1 60 60 ALA CB C 13 18.67 0.00 . . . . . . . 275 ALA CB . 51606 1 203 . 1 . 1 60 60 ALA N N 15 121.60 0.00 . . . . . . . 275 ALA N . 51606 1 204 . 1 . 1 61 61 ARG H H 1 8.01 0.00 . . . . . . . 276 ARG HN . 51606 1 205 . 1 . 1 61 61 ARG CA C 13 58.95 0.00 . . . . . . . 276 ARG CA . 51606 1 206 . 1 . 1 61 61 ARG CB C 13 28.95 0.00 . . . . . . . 276 ARG CB . 51606 1 207 . 1 . 1 61 61 ARG N N 15 116.86 0.00 . . . . . . . 276 ARG N . 51606 1 208 . 1 . 1 62 62 SER H H 1 7.73 0.00 . . . . . . . 277 SER HN . 51606 1 209 . 1 . 1 62 62 SER CA C 13 59.67 0.00 . . . . . . . 277 SER CA . 51606 1 210 . 1 . 1 62 62 SER CB C 13 61.68 0.00 . . . . . . . 277 SER CB . 51606 1 211 . 1 . 1 62 62 SER N N 15 113.64 0.00 . . . . . . . 277 SER N . 51606 1 212 . 1 . 1 66 66 PHE H H 1 7.98 0.00 . . . . . . . 281 PHE HN . 51606 1 213 . 1 . 1 66 66 PHE CA C 13 58.28 0.00 . . . . . . . 281 PHE CA . 51606 1 214 . 1 . 1 66 66 PHE CB C 13 41.59 0.00 . . . . . . . 281 PHE CB . 51606 1 215 . 1 . 1 66 66 PHE N N 15 126.70 0.00 . . . . . . . 281 PHE N . 51606 1 216 . 1 . 1 67 67 ALA H H 1 9.08 0.00 . . . . . . . 282 ALA HN . 51606 1 217 . 1 . 1 67 67 ALA CA C 13 50.24 0.00 . . . . . . . 282 ALA CA . 51606 1 218 . 1 . 1 67 67 ALA CB C 13 21.78 0.00 . . . . . . . 282 ALA CB . 51606 1 219 . 1 . 1 67 67 ALA N N 15 123.78 0.00 . . . . . . . 282 ALA N . 51606 1 220 . 1 . 1 68 68 GLU H H 1 7.88 0.00 . . . . . . . 283 GLU HN . 51606 1 221 . 1 . 1 68 68 GLU CA C 13 53.31 0.00 . . . . . . . 283 GLU CA . 51606 1 222 . 1 . 1 68 68 GLU CB C 13 31.72 0.00 . . . . . . . 283 GLU CB . 51606 1 223 . 1 . 1 68 68 GLU N N 15 117.57 0.00 . . . . . . . 283 GLU N . 51606 1 224 . 1 . 1 70 70 VAL H H 1 8.57 0.00 . . . . . . . 285 VAL HN . 51606 1 225 . 1 . 1 70 70 VAL CA C 13 59.90 0.00 . . . . . . . 285 VAL CA . 51606 1 226 . 1 . 1 70 70 VAL CB C 13 32.40 0.00 . . . . . . . 285 VAL CB . 51606 1 227 . 1 . 1 70 70 VAL N N 15 121.64 0.00 . . . . . . . 285 VAL N . 51606 1 228 . 1 . 1 71 71 ILE H H 1 9.43 0.00 . . . . . . . 286 ILE HN . 51606 1 229 . 1 . 1 71 71 ILE CB C 13 38.68 0.00 . . . . . . . 286 ILE CB . 51606 1 230 . 1 . 1 71 71 ILE N N 15 129.88 0.00 . . . . . . . 286 ILE N . 51606 1 231 . 1 . 1 72 72 GLN H H 1 8.58 0.00 . . . . . . . 287 GLN HN . 51606 1 232 . 1 . 1 72 72 GLN CA C 13 53.73 0.00 . . . . . . . 287 GLN CA . 51606 1 233 . 1 . 1 72 72 GLN CB C 13 26.44 0.00 . . . . . . . 287 GLN CB . 51606 1 234 . 1 . 1 72 72 GLN N N 15 125.57 0.00 . . . . . . . 287 GLN N . 51606 1 235 . 1 . 