data_50478 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50478 _Entry.Title ; Human growth hormone receptor intracellular domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-09-23 _Entry.Accession_date 2020-09-23 _Entry.Last_release_date 2020-09-23 _Entry.Original_release_date 2020-09-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; residues 270-370 of the intracellular domain of the human growth hormone receptor constituting the membrane proximal 100 residues ; _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 Birthe Kragelund . B. . 0000-0003-4213-5336 50478 2 Louise Nikolajsen . . . . 50478 3 Gitte Haxholm . W. . . 50478 4 Pernille Seiffert . . . . 50478 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50478 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 289 50478 '15N chemical shifts' 93 50478 '1H chemical shifts' 93 50478 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 . . 2020-10-23 . original BMRB . 50478 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50478 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 25846210 _Citation.DOI 10.1042/BJ20141243 _Citation.Full_citation . _Citation.Title ; Intrinsically disordered cytoplasmic domains of two cytokine receptors mediate conserved interactions with membranes. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical journal' _Citation.Journal_volume 468 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1470-8728 _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 495 _Citation.Page_last 506 _Citation.Year 2015 _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 Gitte Haxholm G. W. . . 50478 1 2 Louise Nikolajsen L. F. . . 50478 1 3 Johan Olsen J. G. . . 50478 1 4 Jacob Fredsted J. . . . 50478 1 5 Flemming Larsen F. H. . . 50478 1 6 Vincent Goffin V. . . . 50478 1 7 Stine Pedersen S. F. . . 50478 1 8 Andrew Brooks A. J. . . 50478 1 9 Michael Waters M. J. . . 50478 1 10 Birthe Kragelund B. B. . . 50478 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50478 _Assembly.ID 1 _Assembly.Name GHR-ICD270-370 _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 GHR-ICD270-370 1 $entity_1 . . yes native no no . . . 50478 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50478 _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 ; GSSKQQRIKMLILPPVPVPK IKGIDPDLLKEGKLEEVNTI LAIHDSYKPEFHSDDSWVEF IELDIDEPDEKTEESDTDRL LSSDHEKSHSNLGVKDGDSG RTS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq G268-S370 _Entity.Polymer_author_seq_details ; Residues 270 - 370 of the long isoform of GHR includes two non-native residues as remnants from cloning (G268 and S269). ; _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 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment GHR-ICD270-370 _Entity.Mutation none _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P10912-1 . GHR . . . . . . . . . . . . . . 50478 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Receptor for growth hormone involved in e.g. regulating postnatal body growth. On ligand binding, couples to the JAK2/STAT5 pathway ; 50478 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 1 268 GLY . 50478 1 2 269 SER . 50478 1 3 270 SER . 50478 1 4 271 LYS . 50478 1 5 272 GLN . 50478 1 6 273 GLN . 50478 1 7 274 ARG . 50478 1 8 275 ILE . 50478 1 9 276 LYS . 50478 1 10 277 MET . 50478 1 11 278 LEU . 50478 1 12 279 ILE . 50478 1 13 280 LEU . 50478 1 14 281 PRO . 50478 1 15 282 PRO . 50478 1 16 283 VAL . 50478 1 17 284 PRO . 50478 1 18 285 VAL . 50478 1 19 286 PRO . 50478 1 20 287 LYS . 50478 1 21 288 ILE . 50478 1 22 289 LYS . 50478 1 23 290 GLY . 50478 1 24 291 ILE . 50478 1 25 292 ASP . 50478 1 26 293 PRO . 50478 1 27 294 ASP . 50478 1 28 295 LEU . 50478 1 29 296 LEU . 50478 1 30 297 LYS . 50478 1 31 298 GLU . 50478 1 32 299 GLY . 50478 1 33 300 LYS . 50478 1 34 301 LEU . 50478 1 35 302 GLU . 50478 1 36 303 GLU . 50478 1 37 304 VAL . 50478 1 38 305 ASN . 50478 1 39 306 THR . 50478 1 40 307 ILE . 50478 1 41 308 LEU . 50478 1 42 309 ALA . 50478 1 43 310 ILE . 50478 1 44 311 HIS . 50478 1 45 312 ASP . 50478 1 46 313 SER . 50478 1 47 314 TYR . 50478 1 48 315 LYS . 50478 1 49 316 PRO . 50478 1 50 317 GLU . 50478 1 51 318 PHE . 50478 1 52 319 HIS . 50478 1 53 320 SER . 50478 1 54 321 ASP . 50478 1 55 322 ASP . 50478 1 56 323 SER . 50478 1 57 324 TRP . 50478 1 58 325 VAL . 50478 1 59 326 GLU . 50478 1 60 327 PHE . 50478 1 61 328 ILE . 50478 1 62 329 GLU . 50478 1 63 330 LEU . 50478 1 64 331 ASP . 50478 1 65 332 ILE . 50478 1 66 333 ASP . 50478 1 67 334 GLU . 50478 1 68 335 PRO . 50478 1 69 336 ASP . 50478 1 70 337 GLU . 50478 1 71 338 LYS . 50478 1 72 339 THR . 50478 1 73 340 GLU . 50478 1 74 341 GLU . 50478 1 75 342 SER . 50478 1 76 343 ASP . 50478 1 77 344 THR . 50478 1 78 345 ASP . 50478 1 79 346 ARG . 50478 1 80 347 LEU . 50478 1 81 348 LEU . 50478 1 82 349 SER . 50478 1 83 350 SER . 50478 1 84 351 ASP . 50478 1 85 352 HIS . 50478 1 86 353 GLU . 50478 1 87 354 LYS . 50478 1 88 355 SER . 50478 1 89 356 HIS . 50478 1 90 357 SER . 50478 1 91 358 ASN . 50478 1 92 359 LEU . 50478 1 93 360 GLY . 50478 1 94 361 VAL . 50478 1 95 362 LYS . 50478 1 96 363 ASP . 50478 1 97 364 GLY . 50478 1 98 365 ASP . 50478 1 99 366 SER . 50478 1 100 367 GLY . 50478 1 101 368 ARG . 50478 1 102 369 THR . 50478 1 103 370 SER . 