data_18265 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18265 _Entry.Title ; WIP C-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-15 _Entry.Accession_date 2012-02-15 _Entry.Last_release_date 2012-02-15 _Entry.Original_release_date 2012-02-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _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 'The C-terminal domain of WIP (residues 407-503), an intrinsically disordered protein' _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 Jiri Novacek . . . . 18265 2 Noam Haba . . . . 18265 3 Hadassa Shaked . . . . 18265 4 Jordan Chill . H. . . 18265 5 Lukas Zidek . . . . 18265 6 Vladimir Sklenar . . . . 18265 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Faculty of Science, NCBR, Masaryk University' . 18265 2 . 'Department of Chemistry, Bar Ilan University' . 18265 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18265 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 325 18265 '15N chemical shifts' 111 18265 '1H chemical shifts' 316 18265 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 . . 2019-08-29 . original BMRB . 18265 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18265 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23870269 _Citation.Full_citation . _Citation.Title ; NMR determines transient structure and dynamics in the disordered C-terminal domain of WASp interacting protein. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 105 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1542-0086 _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 481 _Citation.Page_last 493 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Noam Haba N. Y. . . 18265 1 2 Renana Gross R. . . . 18265 1 3 Jiri Novacek J. . . . 18265 1 4 Hadassa Shaked H. . . . 18265 1 5 Lukas Zidek L. . . . 18265 1 6 Mira Barda-Saad M. . . . 18265 1 7 Jordan Chill J. H. . . 18265 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18265 _Assembly.ID 1 _Assembly.Name 'WIP C-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12841.0 _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 WIPc 1 $WIPc A . yes 'intrinsically disordered' no no . . . 18265 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_WIPc _Entity.Sf_category entity _Entity.Sf_framecode WIPc _Entity.Entry_ID 18265 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name WIPc _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 ; GSSHHHHHHVDSPRSGPRPP LPPDRPSAGAPPPPPPSTSI RNGFQDSPCEDEWESRFYFH PISDLPPPEPYVQTTKSYPS KLARNESRSSSNRRERGAPP LPPIPRLEHHHHHH ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12841.0 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Binding partner of the Wiskott-Aldrich Syndrome protein (WASp)' 18265 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 1 398 GLY . 18265 1 2 399 SER . 18265 1 3 400 SER . 18265 1 4 401 HIS . 18265 1 5 402 HIS . 18265 1 6 403 HIS . 18265 1 7 404 HIS . 18265 1 8 405 HIS . 18265 1 9 406 HIS . 18265 1 10 407 VAL . 18265 1 11 408 ASP . 18265 1 12 409 SER . 18265 1 13 410 PRO . 18265 1 14 411 ARG . 18265 1 15 412 SER . 18265 1 16 413 GLY . 18265 1 17 414 PRO . 18265 1 18 415 ARG . 18265 1 19 416 PRO . 18265 1 20 417 PRO . 18265 1 21 418 LEU . 18265 1 22 419 PRO . 18265 1 23 420 PRO . 18265 1 24 421 ASP . 18265 1 25 422 ARG . 18265 1 26 423 PRO . 18265 1 27 424 SER . 18265 1 28 425 ALA . 18265 1 29 426 GLY . 18265 1 30 427 ALA . 18265 1 31 428 PRO . 18265 1 32 429 PRO . 18265 1 33 430 PRO . 18265 1 34 431 PRO . 18265 1 35 432 PRO . 18265 1 36 433 PRO . 18265 1 37 434 SER . 18265 1 38 435 THR . 18265 1 39 436 SER . 18265 1 40 437 ILE . 18265 1 41 438 ARG . 18265 1 42 439 ASN . 18265 1 43 440 GLY . 18265 1 44 441 PHE . 18265 1 45 442 GLN . 18265 1 46 443 ASP . 18265 1 47 444 SER . 18265 1 48 445 PRO . 18265 1 49 446 CYS . 18265 1 50 447 GLU . 18265 1 51 448 ASP . 18265 1 52 449 GLU . 18265 1 53 450 TRP . 18265 1 54 451 GLU . 18265 1 55 452 SER . 18265 1 56 453 ARG . 18265 1 57 454 PHE . 18265 1 58 455 TYR . 18265 1 59 456 PHE . 18265 1 60 457 HIS . 18265 1 61 458 PRO . 18265 1 62 459 ILE . 18265 1 63 460 SER . 18265 1 64 461 ASP . 18265 1 65 462 LEU . 18265 1 66 463 PRO . 18265 1 67 464 PRO . 18265 1 68 465 PRO . 18265 1 69 466 GLU . 18265 1 70 467 PRO . 18265 1 71 468 TYR . 18265 1 72 469 VAL . 18265 1 73 470 GLN . 18265 1 74 471 THR . 18265 1 75 472 THR . 18265 1 76 473 LYS . 18265 1 77 474 SER . 18265 1 78 475 TYR . 18265 1 79 476 PRO . 18265 1 80 477 SER . 18265 1 81 478 LYS . 18265 1 82 479 LEU . 18265 1 83 480 ALA . 18265 1 84 481 ARG . 18265 1 85 482 ASN . 18265 1 86 483 GLU . 18265 1 87 484 SER . 18265 1 88 485 ARG . 18265 1 89 486 SER . 18265 1 90 487 GLY . 18265 1 91 488 SER . 18265 1 92 489 ASN . 18265 1 93 490 ARG . 18265 1 94 491 ARG . 18265 1 95 492 GLU . 18265 1 96 493 ARG . 18265 1 97 494 GLY . 18265 1 98 495 ALA . 18265 1 99 496 PRO . 18265 1 100 497 PRO . 18265 1 101 498 LEU . 18265 1 102 499 PRO . 18265 1 103 500 PRO . 18265 1 104 501 ILE . 18265 1 105 502 PRO . 18265 1 106 503 ARG . 18265 1 107 504 LEU . 18265 1 108 505 GLU . 18265 1 109 506 HIS . 18265 1 110 507 HIS . 18265 1 111 508 HIS . 18265 1 112 509 HIS . 18265 1 113 510 HIS . 18265 1 114 511 HIS . 18265 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 18265 1 . SER 2 2 18265 1 . SER 3 3 18265 1 . HIS 4 4 18265 1 . HIS 5 5 18265 1 . HIS 6 6 18265 1 . HIS 7 7 18265 1 . HIS 8 8 18265 1 . HIS 9 9 18265 1 . VAL 10 10 18265 1 . ASP 11 11 18265 1 . SER 12 12 18265 1 . PRO 13 13 18265 1 . ARG 14 14 18265 1 . SER 15 15 18265 1 . GLY 16 16 18265 1 . PRO 17 17 18265 1 . ARG 18 18 18265 1 . PRO 19 19 18265 1 . PRO 20 20 18265 1 . LEU 21 21 18265 1 . PRO 22 22 18265 1 . PRO 23 23 18265 1 . ASP 24 24 18265 1 . ARG 25 25 18265 1 . PRO 26 26 18265 1 . SER 27 27 18265 1 . ALA 28 28 18265 1 . GLY 29 29 18265 1 . ALA 30 30 18265 1 . PRO 31 31 18265 1 . PRO 32 32 18265 1 . PRO 33 33 18265 1 . PRO 34 34 18265 1 . PRO 35 35 18265 1 . PRO 36 36 18265 1 . SER 37 37 18265 1 . THR 38 38 18265 1 . SER 39 39 18265 1 . ILE 40 40 18265 1 . ARG 41 41 18265 1 . ASN 42 42 18265 1 . GLY 43 43 18265 1 . PHE 44 44 18265 1 . GLN 45 45 18265 1 . ASP 46 46 18265 1 . SER 47 47 18265 1 . PRO 48 48 18265 1 . CYS 49 49 18265 1 . GLU 50 50 18265 1 . ASP 51 51 18265 1 . GLU 52 52 18265 1 . TRP 53 53 18265 1 . GLU 54 54 18265 1 . SER 55 55 18265 1 . ARG 56 56 18265 1 . PHE 57 57 18265 1 . TYR 58 58 18265 1 . PHE 59 59 18265 1 . HIS 60 60 18265 1 . PRO 61 61 18265 1 . ILE 62 62 18265 1 . SER 63 63 18265 1 . ASP 64 64 18265 1 . LEU 65 65 18265 1 . PRO 66 66 18265 1 . PRO 67 67 18265 1 . PRO 68 68 18265 1 . GLU 69 69 18265 1 . PRO 70 70 18265 1 . TYR 71 71 18265 1 . VAL 72 72 18265 1 . GLN 73 73 18265 1 . THR 74 74 18265 1 . THR 75 75 18265 1 . LYS 76 76 18265 1 . SER 77 77 18265 1 . TYR 78 78 18265 1 . PRO 79 79 18265 1 . SER 80 80 18265 1 . LYS 81 81 18265 1 . LEU 82 82 18265 1 . ALA 83 83 18265 1 . ARG 84 84 18265 1 . ASN 85 85 18265 1 . GLU 86 86 18265 1 . SER 87 87 18265 1 . ARG 88 88 18265 1 . SER 89 89 18265 1 . GLY 90 90 18265 1 . SER 91 91 18265 1 . ASN 92 92 18265 1 . ARG 93 93 18265 1 . ARG 94 94 18265 1 . GLU 95 95 18265 1 . ARG 96 96 18265 1 . GLY 97 97 18265 1 . ALA 98 98 18265 1 . PRO 99 99 18265 1 . PRO 100 100 18265 1 . LEU 101 101 18265 1 . PRO 102 102 18265 1 . PRO 103 103 18265 1 . ILE 104 104 18265 1 . PRO 105 105 18265 1 . ARG 106 106 18265 1 . LEU 107 107 18265 1 . GLU 108 108 18265 1 . HIS 109 109 18265 1 . HIS 110 110 18265 1 . HIS 111 111 18265 1 . HIS 112 112 18265 1 . HIS 113 113 18265 1 . HIS 114 114 18265 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18265 _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 $WIPc . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 18265 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 18265 _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 $WIPc . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . pET28a . . . 18265 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18265 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N-labeled WIPc' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 WIPc '[U-98% 13C; U-98% 15N]' . . 1 $WIPc . . 1.0 . . mM 0.03 . . . 18265 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18265 1 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 18265 1 4 beta-mercaptoethanol 'natural abundance' . . . . . . 