1 73 73 VAL H H 1 8.79 0.00 . . . . . . . 288 VAL HN . 51606 1 236 . 1 . 1 73 73 VAL CA C 13 57.81 0.00 . . . . . . . 288 VAL CA . 51606 1 237 . 1 . 1 73 73 VAL CB C 13 33.47 0.00 . . . . . . . 288 VAL CB . 51606 1 238 . 1 . 1 73 73 VAL N N 15 126.52 0.00 . . . . . . . 288 VAL N . 51606 1 239 . 1 . 1 97 97 GLY H H 1 7.83 0.00 . . . . . . . 312 GLY HN . 51606 1 240 . 1 . 1 97 97 GLY CA C 13 44.56 0.00 . . . . . . . 312 GLY CA . 51606 1 241 . 1 . 1 97 97 GLY N N 15 108.51 0.00 . . . . . . . 312 GLY N . 51606 1 242 . 1 . 1 98 98 VAL H H 1 7.56 0.00 . . . . . . . 313 VAL HN . 51606 1 243 . 1 . 1 98 98 VAL CA C 13 61.59 0.00 . . . . . . . 313 VAL CA . 51606 1 244 . 1 . 1 98 98 VAL CB C 13 30.10 0.00 . . . . . . . 313 VAL CB . 51606 1 245 . 1 . 1 98 98 VAL N N 15 115.19 0.00 . . . . . . . 313 VAL N . 51606 1 246 . 1 . 1 101 101 VAL H H 1 8.34 0.00 . . . . . . . 316 VAL HN . 51606 1 247 . 1 . 1 101 101 VAL CA C 13 58.28 0.00 . . . . . . . 316 VAL CA . 51606 1 248 . 1 . 1 101 101 VAL CB C 13 33.41 0.00 . . . . . . . 316 VAL CB . 51606 1 249 . 1 . 1 101 101 VAL N N 15 119.86 0.00 . . . . . . . 316 VAL N . 51606 1 250 . 1 . 1 102 102 ARG H H 1 8.84 0.00 . . . . . . . 317 ARG HN . 51606 1 251 . 1 . 1 102 102 ARG CA C 13 53.55 0.00 . . . . . . . 317 ARG CA . 51606 1 252 . 1 . 1 102 102 ARG CB C 13 31.65 0.00 . . . . . . . 317 ARG CB . 51606 1 253 . 1 . 1 102 102 ARG N N 15 126.66 0.00 . . . . . . . 317 ARG N . 51606 1 254 . 1 . 1 103 103 ILE H H 1 8.48 0.00 . . . . . . . 318 ILE HN . 51606 1 255 . 1 . 1 103 103 ILE CA C 13 59.77 0.00 . . . . . . . 318 ILE CA . 51606 1 256 . 1 . 1 103 103 ILE CB C 13 36.86 0.00 . . . . . . . 318 ILE CB . 51606 1 257 . 1 . 1 103 103 ILE N N 15 125.22 0.00 . . . . . . . 318 ILE N . 51606 1 258 . 1 . 1 104 104 GLU H H 1 8.22 0.00 . . . . . . . 319 GLU HN . 51606 1 259 . 1 . 1 104 104 GLU CA C 13 54.74 0.00 . . . . . . . 319 GLU CA . 51606 1 260 . 1 . 1 104 104 GLU CB C 13 27.87 0.00 . . . . . . . 319 GLU CB . 51606 1 261 . 1 . 1 104 104 GLU N N 15 128.07 0.00 . . . . . . . 319 GLU N . 51606 1 262 . 1 . 1 105 105 ALA H H 1 8.16 0.00 . . . . . . . 320 ALA HN . 51606 1 263 . 1 . 1 105 105 ALA CA C 13 51.25 0.00 . . . . . . . 320 ALA CA . 51606 1 264 . 1 . 1 105 105 ALA CB C 13 18.14 0.00 . . . . . . . 320 ALA CB . 51606 1 265 . 1 . 1 105 105 ALA N N 15 124.31 0.00 . . . . . . . 320 ALA N . 51606 1 266 . 1 . 1 106 106 GLU H H 1 8.55 0.00 . . . . . . . 321 GLU HN . 51606 1 267 . 1 . 1 106 106 GLU CA C 13 55.71 0.00 . . . . . . . 