50478 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 50478 1 . SER 2 2 50478 1 . SER 3 3 50478 1 . LYS 4 4 50478 1 . GLN 5 5 50478 1 . GLN 6 6 50478 1 . ARG 7 7 50478 1 . ILE 8 8 50478 1 . LYS 9 9 50478 1 . MET 10 10 50478 1 . LEU 11 11 50478 1 . ILE 12 12 50478 1 . LEU 13 13 50478 1 . PRO 14 14 50478 1 . PRO 15 15 50478 1 . VAL 16 16 50478 1 . PRO 17 17 50478 1 . VAL 18 18 50478 1 . PRO 19 19 50478 1 . LYS 20 20 50478 1 . ILE 21 21 50478 1 . LYS 22 22 50478 1 . GLY 23 23 50478 1 . ILE 24 24 50478 1 . ASP 25 25 50478 1 . PRO 26 26 50478 1 . ASP 27 27 50478 1 . LEU 28 28 50478 1 . LEU 29 29 50478 1 . LYS 30 30 50478 1 . GLU 31 31 50478 1 . GLY 32 32 50478 1 . LYS 33 33 50478 1 . LEU 34 34 50478 1 . GLU 35 35 50478 1 . GLU 36 36 50478 1 . VAL 37 37 50478 1 . ASN 38 38 50478 1 . THR 39 39 50478 1 . ILE 40 40 50478 1 . LEU 41 41 50478 1 . ALA 42 42 50478 1 . ILE 43 43 50478 1 . HIS 44 44 50478 1 . ASP 45 45 50478 1 . SER 46 46 50478 1 . TYR 47 47 50478 1 . LYS 48 48 50478 1 . PRO 49 49 50478 1 . GLU 50 50 50478 1 . PHE 51 51 50478 1 . HIS 52 52 50478 1 . SER 53 53 50478 1 . ASP 54 54 50478 1 . ASP 55 55 50478 1 . SER 56 56 50478 1 . TRP 57 57 50478 1 . VAL 58 58 50478 1 . GLU 59 59 50478 1 . PHE 60 60 50478 1 . ILE 61 61 50478 1 . GLU 62 62 50478 1 . LEU 63 63 50478 1 . ASP 64 64 50478 1 . ILE 65 65 50478 1 . ASP 66 66 50478 1 . GLU 67 67 50478 1 . PRO 68 68 50478 1 . ASP 69 69 50478 1 . GLU 70 70 50478 1 . LYS 71 71 50478 1 . THR 72 72 50478 1 . GLU 73 73 50478 1 . GLU 74 74 50478 1 . SER 75 75 50478 1 . ASP 76 76 50478 1 . THR 77 77 50478 1 . ASP 78 78 50478 1 . ARG 79 79 50478 1 . LEU 80 80 50478 1 . LEU 81 81 50478 1 . SER 82 82 50478 1 . SER 83 83 50478 1 . ASP 84 84 50478 1 . HIS 85 85 50478 1 . GLU 86 86 50478 1 . LYS 87 87 50478 1 . SER 88 88 50478 1 . HIS 89 89 50478 1 . SER 90 90 50478 1 . ASN 91 91 50478 1 . LEU 92 92 50478 1 . GLY 93 93 50478 1 . VAL 94 94 50478 1 . LYS 95 95 50478 1 . ASP 96 96 50478 1 . GLY 97 97 50478 1 . ASP 98 98 50478 1 . SER 99 99 50478 1 . GLY 100 100 50478 1 . ARG 101 101 50478 1 . THR 102 102 50478 1 . SER 103 103 50478 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 50478 _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 . . . . . . . . . . . . . 50478 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 50478 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21(DE3) . . plasmid . . pGEX-6P-1 . . . 50478 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50478 _Sample.ID 1 _Sample.Name GHR-ICD270-370 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20 mM Na2HPO4/NaH2PO4, 10% (v/v) 2H2O, 5-8 mM tris(2-carboxyethyl)phosphine (TCEP) and 0.5 mM 2,2-dimethyl-2-silapentane-5-sulfonic acid (DSS), pH 7.3. ; _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 'Human growth hormone receptor intracellular domain 270-370' '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . . 500 . . mM . . . . 50478 1 2 Na2HPO4/NaH2PO4 'natural abundance' . . . . . . 20 . . mM . . . . 50478 1 3 'tris(2-carboxyethyl)phosphine (TCEP)' 'natural abundance' . . . . . . 6.5 5 8 mM . . . . 50478 1 4 '2,2-dimethyl-2-silapentane-5-sulfonic acid (DSS)' 'natural abundance' . . . . . . 0.5 . . mM . . . . 50478 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 50478 _Sample_condition_list.ID 1 _Sample_condition_list.Name GHR-ICD270-370 _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' 20 . mM 50478 1 pH 7.3 . pH 50478 1 pressure 1 . atm 50478 1 temperature 278 . K 50478 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50478 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . analyses 50478 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50478 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'transformation and visualization' 50478 2 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 50478 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name varian _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50478 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name Varian _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50478 _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 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 50478 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 50478 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 50478 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50478 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50478 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50478 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 50478 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name GHRICDmp_shiftlist _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect . . . . . . 50478 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 50478 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect . . . . . . 50478 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 50478 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name GHRICD270-370 _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 CBCA(CO)NH' . . . 50478 1 2 '3D HNCA' . . . 50478 1 3 '3D HN(CO)CA' . . . 50478 1 4 '3D HNCACB' . . . 50478 1 5 '3D HNCO' . . . 50478 1 6 '2D 1H-15N HSQC' . . . 50478 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 . . 50478 1 2 $software_2 . . 50478 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 2 2 SER H H 1 8.286 0.000 . 1 . . . . . 269 SER H . 50478 1 2 . 1 . 1 2 2 SER C C 13 175.096 0.000 . 1 . . . . . 269 SER C . 50478 1 3 . 1 . 1 2 2 SER CA C 13 58.556 0.000 . 1 . . . . . 269 SER CA . 50478 1 4 . 1 . 1 2 2 SER CB C 13 63.696 0.000 . 1 . . . . . 269 SER CB . 50478 1 5 . 1 . 1 2 2 SER N N 15 116.184 0.000 . 1 . . . . . 269 SER N . 50478 1 6 . 1 . 1 3 3 SER H H 1 8.465 0.000 . 1 . . . . . 270 SER H . 50478 1 7 . 1 . 1 3 3 SER C C 13 174.874 0.000 . 1 . . . . . 270 SER C . 50478 1 8 . 1 . 1 3 3 SER CA C 13 58.545 0.000 . 1 . . . . . 270 SER CA . 50478 1 9 . 1 . 1 3 3 SER CB C 13 63.750 0.000 . 1 . . . . . 270 SER CB . 50478 1 10 . 1 . 1 3 3 SER N N 15 117.977 0.000 . 1 . . . . . 270 SER N . 50478 1 11 . 1 . 1 4 4 LYS H H 1 8.534 0.008 . 1 . . . . . 271 LYS H . 50478 1 12 . 1 . 1 4 4 LYS C C 13 176.866 0.000 . 1 . . . . . 271 LYS C . 50478 1 13 . 1 . 1 4 4 LYS CA C 13 56.851 0.000 . 1 . . . . . 271 LYS CA . 50478 1 14 . 1 . 1 4 4 LYS CB C 13 32.826 0.000 . 1 . . . . . 271 LYS CB . 50478 1 15 . 1 . 1 4 4 LYS N N 15 123.537 0.033 . 1 . . . . . 271 LYS N . 50478 1 16 . 1 . 1 5 5 GLN H H 1 8.401 0.004 . 1 . . . . . 