10 . . mM . . . . 18265 1 5 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 18265 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18265 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 18265 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.06 2 M 18265 1 pH 5.1 0.1 pH 18265 1 pressure 1 . atm 18265 1 temperature 298 1 K 18265 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18265 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18265 1 Goddard . . 18265 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 18265 1 . 'peak picking' 18265 1 . processing 18265 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18265 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18265 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18265 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 18265 1 2 spectrometer_2 Bruker DRX . 700 . . . 18265 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18265 _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 CON no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18265 1 2 '3D C_CANCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18265 1 3 '3D C_CBCACON' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18265 1 4 '3D C_CBCANCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18265 1 5 '5D C_CACONCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18265 1 6 '5D C_NCOCANCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18265 1 7 '4D C_HabCabCON' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18265 1 8 '4D C_HabCabNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18265 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18265 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.25144953 . . . . . 18265 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 na direct 1 . . . . . 18265 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 18265 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18265 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.004 _Assigned_chem_shift_list.Chem_shift_13C_err 0.08 _Assigned_chem_shift_list.Chem_shift_15N_err 0.08 _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 3 '3D C_CBCACON' . . . 18265 1 4 '3D C_CBCANCO' . . . 18265 1 5 '5D C_CACONCACO' . . . 18265 1 6 '5D C_NCOCANCO' . . . 18265 1 7 '4D C_HabCabCON' . . . 18265 1 8 '4D C_HabCabNCO' . . . 18265 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 GLY HA2 H 1 3.896 0.004 . 1 . . . . . 398 GLY QA . 18265 1 2 . 1 1 1 1 GLY HA3 H 1 3.896 0.004 . 1 . . . . . 398 GLY QA . 18265 1 3 . 1 1 1 1 GLY C C 13 170.321 0.004 . 1 . . . . . 398 GLY C . 18265 1 4 . 1 1 1 1 GLY CA C 13 43.405 0.08 . 1 . . . . . 398 GLY CA . 18265 1 5 . 1 1 1 1 GLY N N 15 115.675 0.04 . 1 . . . . . 398 GLY N . 18265 1 6 . 1 1 2 2 SER HA H 1 4.541 0.004 . 1 . . . . . 399 SER HA . 18265 1 7 . 1 1 2 2 SER HB2 H 1 3.827 0.004 . 1 . . . . . 399 SER QB . 18265 1 8 . 1 1 2 2 SER HB3 H 1 3.827 0.004 . 1 . . . . . 399 SER QB . 18265 1 9 . 1 1 2 2 SER C C 13 174.567 0.001 . 1 . . . . . 399 SER C . 18265 1 10 . 1 1 2 2 SER CA C 13 58.214 0.036 . 1 . . . . . 399 SER CA . 18265 1 11 . 1 1 2 2 SER CB C 13 64.059 0.08 . 1 . . . . . 399 SER CB . 18265 1 12 . 1 1 2 2 SER N N 15 115.626 0.004 . 1 . . . . . 399 SER N . 18265 1 13 . 1 1 3 3 SER HA H 1 4.389 0.004 . 1 . . . . . 400 SER HA . 18265 1 14 . 1 1 3 3 SER HB2 H 1 3.767 0.004 . 1 . . . . . 400 SER QB . 18265 1 15 . 1 1 3 3 SER HB3 H 1 3.767 0.004 . 1 . . . . . 400 SER QB . 18265 1 16 . 1 1 3 3 SER C C 13 174.334 0.011 . 1 . . . . . 400 SER C . 18265 1 17 . 1 1 3 3 SER CA C 13 58.385 0.064 . 1 . . . . . 400 SER CA . 18265 1 18 . 1 1 3 3 SER CB C 13 63.751 0.08 . 1 . . . . . 400 SER CB . 18265 1 19 . 1 1 3 3 SER N N 15 117.945 0.02 . 1 . . . . . 400 SER N . 18265 1 20 . 1 1 4 4 HIS C C 13 174.229 0.08 . 1 . . . . . 401 HIS C . 18265 1 21 . 1 1 4 4 HIS CA C 13 55.279 0.08 . 1 . . . . . 401 HIS CA . 18265 1 22 . 1 1 4 4 HIS N N 15 120.297 0.006 . 1 . . . . . 401 HIS N . 18265 1 23 . 1 1 8 8 HIS HA H 1 4.654 0.004 . 1 . . . . . 405 HIS HA . 18265 1 24 . 1 1 8 8 HIS HB2 H 1 3.136 0.004 . 1 . . . . . 405 HIS QB . 18265 1 25 . 1 1 8 8 HIS HB3 H 1 3.136 0.004 . 1 . . . . . 405 HIS QB . 18265 1 26 . 1 1 8 8 HIS C C 13 174.036 0.023 . 1 . . . . . 405 HIS C . 18265 1 27 . 1 1 8 8 HIS CA C 13 55.522 0.036 . 1 . . . . . 405 HIS CA . 18265 1 28 . 1 1 8 8 HIS CB C 13 29.479 0.08 . 1 . . . . . 405 HIS CB . 18265 1 29 . 1 1 8 8 HIS N N 15 121.076 0.04 . 1 . . . . . 405 HIS N . 18265 1 30 . 1 1 9 9 HIS HA H 1 4.596 0.004 . 1 . . . . . 406 HIS HA . 18265 1 31 . 1 1 9 9 HIS HB2 H 1 3.138 0.004 . 1 . . . . . 406 HIS QB . 18265 1 32 . 1 1 9 9 HIS HB3 H 1 3.138 0.004 . 1 . . . . . 406 HIS QB . 18265 1 33 . 1 1 9 9 HIS C C 13 173.992 0.028 . 1 . . . . . 406 HIS C . 18265 1 34 . 1 1 9 9 HIS CA C 13 55.876 0.014 . 1 . . . . . 406 HIS CA . 18265 1 35 . 1 1 9 9 HIS CB C 13 29.395 0.08 . 1 . . . . . 406 HIS CB . 18265 1 36 . 1 1 9 9 HIS N N 15 122.004 0.05 . 1 . . . . . 406 HIS N . 18265 1 37 . 1 1 10 10 VAL HA H 1 4.067 0.004 . 1 . . . . . 407 VAL HA . 18265 1 38 . 1 1 10 10 VAL HB H 1 1.948 0.004 . 1 . . . . . 407 VAL HB . 18265 1 39 . 1 1 10 10 VAL C C 13 175.344 0.005 . 1 . . . . . 407 VAL C . 18265 1 40 . 1 1 10 10 VAL CA C 13 61.863 0.012 . 1 . . . . . 407 VAL CA . 18265 1 41 . 1 1 10 10 VAL CB C 13 33.084 0.08 . 1 . . . . . 407 VAL CB . 18265 1 42 . 1 1 10 10 VAL N N 15 123.363 0.08 . 1 . . . . . 407 VAL N . 18265 1 43 . 1 1 11 11 ASP HA H 1 4.654 0.004 . 1 . . . . . 408 ASP HA . 18265 1 44 . 1 1 11 11 ASP HB2 H 1 2.646 0.004 . 1 . . . . . 408 ASP HB2 . 18265 1 45 . 1 1 11 11 ASP HB3 H 1 2.562 0.004 . 1 . . . . . 408 ASP HB3 . 18265 1 46 . 1 1 11 11 ASP C C 13 175.802 0.002 . 1 . . . . . 408 ASP C . 18265 1 47 . 1 1 11 11 ASP CA C 13 54.298 0.034 . 1 . . . . . 408 ASP CA . 18265 1 48 . 1 1 11 11 ASP CB C 13 41.473 0.08 . 1 . . . . . 408 ASP CB . 18265 1 49 . 1 1 11 11 ASP N N 15 125.228 0.054 . 1 . . . . . 408 ASP N . 18265 1 50 . 1 1 12 12 SER HA H 1 4.706 0.004 . 1 . . . . . 409 SER HA . 18265 1 51 . 1 1 12 12 SER HB2 H 1 3.803 0.004 . 1 . . . . . 409 SER QB . 18265 1 52 . 1 1 12 12 SER HB3 H 1 3.803 0.004 . 1 . . . . . 409 SER QB . 18265 1 53 . 1 1 12 12 SER C C 13 172.622 0.002 . 1 . . . . . 409 SER C . 18265 1 54 . 1 1 12 12 SER CA C 13 56.472 0.013 . 1 . . . . . 409 SER CA . 18265 1 55 . 1 1 12 12 SER CB C 13 63.338 0.08 . 1 . . . . . 409 SER CB . 18265 1 56 . 1 1 12 12 SER N N 15 117.7 0.048 . 1 . . . . . 409 SER N . 18265 1 57 . 1 1 13 13 PRO HA H 1 4.43 0.004 . 1 . . . . . 410 PRO HA . 18265 1 58 . 1 1 13 13 PRO HB2 H 1 2.271 0.004 . 1 . . . . . 410 PRO HB2 . 18265 1 59 . 1 1 13 13 PRO HB3 H 1 1.872 0.004 . 1 . . . . . 410 PRO HB3 . 18265 1 60 . 1 1 13 13 PRO C C 13 177.021 0.001 . 1 . . . . . 410 PRO C . 18265 1 61 . 1 1 13 13 PRO CA C 13 63.346 0.017 . 1 . . . . . 410 PRO CA . 18265 1 62 . 1 1 13 13 PRO CB C 13 32.071 0.025 . 1 . . . . . 410 PRO CB . 18265 1 63 . 1 1 13 13 PRO N N 15 138.047 0.011 . 1 . . . . . 410 PRO N . 18265 1 64 . 1 1 14 14 ARG HA H 1 4.337 0.004 . 1 . . . . . 411 ARG HA . 18265 1 65 . 1 1 14 14 ARG HB2 H 1 1.827 0.004 . 1 . . . . . 411 ARG QB . 18265 1 66 . 1 1 14 14 ARG HB3 H 1 1.827 0.004 . 1 . . . . . 411 ARG QB . 18265 1 67 . 1 1 14 14 ARG C C 13 176.384 0.004 . 1 . . . . . 411 ARG C . 18265 1 68 . 1 1 14 14 ARG CA C 13 56.18 0.016 . 1 . . . . . 411 ARG CA . 18265 1 69 . 1 1 14 14 ARG CB C 13 30.764 0.08 . 1 . . . . . 411 ARG CB . 18265 1 70 . 1 1 14 14 ARG N N 15 121.431 0.024 . 1 . . . . . 411 ARG N . 18265 1 71 . 1 1 15 15 SER HA H 1 4.522 0.004 . 1 . . . . . 412 SER HA . 18265 1 72 . 1 1 15 15 SER HB2 H 1 3.864 0.004 . 1 . . . . . 412 SER QB . 18265 1 73 . 1 1 15 15 SER HB3 H 1 3.864 0.004 . 1 . . . . . 412 SER QB . 18265 1 74 . 1 1 15 15 SER C C 13 174.49 0.002 . 1 . . . . . 412 SER C . 18265 1 75 . 1 1 15 15 SER CA C 13 58.193 0.013 . 1 . . . . . 412 SER CA . 18265 1 76 . 1 1 15 15 SER CB C 13 64.128 0.08 . 1 . . . . . 412 SER CB . 18265 1 77 . 1 1 15 15 SER N N 15 116.905 0.045 . 1 . . . . . 412 SER N . 18265 1 78 . 1 1 16 16 GLY HA2 H 1 4.095 0.004 . 1 . . . . . 413 GLY QA . 18265 1 79 . 1 1 16 16 GLY HA3 H 1 4.095 0.004 . 1 . . . . . 413 GLY QA . 18265 1 80 . 1 1 16 16 GLY C C 13 171.495 0.002 . 1 . . . . . 413 GLY C . 18265 1 81 . 1 1 16 16 GLY CA C 13 44.598 0.003 . 