321 GLU CA . 51606 1 268 . 1 . 1 106 106 GLU CB C 13 28.68 0.00 . . . . . . . 321 GLU CB . 51606 1 269 . 1 . 1 106 106 GLU N N 15 119.34 0.00 . . . . . . . 321 GLU N . 51606 1 270 . 1 . 1 107 107 ASN H H 1 8.43 0.00 . . . . . . . 322 ASN HN . 51606 1 271 . 1 . 1 107 107 ASN CA C 13 52.40 0.00 . . . . . . . 322 ASN CA . 51606 1 272 . 1 . 1 107 107 ASN CB C 13 37.46 0.00 . . . . . . . 322 ASN CB . 51606 1 273 . 1 . 1 107 107 ASN N N 15 118.27 0.00 . . . . . . . 322 ASN N . 51606 1 274 . 1 . 1 108 108 GLU H H 1 8.36 0.00 . . . . . . . 323 GLU HN . 51606 1 275 . 1 . 1 108 108 GLU CA C 13 55.95 0.00 . . . . . . . 323 GLU CA . 51606 1 276 . 1 . 1 108 108 GLU CB C 13 28.66 0.00 . . . . . . . 323 GLU CB . 51606 1 277 . 1 . 1 108 108 GLU N N 15 121.34 0.00 . . . . . . . 323 GLU N . 51606 1 278 . 1 . 1 109 109 LYS H H 1 8.33 0.00 . . . . . . . 324 LYS HN . 51606 1 279 . 1 . 1 109 109 LYS CA C 13 55.37 0.00 . . . . . . . 324 LYS CA . 51606 1 280 . 1 . 1 109 109 LYS CB C 13 30.91 0.00 . . . . . . . 324 LYS CB . 51606 1 281 . 1 . 1 109 109 LYS N N 15 120.38 0.00 . . . . . . . 324 LYS N . 51606 1 282 . 1 . 1 110 110 ASN H H 1 8.50 0.00 . . . . . . . 325 ASN HN . 51606 1 283 . 1 . 1 110 110 ASN CA C 13 52.78 0.00 . . . . . . . 325 ASN CA . 51606 1 284 . 1 . 1 110 110 ASN CB C 13 37.40 0.00 . . . . . . . 325 ASN CB . 51606 1 285 . 1 . 1 110 110 ASN N N 15 117.64 0.00 . . . . . . . 325 ASN N . 51606 1 286 . 1 . 1 111 111 VAL H H 1 7.78 0.00 . . . . . . . 326 VAL HN . 51606 1 287 . 1 . 1 111 111 VAL CA C 13 58.35 0.00 . . . . . . . 326 VAL CA . 51606 1 288 . 1 . 1 111 111 VAL CB C 13 31.24 0.00 . . . . . . . 326 VAL CB . 51606 1 289 . 1 . 1 111 111 VAL N N 15 119.25 0.00 . . . . . . . 326 VAL N . 51606 1 290 . 1 . 1 113 113 GLN H H 1 8.28 0.00 . . . . . . . 328 GLN HN . 51606 1 291 . 1 . 1 113 113 GLN CA C 13 53.94 0.00 . . . . . . . 328 GLN CA . 51606 1 292 . 1 . 1 113 113 GLN CB C 13 28.80 0.00 . . . . . . . 328 GLN CB . 51606 1 293 . 1 . 1 113 113 GLN N N 15 120.03 0.00 . . . . . . . 328 GLN N . 51606 1 294 . 1 . 1 114 114 GLU H H 1 8.83 0.00 . . . . . . . 329 GLU HN . 51606 1 295 . 1 . 1 114 114 GLU CA C 13 54.63 0.00 . . . . . . . 329 GLU CA . 51606 1 296 . 1 . 1 114 114 GLU CB C 13 29.77 0.00 . . . . . . . 329 GLU CB . 51606 1 297 . 1 . 1 114 114 GLU N N 15 122.85 0.00 . . . . . . . 329 GLU N . 51606 1 298 . 1 . 1 115 115 GLU H H 1 8.52 0.00 . . . . . . . 330 GLU HN . 51606 1 299 . 1 . 1 115 115 GLU CA C 13 56.44 0.00 . . . . . . . 