272 GLN H . 50478 1 17 . 1 . 1 5 5 GLN C C 13 176.174 0.000 . 1 . . . . . 272 GLN C . 50478 1 18 . 1 . 1 5 5 GLN CA C 13 56.129 0.000 . 1 . . . . . 272 GLN CA . 50478 1 19 . 1 . 1 5 5 GLN CB C 13 29.415 0.000 . 1 . . . . . 272 GLN CB . 50478 1 20 . 1 . 1 5 5 GLN N N 15 121.076 0.076 . 1 . . . . . 272 GLN N . 50478 1 21 . 1 . 1 6 6 GLN H H 1 8.454 0.000 . 1 . . . . . 273 GLN H . 50478 1 22 . 1 . 1 6 6 GLN C C 13 176.031 0.000 . 1 . . . . . 273 GLN C . 50478 1 23 . 1 . 1 6 6 GLN CA C 13 56.327 0.000 . 1 . . . . . 273 GLN CA . 50478 1 24 . 1 . 1 6 6 GLN CB C 13 29.873 0.000 . 1 . . . . . 273 GLN CB . 50478 1 25 . 1 . 1 6 6 GLN N N 15 121.903 0.000 . 1 . . . . . 273 GLN N . 50478 1 26 . 1 . 1 7 7 ARG H H 1 8.462 0.003 . 1 . . . . . 274 ARG H . 50478 1 27 . 1 . 1 7 7 ARG C C 13 176.431 0.000 . 1 . . . . . 274 ARG C . 50478 1 28 . 1 . 1 7 7 ARG CA C 13 56.403 0.000 . 1 . . . . . 274 ARG CA . 50478 1 29 . 1 . 1 7 7 ARG CB C 13 30.724 0.000 . 1 . . . . . 274 ARG CB . 50478 1 30 . 1 . 1 7 7 ARG N N 15 122.770 0.011 . 1 . . . . . 274 ARG N . 50478 1 31 . 1 . 1 8 8 ILE H H 1 8.287 0.000 . 1 . . . . . 275 ILE H . 50478 1 32 . 1 . 1 8 8 ILE C C 13 176.211 0.000 . 1 . . . . . 275 ILE C . 50478 1 33 . 1 . 1 8 8 ILE CA C 13 61.250 0.000 . 1 . . . . . 275 ILE CA . 50478 1 34 . 1 . 1 8 8 ILE CB C 13 38.828 0.000 . 1 . . . . . 275 ILE CB . 50478 1 35 . 1 . 1 8 8 ILE N N 15 122.354 0.000 . 1 . . . . . 275 ILE N . 50478 1 36 . 1 . 1 9 9 LYS H H 1 8.396 0.002 . 1 . . . . . 276 LYS H . 50478 1 37 . 1 . 1 9 9 LYS C C 13 176.275 0.000 . 1 . . . . . 276 LYS C . 50478 1 38 . 1 . 1 9 9 LYS CA C 13 56.386 0.000 . 1 . . . . . 276 LYS CA . 50478 1 39 . 1 . 1 9 9 LYS CB C 13 33.072 0.000 . 1 . . . . . 276 LYS CB . 50478 1 40 . 1 . 1 9 9 LYS N N 15 125.719 0.074 . 1 . . . . . 276 LYS N . 50478 1 41 . 1 . 1 10 10 MET H H 1 8.372 0.002 . 1 . . . . . 277 MET H . 50478 1 42 . 1 . 1 10 10 MET C C 13 175.669 0.000 . 1 . . . . . 277 MET C . 50478 1 43 . 1 . 1 10 10 MET CA C 13 55.232 0.000 . 1 . . . . . 277 MET CA . 50478 1 44 . 1 . 1 10 10 MET CB C 13 33.093 0.000 . 1 . . . . . 277 MET CB . 50478 1 45 . 1 . 1 10 10 MET N N 15 122.375 0.067 . 1 . . . . . 277 MET N . 50478 1 46 . 1 . 1 11 11 LEU H H 1 8.295 0.002 . 1 . . . . . 278 LEU H . 50478 1 47 . 1 . 1 11 11 LEU C C 13 176.633 0.000 . 1 . . . . . 278 LEU C . 50478 1 48 . 1 . 1 11 11 LEU CA C 13 55.111 0.000 . 1 . . . . . 278 LEU CA . 50478 1 49 . 1 . 1 11 11 LEU CB C 13 42.425 0.000 . 1 . . . . . 278 LEU CB . 50478 1 50 . 1 . 1 11 11 LEU N N 15 124.441 0.051 . 1 . . . . . 278 LEU N . 50478 1 51 . 1 . 1 12 12 ILE H H 1 8.223 0.005 . 1 . . . . . 279 ILE H . 50478 1 52 . 1 . 1 12 12 ILE C C 13 175.832 0.000 . 1 . . . . . 279 ILE C . 50478 1 53 . 1 . 1 12 12 ILE CA C 13 60.509 0.000 . 1 . . . . . 279 ILE CA . 50478 1 54 . 1 . 1 12 12 ILE CB C 13 38.446 0.000 . 1 . . . . . 279 ILE CB . 50478 1 55 . 1 . 1 12 12 ILE N N 15 123.484 0.083 . 1 . . . . . 279 ILE N . 50478 1 56 . 1 . 1 13 13 LEU H H 1 8.461 0.009 . 1 . . . . . 280 LEU H . 50478 1 57 . 1 . 1 13 13 LEU C C 13 174.463 0.000 . 1 . . . . . 280 LEU C . 50478 1 58 . 1 . 1 13 13 LEU CA C 13 52.672 0.000 . 1 . . . . . 280 LEU CA . 50478 1 59 . 1 . 1 13 13 LEU CB C 13 41.569 0.000 . 1 . . . . . 280 LEU CB . 50478 1 60 . 1 . 1 13 13 LEU N N 15 119.615 9.403 . 1 . . . . . 280 LEU N . 50478 1 61 . 1 . 1 15 15 PRO C C 13 176.776 0.000 . 1 . . . . . 282 PRO C . 50478 1 62 . 1 . 1 15 15 PRO CA C 13 62.665 0.000 . 1 . . . . . 282 PRO CA . 50478 1 63 . 1 . 1 15 15 PRO CB C 13 31.985 0.000 . 1 . . . . . 282 PRO CB . 50478 1 64 . 1 . 1 19 19 PRO C C 13 176.672 0.000 . 1 . . . . . 286 PRO C . 50478 1 65 . 1 . 1 19 19 PRO CA C 13 63.091 0.000 . 1 . . . . . 286 PRO CA . 50478 1 66 . 1 . 1 19 19 PRO CB C 13 32.280 0.000 . 1 . . . . . 286 PRO CB . 50478 1 67 . 1 . 1 20 20 LYS H H 1 8.478 0.002 . 1 . . . . . 287 LYS H . 50478 1 68 . 1 . 1 20 20 LYS C C 13 176.679 0.000 . 1 . . . . . 287 LYS C . 50478 1 69 . 1 . 1 20 20 LYS CA C 13 56.149 0.000 . 1 . . . . . 287 LYS CA . 50478 1 70 . 1 . 1 20 20 LYS CB C 13 33.119 0.000 . 1 . . . . . 287 LYS CB . 50478 1 71 . 1 . 1 20 20 LYS N N 15 122.537 0.024 . 1 . . . . . 287 LYS N . 50478 1 72 . 1 . 1 21 21 ILE H H 1 8.319 0.004 . 1 . . . . . 288 ILE H . 50478 1 73 . 1 . 1 21 21 ILE C C 13 176.114 0.000 . 1 . . . . . 288 ILE C . 50478 1 74 . 1 . 1 21 21 ILE CA C 13 60.803 0.000 . 1 . . . . . 288 ILE CA . 50478 1 75 . 1 . 1 21 21 ILE CB C 13 38.752 0.000 . 1 . . . . . 288 ILE CB . 50478 1 76 . 1 . 1 21 21 ILE N N 15 123.275 0.027 . 1 . . . . . 288 ILE N . 50478 1 77 . 1 . 1 22 22 LYS H H 1 8.547 0.001 . 1 . . . . . 289 LYS H . 50478 1 78 . 1 . 1 22 22 LYS C C 13 176.876 0.000 . 1 . . . . . 289 LYS C . 50478 1 79 . 1 . 1 22 22 LYS CA C 13 56.635 0.000 . 1 . . . . . 289 LYS CA . 50478 1 80 . 1 . 1 22 22 LYS CB C 13 33.000 0.000 . 1 . . . . . 289 LYS CB . 50478 1 81 . 1 . 1 22 22 LYS N N 15 126.932 0.035 . 1 . . . . . 289 LYS N . 50478 1 82 . 1 . 1 23 23 GLY H H 1 8.507 0.003 . 1 . . . . . 290 GLY H . 50478 1 83 . 1 . 1 23 23 GLY C C 13 173.631 0.000 . 1 . . . . . 290 GLY C . 50478 1 84 . 1 . 1 23 23 GLY CA C 13 44.991 0.000 . 1 . . . . . 290 GLY CA . 50478 1 85 . 1 . 1 23 23 GLY N N 15 111.233 0.008 . 1 . . . . . 290 GLY N . 50478 1 86 . 1 . 1 24 24 ILE H H 1 8.070 0.009 . 1 . . . . . 291 ILE H . 50478 1 87 . 1 . 1 24 24 ILE C C 13 175.877 0.000 . 1 . . . . . 291 ILE C . 50478 1 88 . 1 . 1 24 24 ILE CA C 13 60.634 0.000 . 1 . . . . . 291 ILE CA . 50478 1 89 . 1 . 1 24 24 ILE CB C 13 38.875 0.000 . 1 . . . . . 291 ILE CB . 50478 1 90 . 1 . 1 24 24 ILE N N 15 120.397 0.049 . 1 . . . . . 291 ILE N . 50478 1 91 . 1 . 1 25 25 ASP H H 1 8.513 0.005 . 1 . . . . . 292 ASP H . 50478 1 92 . 1 . 1 25 25 ASP C C 13 174.975 0.000 . 1 . . . . . 292 ASP C . 50478 1 93 . 1 . 1 25 25 ASP CA C 13 52.208 0.000 . 1 . . . . . 292 ASP CA . 50478 1 94 . 1 . 1 25 25 ASP CB C 13 41.284 0.000 . 1 . . . . . 