1 . . . . . 413 GLY CA . 18265 1 82 . 1 1 16 16 GLY N N 15 110.716 0.047 . 1 . . . . . 413 GLY N . 18265 1 83 . 1 1 17 17 PRO HA H 1 4.422 0.004 . 1 . . . . . 414 PRO HA . 18265 1 84 . 1 1 17 17 PRO HB2 H 1 2.225 0.004 . 1 . . . . . 414 PRO HB2 . 18265 1 85 . 1 1 17 17 PRO HB3 H 1 1.853 0.004 . 1 . . . . . 414 PRO HB3 . 18265 1 86 . 1 1 17 17 PRO C C 13 176.917 0.001 . 1 . . . . . 414 PRO C . 18265 1 87 . 1 1 17 17 PRO CA C 13 62.988 0.006 . 1 . . . . . 414 PRO CA . 18265 1 88 . 1 1 17 17 PRO CB C 13 32.199 0.087 . 1 . . . . . 414 PRO CB . 18265 1 89 . 1 1 17 17 PRO N N 15 134.265 0.024 . 1 . . . . . 414 PRO N . 18265 1 90 . 1 1 18 18 ARG HA H 1 4.559 0.004 . 1 . . . . . 415 ARG HA . 18265 1 91 . 1 1 18 18 ARG HB2 H 1 1.688 0.004 . 1 . . . . . 415 ARG QB . 18265 1 92 . 1 1 18 18 ARG HB3 H 1 1.688 0.004 . 1 . . . . . 415 ARG QB . 18265 1 93 . 1 1 18 18 ARG C C 13 173.888 0.005 . 1 . . . . . 415 ARG C . 18265 1 94 . 1 1 18 18 ARG CA C 13 53.897 0.034 . 1 . . . . . 415 ARG CA . 18265 1 95 . 1 1 18 18 ARG CB C 13 30.145 0.08 . 1 . . . . . 415 ARG CB . 18265 1 96 . 1 1 18 18 ARG N N 15 122.792 0.018 . 1 . . . . . 415 ARG N . 18265 1 97 . 1 1 19 19 PRO HA H 1 4.652 0.004 . 1 . . . . . 416 PRO HA . 18265 1 98 . 1 1 19 19 PRO HB2 H 1 2.316 0.004 . 1 . . . . . 416 PRO HB2 . 18265 1 99 . 1 1 19 19 PRO HB3 H 1 1.847 0.004 . 1 . . . . . 416 PRO HB3 . 18265 1 100 . 1 1 19 19 PRO C C 13 174.588 0.001 . 1 . . . . . 416 PRO C . 18265 1 101 . 1 1 19 19 PRO CA C 13 61.481 0.021 . 1 . . . . . 416 PRO CA . 18265 1 102 . 1 1 19 19 PRO CB C 13 30.872 0.033 . 1 . . . . . 416 PRO CB . 18265 1 103 . 1 1 19 19 PRO N N 15 138.617 0.006 . 1 . . . . . 416 PRO N . 18265 1 104 . 1 1 20 20 PRO HA H 1 4.395 0.004 . 1 . . . . . 417 PRO HA . 18265 1 105 . 1 1 20 20 PRO HB2 H 1 2.215 0.004 . 1 . . . . . 417 PRO HB2 . 18265 1 106 . 1 1 20 20 PRO HB3 H 1 1.859 0.004 . 1 . . . . . 417 PRO HB3 . 18265 1 107 . 1 1 20 20 PRO C C 13 176.651 0.01 . 1 . . . . . 417 PRO C . 18265 1 108 . 1 1 20 20 PRO CA C 13 62.723 0.011 . 1 . . . . . 417 PRO CA . 18265 1 109 . 1 1 20 20 PRO CB C 13 31.96 0.017 . 1 . . . . . 417 PRO CB . 18265 1 110 . 1 1 20 20 PRO N N 15 134.953 0.015 . 1 . . . . . 417 PRO N . 18265 1 111 . 1 1 21 21 LEU HA H 1 4.549 0.004 . 1 . . . . . 418 LEU HA . 18265 1 112 . 1 1 21 21 LEU HB2 H 1 1.509 0.004 . 1 . . . . . 418 LEU QB . 18265 1 113 . 1 1 21 21 LEU HB3 H 1 1.509 0.004 . 1 . . . . . 418 LEU QB . 18265 1 114 . 1 1 21 21 LEU C C 13 174.943 0.08 . 1 . . . . . 418 LEU C . 18265 1 115 . 1 1 21 21 LEU CA C 13 52.911 0.037 . 1 . . . . . 418 LEU CA . 18265 1 116 . 1 1 21 21 LEU CB C 13 41.713 0.08 . 1 . . . . . 418 LEU CB . 18265 1 117 . 1 1 21 21 LEU N N 15 123.581 0.01 . 1 . . . . . 418 LEU N . 18265 1 118 . 1 1 22 22 PRO HA H 1 4.667 0.004 . 1 . . . . . 419 PRO HA . 18265 1 119 . 1 1 22 22 PRO HB2 H 1 2.316 0.004 . 1 . . . . . 419 PRO HB2 . 18265 1 120 . 1 1 22 22 PRO HB3 H 1 1.872 0.004 . 1 . . . . . 419 PRO HB3 . 18265 1 121 . 1 1 22 22 PRO C C 13 174.938 0.002 . 1 . . . . . 419 PRO C . 18265 1 122 . 1 1 22 22 PRO CA C 13 61.472 0.026 . 1 . . . . . 419 PRO CA . 18265 1 123 . 1 1 22 22 PRO CB C 13 30.846 0.009 . 1 . . . . . 419 PRO CB . 18265 1 124 . 1 1 22 22 PRO N N 15 137.432 0.015 . 1 . . . . . 419 PRO N . 18265 1 125 . 1 1 23 23 PRO HA H 1 4.42 0.004 . 1 . . . . . 420 PRO HA . 18265 1 126 . 1 1 23 23 PRO HB2 H 1 2.256 0.004 . 1 . . . . . 420 PRO HB2 . 18265 1 127 . 1 1 23 23 PRO HB3 H 1 1.897 0.004 . 1 . . . . . 420 PRO HB3 . 18265 1 128 . 1 1 23 23 PRO C C 13 176.649 0.001 . 1 . . . . . 420 PRO C . 18265 1 129 . 1 1 23 23 PRO CA C 13 63.02 0.024 . 1 . . . . . 420 PRO CA . 18265 1 130 . 1 1 23 23 PRO CB C 13 31.965 0.039 . 1 . . . . . 420 PRO CB . 18265 1 131 . 1 1 23 23 PRO N N 15 134.863 0.002 . 1 . . . . . 420 PRO N . 18265 1 132 . 1 1 24 24 ASP HA H 1 4.534 0.004 . 1 . . . . . 421 ASP HA . 18265 1 133 . 1 1 24 24 ASP HB2 H 1 2.609 0.004 . 1 . . . . . 421 ASP QB . 18265 1 134 . 1 1 24 24 ASP HB3 H 1 2.609 0.004 . 1 . . . . . 421 ASP QB . 18265 1 135 . 1 1 24 24 ASP C C 13 175.793 0.01 . 1 . . . . . 421 ASP C . 18265 1 136 . 1 1 24 24 ASP CA C 13 54.193 0.028 . 1 . . . . . 421 ASP CA . 18265 1 137 . 1 1 24 24 ASP CB C 13 40.962 0.08 . 1 . . . . . 421 ASP CB . 18265 1 138 . 1 1 24 24 ASP N N 15 120.016 0.017 . 1 . . . . . 421 ASP N . 18265 1 139 . 1 1 25 25 ARG HA H 1 4.607 0.004 . 1 . . . . . 422 ARG HA . 18265 1 140 . 1 1 25 25 ARG HB2 H 1 1.734 0.004 . 1 . . . . . 422 ARG QB . 18265 1 141 . 1 1 25 25 ARG HB3 H 1 1.734 0.004 . 1 . . . . . 422 ARG QB . 18265 1 142 . 1 1 25 25 ARG C C 13 174.024 0.002 . 1 . . . . . 422 ARG C . 18265 1 143 . 1 1 25 25 ARG CA C 13 53.764 0.015 . 1 . . . . . 422 ARG CA . 18265 1 144 . 1 1 25 25 ARG CB C 13 30.338 0.08 . 1 . . . . . 422 ARG CB . 18265 1 145 . 1 1 25 25 ARG N N 15 121.51 0.034 . 1 . . . . . 422 ARG N . 18265 1 146 . 1 1 26 26 PRO HA H 1 4.446 0.004 . 1 . . . . . 423 PRO HA . 18265 1 147 . 1 1 26 26 PRO HB2 H 1 2.312 0.004 . 1 . . . . . 423 PRO HB2 . 18265 1 148 . 1 1 26 26 PRO HB3 H 1 1.904 0.004 . 1 . . . . . 423 PRO HB3 . 18265 1 149 . 1 1 26 26 PRO C C 13 177.069 0.001 . 1 . . . . . 423 PRO C . 18265 1 150 . 1 1 26 26 PRO CA C 13 63.241 0.014 . 1 . . . . . 423 PRO CA . 18265 1 151 . 1 1 26 26 PRO CB C 13 32.163 0.007 . 1 . . . . . 423 PRO CB . 18265 1 152 . 1 1 26 26 PRO N N 15 137.08 0.04 . 1 . . . . . 423 PRO N . 18265 1 153 . 1 1 27 27 SER HA H 1 4.374 0.004 . 1 . . . . . 424 SER HA . 18265 1 154 . 1 1 27 27 SER HB2 H 1 3.853 0.004 . 1 . . . . . 424 SER QB . 18265 1 155 . 1 1 27 27 SER HB3 H 1 3.853 0.004 . 1 . . . . . 424 SER QB . 18265 1 156 . 1 1 27 27 SER C C 13 174.486 0.08 . 1 . . . . . 424 SER C . 18265 1 157 . 1 1 27 27 SER CA C 13 58.364 0.025 . 1 . . . . . 424 SER CA . 18265 1 158 . 1 1 27 27 SER CB C 13 63.871 0.08 . 1 . . . . . 424 SER CB . 18265 1 159 . 1 1 27 27 SER N N 15 116.292 0.038 . 1 . . . . . 424 SER N . 18265 1 160 . 1 1 28 28 ALA HA H 1 4.342 0.004 . 1 . . . . . 425 ALA HA . 18265 1 161 . 1 1 28 28 ALA HB1 H 1 1.4 0.004 . 1 . . . . . 425 ALA MB . 18265 1 162 . 1 1 28 28 ALA HB2 H 1 1.4 0.004 . 1 . . . . . 425 ALA MB . 18265 1 163 . 1 1 28 28 ALA HB3 H 1 1.4 0.004 . 1 . . . . . 425 ALA MB . 18265 1 164 . 1 1 28 28 ALA C C 13 178.056 0.001 . 1 . . . . . 425 ALA C . 18265 1 165 . 1 1 28 28 ALA CA C 13 52.73 0.015 . 1 . . . . . 425 ALA CA . 18265 1 166 . 1 1 28 28 ALA CB C 13 19.289 0.08 . 1 . . . . . 425 ALA CB . 18265 1 167 . 1 1 28 28 ALA N N 15 126.09 0.017 . 1 . . . . . 425 ALA N . 18265 1 168 . 1 1 29 29 GLY HA2 H 1 3.909 0.004 . 1 . . . . . 426 GLY QA . 18265 1 169 . 1 1 29 29 GLY HA3 H 1 3.909 0.004 . 1 . . . . . 426 GLY QA . 18265 1 170 . 1 1 29 29 GLY C C 13 173.348 0.001 . 1 . . . . . 426 GLY C . 18265 1 171 . 1 1 29 29 GLY CA C 13 44.959 0.006 . 1 . . . . . 426 GLY CA . 18265 1 172 . 1 1 29 29 GLY N N 15 108.198 0.051 . 1 . . . . . 426 GLY N . 18265 1 173 . 1 1 30 30 ALA HA H 1 4.559 0.004 . 1 . . . . . 427 ALA HA . 18265 1 174 . 1 1 30 30 ALA HB1 H 1 1.307 0.004 . 1 . . . . . 427 ALA MB . 18265 1 175 . 1 1 30 30 ALA HB2 H 1 1.307 0.004 . 1 . . . . . 427 ALA MB . 18265 1 176 . 1 1 30 30 ALA HB3 H 1 1.307 0.004 . 1 . . . . . 427 ALA MB . 18265 1 177 . 1 1 30 30 ALA C C 13 175.113 0.016 . 1 . . . . . 427 ALA C . 18265 1 178 . 1 1 30 30 ALA CA C 13 50.402 0.015 . 1 . . . . . 427 ALA CA . 18265 1 179 . 1 1 30 30 ALA CB C 13 18.218 0.08 . 1 . . . . . 427 ALA CB . 18265 1 180 . 1 1 30 30 ALA N N 15 124.871 0.013 . 1 . . . . . 427 ALA N . 18265 1 181 . 1 1 31 31 PRO HA H 1 4.636 0.004 . 1 . . . . . 428 PRO HA . 18265 1 182 . 1 1 31 31 PRO HB2 H 1 2.265 0.004 . 1 . . . . . 428 PRO HB2 . 18265 1 183 . 1 1 31 31 PRO HB3 H 1 1.822 0.004 . 1 . . . . . 428 PRO HB3 . 18265 1 184 . 1 1 31 31 PRO C C 13 174.253 0.002 . 1 . . . . . 428 PRO C . 18265 1 185 . 1 1 31 31 PRO CA C 13 61.335 0.012 . 1 . . . . . 428 PRO CA . 18265 1 186 . 1 1 31 31 PRO CB C 13 30.699 0.061 . 1 . . . . . 428 PRO CB . 18265 1 187 . 1 1 31 31 PRO N N 15 137.243 0.008 . 1 . . . . . 428 PRO N . 18265 1 188 . 1 1 32 32 PRO HA H 1 4.677 0.004 . 1 . . . . . 429 PRO HA . 18265 1 189 . 1 1 32 32 PRO HB2 H 1 2.305 0.004 . 1 . . . . . 429 PRO HB2 . 18265 1 190 . 1 1 32 32 PRO HB3 H 1 1.869 0.004 . 1 . . . . . 429 PRO HB3 . 18265 1 191 . 1 1 32 32 PRO C C 13 174.221 0.002 . 1 . . . . . 429 PRO C . 18265 1 192 . 