330 GLU CA . 51606 1 300 . 1 . 1 115 115 GLU CB C 13 28.24 0.00 . . . . . . . 330 GLU CB . 51606 1 301 . 1 . 1 115 115 GLU N N 15 123.38 0.00 . . . . . . . 330 GLU N . 51606 1 302 . 1 . 1 116 116 GLY H H 1 8.76 0.00 . . . . . . . 331 GLY HN . 51606 1 303 . 1 . 1 116 116 GLY CA C 13 44.49 0.00 . . . . . . . 331 GLY CA . 51606 1 304 . 1 . 1 116 116 GLY N N 15 111.18 0.00 . . . . . . . 331 GLY N . 51606 1 305 . 1 . 1 117 117 MET H H 1 8.11 0.00 . . . . . . . 332 MET HN . 51606 1 306 . 1 . 1 117 117 MET CA C 13 52.21 0.00 . . . . . . . 332 MET CA . 51606 1 307 . 1 . 1 117 117 MET CB C 13 34.42 0.00 . . . . . . . 332 MET CB . 51606 1 308 . 1 . 1 117 117 MET N N 15 119.04 0.00 . . . . . . . 332 MET N . 51606 1 309 . 1 . 1 118 118 VAL H H 1 9.68 0.00 . . . . . . . 333 VAL HN . 51606 1 310 . 1 . 1 118 118 VAL CA C 13 57.81 0.00 . . . . . . . 333 VAL CA . 51606 1 311 . 1 . 1 118 118 VAL CB C 13 33.41 0.00 . . . . . . . 333 VAL CB . 51606 1 312 . 1 . 1 118 118 VAL N N 15 124.31 0.00 . . . . . . . 333 VAL N . 51606 1 313 . 1 . 1 120 120 PHE H H 1 9.40 0.00 . . . . . . . 335 PHE HN . 51606 1 314 . 1 . 1 120 120 PHE CA C 13 54.97 0.00 . . . . . . . 335 PHE CA . 51606 1 315 . 1 . 1 120 120 PHE CB C 13 38.41 0.00 . . . . . . . 335 PHE CB . 51606 1 316 . 1 . 1 120 120 PHE N N 15 127.15 0.00 . . . . . . . 335 PHE N . 51606 1 317 . 1 . 1 121 121 VAL H H 1 8.93 0.00 . . . . . . . 336 VAL HN . 51606 1 318 . 1 . 1 121 121 VAL CA C 13 60.31 0.00 . . . . . . . 336 VAL CA . 51606 1 319 . 1 . 1 121 121 VAL CB C 13 30.91 0.00 . . . . . . . 336 VAL CB . 51606 1 320 . 1 . 1 121 121 VAL N N 15 122.56 0.00 . . . . . . . 336 VAL N . 51606 1 321 . 1 . 1 122 122 PHE H H 1 9.35 0.00 . . . . . . . 337 PHE HN . 51606 1 322 . 1 . 1 122 122 PHE CA C 13 56.86 0.00 . . . . . . . 337 PHE CA . 51606 1 323 . 1 . 1 122 122 PHE CB C 13 42.93 0.00 . . . . . . . 337 PHE CB . 51606 1 324 . 1 . 1 122 122 PHE N N 15 126.64 0.00 . . . . . . . 337 PHE N . 51606 1 325 . 1 . 1 123 123 VAL H H 1 8.37 0.00 . . . . . . . 338 VAL HN . 51606 1 326 . 1 . 1 123 123 VAL CA C 13 59.56 0.00 . . . . . . . 338 VAL CA . 51606 1 327 . 1 . 1 123 123 VAL CB C 13 33.21 0.00 . . . . . . . 338 VAL CB . 51606 1 328 . 1 . 1 123 123 VAL N N 15 118.68 0.00 . . . . . . . 338 VAL N . 51606 1 329 . 1 . 1 124 124 GLY H H 1 8.76 0.00 . . . . . . . 339 GLY HN . 51606 1 330 . 1 . 1 124 124 GLY CA C 13 44.49 0.00 . . . . . . . 339 GLY CA . 51606 1 331 . 1 . 1 124 124 GLY N N 15 113.01 0.00 . . . . . . . 339 GLY N . 