292 ASP CB . 50478 1 95 . 1 . 1 25 25 ASP N N 15 127.136 0.059 . 1 . . . . . 292 ASP N . 50478 1 96 . 1 . 1 26 26 PRO C C 13 177.480 0.000 . 1 . . . . . 293 PRO C . 50478 1 97 . 1 . 1 26 26 PRO CA C 13 63.765 0.000 . 1 . . . . . 293 PRO CA . 50478 1 98 . 1 . 1 26 26 PRO CB C 13 32.203 0.000 . 1 . . . . . 293 PRO CB . 50478 1 99 . 1 . 1 27 27 ASP H H 1 8.492 0.004 . 1 . . . . . 294 ASP H . 50478 1 100 . 1 . 1 27 27 ASP C C 13 176.976 0.000 . 1 . . . . . 294 ASP C . 50478 1 101 . 1 . 1 27 27 ASP CA C 13 55.076 0.000 . 1 . . . . . 294 ASP CA . 50478 1 102 . 1 . 1 27 27 ASP CB C 13 40.626 0.000 . 1 . . . . . 294 ASP CB . 50478 1 103 . 1 . 1 27 27 ASP N N 15 119.494 0.008 . 1 . . . . . 294 ASP N . 50478 1 104 . 1 . 1 28 28 LEU H H 1 7.912 0.002 . 1 . . . . . 295 LEU H . 50478 1 105 . 1 . 1 28 28 LEU C C 13 177.968 0.000 . 1 . . . . . 295 LEU C . 50478 1 106 . 1 . 1 28 28 LEU CA C 13 55.761 0.000 . 1 . . . . . 295 LEU CA . 50478 1 107 . 1 . 1 28 28 LEU CB C 13 42.015 0.000 . 1 . . . . . 295 LEU CB . 50478 1 108 . 1 . 1 28 28 LEU N N 15 121.565 0.017 . 1 . . . . . 295 LEU N . 50478 1 109 . 1 . 1 29 29 LEU H H 1 7.985 0.005 . 1 . . . . . 296 LEU H . 50478 1 110 . 1 . 1 29 29 LEU C C 13 177.710 0.000 . 1 . . . . . 296 LEU C . 50478 1 111 . 1 . 1 29 29 LEU CA C 13 55.364 0.000 . 1 . . . . . 296 LEU CA . 50478 1 112 . 1 . 1 29 29 LEU CB C 13 41.832 0.000 . 1 . . . . . 296 LEU CB . 50478 1 113 . 1 . 1 29 29 LEU N N 15 121.178 0.024 . 1 . . . . . 296 LEU N . 50478 1 114 . 1 . 1 30 30 LYS H H 1 8.042 0.003 . 1 . . . . . 297 LYS H . 50478 1 115 . 1 . 1 30 30 LYS C C 13 176.784 0.000 . 1 . . . . . 297 LYS C . 50478 1 116 . 1 . 1 30 30 LYS CA C 13 56.621 0.000 . 1 . . . . . 297 LYS CA . 50478 1 117 . 1 . 1 30 30 LYS CB C 13 32.827 0.000 . 1 . . . . . 297 LYS CB . 50478 1 118 . 1 . 1 30 30 LYS N N 15 121.447 0.024 . 1 . . . . . 297 LYS N . 50478 1 119 . 1 . 1 31 31 GLU H H 1 8.387 0.004 . 1 . . . . . 298 GLU H . 50478 1 120 . 1 . 1 31 31 GLU C C 13 177.069 0.000 . 1 . . . . . 298 GLU C . 50478 1 121 . 1 . 1 31 31 GLU CA C 13 56.762 0.000 . 1 . . . . . 298 GLU CA . 50478 1 122 . 1 . 1 31 31 GLU CB C 13 30.126 0.000 . 1 . . . . . 298 GLU CB . 50478 1 123 . 1 . 1 31 31 GLU N N 15 121.335 0.045 . 1 . . . . . 298 GLU N . 50478 1 124 . 1 . 1 32 32 GLY H H 1 8.445 0.002 . 1 . . . . . 299 GLY H . 50478 1 125 . 1 . 1 32 32 GLY C C 13 174.004 0.000 . 1 . . . . . 299 GLY C . 50478 1 126 . 1 . 1 32 32 GLY CA C 13 45.341 0.000 . 1 . . . . . 299 GLY CA . 50478 1 127 . 1 . 1 32 32 GLY N N 15 109.961 0.021 . 1 . . . . . 299 GLY N . 50478 1 128 . 1 . 1 33 33 LYS H H 1 8.142 0.000 . 1 . . . . . 300 LYS H . 50478 1 129 . 1 . 1 33 33 LYS C C 13 176.589 0.000 . 1 . . . . . 300 LYS C . 50478 1 130 . 1 . 1 33 33 LYS CA C 13 56.055 0.000 . 1 . . . . . 300 LYS CA . 50478 1 131 . 1 . 1 33 33 LYS CB C 13 33.140 0.000 . 1 . . . . . 300 LYS CB . 50478 1 132 . 1 . 1 33 33 LYS N N 15 120.927 0.000 . 1 . . . . . 300 LYS N . 50478 1 133 . 1 . 1 34 34 LEU H H 1 8.417 0.001 . 1 . . . . . 301 LEU H . 50478 1 134 . 1 . 1 34 34 LEU C C 13 177.457 0.000 . 1 . . . . . 301 LEU C . 50478 1 135 . 1 . 1 34 34 LEU CA C 13 55.185 0.000 . 1 . . . . . 301 LEU CA . 50478 1 136 . 1 . 1 34 34 LEU CB C 13 42.283 0.000 . 1 . . . . . 301 LEU CB . 50478 1 137 . 1 . 1 34 34 LEU N N 15 124.241 0.021 . 1 . . . . . 301 LEU N . 50478 1 138 . 1 . 1 35 35 GLU H H 1 8.501 0.002 . 1 . . . . . 302 GLU H . 50478 1 139 . 1 . 1 35 35 GLU C C 13 176.490 0.000 . 1 . . . . . 302 GLU C . 50478 1 140 . 1 . 1 35 35 GLU CA C 13 56.484 0.000 . 1 . . . . . 302 GLU CA . 50478 1 141 . 1 . 1 35 35 GLU CB C 13 30.227 0.000 . 1 . . . . . 302 GLU CB . 50478 1 142 . 1 . 1 35 35 GLU N N 15 121.989 0.024 . 1 . . . . . 302 GLU N . 50478 1 143 . 1 . 1 36 36 GLU H H 1 8.463 0.014 . 1 . . . . . 303 GLU H . 50478 1 144 . 1 . 1 36 36 GLU C C 13 176.602 0.000 . 1 . . . . . 303 GLU C . 50478 1 145 . 1 . 1 36 36 GLU CA C 13 56.591 0.000 . 1 . . . . . 303 GLU CA . 50478 1 146 . 1 . 1 36 36 GLU CB C 13 30.259 0.000 . 1 . . . . . 303 GLU CB . 50478 1 147 . 1 . 1 36 36 GLU N N 15 122.873 0.047 . 1 . . . . . 303 GLU N . 50478 1 148 . 1 . 1 37 37 VAL H H 1 8.298 0.001 . 1 . . . . . 304 VAL H . 50478 1 149 . 1 . 1 37 37 VAL C C 13 176.006 0.000 . 1 . . . . . 304 VAL C . 50478 1 150 . 1 . 1 37 37 VAL CA C 13 62.588 0.000 . 1 . . . . . 304 VAL CA . 50478 1 151 . 1 . 1 37 37 VAL CB C 13 32.718 0.000 . 1 . . . . . 304 VAL CB . 50478 1 152 . 1 . 1 37 37 VAL N N 15 121.703 0.024 . 1 . . . . . 304 VAL N . 50478 1 153 . 1 . 1 38 38 ASN H H 1 8.632 0.003 . 1 . . . . . 305 ASN H . 50478 1 154 . 1 . 1 38 38 ASN C C 13 175.501 0.000 . 1 . . . . . 305 ASN C . 50478 1 155 . 1 . 1 38 38 ASN CA C 13 53.306 0.000 . 1 . . . . . 305 ASN CA . 50478 1 156 . 1 . 1 38 38 ASN CB C 13 38.861 0.000 . 1 . . . . . 305 ASN CB . 50478 1 157 . 1 . 1 38 38 ASN N N 15 122.649 0.035 . 1 . . . . . 305 ASN N . 50478 1 158 . 1 . 1 39 39 THR H H 1 8.206 0.004 . 1 . . . . . 306 THR H . 50478 1 159 . 1 . 1 39 39 THR C C 13 174.545 0.000 . 1 . . . . . 306 THR C . 50478 1 160 . 1 . 1 39 39 THR CA C 13 62.430 0.000 . 1 . . . . . 306 THR CA . 50478 1 161 . 1 . 1 39 39 THR CB C 13 69.664 0.000 . 1 . . . . . 306 THR CB . 50478 1 162 . 1 . 1 39 39 THR N N 15 116.086 0.031 . 1 . . . . . 306 THR N . 50478 1 163 . 1 . 1 40 40 ILE H H 1 8.213 0.004 . 1 . . . . . 307 ILE H . 50478 1 164 . 1 . 1 40 40 ILE C C 13 176.337 0.000 . 1 . . . . . 307 ILE C . 50478 1 165 . 1 . 1 40 40 ILE CA C 13 61.387 0.000 . 1 . . . . . 307 ILE CA . 50478 1 166 . 1 . 1 40 40 ILE CB C 13 38.330 0.000 . 1 . . . . . 307 ILE CB . 50478 1 167 . 1 . 1 40 40 ILE N N 15 124.052 0.030 . 1 . . . . . 307 ILE N . 50478 1 168 . 1 . 1 41 41 LEU H H 1 8.291 0.005 . 1 . . . . . 308 LEU H . 50478 1 169 . 1 . 1 41 41 LEU C C 13 176.942 0.000 . 1 . . . . . 308 LEU C . 50478 1 170 . 1 . 1 41 41 LEU CA C 13 54.992 0.000 . 1 . . . . . 308 LEU CA . 50478 1 171 . 1 . 