1 1 32 32 PRO CA C 13 61.248 0.032 . 1 . . . . . 429 PRO CA . 18265 1 193 . 1 1 32 32 PRO CB C 13 30.612 0.008 . 1 . . . . . 429 PRO CB . 18265 1 194 . 1 1 32 32 PRO N N 15 136.661 0.037 . 1 . . . . . 429 PRO N . 18265 1 195 . 1 1 33 33 PRO HA H 1 4.684 0.004 . 1 . . . . . 430 PRO HA . 18265 1 196 . 1 1 33 33 PRO HB2 H 1 2.305 0.004 . 1 . . . . . 430 PRO HB2 . 18265 1 197 . 1 1 33 33 PRO HB3 H 1 1.871 0.004 . 1 . . . . . 430 PRO HB3 . 18265 1 198 . 1 1 33 33 PRO C C 13 174.257 0.004 . 1 . . . . . 430 PRO C . 18265 1 199 . 1 1 33 33 PRO CA C 13 61.215 0.035 . 1 . . . . . 430 PRO CA . 18265 1 200 . 1 1 33 33 PRO CB C 13 30.615 0.02 . 1 . . . . . 430 PRO CB . 18265 1 201 . 1 1 33 33 PRO N N 15 136.327 0.005 . 1 . . . . . 430 PRO N . 18265 1 202 . 1 1 34 34 PRO HA H 1 4.694 0.004 . 1 . . . . . 431 PRO HA . 18265 1 203 . 1 1 34 34 PRO HB2 H 1 2.311 0.004 . 1 . . . . . 431 PRO HB2 . 18265 1 204 . 1 1 34 34 PRO HB3 H 1 1.877 0.004 . 1 . . . . . 431 PRO HB3 . 18265 1 205 . 1 1 34 34 PRO C C 13 174.267 0.002 . 1 . . . . . 431 PRO C . 18265 1 206 . 1 1 34 34 PRO CA C 13 61.221 0.015 . 1 . . . . . 431 PRO CA . 18265 1 207 . 1 1 34 34 PRO CB C 13 30.619 0.026 . 1 . . . . . 431 PRO CB . 18265 1 208 . 1 1 34 34 PRO N N 15 136.305 0.03 . 1 . . . . . 431 PRO N . 18265 1 209 . 1 1 35 35 PRO HA H 1 4.675 0.004 . 1 . . . . . 432 PRO HA . 18265 1 210 . 1 1 35 35 PRO HB2 H 1 2.318 0.004 . 1 . . . . . 432 PRO HB2 . 18265 1 211 . 1 1 35 35 PRO HB3 H 1 1.86 0.004 . 1 . . . . . 432 PRO HB3 . 18265 1 212 . 1 1 35 35 PRO C C 13 174.853 0.001 . 1 . . . . . 432 PRO C . 18265 1 213 . 1 1 35 35 PRO CA C 13 61.25 0.051 . 1 . . . . . 432 PRO CA . 18265 1 214 . 1 1 35 35 PRO CB C 13 30.718 0.036 . 1 . . . . . 432 PRO CB . 18265 1 215 . 1 1 35 35 PRO N N 15 136.205 0.022 . 1 . . . . . 432 PRO N . 18265 1 216 . 1 1 36 36 PRO HA H 1 4.445 0.004 . 1 . . . . . 433 PRO HA . 18265 1 217 . 1 1 36 36 PRO HB2 H 1 2.307 0.004 . 1 . . . . . 433 PRO HB2 . 18265 1 218 . 1 1 36 36 PRO HB3 H 1 1.925 0.004 . 1 . . . . . 433 PRO HB3 . 18265 1 219 . 1 1 36 36 PRO C C 13 177.18 0.001 . 1 . . . . . 433 PRO C . 18265 1 220 . 1 1 36 36 PRO CA C 13 63.05 0.017 . 1 . . . . . 433 PRO CA . 18265 1 221 . 1 1 36 36 PRO CB C 13 32.087 0.08 . 1 . . . . . 433 PRO CB . 18265 1 222 . 1 1 36 36 PRO N N 15 135.236 0.004 . 1 . . . . . 433 PRO N . 18265 1 223 . 1 1 37 37 SER HA H 1 4.463 0.004 . 1 . . . . . 434 SER HA . 18265 1 224 . 1 1 37 37 SER HB2 H 1 3.903 0.004 . 1 . . . . . 434 SER QB . 18265 1 225 . 1 1 37 37 SER HB3 H 1 3.903 0.004 . 1 . . . . . 434 SER QB . 18265 1 226 . 1 1 37 37 SER C C 13 175.092 0.013 . 1 . . . . . 434 SER C . 18265 1 227 . 1 1 37 37 SER CA C 13 58.489 0.014 . 1 . . . . . 434 SER CA . 18265 1 228 . 1 1 37 37 SER CB C 13 63.753 0.08 . 1 . . . . . 434 SER CB . 18265 1 229 . 1 1 37 37 SER N N 15 115.996 0.038 . 1 . . . . . 434 SER N . 18265 1 230 . 1 1 38 38 THR HA H 1 4.38 0.004 . 1 . . . . . 435 THR HA . 18265 1 231 . 1 1 38 38 THR HB H 1 4.28 0.004 . 1 . . . . . 435 THR HB . 18265 1 232 . 1 1 38 38 THR C C 13 174.585 0.005 . 1 . . . . . 435 THR C . 18265 1 233 . 1 1 38 38 THR CA C 13 61.928 0.009 . 1 . . . . . 435 THR CA . 18265 1 234 . 1 1 38 38 THR CB C 13 69.689 0.08 . 1 . . . . . 435 THR CB . 18265 1 235 . 1 1 38 38 THR N N 15 115.258 0.035 . 1 . . . . . 435 THR N . 18265 1 236 . 1 1 39 39 SER HA H 1 4.476 0.004 . 1 . . . . . 436 SER HA . 18265 1 237 . 1 1 39 39 SER HB2 H 1 3.828 0.004 . 1 . . . . . 436 SER QB . 18265 1 238 . 1 1 39 39 SER HB3 H 1 3.828 0.004 . 1 . . . . . 436 SER QB . 18265 1 239 . 1 1 39 39 SER C C 13 174.396 0.01 . 1 . . . . . 436 SER C . 18265 1 240 . 1 1 39 39 SER CA C 13 58.479 0.044 . 1 . . . . . 436 SER CA . 18265 1 241 . 1 1 39 39 SER CB C 13 63.852 0.08 . 1 . . . . . 436 SER CB . 18265 1 242 . 1 1 39 39 SER N N 15 117.901 0.026 . 1 . . . . . 436 SER N . 18265 1 243 . 1 1 40 40 ILE HA H 1 4.143 0.004 . 1 . . . . . 437 ILE HA . 18265 1 244 . 1 1 40 40 ILE HB H 1 1.837 0.004 . 1 . . . . . 437 ILE HB . 18265 1 245 . 1 1 40 40 ILE C C 13 176.228 0.005 . 1 . . . . . 437 ILE C . 18265 1 246 . 1 1 40 40 ILE CA C 13 61.332 0.002 . 1 . . . . . 437 ILE CA . 18265 1 247 . 1 1 40 40 ILE CB C 13 38.586 0.08 . 1 . . . . . 437 ILE CB . 18265 1 248 . 1 1 40 40 ILE N N 15 122.723 0.028 . 1 . . . . . 437 ILE N . 18265 1 249 . 1 1 41 41 ARG HA H 1 4.34 0.004 . 1 . . . . . 438 ARG HA . 18265 1 250 . 1 1 41 41 ARG HB2 H 1 1.77 0.004 . 1 . . . . . 438 ARG QB . 18265 1 251 . 1 1 41 41 ARG HB3 H 1 1.77 0.004 . 1 . . . . . 438 ARG QB . 18265 1 252 . 1 1 41 41 ARG C C 13 175.899 0.003 . 1 . . . . . 438 ARG C . 18265 1 253 . 1 1 41 41 ARG CA C 13 55.995 0.011 . 1 . . . . . 438 ARG CA . 18265 1 254 . 1 1 41 41 ARG CB C 13 30.775 0.08 . 1 . . . . . 438 ARG CB . 18265 1 255 . 1 1 41 41 ARG N N 15 124.982 0.02 . 1 . . . . . 438 ARG N . 18265 1 256 . 1 1 42 42 ASN HA H 1 4.674 0.004 . 1 . . . . . 439 ASN HA . 18265 1 257 . 1 1 42 42 ASN HB2 H 1 2.764 0.004 . 1 . . . . . 439 ASN QB . 18265 1 258 . 1 1 42 42 ASN HB3 H 1 2.764 0.004 . 1 . . . . . 439 ASN QB . 18265 1 259 . 1 1 42 42 ASN C C 13 175.565 0.003 . 1 . . . . . 439 ASN C . 18265 1 260 . 1 1 42 42 ASN CA C 13 53.448 0.042 . 1 . . . . . 439 ASN CA . 18265 1 261 . 1 1 42 42 ASN CB C 13 38.98 0.08 . 1 . . . . . 439 ASN CB . 18265 1 262 . 1 1 42 42 ASN N N 15 120.34 0.029 . 1 . . . . . 439 ASN N . 18265 1 263 . 1 1 43 43 GLY HA2 H 1 3.864 0.004 . 1 . . . . . 440 GLY QA . 18265 1 264 . 1 1 43 43 GLY HA3 H 1 3.864 0.004 . 1 . . . . . 440 GLY QA . 18265 1 265 . 1 1 43 43 GLY C C 13 173.938 0.001 . 1 . . . . . 440 GLY C . 18265 1 266 . 1 1 43 43 GLY CA C 13 45.397 0.002 . 1 . . . . . 440 GLY CA . 18265 1 267 . 1 1 43 43 GLY N N 15 109.255 0.051 . 1 . . . . . 440 GLY N . 18265 1 268 . 1 1 44 44 PHE HA H 1 4.611 0.004 . 1 . . . . . 441 PHE HA . 18265 1 269 . 1 1 44 44 PHE HB2 H 1 3.081 0.004 . 1 . . . . . 441 PHE QB . 18265 1 270 . 1 1 44 44 PHE HB3 H 1 3.081 0.004 . 1 . . . . . 441 PHE QB . 18265 1 271 . 1 1 44 44 PHE C C 13 175.728 0.008 . 1 . . . . . 441 PHE C . 18265 1 272 . 1 1 44 44 PHE CA C 13 57.896 0.001 . 1 . . . . . 441 PHE CA . 18265 1 273 . 1 1 44 44 PHE CB C 13 39.552 0.08 . 1 . . . . . 441 PHE CB . 18265 1 274 . 1 1 44 44 PHE N N 15 119.774 0.018 . 1 . . . . . 441 PHE N . 18265 1 275 . 1 1 45 45 GLN HA H 1 4.284 0.004 . 1 . . . . . 442 GLN HA . 18265 1 276 . 1 1 45 45 GLN HB2 H 1 1.966 0.004 . 1 . . . . . 442 GLN QB . 18265 1 277 . 1 1 45 45 GLN HB3 H 1 1.966 0.004 . 1 . . . . . 442 GLN QB . 18265 1 278 . 1 1 45 45 GLN C C 13 175.22 0.004 . 1 . . . . . 442 GLN C . 18265 1 279 . 1 1 45 45 GLN CA C 13 55.865 0.013 . 1 . . . . . 442 GLN CA . 18265 1 280 . 1 1 45 45 GLN CB C 13 29.591 0.08 . 1 . . . . . 442 GLN CB . 18265 1 281 . 1 1 45 45 GLN N N 15 121.617 0.063 . 1 . . . . . 442 GLN N . 18265 1 282 . 1 1 46 46 ASP HA H 1 4.595 0.004 . 1 . . . . . 443 ASP HA . 18265 1 283 . 1 1 46 46 ASP HB2 H 1 2.659 0.004 . 1 . . . . . 443 ASP QB . 18265 1 284 . 1 1 46 46 ASP HB3 H 1 2.659 0.004 . 1 . . . . . 443 ASP QB . 18265 1 285 . 1 1 46 46 ASP C C 13 175.725 0.023 . 1 . . . . . 443 ASP C . 18265 1 286 . 1 1 46 46 ASP CA C 13 54.26 0.02 . 1 . . . . . 443 ASP CA . 18265 1 287 . 1 1 46 46 ASP CB C 13 41.168 0.08 . 1 . . . . . 443 ASP CB . 18265 1 288 . 1 1 46 46 ASP N N 15 121.388 0.008 . 1 . . . . . 443 ASP N . 18265 1 289 . 1 1 47 47 SER HA H 1 4.755 0.004 . 1 . . . . . 444 SER HA . 18265 1 290 . 1 1 47 47 SER HB2 H 1 3.846 0.004 . 1 . . . . . 444 SER QB . 18265 1 291 . 1 1 47 47 SER HB3 H 1 3.846 0.004 . 1 . . . . . 444 SER QB . 18265 1 292 . 1 1 47 47 SER C C 13 172.655 0.014 . 1 . . . . . 444 SER C . 18265 1 293 . 1 1 47 47 SER CA C 13 56.299 0.07 . 1 . . . . . 444 SER CA . 18265 1 294 . 1 1 47 47 SER CB C 13 63.521 0.08 . 1 . . . . . 444 SER CB . 18265 1 295 . 1 1 47 47 SER N N 15 116.743 0.053 . 1 . . . . . 444 SER N . 18265 1 296 . 1 1 48 48 PRO HA H 1 4.426 0.004 . 1 . . . . . 445 PRO HA . 18265 1 297 . 1 1 48 48 PRO HB2 H 1 2.256 0.004 . 1 . . . . . 445 PRO HB2 . 18265 1 298 . 1 1 48 48 PRO HB3 H 1 1.885 0.004 . 1 . . . . . 445 PRO HB3 . 18265 1 299 . 1 1 48 48 PRO C C 13 176.86 0.014 . 1 . . . . . 445 PRO C . 18265 1 300 . 1 1 48 48 PRO CA C 13 63.412 0.002 . 1 . . . . . 445 PRO CA . 18265 1 301 . 1 1 48 48 PRO CB C 13 32.169 0.087 . 1 . . . . . 445 PRO CB . 18265 1 302 . 1 1 48 48 PRO N N 15 137.659 0.04 . 