51606 1 332 . 1 . 1 125 125 THR H H 1 8.64 0.00 . . . . . . . 340 THR HN . 51606 1 333 . 1 . 1 125 125 THR CA C 13 60.71 0.00 . . . . . . . 340 THR CA . 51606 1 334 . 1 . 1 125 125 THR CB C 13 68.15 0.00 . . . . . . . 340 THR CB . 51606 1 335 . 1 . 1 125 125 THR N N 15 112.05 0.00 . . . . . . . 340 THR N . 51606 1 336 . 1 . 1 126 126 LYS H H 1 8.27 0.00 . . . . . . . 341 LYS HN . 51606 1 337 . 1 . 1 126 126 LYS CA C 13 59.22 0.00 . . . . . . . 341 LYS CA . 51606 1 338 . 1 . 1 126 126 LYS CB C 13 30.33 0.00 . . . . . . . 341 LYS CB . 51606 1 339 . 1 . 1 126 126 LYS N N 15 122.98 0.00 . . . . . . . 341 LYS N . 51606 1 340 . 1 . 1 127 127 ASP H H 1 9.34 0.00 . . . . . . . 342 ASP HN . 51606 1 341 . 1 . 1 127 127 ASP CA C 13 56.32 0.00 . . . . . . . 342 ASP CA . 51606 1 342 . 1 . 1 127 127 ASP CB C 13 38.68 0.00 . . . . . . . 342 ASP CB . 51606 1 343 . 1 . 1 127 127 ASP N N 15 120.10 0.00 . . . . . . . 342 ASP N . 51606 1 344 . 1 . 1 132 132 ALA H H 1 8.59 0.00 . . . . . . . 347 ALA HN . 51606 1 345 . 1 . 1 132 132 ALA CA C 13 54.62 0.00 . . . . . . . 347 ALA CA . 51606 1 346 . 1 . 1 132 132 ALA CB C 13 16.09 0.00 . . . . . . . 347 ALA CB . 51606 1 347 . 1 . 1 132 132 ALA N N 15 123.44 0.00 . . . . . . . 347 ALA N . 51606 1 348 . 1 . 1 133 133 THR H H 1 8.19 0.00 . . . . . . . 348 THR HN . 51606 1 349 . 1 . 1 133 133 THR CA C 13 66.05 0.00 . . . . . . . 348 THR CA . 51606 1 350 . 1 . 1 133 133 THR CB C 13 67.53 0.00 . . . . . . . 348 THR CB . 51606 1 351 . 1 . 1 133 133 THR N N 15 112.89 0.00 . . . . . . . 348 THR N . 51606 1 352 . 1 . 1 134 134 VAL H H 1 7.36 0.00 . . . . . . . 349 VAL HN . 51606 1 353 . 1 . 1 134 134 VAL CA C 13 64.98 0.00 . . . . . . . 349 VAL CA . 51606 1 354 . 1 . 1 134 134 VAL CB C 13 30.39 0.00 . . . . . . . 349 VAL CB . 51606 1 355 . 1 . 1 134 134 VAL N N 15 122.31 0.00 . . . . . . . 349 VAL N . 51606 1 356 . 1 . 1 135 135 LEU H H 1 7.77 0.00 . . . . . . . 350 LEU HN . 51606 1 357 . 1 . 1 135 135 LEU CA C 13 56.79 0.00 . . . . . . . 350 LEU CA . 51606 1 358 . 1 . 1 135 135 LEU CB C 13 41.32 0.00 . . . . . . . 350 LEU CB . 51606 1 359 . 1 . 1 135 135 LEU N N 15 120.49 0.00 . . . . . . . 350 LEU N . 51606 1 360 . 1 . 1 136 136 LEU H H 1 8.77 0.00 . . . . . . . 351 LEU HN . 51606 1 361 . 1 . 1 136 136 LEU CA C 13 57.67 0.00 . . . . . . . 351 LEU CA . 51606 1 362 . 1 . 1 136 136 LEU CB C 13 40.44 0.00 . . . . . . . 351 LEU CB . 51606 1 363 . 1 . 1 136 136 LEU N N 15 121.03 0.00 . . . . . . . 351 LEU N . 51606 1 stop_ save_