1 41 41 LEU CB C 13 42.288 0.000 . 1 . . . . . 308 LEU CB . 50478 1 172 . 1 . 1 41 41 LEU N N 15 126.543 0.032 . 1 . . . . . 308 LEU N . 50478 1 173 . 1 . 1 42 42 ALA H H 1 8.268 0.004 . 1 . . . . . 309 ALA H . 50478 1 174 . 1 . 1 42 42 ALA C C 13 177.640 0.000 . 1 . . . . . 309 ALA C . 50478 1 175 . 1 . 1 42 42 ALA CA C 13 52.364 0.000 . 1 . . . . . 309 ALA CA . 50478 1 176 . 1 . 1 42 42 ALA CB C 13 19.103 0.000 . 1 . . . . . 309 ALA CB . 50478 1 177 . 1 . 1 42 42 ALA N N 15 125.413 0.024 . 1 . . . . . 309 ALA N . 50478 1 178 . 1 . 1 43 43 ILE H H 1 8.089 0.001 . 1 . . . . . 310 ILE H . 50478 1 179 . 1 . 1 43 43 ILE C C 13 176.333 0.000 . 1 . . . . . 310 ILE C . 50478 1 180 . 1 . 1 43 43 ILE CA C 13 61.268 0.000 . 1 . . . . . 310 ILE CA . 50478 1 181 . 1 . 1 43 43 ILE CB C 13 38.649 0.000 . 1 . . . . . 310 ILE CB . 50478 1 182 . 1 . 1 43 43 ILE N N 15 120.112 0.013 . 1 . . . . . 310 ILE N . 50478 1 183 . 1 . 1 44 44 HIS H H 1 8.388 0.006 . 1 . . . . . 311 HIS H . 50478 1 184 . 1 . 1 44 44 HIS C C 13 175.098 0.000 . 1 . . . . . 311 HIS C . 50478 1 185 . 1 . 1 44 44 HIS CA C 13 56.120 0.000 . 1 . . . . . 311 HIS CA . 50478 1 186 . 1 . 1 44 44 HIS CB C 13 30.699 0.000 . 1 . . . . . 311 HIS CB . 50478 1 187 . 1 . 1 44 44 HIS N N 15 123.606 0.019 . 1 . . . . . 311 HIS N . 50478 1 188 . 1 . 1 45 45 ASP H H 1 8.345 0.003 . 1 . . . . . 312 ASP H . 50478 1 189 . 1 . 1 45 45 ASP C C 13 176.258 0.000 . 1 . . . . . 312 ASP C . 50478 1 190 . 1 . 1 45 45 ASP CA C 13 54.584 0.000 . 1 . . . . . 312 ASP CA . 50478 1 191 . 1 . 1 45 45 ASP CB C 13 41.166 0.000 . 1 . . . . . 312 ASP CB . 50478 1 192 . 1 . 1 45 45 ASP N N 15 122.437 0.018 . 1 . . . . . 312 ASP N . 50478 1 193 . 1 . 1 46 46 SER H H 1 8.338 0.003 . 1 . . . . . 313 SER H . 50478 1 194 . 1 . 1 46 46 SER C C 13 174.104 0.000 . 1 . . . . . 313 SER C . 50478 1 195 . 1 . 1 46 46 SER CA C 13 58.538 0.000 . 1 . . . . . 313 SER CA . 50478 1 196 . 1 . 1 46 46 SER CB C 13 63.716 0.000 . 1 . . . . . 313 SER CB . 50478 1 197 . 1 . 1 46 46 SER N N 15 116.251 0.010 . 1 . . . . . 313 SER N . 50478 1 198 . 1 . 1 47 47 TYR H H 1 8.241 0.005 . 1 . . . . . 314 TYR H . 50478 1 199 . 1 . 1 47 47 TYR C C 13 175.223 0.000 . 1 . . . . . 314 TYR C . 50478 1 200 . 1 . 1 47 47 TYR CA C 13 58.093 0.000 . 1 . . . . . 314 TYR CA . 50478 1 201 . 1 . 1 47 47 TYR CB C 13 38.574 0.000 . 1 . . . . . 314 TYR CB . 50478 1 202 . 1 . 1 47 47 TYR N N 15 122.680 0.026 . 1 . . . . . 314 TYR N . 50478 1 203 . 1 . 1 48 48 LYS H H 1 8.038 0.003 . 1 . . . . . 315 LYS H . 50478 1 204 . 1 . 1 48 48 LYS C C 13 173.586 0.000 . 1 . . . . . 315 LYS C . 50478 1 205 . 1 . 1 48 48 LYS CA C 13 53.518 0.000 . 1 . . . . . 315 LYS CA . 50478 1 206 . 1 . 1 48 48 LYS CB C 13 32.964 0.000 . 1 . . . . . 315 LYS CB . 50478 1 207 . 1 . 1 48 48 LYS N N 15 126.365 0.024 . 1 . . . . . 315 LYS N . 50478 1 208 . 1 . 1 49 49 PRO C C 13 176.792 0.000 . 1 . . . . . 316 PRO C . 50478 1 209 . 1 . 1 49 49 PRO CA C 13 63.020 0.000 . 1 . . . . . 316 PRO CA . 50478 1 210 . 1 . 1 49 49 PRO CB C 13 32.039 0.000 . 1 . . . . . 316 PRO CB . 50478 1 211 . 1 . 1 50 50 GLU H H 1 8.582 0.002 . 1 . . . . . 317 GLU H . 50478 1 212 . 1 . 1 50 50 GLU C C 13 176.010 0.000 . 1 . . . . . 317 GLU C . 50478 1 213 . 1 . 1 50 50 GLU CA C 13 56.574 0.000 . 1 . . . . . 317 GLU CA . 50478 1 214 . 1 . 1 50 50 GLU CB C 13 30.252 0.000 . 1 . . . . . 317 GLU CB . 50478 1 215 . 1 . 1 50 50 GLU N N 15 120.851 0.011 . 1 . . . . . 317 GLU N . 50478 1 216 . 1 . 1 51 51 PHE H H 1 8.208 0.001 . 1 . . . . . 318 PHE H . 50478 1 217 . 1 . 1 51 51 PHE C C 13 175.139 0.000 . 1 . . . . . 318 PHE C . 50478 1 218 . 1 . 1 51 51 PHE CA C 13 57.499 0.000 . 1 . . . . . 318 PHE CA . 50478 1 219 . 1 . 1 51 51 PHE CB C 13 39.719 0.000 . 1 . . . . . 318 PHE CB . 50478 1 220 . 1 . 1 51 51 PHE N N 15 121.165 0.024 . 1 . . . . . 318 PHE N . 50478 1 221 . 1 . 1 52 52 HIS H H 1 8.262 0.000 . 1 . . . . . 319 HIS H . 50478 1 222 . 1 . 1 52 52 HIS C C 13 174.393 0.000 . 1 . . . . . 319 HIS C . 50478 1 223 . 1 . 1 52 52 HIS CA C 13 55.463 0.000 . 1 . . . . . 319 HIS CA . 50478 1 224 . 1 . 1 52 52 HIS CB C 13 30.449 0.000 . 1 . . . . . 319 HIS CB . 50478 1 225 . 1 . 1 52 52 HIS N N 15 122.058 0.000 . 1 . . . . . 319 HIS N . 50478 1 226 . 1 . 1 53 53 SER H H 1 8.341 0.007 . 1 . . . . . 320 SER H . 50478 1 227 . 1 . 1 53 53 SER C C 13 174.242 0.000 . 1 . . . . . 320 SER C . 50478 1 228 . 1 . 1 53 53 SER CA C 13 58.332 0.000 . 1 . . . . . 320 SER CA . 50478 1 229 . 1 . 1 53 53 SER CB C 13 63.807 0.000 . 1 . . . . . 320 SER CB . 50478 1 230 . 1 . 1 53 53 SER N N 15 118.046 0.026 . 1 . . . . . 320 SER N . 50478 1 231 . 1 . 1 54 54 ASP H H 1 8.532 0.002 . 1 . . . . . 321 ASP H . 50478 1 232 . 1 . 1 54 54 ASP C C 13 176.151 0.000 . 1 . . . . . 321 ASP C . 50478 1 233 . 1 . 1 54 54 ASP CA C 13 54.382 0.000 . 1 . . . . . 321 ASP CA . 50478 1 234 . 1 . 1 54 54 ASP CB C 13 41.115 0.000 . 1 . . . . . 321 ASP CB . 50478 1 235 . 1 . 1 54 54 ASP N N 15 122.618 0.031 . 1 . . . . . 321 ASP N . 50478 1 236 . 1 . 1 55 55 ASP H H 1 8.331 0.008 . 1 . . . . . 322 ASP H . 50478 1 237 . 1 . 1 55 55 ASP C C 13 176.565 0.000 . 1 . . . . . 322 ASP C . 50478 1 238 . 1 . 1 55 55 ASP CA C 13 54.650 0.000 . 1 . . . . . 322 ASP CA . 50478 1 239 . 1 . 1 55 55 ASP CB C 13 40.790 0.000 . 1 . . . . . 322 ASP CB . 50478 1 240 . 1 . 1 55 55 ASP N N 15 120.950 0.046 . 1 . . . . . 322 ASP N . 50478 1 241 . 1 . 1 56 56 SER H H 1 8.298 0.007 . 1 . . . . . 323 SER H . 50478 1 242 . 1 . 1 56 56 SER C C 13 174.199 0.000 . 1 . . . . . 323 SER C . 50478 1 243 . 1 . 1 56 56 SER CA C 13 58.968 0.000 . 1 . . . . . 323 SER CA . 50478 1 244 . 1 . 1 56 56 SER CB C 13 63.692 0.000 . 1 . . . . . 323 SER CB . 50478 1 245 . 1 . 1 56 56 SER N N 15 115.855 0.027 . 1 . . . . . 323 SER N . 50478 1 246 . 1 . 1 57 57 TRP H H 1 8.064 0.004 . 1 . . . . . 324 TRP H . 50478 1 247 . 1 . 1 57 57 TRP C C 13 175.796 0.000 . 