1 . . . . . 445 PRO N . 18265 1 303 . 1 1 49 49 CYS HA H 1 4.381 0.004 . 1 . . . . . 446 CYS HA . 18265 1 304 . 1 1 49 49 CYS HB2 H 1 2.836 0.004 . 1 . . . . . 446 CYS QB . 18265 1 305 . 1 1 49 49 CYS HB3 H 1 2.836 0.004 . 1 . . . . . 446 CYS QB . 18265 1 306 . 1 1 49 49 CYS C C 13 174.768 0.029 . 1 . . . . . 446 CYS C . 18265 1 307 . 1 1 49 49 CYS CA C 13 58.617 0.4 . 1 . . . . . 446 CYS CA . 18265 1 308 . 1 1 49 49 CYS CB C 13 28.12 0.08 . 1 . . . . . 446 CYS CB . 18265 1 309 . 1 1 49 49 CYS N N 15 119.258 0.018 . 1 . . . . . 446 CYS N . 18265 1 310 . 1 1 50 50 GLU HA H 1 4.212 0.01 . 1 . . . . . 447 GLU HA . 18265 1 311 . 1 1 50 50 GLU HB2 H 1 1.992 0.004 . 1 . . . . . 447 GLU HB2 . 18265 1 312 . 1 1 50 50 GLU HB3 H 1 1.941 0.004 . 1 . . . . . 447 GLU HB3 . 18265 1 313 . 1 1 50 50 GLU C C 13 176.185 0.003 . 1 . . . . . 447 GLU C . 18265 1 314 . 1 1 50 50 GLU CA C 13 57.005 0.058 . 1 . . . . . 447 GLU CA . 18265 1 315 . 1 1 50 50 GLU CB C 13 30.139 0.004 . 1 . . . . . 447 GLU CB . 18265 1 316 . 1 1 50 50 GLU N N 15 123.423 0.109 . 1 . . . . . 447 GLU N . 18265 1 317 . 1 1 51 51 ASP HA H 1 4.572 0.004 . 1 . . . . . 448 ASP HA . 18265 1 318 . 1 1 51 51 ASP HB2 H 1 2.629 0.004 . 1 . . . . . 448 ASP QB . 18265 1 319 . 1 1 51 51 ASP HB3 H 1 2.629 0.004 . 1 . . . . . 448 ASP QB . 18265 1 320 . 1 1 51 51 ASP C C 13 176.611 0.004 . 1 . . . . . 448 ASP C . 18265 1 321 . 1 1 51 51 ASP CA C 13 54.747 0.111 . 1 . . . . . 448 ASP CA . 18265 1 322 . 1 1 51 51 ASP CB C 13 41.022 0.08 . 1 . . . . . 448 ASP CB . 18265 1 323 . 1 1 51 51 ASP N N 15 120.444 0.008 . 1 . . . . . 448 ASP N . 18265 1 324 . 1 1 52 52 GLU HA H 1 4.173 0.004 . 1 . . . . . 449 GLU HA . 18265 1 325 . 1 1 52 52 GLU HB2 H 1 1.91 0.004 . 1 . . . . . 449 GLU QB . 18265 1 326 . 1 1 52 52 GLU HB3 H 1 1.91 0.004 . 1 . . . . . 449 GLU QB . 18265 1 327 . 1 1 52 52 GLU C C 13 176.904 0.008 . 1 . . . . . 449 GLU C . 18265 1 328 . 1 1 52 52 GLU CA C 13 57.489 0.12 . 1 . . . . . 449 GLU CA . 18265 1 329 . 1 1 52 52 GLU CB C 13 29.588 0.08 . 1 . . . . . 449 GLU CB . 18265 1 330 . 1 1 52 52 GLU N N 15 121.058 0.018 . 1 . . . . . 449 GLU N . 18265 1 331 . 1 1 53 53 TRP HA H 1 4.51 0.004 . 1 . . . . . 450 TRP HA . 18265 1 332 . 1 1 53 53 TRP HB2 H 1 3.284 0.004 . 1 . . . . . 450 TRP QB . 18265 1 333 . 1 1 53 53 TRP HB3 H 1 3.284 0.004 . 1 . . . . . 450 TRP QB . 18265 1 334 . 1 1 53 53 TRP C C 13 177.094 0.08 . 1 . . . . . 450 TRP C . 18265 1 335 . 1 1 53 53 TRP CA C 13 58.407 0.08 . 1 . . . . . 450 TRP CA . 18265 1 336 . 1 1 53 53 TRP CB C 13 29.568 0.08 . 1 . . . . . 450 TRP CB . 18265 1 337 . 1 1 53 53 TRP N N 15 121.037 0.04 . 1 . . . . . 450 TRP N . 18265 1 338 . 1 1 54 54 GLU HA H 1 4.033 0.004 . 1 . . . . . 451 GLU HA . 18265 1 339 . 1 1 54 54 GLU HB2 H 1 1.931 0.004 . 1 . . . . . 451 GLU QB . 18265 1 340 . 1 1 54 54 GLU HB3 H 1 1.931 0.004 . 1 . . . . . 451 GLU QB . 18265 1 341 . 1 1 54 54 GLU C C 13 177.1 0.08 . 1 . . . . . 451 GLU C . 18265 1 342 . 1 1 54 54 GLU CA C 13 57.874 0.08 . 1 . . . . . 451 GLU CA . 18265 1 343 . 1 1 54 54 GLU CB C 13 29.894 0.08 . 1 . . . . . 451 GLU CB . 18265 1 344 . 1 1 54 54 GLU N N 15 120.088 0.04 . 1 . . . . . 451 GLU N . 18265 1 345 . 1 1 55 55 SER HA H 1 4.266 0.012 . 1 . . . . . 452 SER HA . 18265 1 346 . 1 1 55 55 SER HB2 H 1 3.849 0.002 . 1 . . . . . 452 SER QB . 18265 1 347 . 1 1 55 55 SER HB3 H 1 3.849 0.002 . 1 . . . . . 452 SER QB . 18265 1 348 . 1 1 55 55 SER C C 13 175.222 0.08 . 1 . . . . . 452 SER C . 18265 1 349 . 1 1 55 55 SER CA C 13 59.471 0.008 . 1 . . . . . 452 SER CA . 18265 1 350 . 1 1 55 55 SER CB C 13 63.48 0.062 . 1 . . . . . 452 SER CB . 18265 1 351 . 1 1 55 55 SER N N 15 114.867 0.04 . 1 . . . . . 452 SER N . 18265 1 352 . 1 1 56 56 ARG HA H 1 4.106 0.004 . 1 . . . . . 453 ARG HA . 18265 1 353 . 1 1 56 56 ARG HB2 H 1 2.407 0.004 . 1 . . . . . 453 ARG HB2 . 18265 1 354 . 1 1 56 56 ARG HB3 H 1 2.175 0.004 . 1 . . . . . 453 ARG HB3 . 18265 1 355 . 1 1 56 56 ARG C C 13 176.245 0.08 . 1 . . . . . 453 ARG C . 18265 1 356 . 1 1 56 56 ARG CA C 13 56.864 0.08 . 1 . . . . . 453 ARG CA . 18265 1 357 . 1 1 56 56 ARG CB C 13 30.39 0.047 . 1 . . . . . 453 ARG CB . 18265 1 358 . 1 1 56 56 ARG N N 15 121.177 0.04 . 1 . . . . . 453 ARG N . 18265 1 359 . 1 1 57 57 PHE HA H 1 4.454 0.004 . 1 . . . . . 454 PHE HA . 18265 1 360 . 1 1 57 57 PHE HB2 H 1 2.971 0.004 . 1 . . . . . 454 PHE HB2 . 18265 1 361 . 1 1 57 57 PHE HB3 H 1 2.75 0.004 . 1 . . . . . 454 PHE HB3 . 18265 1 362 . 1 1 57 57 PHE C C 13 175.334 0.08 . 1 . . . . . 454 PHE C . 18265 1 363 . 1 1 57 57 PHE CA C 13 58.155 0.08 . 1 . . . . . 454 PHE CA . 18265 1 364 . 1 1 57 57 PHE CB C 13 39.453 0.075 . 1 . . . . . 454 PHE CB . 18265 1 365 . 1 1 57 57 PHE N N 15 118.766 0.04 . 1 . . . . . 454 PHE N . 18265 1 366 . 1 1 58 58 TYR HA H 1 4.449 0.004 . 1 . . . . . 455 TYR HA . 18265 1 367 . 1 1 58 58 TYR HB2 H 1 2.865 0.004 . 1 . . . . . 455 TYR QB . 18265 1 368 . 1 1 58 58 TYR HB3 H 1 2.865 0.004 . 1 . . . . . 455 TYR QB . 18265 1 369 . 1 1 58 58 TYR C C 13 174.982 0.08 . 1 . . . . . 455 TYR C . 18265 1 370 . 1 1 58 58 TYR CA C 13 57.678 0.08 . 1 . . . . . 455 TYR CA . 18265 1 371 . 1 1 58 58 TYR CB C 13 38.768 0.08 . 1 . . . . . 455 TYR CB . 18265 1 372 . 1 1 58 58 TYR N N 15 119.773 0.04 . 1 . . . . . 455 TYR N . 18265 1 373 . 1 1 59 59 PHE HA H 1 4.485 0.004 . 1 . . . . . 456 PHE HA . 18265 1 374 . 1 1 59 59 PHE HB2 H 1 2.961 0.004 . 1 . . . . . 456 PHE QB . 18265 1 375 . 1 1 59 59 PHE HB3 H 1 2.961 0.004 . 1 . . . . . 456 PHE QB . 18265 1 376 . 1 1 59 59 PHE C C 13 174.675 0.08 . 1 . . . . . 456 PHE C . 18265 1 377 . 1 1 59 59 PHE CA C 13 57.73 0.08 . 1 . . . . . 456 PHE CA . 18265 1 378 . 1 1 59 59 PHE CB C 13 39.752 0.08 . 1 . . . . . 456 PHE CB . 18265 1 379 . 1 1 59 59 PHE N N 15 121.27 0.04 . 1 . . . . . 456 PHE N . 18265 1 380 . 1 1 60 60 HIS HA H 1 4.777 0.004 . 1 . . . . . 457 HIS HA . 18265 1 381 . 1 1 60 60 HIS HB2 H 1 2.989 0.004 . 1 . . . . . 457 HIS QB . 18265 1 382 . 1 1 60 60 HIS HB3 H 1 2.989 0.004 . 1 . . . . . 457 HIS QB . 18265 1 383 . 1 1 60 60 HIS C C 13 171.505 0.01 . 1 . . . . . 457 HIS C . 18265 1 384 . 1 1 60 60 HIS CA C 13 52.906 0.038 . 1 . . . . . 457 HIS CA . 18265 1 385 . 1 1 60 60 HIS CB C 13 28.861 0.08 . 1 . . . . . 457 HIS CB . 18265 1 386 . 1 1 60 60 HIS N N 15 121.767 0.028 . 1 . . . . . 457 HIS N . 18265 1 387 . 1 1 61 61 PRO HA H 1 4.343 0.004 . 1 . . . . . 458 PRO HA . 18265 1 388 . 1 1 61 61 PRO HB2 H 1 2.23 0.004 . 1 . . . . . 458 PRO HB2 . 18265 1 389 . 1 1 61 61 PRO HB3 H 1 1.871 0.004 . 1 . . . . . 458 PRO HB3 . 18265 1 390 . 1 1 61 61 PRO C C 13 176.941 0.003 . 1 . . . . . 458 PRO C . 18265 1 391 . 1 1 61 61 PRO CA C 13 63.114 0.029 . 1 . . . . . 458 PRO CA . 18265 1 392 . 1 1 61 61 PRO CB C 13 32.05 0.001 . 1 . . . . . 458 PRO CB . 18265 1 393 . 1 1 61 61 PRO N N 15 136.606 0.017 . 1 . . . . . 458 PRO N . 18265 1 394 . 1 1 62 62 ILE HA H 1 4.146 0.004 . 1 . . . . . 459 ILE HA . 18265 1 395 . 1 1 62 62 ILE HB H 1 1.852 0.004 . 1 . . . . . 459 ILE HB . 18265 1 396 . 1 1 62 62 ILE C C 13 176.341 0.08 . 1 . . . . . 459 ILE C . 18265 1 397 . 1 1 62 62 ILE CA C 13 61.471 0.022 . 1 . . . . . 459 ILE CA . 18265 1 398 . 1 1 62 62 ILE CB C 13 38.691 0.08 . 1 . . . . . 459 ILE CB . 18265 1 399 . 1 1 62 62 ILE N N 15 121.024 0.03 . 1 . . . . . 459 ILE N . 18265 1 400 . 1 1 63 63 SER HA H 1 4.452 0.004 . 1 . . . . . 460 SER HA . 18265 1 401 . 1 1 63 63 SER HB2 H 1 3.833 0.004 . 1 . . . . . 460 SER QB . 18265 1 402 . 1 1 63 63 SER HB3 H 1 3.833 0.004 . 1 . . . . . 460 SER QB . 18265 1 403 . 1 1 63 63 SER C C 13 174.017 0.08 . 1 . . . . . 460 SER C . 18265 1 404 . 1 1 63 63 SER CA C 13 58.161 0.03 . 1 . . . . . 460 SER CA . 18265 1 405 . 1 1 63 63 SER CB C 13 64.069 0.08 . 1 . . . . . 460 SER CB . 18265 1 406 . 1 1 63 63 SER N N 15 118.707 0.037 . 1 . . . . . 460 SER N . 18265 1 407 . 1 1 64 64 ASP HA H 1 4.615 0.004 . 1 . . . . . 461 ASP HA . 18265 1 408 . 1 1 64 64 ASP HB2 H 1 2.628 0.004 . 1 . . . . . 461 ASP QB . 18265 1 409 . 1 1 64 64 ASP HB3 H 1 2.628 0.004 . 1 . . . . . 461 ASP QB . 18265 1 410 . 1 1 64 64 ASP C C 13 175.564 0.014 . 1 . . . . . 461 ASP C . 18265 1 411 . 1 1 64 64 ASP CA C 13 54.204 0.062 . 1 . . . . . 461 ASP CA . 18265 1 412 . 1 1 64 64 ASP CB C 13 40.918 0.08 . 1 . . . . . 461 ASP CB . 18265 1 413 . 