1 . . . . . 324 TRP C . 50478 1 248 . 1 . 1 57 57 TRP CA C 13 57.487 0.000 . 1 . . . . . 324 TRP CA . 50478 1 249 . 1 . 1 57 57 TRP CB C 13 29.485 0.000 . 1 . . . . . 324 TRP CB . 50478 1 250 . 1 . 1 57 57 TRP N N 15 123.283 0.057 . 1 . . . . . 324 TRP N . 50478 1 251 . 1 . 1 58 58 VAL H H 1 7.656 0.019 . 1 . . . . . 325 VAL H . 50478 1 252 . 1 . 1 58 58 VAL C C 13 175.029 0.000 . 1 . . . . . 325 VAL C . 50478 1 253 . 1 . 1 58 58 VAL CA C 13 61.785 0.000 . 1 . . . . . 325 VAL CA . 50478 1 254 . 1 . 1 58 58 VAL CB C 13 33.267 0.000 . 1 . . . . . 325 VAL CB . 50478 1 255 . 1 . 1 58 58 VAL N N 15 123.225 0.103 . 1 . . . . . 325 VAL N . 50478 1 256 . 1 . 1 59 59 GLU H H 1 8.169 0.008 . 1 . . . . . 326 GLU H . 50478 1 257 . 1 . 1 59 59 GLU C C 13 175.717 0.000 . 1 . . . . . 326 GLU C . 50478 1 258 . 1 . 1 59 59 GLU CA C 13 56.456 0.000 . 1 . . . . . 326 GLU CA . 50478 1 259 . 1 . 1 59 59 GLU CB C 13 30.585 0.000 . 1 . . . . . 326 GLU CB . 50478 1 260 . 1 . 1 59 59 GLU N N 15 124.491 0.043 . 1 . . . . . 326 GLU N . 50478 1 261 . 1 . 1 60 60 PHE H H 1 8.286 0.000 . 1 . . . . . 327 PHE H . 50478 1 262 . 1 . 1 60 60 PHE C C 13 174.997 0.000 . 1 . . . . . 327 PHE C . 50478 1 263 . 1 . 1 60 60 PHE CA C 13 57.574 0.000 . 1 . . . . . 327 PHE CA . 50478 1 264 . 1 . 1 60 60 PHE CB C 13 40.057 0.000 . 1 . . . . . 327 PHE CB . 50478 1 265 . 1 . 1 60 60 PHE N N 15 122.375 0.000 . 1 . . . . . 327 PHE N . 50478 1 266 . 1 . 1 61 61 ILE H H 1 8.006 0.025 . 1 . . . . . 328 ILE H . 50478 1 267 . 1 . 1 61 61 ILE C C 13 175.159 0.000 . 1 . . . . . 328 ILE C . 50478 1 268 . 1 . 1 61 61 ILE CA C 13 60.416 0.000 . 1 . . . . . 328 ILE CA . 50478 1 269 . 1 . 1 61 61 ILE CB C 13 39.224 0.000 . 1 . . . . . 328 ILE CB . 50478 1 270 . 1 . 1 61 61 ILE N N 15 124.797 0.174 . 1 . . . . . 328 ILE N . 50478 1 271 . 1 . 1 62 62 GLU H H 1 8.427 0.003 . 1 . . . . . 329 GLU H . 50478 1 272 . 1 . 1 62 62 GLU C C 13 175.992 0.000 . 1 . . . . . 329 GLU C . 50478 1 273 . 1 . 1 62 62 GLU CA C 13 56.120 0.000 . 1 . . . . . 329 GLU CA . 50478 1 274 . 1 . 1 62 62 GLU CB C 13 30.390 0.000 . 1 . . . . . 329 GLU CB . 50478 1 275 . 1 . 1 62 62 GLU N N 15 125.913 0.060 . 1 . . . . . 329 GLU N . 50478 1 276 . 1 . 1 63 63 LEU H H 1 8.374 0.006 . 1 . . . . . 330 LEU H . 50478 1 277 . 1 . 1 63 63 LEU C C 13 176.883 0.000 . 1 . . . . . 330 LEU C . 50478 1 278 . 1 . 1 63 63 LEU CA C 13 54.797 0.000 . 1 . . . . . 330 LEU CA . 50478 1 279 . 1 . 1 63 63 LEU CB C 13 42.810 0.000 . 1 . . . . . 330 LEU CB . 50478 1 280 . 1 . 1 63 63 LEU N N 15 124.653 0.035 . 1 . . . . . 330 LEU N . 50478 1 281 . 1 . 1 64 64 ASP H H 1 8.504 0.004 . 1 . . . . . 331 ASP H . 50478 1 282 . 1 . 1 64 64 ASP C C 13 175.998 0.000 . 1 . . . . . 331 ASP C . 50478 1 283 . 1 . 1 64 64 ASP CA C 13 54.182 0.000 . 1 . . . . . 331 ASP CA . 50478 1 284 . 1 . 1 64 64 ASP CB C 13 41.010 0.000 . 1 . . . . . 331 ASP CB . 50478 1 285 . 1 . 1 64 64 ASP N N 15 122.271 0.067 . 1 . . . . . 331 ASP N . 50478 1 286 . 1 . 1 65 65 ILE H H 1 8.151 0.001 . 1 . . . . . 332 ILE H . 50478 1 287 . 1 . 1 65 65 ILE C C 13 175.831 0.000 . 1 . . . . . 332 ILE C . 50478 1 288 . 1 . 1 65 65 ILE CA C 13 60.832 0.000 . 1 . . . . . 332 ILE CA . 50478 1 289 . 1 . 1 65 65 ILE CB C 13 39.261 0.000 . 1 . . . . . 332 ILE CB . 50478 1 290 . 1 . 1 65 65 ILE N N 15 121.004 0.013 . 1 . . . . . 332 ILE N . 50478 1 291 . 1 . 1 66 66 ASP H H 1 8.460 0.012 . 1 . . . . . 333 ASP H . 50478 1 292 . 1 . 1 66 66 ASP C C 13 175.783 0.000 . 1 . . . . . 333 ASP C . 50478 1 293 . 1 . 1 66 66 ASP CA C 13 54.243 0.000 . 1 . . . . . 333 ASP CA . 50478 1 294 . 1 . 1 66 66 ASP CB C 13 41.246 0.000 . 1 . . . . . 333 ASP CB . 50478 1 295 . 1 . 1 66 66 ASP N N 15 124.915 0.056 . 1 . . . . . 333 ASP N . 50478 1 296 . 1 . 1 67 67 GLU H H 1 8.367 0.008 . 1 . . . . . 334 GLU H . 50478 1 297 . 1 . 1 67 67 GLU C C 13 174.432 0.000 . 1 . . . . . 334 GLU C . 50478 1 298 . 1 . 1 67 67 GLU CA C 13 54.194 0.000 . 1 . . . . . 334 GLU CA . 50478 1 299 . 1 . 1 67 67 GLU CB C 13 29.986 0.000 . 1 . . . . . 334 GLU CB . 50478 1 300 . 1 . 1 67 67 GLU N N 15 123.082 0.030 . 1 . . . . . 334 GLU N . 50478 1 301 . 1 . 1 68 68 PRO C C 13 176.664 0.000 . 1 . . . . . 335 PRO C . 50478 1 302 . 1 . 1 68 68 PRO CA C 13 63.067 0.000 . 1 . . . . . 335 PRO CA . 50478 1 303 . 1 . 1 68 68 PRO CB C 13 32.239 0.000 . 1 . . . . . 335 PRO CB . 50478 1 304 . 1 . 1 69 69 ASP H H 1 8.544 0.003 . 1 . . . . . 336 ASP H . 50478 1 305 . 1 . 1 69 69 ASP C C 13 176.341 0.000 . 1 . . . . . 336 ASP C . 50478 1 306 . 1 . 1 69 69 ASP CA C 13 54.306 0.000 . 1 . . . . . 336 ASP CA . 50478 1 307 . 1 . 1 69 69 ASP CB C 13 41.173 0.000 . 1 . . . . . 336 ASP CB . 50478 1 308 . 1 . 1 69 69 ASP N N 15 121.326 0.030 . 1 . . . . . 336 ASP N . 50478 1 309 . 1 . 1 70 70 GLU H H 1 8.446 0.000 . 1 . . . . . 337 GLU H . 50478 1 310 . 1 . 1 70 70 GLU C C 13 176.346 0.000 . 1 . . . . . 337 GLU C . 50478 1 311 . 1 . 1 70 70 GLU CA C 13 56.399 0.000 . 1 . . . . . 337 GLU CA . 50478 1 312 . 1 . 1 70 70 GLU CB C 13 30.347 0.000 . 1 . . . . . 337 GLU CB . 50478 1 313 . 1 . 1 70 70 GLU N N 15 121.957 0.011 . 1 . . . . . 337 GLU N . 50478 1 314 . 1 . 1 71 71 LYS H H 1 8.518 0.001 . 1 . . . . . 338 LYS H . 50478 1 315 . 1 . 1 71 71 LYS C C 13 176.830 0.000 . 1 . . . . . 338 LYS C . 50478 1 316 . 1 . 1 71 71 LYS CA C 13 56.128 0.000 . 1 . . . . . 338 LYS CA . 50478 1 317 . 1 . 1 71 71 LYS CB C 13 32.852 0.000 . 1 . . . . . 338 LYS CB . 50478 1 318 . 1 . 1 71 71 LYS N N 15 123.397 0.016 . 1 . . . . . 338 LYS N . 50478 1 319 . 1 . 1 72 72 THR H H 1 8.358 0.001 . 1 . . . . . 339 THR H . 50478 1 320 . 1 . 1 72 72 THR C C 13 174.634 0.000 . 1 . . . . . 339 THR C . 50478 1 321 . 1 . 1 72 72 THR CA C 13 61.882 0.000 . 1 . . . . . 339 THR CA . 50478 1 322 . 1 . 1 72 72 THR CB C 13 69.902 0.000 . 1 . . . . . 339 THR CB . 50478 1 323 . 1 . 1 72 72 THR N N 15 116.841 0.008 . 1 . . . . . 339 THR N . 50478 1 324 . 1 . 1 73 73 GLU H H 1 8.597 0.002 . 1 . . . . . 340 GLU H . 50478 1 325 . 1 . 1 73 73 GLU C C 13 176.547 0.000 . 1 . . . . . 340 GLU C . 50478 1 326 . 1 . 1 73 73 GLU CA C 13 56.434 0.000 . 1 . . . . . 340 GLU CA . 50478 1 327 . 1 . 1 73 73 GLU CB C 13 30.399 0.000 . 1 . . . . . 340 GLU CB . 50478 1 328 . 1 . 1 73 73 GLU N N 15 123.720 0.017 . 1 . . . . . 340 GLU N . 50478 1 329 . 1 . 1 74 74 GLU H H 1 8.593 0.000 . 1 . . . . . 341 GLU H . 50478 1 330 . 1 . 1 74 74 GLU C C 13 176.594 0.000 . 1 . . . . . 341 GLU C . 50478 1 331 . 1 . 1 74 74 GLU CA C 13 56.639 0.000 . 1 . . . . . 341 GLU CA . 50478 1 332 . 1 . 1 74 74 GLU CB C 13 30.391 0.000 . 1 . . . . . 341 GLU CB . 50478 1 333 . 1 . 1 74 74 GLU N N 15 122.858 0.000 . 1 . . . . . 341 GLU N . 50478 1 334 . 1 . 1 75 75 SER H H 1 8.576 0.002 . 1 . . . . . 342 SER H . 50478 1 335 . 1 . 1 75 75 SER C C 13 174.658 0.000 . 1 . . . . . 342 SER C . 50478 1 336 . 1 . 1 75 75 SER CA C 13 58.212 0.000 . 1 . . . . . 342 SER CA . 50478 1 337 . 1 . 1 75 75 SER CB C 13 64.134 0.000 . 1 . . . . . 342 SER CB . 50478 1 338 . 1 . 1 75 75 SER N N 15 117.621 0.005 . 1 . . . . . 342 SER N . 50478 1 339 . 1 . 1 76 76 ASP H H 1 8.596 0.001 . 1 . . . . . 343 ASP H . 50478 1 340 . 1 . 1 76 76 ASP C C 13 177.232 0.000 . 1 . . . . . 343 ASP C . 50478 1 341 . 1 . 1 76 76 ASP CA C 13 54.944 0.000 . 1 . . . . . 343 ASP CA . 50478 1 342 . 1 . 1 76 76 ASP CB C 13 40.751 0.000 . 1 . . . . . 343 ASP CB . 50478 1 343 . 1 . 1 76 76 ASP N N 15 122.875 0.016 . 1 . . . . . 343 ASP N . 50478 1 344 . 1 . 1 77 77 THR H H 1 8.132 0.004 . 1 . . . . . 344 THR H . 50478 1 345 . 1 . 1 77 77 THR C C 13 175.230 0.000 . 1 . . . . . 344 THR C . 50478 1 346 . 1 . 1 77 77 THR CA C 13 63.353 0.000 . 1 . . . . . 344 THR CA . 50478 1 347 . 1 . 1 77 77 THR CB C 13 69.332 0.000 . 1 . . . . . 344 THR CB . 50478 1 348 . 1 . 1 77 77 THR N N 15 114.454 0.003 . 1 . . . . . 344 THR N . 50478 1 349 . 1 . 1 78 78 ASP H H 1 8.309 0.006 . 1 . . . . . 345 ASP H . 50478 1 350 . 1 . 1 78 78 ASP C C 13 177.055 0.000 . 1 . . . . . 345 ASP C . 50478 1 351 . 1 . 1 78 78 ASP CA C 13 55.315 0.000 . 1 . . . . . 345 ASP CA . 50478 1 352 . 1 . 1 78 78 ASP CB C 13 40.679 0.000 . 1 . . . . . 345 ASP CB . 50478 1 353 . 1 . 1 78 78 ASP N N 15 122.612 0.032 . 1 . . . . . 345 ASP N . 50478 1 354 . 1 . 1 79 79 ARG H H 1 8.082 0.007 . 1 . . . . . 346 ARG H . 50478 1 355 . 1 . 1 79 79 ARG C C 13 176.948 0.000 . 1 . . . . . 346 ARG C . 50478 1 356 . 1 . 1 79 79 ARG CA C 13 56.965 0.000 . 1 . . . . . 346 ARG CA . 50478 1 357 . 1 . 1 79 79 ARG CB C 13 30.392 0.000 . 1 . . . . . 346 ARG CB . 50478 1 358 . 1 . 1 79 79 ARG N N 15 120.946 0.030 . 1 . . . . . 346 ARG N . 50478 1 359 . 1 . 1 80 80 LEU H H 1 8.162 0.009 . 1 . . . . . 347 LEU H . 50478 1 360 . 1 . 1 80 80 LEU C C 13 177.908 0.000 . 1 . . . . . 347 LEU C . 50478 1 361 . 1 . 1 80 80 LEU CA C 13 55.669 0.000 . 1 . . . . . 347 LEU CA . 50478 1 362 . 1 . 1 80 80 LEU CB C 13 41.932 0.000 . 1 . . . . . 347 LEU CB . 50478 1 363 . 1 . 1 80 80 LEU N N 15 122.113 0.060 . 1 . . . . . 347 LEU N . 50478 1 364 . 1 . 1 81 81 LEU H H 1 8.159 0.009 . 1 . . . . . 348 LEU H . 50478 1 365 . 1 . 1 81 81 LEU C C 13 177.834 0.000 . 1 . . . . . 348 LEU C . 50478 1 366 . 1 . 1 81 81 LEU CA C 13 55.268 0.000 . 1 . . . . . 348 LEU CA . 50478 1 367 . 1 . 1 81 81 LEU CB C 13 42.119 0.000 . 1 . . . . . 348 LEU CB . 50478 1 368 . 1 . 1 81 81 LEU N N 15 121.929 0.060 . 1 . . . . . 348 LEU N . 50478 1 369 . 1 . 1 82 82 SER H H 1 8.240 0.007 . 1 . . . . . 349 SER H . 50478 1 370 . 1 . 1 82 82 SER C C 13 175.096 0.000 . 1 . . . . . 349 SER C . 50478 1 371 . 1 . 1 82 82 SER CA C 13 58.525 0.000 . 1 . . . . . 349 SER CA . 50478 1 372 . 1 . 1 82 82 SER CB C 13 63.696 0.000 . 1 . . . . . 349 SER CB . 50478 1 373 . 1 . 1 82 82 SER N N 15 116.243 0.045 . 1 . . . . . 349 SER N . 50478 1 374 . 1 . 1 83 83 SER H H 1 8.417 0.006 . 1 . . . . . 350 SER H . 50478 1 375 . 1 . 1 83 83 SER C C 13 174.673 0.000 . 1 . . . . . 350 SER C . 50478 1 376 . 1 . 1 83 83 SER CA C 13 58.844 0.000 . 1 . . . . . 350 SER CA . 50478 1 377 . 1 . 1 83 83 SER CB C 13 63.636 0.000 . 1 . . . . . 350 SER CB . 50478 1 378 . 1 . 1 83 83 SER N N 15 117.982 0.020 . 1 . . . . . 350 SER N . 50478 1 379 . 1 . 1 84 84 ASP H H 1 8.342 0.005 . 1 . . . . . 351 ASP H . 50478 1 380 . 1 . 1 84 84 ASP C C 13 176.630 0.000 . 1 . . . . . 351 ASP C . 50478 1 381 . 1 . 1 84 84 ASP CA C 13 54.770 0.000 . 1 . . . . . 351 ASP CA . 50478 1 382 . 1 . 1 84 84 ASP CB C 13 40.770 0.000 . 1 . . . . . 351 ASP CB . 50478 1 383 . 1 . 1 84 84 ASP N N 15 122.092 0.027 . 1 . . . . . 351 ASP N . 50478 1 384 . 1 . 1 85 85 HIS H H 1 8.216 0.003 . 1 . . . . . 352 HIS H . 50478 1 385 . 1 . 1 85 85 HIS C C 13 175.837 0.000 . 1 . . . . . 352 HIS C . 50478 1 386 . 1 . 1 85 85 HIS CA C 13 56.917 0.000 . 1 . . . . . 352 HIS CA . 50478 1 387 . 1 . 1 85 85 HIS CB C 13 30.175 0.000 . 1 . . . . . 352 HIS CB . 50478 1 388 . 1 . 1 85 85 HIS N N 15 119.682 0.020 . 1 . . . . . 352 HIS N . 50478 1 389 . 1 . 1 86 86 GLU H H 1 8.327 0.001 . 1 . . . . . 353 GLU H . 50478 1 390 . 1 . 1 86 86 GLU C C 13 177.054 0.000 . 1 . . . . . 353 GLU C . 50478 1 391 . 1 . 1 86 86 GLU CA C 13 57.028 0.000 . 1 . . . . . 353 GLU CA . 50478 1 392 . 1 . 1 86 86 GLU CB C 13 29.922 0.000 . 1 . . . . . 353 GLU CB . 50478 1 393 . 1 . 1 86 86 GLU N N 15 121.376 0.045 . 1 . . . . . 353 GLU N . 50478 1 394 . 1 . 1 87 87 LYS H H 1 8.322 0.007 . 1 . . . . . 354 LYS H . 50478 1 395 . 1 . 1 87 87 LYS C C 13 177.022 0.000 . 1 . . . . . 354 LYS C . 50478 1 396 . 1 . 1 87 87 LYS CA C 13 56.680 0.000 . 1 . . . . . 354 LYS CA . 50478 1 397 . 1 . 1 87 87 LYS CB C 13 32.772 0.000 . 1 . . . . . 354 LYS CB . 50478 1 398 . 1 . 1 87 87 LYS N N 15 121.799 0.045 . 1 . . . . . 354 LYS N . 50478 1 399 . 1 . 1 88 88 SER H H 1 8.284 0.006 . 1 . . . . . 355 SER H . 50478 1 400 . 1 . 