1 1 64 64 ASP N N 15 122.415 0.011 . 1 . . . . . 461 ASP N . 18265 1 414 . 1 1 65 65 LEU HA H 1 4.565 0.004 . 1 . . . . . 462 LEU HA . 18265 1 415 . 1 1 65 65 LEU HB2 H 1 1.515 0.004 . 1 . . . . . 462 LEU QB . 18265 1 416 . 1 1 65 65 LEU HB3 H 1 1.515 0.004 . 1 . . . . . 462 LEU QB . 18265 1 417 . 1 1 65 65 LEU C C 13 174.701 0.002 . 1 . . . . . 462 LEU C . 18265 1 418 . 1 1 65 65 LEU CA C 13 52.994 0.021 . 1 . . . . . 462 LEU CA . 18265 1 419 . 1 1 65 65 LEU CB C 13 41.827 0.08 . 1 . . . . . 462 LEU CB . 18265 1 420 . 1 1 65 65 LEU N N 15 123.182 0.026 . 1 . . . . . 462 LEU N . 18265 1 421 . 1 1 66 66 PRO HA H 1 4.643 0.004 . 1 . . . . . 463 PRO HA . 18265 1 422 . 1 1 66 66 PRO HB2 H 1 2.28 0.004 . 1 . . . . . 463 PRO HB2 . 18265 1 423 . 1 1 66 66 PRO HB3 H 1 1.842 0.004 . 1 . . . . . 463 PRO HB3 . 18265 1 424 . 1 1 66 66 PRO C C 13 174.208 0.006 . 1 . . . . . 463 PRO C . 18265 1 425 . 1 1 66 66 PRO CA C 13 61.334 0.021 . 1 . . . . . 463 PRO CA . 18265 1 426 . 1 1 66 66 PRO CB C 13 30.632 0.011 . 1 . . . . . 463 PRO CB . 18265 1 427 . 1 1 66 66 PRO N N 15 137.755 0.008 . 1 . . . . . 463 PRO N . 18265 1 428 . 1 1 67 67 PRO HA H 1 4.661 0.004 . 1 . . . . . 464 PRO HA . 18265 1 429 . 1 1 67 67 PRO HB2 H 1 2.32 0.004 . 1 . . . . . 464 PRO HB2 . 18265 1 430 . 1 1 67 67 PRO HB3 H 1 1.874 0.004 . 1 . . . . . 464 PRO HB3 . 18265 1 431 . 1 1 67 67 PRO C C 13 174.797 0.017 . 1 . . . . . 464 PRO C . 18265 1 432 . 1 1 67 67 PRO CA C 13 61.232 0.005 . 1 . . . . . 464 PRO CA . 18265 1 433 . 1 1 67 67 PRO CB C 13 30.794 0.007 . 1 . . . . . 464 PRO CB . 18265 1 434 . 1 1 67 67 PRO N N 15 136.449 0.035 . 1 . . . . . 464 PRO N . 18265 1 435 . 1 1 68 68 PRO HA H 1 4.366 0.004 . 1 . . . . . 465 PRO HA . 18265 1 436 . 1 1 68 68 PRO HB2 H 1 2.258 0.004 . 1 . . . . . 465 PRO HB2 . 18265 1 437 . 1 1 68 68 PRO HB3 H 1 1.833 0.004 . 1 . . . . . 465 PRO HB3 . 18265 1 438 . 1 1 68 68 PRO C C 13 176.682 0.008 . 1 . . . . . 465 PRO C . 18265 1 439 . 1 1 68 68 PRO CA C 13 62.993 0.173 . 1 . . . . . 465 PRO CA . 18265 1 440 . 1 1 68 68 PRO CB C 13 32.096 0.005 . 1 . . . . . 465 PRO CB . 18265 1 441 . 1 1 68 68 PRO N N 15 134.859 0.03 . 1 . . . . . 465 PRO N . 18265 1 442 . 1 1 69 69 GLU HA H 1 4.517 0.004 . 1 . . . . . 466 GLU HA . 18265 1 443 . 1 1 69 69 GLU HB2 H 1 1.954 0.004 . 1 . . . . . 466 GLU HB2 . 18265 1 444 . 1 1 69 69 GLU HB3 H 1 1.814 0.004 . 1 . . . . . 466 GLU HB3 . 18265 1 445 . 1 1 69 69 GLU C C 13 174.671 0.014 . 1 . . . . . 466 GLU C . 18265 1 446 . 1 1 69 69 GLU CA C 13 54.197 0.057 . 1 . . . . . 466 GLU CA . 18265 1 447 . 1 1 69 69 GLU CB C 13 29.645 0.03 . 1 . . . . . 466 GLU CB . 18265 1 448 . 1 1 69 69 GLU N N 15 121.576 0.013 . 1 . . . . . 466 GLU N . 18265 1 449 . 1 1 70 70 PRO HA H 1 4.336 0.004 . 1 . . . . . 467 PRO HA . 18265 1 450 . 1 1 70 70 PRO HB2 H 1 2.181 0.004 . 1 . . . . . 467 PRO HB2 . 18265 1 451 . 1 1 70 70 PRO HB3 H 1 1.78 0.004 . 1 . . . . . 467 PRO HB3 . 18265 1 452 . 1 1 70 70 PRO C C 13 176.501 0.01 . 1 . . . . . 467 PRO C . 18265 1 453 . 1 1 70 70 PRO CA C 13 63.31 0.028 . 1 . . . . . 467 PRO CA . 18265 1 454 . 1 1 70 70 PRO CB C 13 31.826 0.051 . 1 . . . . . 467 PRO CB . 18265 1 455 . 1 1 70 70 PRO N N 15 136.373 0.008 . 1 . . . . . 467 PRO N . 18265 1 456 . 1 1 71 71 TYR HA H 1 4.529 0.004 . 1 . . . . . 468 TYR HA . 18265 1 457 . 1 1 71 71 TYR HB2 H 1 2.984 0.004 . 1 . . . . . 468 TYR QB . 18265 1 458 . 1 1 71 71 TYR HB3 H 1 2.984 0.004 . 1 . . . . . 468 TYR QB . 18265 1 459 . 1 1 71 71 TYR C C 13 175.621 0.018 . 1 . . . . . 468 TYR C . 18265 1 460 . 1 1 71 71 TYR CA C 13 57.876 0.004 . 1 . . . . . 468 TYR CA . 18265 1 461 . 1 1 71 71 TYR CB C 13 38.561 0.08 . 1 . . . . . 468 TYR CB . 18265 1 462 . 1 1 71 71 TYR N N 15 120.081 0.057 . 1 . . . . . 468 TYR N . 18265 1 463 . 1 1 72 72 VAL HA H 1 4.005 0.004 . 1 . . . . . 469 VAL HA . 18265 1 464 . 1 1 72 72 VAL HB H 1 1.952 0.004 . 1 . . . . . 469 VAL HB . 18265 1 465 . 1 1 72 72 VAL C C 13 175.485 0.08 . 1 . . . . . 469 VAL C . 18265 1 466 . 1 1 72 72 VAL CA C 13 62.06 0.005 . 1 . . . . . 469 VAL CA . 18265 1 467 . 1 1 72 72 VAL CB C 13 33.01 0.08 . 1 . . . . . 469 VAL CB . 18265 1 468 . 1 1 72 72 VAL N N 15 123.172 0.04 . 1 . . . . . 469 VAL N . 18265 1 469 . 1 1 73 73 GLN HA H 1 4.322 0.004 . 1 . . . . . 470 GLN HA . 18265 1 470 . 1 1 73 73 GLN HB2 H 1 2.081 0.004 . 1 . . . . . 470 GLN HB2 . 18265 1 471 . 1 1 73 73 GLN HB3 H 1 1.981 0.004 . 1 . . . . . 470 GLN HB3 . 18265 1 472 . 1 1 73 73 GLN C C 13 176.156 0.002 . 1 . . . . . 470 GLN C . 18265 1 473 . 1 1 73 73 GLN CA C 13 56 0.04 . 1 . . . . . 470 GLN CA . 18265 1 474 . 1 1 73 73 GLN CB C 13 29.481 0.08 . 1 . . . . . 470 GLN CB . 18265 1 475 . 1 1 73 73 GLN N N 15 124.509 0.034 . 1 . . . . . 470 GLN N . 18265 1 476 . 1 1 74 74 THR HA H 1 4.388 0.004 . 1 . . . . . 471 THR HA . 18265 1 477 . 1 1 74 74 THR HB H 1 4.253 0.004 . 1 . . . . . 471 THR HB . 18265 1 478 . 1 1 74 74 THR C C 13 174.743 0.003 . 1 . . . . . 471 THR C . 18265 1 479 . 1 1 74 74 THR CA C 13 61.931 0.016 . 1 . . . . . 471 THR CA . 18265 1 480 . 1 1 74 74 THR CB C 13 69.882 0.08 . 1 . . . . . 471 THR CB . 18265 1 481 . 1 1 74 74 THR N N 15 115.924 0.057 . 1 . . . . . 471 THR N . 18265 1 482 . 1 1 75 75 THR HA H 1 4.325 0.004 . 1 . . . . . 472 THR HA . 18265 1 483 . 1 1 75 75 THR HB H 1 4.216 0.004 . 1 . . . . . 472 THR HB . 18265 1 484 . 1 1 75 75 THR C C 13 174.446 0.001 . 1 . . . . . 472 THR C . 18265 1 485 . 1 1 75 75 THR CA C 13 62.028 0.022 . 1 . . . . . 472 THR CA . 18265 1 486 . 1 1 75 75 THR CB C 13 69.855 0.08 . 1 . . . . . 472 THR CB . 18265 1 487 . 1 1 75 75 THR N N 15 116.37 0.05 . 1 . . . . . 472 THR N . 18265 1 488 . 1 1 76 76 LYS HA H 1 4.291 0.004 . 1 . . . . . 473 LYS HA . 18265 1 489 . 1 1 76 76 LYS HB2 H 1 1.716 0.004 . 1 . . . . . 473 LYS QB . 18265 1 490 . 1 1 76 76 LYS HB3 H 1 1.716 0.004 . 1 . . . . . 473 LYS QB . 18265 1 491 . 1 1 76 76 LYS C C 13 176.079 0.001 . 1 . . . . . 473 LYS C . 18265 1 492 . 1 1 76 76 LYS CA C 13 56.297 0.007 . 1 . . . . . 473 LYS CA . 18265 1 493 . 1 1 76 76 LYS CB C 13 33.081 0.08 . 1 . . . . . 473 LYS CB . 18265 1 494 . 1 1 76 76 LYS N N 15 123.776 0.04 . 1 . . . . . 473 LYS N . 18265 1 495 . 1 1 77 77 SER HA H 1 4.406 0.004 . 1 . . . . . 474 SER HA . 18265 1 496 . 1 1 77 77 SER HB2 H 1 3.728 0.004 . 1 . . . . . 474 SER QB . 18265 1 497 . 1 1 77 77 SER HB3 H 1 3.728 0.004 . 1 . . . . . 474 SER QB . 18265 1 498 . 1 1 77 77 SER C C 13 173.434 0.003 . 1 . . . . . 474 SER C . 18265 1 499 . 1 1 77 77 SER CA C 13 57.908 0.036 . 1 . . . . . 474 SER CA . 18265 1 500 . 1 1 77 77 SER CB C 13 64.031 0.08 . 1 . . . . . 474 SER CB . 18265 1 501 . 1 1 77 77 SER N N 15 116.682 0.04 . 1 . . . . . 474 SER N . 18265 1 502 . 1 1 78 78 TYR HA H 1 4.768 0.004 . 1 . . . . . 475 TYR HA . 18265 1 503 . 1 1 78 78 TYR HB2 H 1 3.042 0.004 . 1 . . . . . 475 TYR HB2 . 18265 1 504 . 1 1 78 78 TYR HB3 H 1 2.802 0.004 . 1 . . . . . 475 TYR HB3 . 18265 1 505 . 1 1 78 78 TYR C C 13 174.023 0.003 . 1 . . . . . 475 TYR C . 18265 1 506 . 1 1 78 78 TYR CA C 13 55.992 0.068 . 1 . . . . . 475 TYR CA . 18265 1 507 . 1 1 78 78 TYR CB C 13 38.484 0.035 . 1 . . . . . 475 TYR CB . 18265 1 508 . 1 1 78 78 TYR N N 15 122.899 0.024 . 1 . . . . . 475 TYR N . 18265 1 509 . 1 1 79 79 PRO HA H 1 4.436 0.004 . 1 . . . . . 476 PRO HA . 18265 1 510 . 1 1 79 79 PRO HB2 H 1 2.247 0.004 . 1 . . . . . 476 PRO HB2 . 18265 1 511 . 1 1 79 79 PRO HB3 H 1 1.923 0.004 . 1 . . . . . 476 PRO HB3 . 18265 1 512 . 1 1 79 79 PRO C C 13 176.931 0.002 . 1 . . . . . 476 PRO C . 18265 1 513 . 1 1 79 79 PRO CA C 13 63.363 0.007 . 1 . . . . . 476 PRO CA . 18265 1 514 . 1 1 79 79 PRO CB C 13 31.975 0.081 . 1 . . . . . 476 PRO CB . 18265 1 515 . 1 1 79 79 PRO N N 15 137.179 0.013 . 1 . . . . . 476 PRO N . 18265 1 516 . 1 1 80 80 SER HA H 1 4.405 0.004 . 1 . . . . . 477 SER HA . 18265 1 517 . 1 1 80 80 SER HB2 H 1 3.863 0.004 . 1 . . . . . 477 SER QB . 18265 1 518 . 1 1 80 80 SER HB3 H 1 3.863 0.004 . 1 . . . . . 477 SER QB . 18265 1 519 . 1 1 80 80 SER C C 13 174.876 0.007 . 1 . . . . . 477 SER C . 18265 1 520 . 1 1 80 80 SER CA C 13 58.55 0.058 . 1 . . . . . 477 SER CA . 18265 1 521 . 1 1 80 80 SER CB C 13 63.824 0.08 . 1 . . . . . 477 SER CB . 18265 1 522 . 1 1 80 80 SER N N 15 116.149 0.039 . 1 . . . . . 477 SER N . 18265 1 523 . 1 1 81 81 LYS HA H 1 4.259 0.004 . 1 . . . . . 478 LYS HA . 18265 1 524 . 1 1 81 81 LYS HB2 H 1 1.797 0.004 . 1 . . . . . 478 LYS QB . 18265 1 525 . 1 1 81 81 LYS HB3 H 1 1.797 0.004 . 1 . . . . . 478 LYS QB . 18265 1 526 . 1 1 81 81 LYS C C 13 176.508 0.001 . 1 . . . . . 478 LYS C . 18265 1 527 . 1 1 81 81 LYS CA C 13 56.709 0.001 . 1 . . . . . 478 LYS CA . 18265 1 528 . 1 1 81 81 LYS CB C 13 32.855 0.08 . 1 . . . . . 478 LYS CB . 18265 1 529 . 1 1 81 81 LYS N N 15 123.227 0.038 . 1 . . . . . 478 LYS N . 18265 1 530 . 1 1 82 82 LEU HA H 1 4.312 0.004 . 1 . . . . . 479 LEU HA . 18265 1 531 . 1 1 82 82 LEU HB2 H 1 1.573 0.004 . 1 . . . . . 479 LEU QB . 18265 1 532 . 1 1 82 82 LEU HB3 H 1 1.573 0.004 . 1 . . . . . 479 LEU QB . 18265 1 533 . 1 1 82 82 LEU C C 13 177.071 0.08 . 1 . . . . . 479 LEU C . 18265 1 534 . 1 1 82 82 LEU CA C 13 55.131 0.039 . 1 . . . . . 479 LEU CA . 18265 1 535 . 1 1 82 82 LEU CB C 13 42.392 0.08 . 1 . . . . . 479 LEU CB . 18265 1 536 . 1 1 82 82 LEU N N 15 122.549 0.037 . 1 . . . . . 479 LEU N . 18265 1 537 . 1 1 83 83 ALA HA H 1 4.283 0.004 . 1 . . . . . 480 ALA HA . 18265 1 538 . 1 1 83 83 ALA HB1 H 1 1.378 0.004 . 1 . . . . . 480 ALA MB . 18265 1 539 . 1 1 83 83 ALA HB2 H 1 1.378 0.004 . 1 . . . . . 480 ALA MB . 18265 1 540 . 1 1 83 83 ALA HB3 H 1 1.378 0.004 . 1 . . . . . 480 ALA MB . 18265 1 541 . 1 1 83 83 ALA C C 13 177.711 0.004 . 1 . . . . . 480 ALA C . 18265 1 542 . 1 1 83 83 ALA CA C 13 52.526 0.025 . 1 . . . . . 480 ALA CA . 18265 1 543 . 1 1 83 83 ALA CB C 13 19.204 0.08 . 1 . . . . . 480 ALA CB . 18265 1 544 . 1 1 83 83 ALA N N 15 125.176 0.028 . 1 . . . . . 480 ALA N . 18265 1 545 . 1 1 84 84 ARG HA H 1 4.268 0.004 . 1 . . . . . 481 ARG HA . 18265 1 546 . 1 1 84 84 ARG HB2 H 1 1.796 0.004 . 1 . . . . . 481 ARG QB . 18265 1 547 . 1 1 84 84 ARG HB3 H 1 1.796 0.004 . 1 . . . . . 481 ARG QB . 18265 1 548 . 1 1 84 84 ARG C C 13 176.163 0.003 . 1 . . . . . 481 ARG C . 18265 1 549 . 1 1 84 84 ARG CA C 13 56.266 0.005 . 1 . . . . . 481 ARG CA . 18265 1 550 . 1 1 84 84 ARG CB C 13 30.8 0.08 . 1 . . . . . 481 ARG CB . 18265 1 551 . 1 1 84 84 ARG N N 15 120.216 0.039 . 1 . . . . . 481 ARG N . 18265 1 552 . 1 1 85 85 ASN HA H 1 4.684 0.004 . 1 . . . . . 482 ASN HA . 18265 1 553 . 1 1 85 85 ASN HB2 H 1 2.779 0.004 . 1 . . . . . 482 ASN QB . 18265 1 554 . 1 1 85 85 ASN HB3 H 1 2.779 0.004 . 1 . . . . . 482 ASN QB . 18265 1 555 . 1 1 85 85 ASN C C 13 175.296 0.003 . 1 . . . . . 482 ASN C . 18265 1 556 . 1 1 85 85 ASN CA C 13 53.398 0.002 . 1 . . . . . 482 ASN CA . 18265 1 557 . 1 1 85 85 ASN CB C 13 38.774 0.08 . 1 . . . . . 482 ASN CB . 18265 1 558 . 1 1 85 85 ASN N N 15 119.868 0.029 . 1 . . . . . 482 ASN N . 18265 1 559 . 1 1 86 86 GLU HA H 1 4.332 0.004 . 1 . . . . . 483 GLU HA . 18265 1 560 . 1 1 86 86 GLU HB2 H 1 2.078 0.004 . 1 . . . . . 483 GLU HB2 . 18265 1 561 . 1 1 86 86 GLU HB3 H 1 1.921 0.004 . 1 . . . . . 483 GLU HB3 . 18265 1 562 . 1 1 86 86 GLU C C 13 176.544 0.005 . 1 . . . . . 483 GLU C . 18265 1 563 . 1 1 86 86 GLU CA C 13 56.624 0.013 . 1 . . . . . 483 GLU CA . 18265 1 564 . 1 1 86 86 GLU CB C 13 30.239 0.01 . 1 . . . . . 483 GLU CB . 18265 1 565 . 1 1 86 86 GLU N N 15 121.765 0.013 . 1 . . . . . 483 GLU N . 18265 1 566 . 1 1 87 87 SER HA H 1 4.437 0.004 . 1 . . . . . 484 SER HA . 18265 1 567 . 1 1 87 87 SER HB2 H 1 3.888 0.004 . 1 . . . . . 484 SER QB . 18265 1 568 . 1 1 87 87 SER HB3 H 1 3.888 0.004 . 1 . . . . . 484 SER QB . 18265 1 569 . 1 1 87 87 SER C C 13 174.853 0.001 . 1 . . . . . 484 SER C . 18265 1 570 . 1 1 87 87 SER CA C 13 58.629 0.007 . 1 . . . . . 484 SER CA . 18265 1 571 . 1 1 87 87 SER CB C 13 63.804 0.08 . 1 . . . . . 484 SER CB . 18265 1 572 . 1 1 87 87 SER N N 15 116.984 0.04 . 1 . . . . . 484 SER N . 18265 1 573 . 1 1 88 88 ARG HA H 1 4.406 0.004 . 1 . . . . . 485 ARG HA . 18265 1 574 . 1 1 88 88 ARG HB2 H 1 1.902 0.004 . 1 . . . . . 485 ARG QB . 18265 1 575 . 1 1 88 88 ARG HB3 H 1 1.902 0.004 . 1 . . . . . 485 ARG QB . 18265 1 576 . 1 1 88 88 ARG C C 13 176.509 0.004 . 1 . . . . . 485 ARG C . 18265 1 577 . 1 1 88 88 ARG CA C 13 56.237 0.035 . 1 . . . . . 485 ARG CA . 18265 1 578 . 1 1 88 88 ARG CB C 13 30.711 0.08 . 1 . . . . . 485 ARG CB . 18265 1 579 . 1 1 88 88 ARG N N 15 123.101 0.019 . 1 . . . . . 485 ARG N . 18265 1 580 . 1 1 89 89 SER HA H 1 4.456 0.004 . 1 . . . . . 486 SER HA . 18265 1 581 . 1 1 89 89 SER HB2 H 1 3.893 0.004 . 1 . . . . . 486 SER QB . 18265 1 582 . 1 1 89 89 SER HB3 H 1 3.893 0.004 . 1 . . . . . 486 SER QB . 18265 1 583 . 1 1 89 89 SER C C 13 175.169 0.003 . 1 . . . . . 486 SER C . 18265 1 584 . 1 1 89 89 SER CA C 13 58.651 0.033 . 1 . . . . . 486 SER CA . 18265 1 585 . 1 1 89 89 SER CB C 13 63.87 0.08 . 1 . . . . . 486 SER CB . 18265 1 586 . 1 1 89 89 SER N N 15 116.614 0.042 . 1 . . . . . 486 SER N . 18265 1 587 . 1 1 90 90 GLY HA2 H 1 4.005 0.004 . 1 . . . . . 487 GLY QA . 18265 1 588 . 1 1 90 90 GLY HA3 H 1 4.005 0.004 . 1 . . . . . 487 GLY QA . 18265 1 589 . 1 1 90 90 GLY C C 13 174.408 0.001 . 1 . . . . . 487 GLY C . 18265 1 590 . 1 1 90 90 GLY CA C 13 45.481 0.005 . 1 . . . . . 487 GLY CA . 18265 1 591 . 1 1 90 90 GLY N N 15 111.011 0.044 . 1 . . . . . 487 GLY N . 18265 1 592 . 1 1 91 91 SER HA H 1 4.427 0.004 . 1 . . . . . 488 SER HA . 18265 1 593 . 1 1 91 91 SER HB2 H 1 3.861 0.004 . 1 . . . . . 488 SER QB . 18265 1 594 . 1 1 91 91 SER HB3 H 1 3.861 0.004 . 1 . . . . . 488 SER QB . 18265 1 595 . 1 1 91 91 SER C C 13 174.49 0.006 . 1 . . . . . 488 SER C . 18265 1 596 . 1 1 91 91 SER CA C 13 58.608 0.035 . 1 . . . . . 488 SER CA . 18265 1 597 . 1 1 91 91 SER CB C 13 63.844 0.08 . 1 . . . . . 488 SER CB . 18265 1 598 . 1 1 91 91 SER N N 15 115.513 0.008 . 1 . . . . . 488 SER N . 18265 1 599 . 1 1 92 92 ASN HA H 1 4.7 0.004 . 1 . . . . . 489 ASN HA . 18265 1 600 . 1 1 92 92 ASN HB2 H 1 2.805 0.004 . 1 . . . . . 489 ASN QB . 18265 1 601 . 1 1 92 92 ASN HB3 H 1 2.805 0.004 . 1 . . . . . 489 ASN QB . 18265 1 602 . 1 1 92 92 ASN C C 13 175.161 0.003 . 1 . . . . . 489 ASN C . 18265 1 603 . 1 1 92 92 ASN CA C 13 53.339 0.08 . 1 . . . . . 489 ASN CA . 18265 1 604 . 1 1 92 92 ASN CB C 13 38.688 0.08 . 1 . . . . . 489 ASN CB . 18265 1 605 . 1 1 92 92 ASN N N 15 120.679 0.032 . 1 . . . . . 489 ASN N . 18265 1 606 . 1 1 93 93 ARG HA H 1 4.283 0.004 . 1 . . . . . 490 ARG HA . 18265 1 607 . 1 1 93 93 ARG HB2 H 1 1.783 0.004 . 1 . . . . . 490 ARG QB . 18265 1 608 . 1 1 93 93 ARG HB3 H 1 1.783 0.004 . 1 . . . . . 490 ARG QB . 18265 1 609 . 1 1 93 93 ARG C C 13 176.23 0.009 . 1 . . . . . 490 ARG C . 18265 1 610 . 1 1 93 93 ARG CA C 13 56.374 0.007 . 1 . . . . . 490 ARG CA . 18265 1 611 . 1 1 93 93 ARG CB C 13 30.692 0.08 . 1 . . . . . 490 ARG CB . 18265 1 612 . 1 1 93 93 ARG N N 15 121.246 0.03 . 1 . . . . . 490 ARG N . 18265 1 613 . 1 1 94 94 ARG HA H 1 4.292 0.004 . 1 . . . . . 491 ARG HA . 18265 1 614 . 1 1 94 94 ARG HB2 H 1 1.78 0.004 . 1 . . . . . 491 ARG QB . 18265 1 615 . 1 1 94 94 ARG HB3 H 1 1.78 0.004 . 1 . . . . . 491 ARG QB . 18265 1 616 . 1 1 94 94 ARG C C 13 176.309 0.018 . 1 . . . . . 491 ARG C . 18265 1 617 . 1 1 94 94 ARG CA C 13 56.25 0.048 . 1 . . . . . 491 ARG CA . 18265 1 618 . 1 1 94 94 ARG CB C 13 30.735 0.08 . 1 . . . . . 491 ARG CB . 18265 1 619 . 1 1 94 94 ARG N N 15 122.376 0.049 . 1 . . . . . 491 ARG N . 18265 1 620 . 1 1 95 95 GLU HA H 1 4.291 0.004 . 1 . . . . . 492 GLU HA . 18265 1 621 . 1 1 95 95 GLU HB2 H 1 2.03 0.004 . 1 . . . . . 492 GLU HB2 . 18265 1 622 . 1 1 95 95 GLU HB3 H 1 1.92 0.004 . 1 . . . . . 492 GLU HB3 . 18265 1 623 . 1 1 95 95 GLU C C 13 176.484 0.007 . 1 . . . . . 492 GLU C . 18265 1 624 . 1 1 95 95 GLU CA C 13 56.486 0.028 . 1 . . . . . 492 GLU CA . 18265 1 625 . 1 1 95 95 GLU CB C 13 30.174 0.08 . 1 . . . . . 492 GLU CB . 18265 1 626 . 1 1 95 95 GLU N N 15 122.368 0.043 . 1 . . . . . 492 GLU N . 18265 1 627 . 1 1 96 96 ARG HA H 1 4.294 0.004 . 1 . . . . . 493 ARG HA . 18265 1 628 . 1 1 96 96 ARG HB2 H 1 1.831 0.004 . 1 . . . . . 493 ARG QB . 18265 1 629 . 1 1 96 96 ARG HB3 H 1 1.831 0.004 . 1 . . . . . 493 ARG QB . 18265 1 630 . 1 1 96 96 ARG C C 13 176.838 0.08 . 1 . . . . . 493 ARG C . 18265 1 631 . 1 1 96 96 ARG CA C 13 56.54 0.027 . 1 . . . . . 493 ARG CA . 18265 1 632 . 1 1 96 96 ARG CB C 13 30.724 0.08 . 1 . . . . . 493 ARG CB . 18265 1 633 . 1 1 96 96 ARG N N 15 122.25 0.031 . 1 . . . . . 493 ARG N . 18265 1 634 . 