1 88 88 SER C C 13 174.665 0.000 . 1 . . . . . 355 SER C . 50478 1 401 . 1 . 1 88 88 SER CA C 13 58.597 0.000 . 1 . . . . . 355 SER CA . 50478 1 402 . 1 . 1 88 88 SER CB C 13 63.621 0.000 . 1 . . . . . 355 SER CB . 50478 1 403 . 1 . 1 88 88 SER N N 15 116.242 0.051 . 1 . . . . . 355 SER N . 50478 1 404 . 1 . 1 89 89 HIS H H 1 8.375 0.012 . 1 . . . . . 356 HIS H . 50478 1 405 . 1 . 1 89 89 HIS C C 13 175.323 0.000 . 1 . . . . . 356 HIS C . 50478 1 406 . 1 . 1 89 89 HIS CA C 13 56.151 0.000 . 1 . . . . . 356 HIS CA . 50478 1 407 . 1 . 1 89 89 HIS CB C 13 30.234 0.000 . 1 . . . . . 356 HIS CB . 50478 1 408 . 1 . 1 89 89 HIS N N 15 121.352 0.097 . 1 . . . . . 356 HIS N . 50478 1 409 . 1 . 1 90 90 SER H H 1 8.294 0.005 . 1 . . . . . 357 SER H . 50478 1 410 . 1 . 1 90 90 SER C C 13 174.333 0.000 . 1 . . . . . 357 SER C . 50478 1 411 . 1 . 1 90 90 SER CA C 13 58.476 0.000 . 1 . . . . . 357 SER CA . 50478 1 412 . 1 . 1 90 90 SER CB C 13 63.736 0.000 . 1 . . . . . 357 SER CB . 50478 1 413 . 1 . 1 90 90 SER N N 15 116.710 0.020 . 1 . . . . . 357 SER N . 50478 1 414 . 1 . 1 91 91 ASN H H 1 8.662 0.004 . 1 . . . . . 358 ASN H . 50478 1 415 . 1 . 1 91 91 ASN C C 13 175.354 0.000 . 1 . . . . . 358 ASN C . 50478 1 416 . 1 . 1 91 91 ASN CA C 13 53.273 0.000 . 1 . . . . . 358 ASN CA . 50478 1 417 . 1 . 1 91 91 ASN CB C 13 38.594 0.000 . 1 . . . . . 358 ASN CB . 50478 1 418 . 1 . 1 91 91 ASN N N 15 121.244 0.016 . 1 . . . . . 358 ASN N . 50478 1 419 . 1 . 1 92 92 LEU H H 1 8.278 0.001 . 1 . . . . . 359 LEU H . 50478 1 420 . 1 . 1 92 92 LEU C C 13 177.999 0.000 . 1 . . . . . 359 LEU C . 50478 1 421 . 1 . 1 92 92 LEU CA C 13 55.438 0.000 . 1 . . . . . 359 LEU CA . 50478 1 422 . 1 . 1 92 92 LEU CB C 13 41.973 0.000 . 1 . . . . . 359 LEU CB . 50478 1 423 . 1 . 1 92 92 LEU N N 15 122.155 0.009 . 1 . . . . . 359 LEU N . 50478 1 424 . 1 . 1 93 93 GLY H H 1 8.468 0.003 . 1 . . . . . 360 GLY H . 50478 1 425 . 1 . 1 93 93 GLY C C 13 174.081 0.000 . 1 . . . . . 360 GLY C . 50478 1 426 . 1 . 1 93 93 GLY CA C 13 45.251 0.000 . 1 . . . . . 360 GLY CA . 50478 1 427 . 1 . 1 93 93 GLY N N 15 109.661 0.021 . 1 . . . . . 360 GLY N . 50478 1 428 . 1 . 1 94 94 VAL H H 1 7.989 0.001 . 1 . . . . . 361 VAL H . 50478 1 429 . 1 . 1 94 94 VAL C C 13 176.431 0.000 . 1 . . . . . 361 VAL C . 50478 1 430 . 1 . 1 94 94 VAL CA C 13 62.280 0.000 . 1 . . . . . 361 VAL CA . 50478 1 431 . 1 . 1 94 94 VAL CB C 13 32.745 0.000 . 1 . . . . . 361 VAL CB . 50478 1 432 . 1 . 1 94 94 VAL N N 15 119.804 0.004 . 1 . . . . . 361 VAL N . 50478 1 433 . 1 . 1 95 95 LYS H H 1 8.588 0.001 . 1 . . . . . 362 LYS H . 50478 1 434 . 1 . 1 95 95 LYS C C 13 176.370 0.000 . 1 . . . . . 362 LYS C . 50478 1 435 . 1 . 1 95 95 LYS CA C 13 56.102 0.000 . 1 . . . . . 362 LYS CA . 50478 1 436 . 1 . 1 95 95 LYS CB C 13 33.037 0.000 . 1 . . . . . 362 LYS CB . 50478 1 437 . 1 . 1 95 95 LYS N N 15 126.006 0.013 . 1 . . . . . 362 LYS N . 50478 1 438 . 1 . 1 96 96 ASP H H 1 8.470 0.001 . 1 . . . . . 363 ASP H . 50478 1 439 . 1 . 1 96 96 ASP C C 13 176.890 0.000 . 1 . . . . . 363 ASP C . 50478 1 440 . 1 . 1 96 96 ASP CA C 13 54.837 0.000 . 1 . . . . . 363 ASP CA . 50478 1 441 . 1 . 1 96 96 ASP CB C 13 41.123 0.000 . 1 . . . . . 363 ASP CB . 50478 1 442 . 1 . 1 96 96 ASP N N 15 122.344 0.003 . 1 . . . . . 363 ASP N . 50478 1 443 . 1 . 1 97 97 GLY H H 1 8.468 0.000 . 1 . . . . . 364 GLY H . 50478 1 444 . 1 . 1 97 97 GLY C C 13 174.278 0.000 . 1 . . . . . 364 GLY C . 50478 1 445 . 1 . 1 97 97 GLY CA C 13 45.483 0.000 . 1 . . . . . 364 GLY CA . 50478 1 446 . 1 . 1 97 97 GLY N N 15 109.880 0.010 . 1 . . . . . 364 GLY N . 50478 1 447 . 1 . 1 98 98 ASP H H 1 8.304 0.004 . 1 . . . . . 365 ASP H . 50478 1 448 . 1 . 1 98 98 ASP C C 13 176.906 0.000 . 1 . . . . . 365 ASP C . 50478 1 449 . 1 . 1 98 98 ASP CA C 13 54.378 0.000 . 1 . . . . . 365 ASP CA . 50478 1 450 . 1 . 1 98 98 ASP CB C 13 41.286 0.000 . 1 . . . . . 365 ASP CB . 50478 1 451 . 1 . 1 98 98 ASP N N 15 120.814 0.017 . 1 . . . . . 365 ASP N . 50478 1 452 . 1 . 1 99 99 SER H H 1 8.436 0.002 . 1 . . . . . 366 SER H . 50478 1 453 . 1 . 1 99 99 SER C C 13 175.402 0.000 . 1 . . . . . 366 SER C . 50478 1 454 . 1 . 1 99 99 SER CA C 13 59.084 0.000 . 1 . . . . . 366 SER CA . 50478 1 455 . 1 . 1 99 99 SER CB C 13 63.610 0.000 . 1 . . . . . 366 SER CB . 50478 1 456 . 1 . 1 99 99 SER N N 15 116.894 0.012 . 1 . . . . . 366 SER N . 50478 1 457 . 1 . 1 100 100 GLY H H 1 8.554 0.002 . 1 . . . . . 367 GLY H . 50478 1 458 . 1 . 1 100 100 GLY C C 13 174.191 0.000 . 1 . . . . . 367 GLY C . 50478 1 459 . 1 . 1 100 100 GLY CA C 13 45.365 0.000 . 1 . . . . . 367 GLY CA . 50478 1 460 . 1 . 1 100 100 GLY N N 15 110.830 0.016 . 1 . . . . . 367 GLY N . 50478 1 461 . 1 . 1 101 101 ARG H H 1 8.089 0.006 . 1 . . . . . 368 ARG H . 50478 1 462 . 1 . 1 101 101 ARG C C 13 176.797 0.000 . 1 . . . . . 368 ARG C . 50478 1 463 . 1 . 1 101 101 ARG CA C 13 56.140 0.000 . 1 . . . . . 368 ARG CA . 50478 1 464 . 1 . 1 101 101 ARG CB C 13 30.995 0.000 . 1 . . . . . 368 ARG CB . 50478 1 465 . 1 . 1 101 101 ARG N N 15 120.680 0.019 . 1 . . . . . 368 ARG N . 50478 1 466 . 1 . 1 102 102 THR H H 1 8.431 0.001 . 1 . . . . . 369 THR H . 50478 1 467 . 1 . 1 102 102 THR C C 13 173.970 0.000 . 1 . . . . . 369 THR C . 50478 1 468 . 1 . 1 102 102 THR CA C 13 61.698 0.000 . 1 . . . . . 369 THR CA . 50478 1 469 . 1 . 1 102 102 THR CB C 13 69.896 0.000 . 1 . . . . . 369 THR CB . 50478 1 470 . 1 . 1 102 102 THR N N 15 115.593 0.005 . 1 . . . . . 369 THR N . 50478 1 471 . 1 . 1 103 103 SER H H 1 8.041 0.003 . 1 . . . . . 370 SER H . 50478 1 472 . 1 . 1 103 103 SER C C 13 178.661 0.000 . 1 . . . . . 370 SER C . 50478 1 473 . 1 . 1 103 103 SER CA C 13 60.036 0.000 . 1 . . . . . 370 SER CA . 50478 1 474 . 1 . 1 103 103 SER CB C 13 64.693 0.000 . 1 . . . . . 370 SER CB . 50478 1 475 . 1 . 1 103 103 SER N N 15 123.528 0.027 . 1 . . . . . 370 SER N . 50478 1 stop_ save_