1 1 97 97 GLY HA2 H 1 3.909 0.004 . 1 . . . . . 494 GLY QA . 18265 1 635 . 1 1 97 97 GLY HA3 H 1 3.909 0.004 . 1 . . . . . 494 GLY QA . 18265 1 636 . 1 1 97 97 GLY C C 13 173.305 0.004 . 1 . . . . . 494 GLY C . 18265 1 637 . 1 1 97 97 GLY CA C 13 44.966 0.08 . 1 . . . . . 494 GLY CA . 18265 1 638 . 1 1 97 97 GLY N N 15 110.25 0.052 . 1 . . . . . 494 GLY N . 18265 1 639 . 1 1 98 98 ALA HA H 1 4.561 0.004 . 1 . . . . . 495 ALA HA . 18265 1 640 . 1 1 98 98 ALA HB1 H 1 1.314 0.004 . 1 . . . . . 495 ALA MB . 18265 1 641 . 1 1 98 98 ALA HB2 H 1 1.314 0.004 . 1 . . . . . 495 ALA MB . 18265 1 642 . 1 1 98 98 ALA HB3 H 1 1.314 0.004 . 1 . . . . . 495 ALA MB . 18265 1 643 . 1 1 98 98 ALA C C 13 175.133 0.009 . 1 . . . . . 495 ALA C . 18265 1 644 . 1 1 98 98 ALA CA C 13 50.447 0.019 . 1 . . . . . 495 ALA CA . 18265 1 645 . 1 1 98 98 ALA CB C 13 18.217 0.08 . 1 . . . . . 495 ALA CB . 18265 1 646 . 1 1 98 98 ALA N N 15 124.882 0.009 . 1 . . . . . 495 ALA N . 18265 1 647 . 1 1 99 99 PRO HA H 1 4.662 0.004 . 1 . . . . . 496 PRO HA . 18265 1 648 . 1 1 99 99 PRO HB2 H 1 2.325 0.004 . 1 . . . . . 496 PRO HB2 . 18265 1 649 . 1 1 99 99 PRO HB3 H 1 1.86 0.004 . 1 . . . . . 496 PRO HB3 . 18265 1 650 . 1 1 99 99 PRO C C 13 174.606 0.004 . 1 . . . . . 496 PRO C . 18265 1 651 . 1 1 99 99 PRO CA C 13 61.438 0.008 . 1 . . . . . 496 PRO CA . 18265 1 652 . 1 1 99 99 PRO CB C 13 30.866 0.033 . 1 . . . . . 496 PRO CB . 18265 1 653 . 1 1 99 99 PRO N N 15 137.221 0.007 . 1 . . . . . 496 PRO N . 18265 1 654 . 1 1 100 100 PRO HA H 1 4.414 0.004 . 1 . . . . . 497 PRO HA . 18265 1 655 . 1 1 100 100 PRO HB2 H 1 2.234 0.004 . 1 . . . . . 497 PRO HB2 . 18265 1 656 . 1 1 100 100 PRO HB3 H 1 1.882 0.004 . 1 . . . . . 497 PRO HB3 . 18265 1 657 . 1 1 100 100 PRO C C 13 176.645 0.013 . 1 . . . . . 497 PRO C . 18265 1 658 . 1 1 100 100 PRO CA C 13 62.693 0.009 . 1 . . . . . 497 PRO CA . 18265 1 659 . 1 1 100 100 PRO CB C 13 31.952 0.013 . 1 . . . . . 497 PRO CB . 18265 1 660 . 1 1 100 100 PRO N N 15 134.926 0.004 . 1 . . . . . 497 PRO N . 18265 1 661 . 1 1 101 101 LEU HA H 1 4.559 0.004 . 1 . . . . . 498 LEU HA . 18265 1 662 . 1 1 101 101 LEU HB2 H 1 1.519 0.004 . 1 . . . . . 498 LEU QB . 18265 1 663 . 1 1 101 101 LEU HB3 H 1 1.519 0.004 . 1 . . . . . 498 LEU QB . 18265 1 664 . 1 1 101 101 LEU C C 13 174.938 0.005 . 1 . . . . . 498 LEU C . 18265 1 665 . 1 1 101 101 LEU CA C 13 52.95 0.002 . 1 . . . . . 498 LEU CA . 18265 1 666 . 1 1 101 101 LEU CB C 13 41.717 0.08 . 1 . . . . . 498 LEU CB . 18265 1 667 . 1 1 101 101 LEU N N 15 123.572 0.047 . 1 . . . . . 498 LEU N . 18265 1 668 . 1 1 102 102 PRO HA H 1 4.662 0.004 . 1 . . . . . 499 PRO HA . 18265 1 669 . 1 1 102 102 PRO HB2 H 1 2.322 0.004 . 1 . . . . . 499 PRO HB2 . 18265 1 670 . 1 1 102 102 PRO HB3 H 1 1.859 0.004 . 1 . . . . . 499 PRO HB3 . 18265 1 671 . 1 1 102 102 PRO C C 13 174.649 0.004 . 1 . . . . . 499 PRO C . 18265 1 672 . 1 1 102 102 PRO CA C 13 61.373 0.02 . 1 . . . . . 499 PRO CA . 18265 1 673 . 1 1 102 102 PRO CB C 13 30.846 0.022 . 1 . . . . . 499 PRO CB . 18265 1 674 . 1 1 102 102 PRO N N 15 137.397 0.008 . 1 . . . . . 499 PRO N . 18265 1 675 . 1 1 103 103 PRO HA H 1 4.435 0.004 . 1 . . . . . 500 PRO HA . 18265 1 676 . 1 1 103 103 PRO HB2 H 1 2.218 0.004 . 1 . . . . . 500 PRO HB2 . 18265 1 677 . 1 1 103 103 PRO HB3 H 1 1.842 0.004 . 1 . . . . . 500 PRO HB3 . 18265 1 678 . 1 1 103 103 PRO C C 13 176.68 0.002 . 1 . . . . . 500 PRO C . 18265 1 679 . 1 1 103 103 PRO CA C 13 62.643 0.004 . 1 . . . . . 500 PRO CA . 18265 1 680 . 1 1 103 103 PRO CB C 13 31.949 0.043 . 1 . . . . . 500 PRO CB . 18265 1 681 . 1 1 103 103 PRO N N 15 134.865 0.008 . 1 . . . . . 500 PRO N . 18265 1 682 . 1 1 104 104 ILE HA H 1 4.383 0.004 . 1 . . . . . 501 ILE HA . 18265 1 683 . 1 1 104 104 ILE HB H 1 1.801 0.004 . 1 . . . . . 501 ILE HB . 18265 1 684 . 1 1 104 104 ILE C C 13 174.847 0.008 . 1 . . . . . 501 ILE C . 18265 1 685 . 1 1 104 104 ILE CA C 13 58.782 0.013 . 1 . . . . . 501 ILE CA . 18265 1 686 . 1 1 104 104 ILE CB C 13 38.487 0.08 . 1 . . . . . 501 ILE CB . 18265 1 687 . 1 1 104 104 ILE N N 15 122.398 0.029 . 1 . . . . . 501 ILE N . 18265 1 688 . 1 1 105 105 PRO HA H 1 4.375 0.004 . 1 . . . . . 502 PRO HA . 18265 1 689 . 1 1 105 105 PRO HB2 H 1 2.27 0.004 . 1 . . . . . 502 PRO HB2 . 18265 1 690 . 1 1 105 105 PRO HB3 H 1 1.839 0.004 . 1 . . . . . 502 PRO HB3 . 18265 1 691 . 1 1 105 105 PRO C C 13 176.676 0.005 . 1 . . . . . 502 PRO C . 18265 1 692 . 1 1 105 105 PRO CA C 13 63.257 0.054 . 1 . . . . . 502 PRO CA . 18265 1 693 . 1 1 105 105 PRO CB C 13 32.105 0.016 . 1 . . . . . 502 PRO CB . 18265 1 694 . 1 1 105 105 PRO N N 15 140.12 0.003 . 1 . . . . . 502 PRO N . 18265 1 695 . 1 1 106 106 ARG HA H 1 4.278 0.004 . 1 . . . . . 503 ARG HA . 18265 1 696 . 1 1 106 106 ARG HB2 H 1 1.766 0.004 . 1 . . . . . 503 ARG QB . 18265 1 697 . 1 1 106 106 ARG HB3 H 1 1.766 0.004 . 1 . . . . . 503 ARG QB . 18265 1 698 . 1 1 106 106 ARG C C 13 176.119 0.004 . 1 . . . . . 503 ARG C . 18265 1 699 . 1 1 106 106 ARG CA C 13 56.049 0.03 . 1 . . . . . 503 ARG CA . 18265 1 700 . 1 1 106 106 ARG CB C 13 30.776 0.08 . 1 . . . . . 503 ARG CB . 18265 1 701 . 1 1 106 106 ARG N N 15 121.546 0.023 . 1 . . . . . 503 ARG N . 18265 1 702 . 1 1 107 107 LEU HA H 1 4.313 0.004 . 1 . . . . . 504 LEU HA . 18265 1 703 . 1 1 107 107 LEU HB2 H 1 1.515 0.004 . 1 . . . . . 504 LEU QB . 18265 1 704 . 1 1 107 107 LEU HB3 H 1 1.515 0.004 . 1 . . . . . 504 LEU QB . 18265 1 705 . 1 1 107 107 LEU C C 13 176.905 0.004 . 1 . . . . . 504 LEU C . 18265 1 706 . 1 1 107 107 LEU CA C 13 54.911 0.025 . 1 . . . . . 504 LEU CA . 18265 1 707 . 1 1 107 107 LEU CB C 13 42.388 0.08 . 1 . . . . . 504 LEU CB . 18265 1 708 . 1 1 107 107 LEU N N 15 123.898 0.009 . 1 . . . . . 504 LEU N . 18265 1 709 . 1 1 108 108 GLU HA H 1 4.224 0.004 . 1 . . . . . 505 GLU HA . 18265 1 710 . 1 1 108 108 GLU HB2 H 1 1.846 0.004 . 1 . . . . . 505 GLU QB . 18265 1 711 . 1 1 108 108 GLU HB3 H 1 1.846 0.004 . 1 . . . . . 505 GLU QB . 18265 1 712 . 1 1 108 108 GLU C C 13 176.022 0.08 . 1 . . . . . 505 GLU C . 18265 1 713 . 1 1 108 108 GLU CA C 13 56.111 0.03 . 1 . . . . . 505 GLU CA . 18265 1 714 . 1 1 108 108 GLU CB C 13 30.583 0.08 . 1 . . . . . 505 GLU CB . 18265 1 715 . 1 1 108 108 GLU N N 15 122.253 0.023 . 1 . . . . . 505 GLU N . 18265 1 716 . 1 1 109 109 HIS HA H 1 4.646 0.004 . 1 . . . . . 506 HIS HA . 18265 1 717 . 1 1 109 109 HIS HB2 H 1 3.109 0.004 . 1 . . . . . 506 HIS QB . 18265 1 718 . 1 1 109 109 HIS HB3 H 1 3.109 0.004 . 1 . . . . . 506 HIS QB . 18265 1 719 . 1 1 109 109 HIS C C 13 174.303 0.003 . 1 . . . . . 506 HIS C . 18265 1 720 . 1 1 109 109 HIS CA C 13 55.276 0.1 . 1 . . . . . 506 HIS CA . 18265 1 721 . 1 1 109 109 HIS CB C 13 29.36 0.08 . 1 . . . . . 506 HIS CB . 18265 1 722 . 1 1 109 109 HIS N N 15 119.91 0.016 . 1 . . . . . 506 HIS N . 18265 1 723 . 1 1 110 110 HIS HA H 1 4.626 0.004 . 1 . . . . . 507 HIS HA . 18265 1 724 . 1 1 110 110 HIS HB2 H 1 3.107 0.004 . 1 . . . . . 507 HIS QB . 18265 1 725 . 1 1 110 110 HIS HB3 H 1 3.107 0.004 . 1 . . . . . 507 HIS QB . 18265 1 726 . 1 1 110 110 HIS C C 13 174.282 0.013 . 1 . . . . . 507 HIS C . 18265 1 727 . 1 1 110 110 HIS CA C 13 55.374 0.055 . 1 . . . . . 507 HIS CA . 18265 1 728 . 1 1 110 110 HIS CB C 13 29.425 0.08 . 1 . . . . . 507 HIS CB . 18265 1 729 . 1 1 110 110 HIS N N 15 119.784 0.004 . 1 . . . . . 507 HIS N . 18265 1 730 . 1 1 111 111 HIS HA H 1 4.636 0.004 . 1 . . . . . 508 HIS HA . 18265 1 731 . 1 1 111 111 HIS HB2 H 1 3.092 0.004 . 1 . . . . . 508 HIS QB . 18265 1 732 . 1 1 111 111 HIS HB3 H 1 3.092 0.004 . 1 . . . . . 508 HIS QB . 18265 1 733 . 1 1 111 111 HIS C C 13 174.355 0.012 . 1 . . . . . 508 HIS C . 18265 1 734 . 1 1 111 111 HIS CA C 13 55.489 0.039 . 1 . . . . . 508 HIS CA . 18265 1 735 . 1 1 111 111 HIS CB C 13 29.436 0.08 . 1 . . . . . 508 HIS CB . 18265 1 736 . 1 1 111 111 HIS N N 15 120.204 0.021 . 1 . . . . . 508 HIS N . 18265 1 737 . 1 1 112 112 HIS HA H 1 4.645 0.004 . 1 . . . . . 509 HIS HA . 18265 1 738 . 1 1 112 112 HIS HB2 H 1 3.118 0.004 . 1 . . . . . 509 HIS QB . 18265 1 739 . 1 1 112 112 HIS HB3 H 1 3.118 0.004 . 1 . . . . . 509 HIS QB . 18265 1 740 . 1 1 112 112 HIS C C 13 174.189 0.012 . 1 . . . . . 509 HIS C . 18265 1 741 . 1 1 112 112 HIS CA C 13 55.486 0.008 . 1 . . . . . 509 HIS CA . 18265 1 742 . 1 1 112 112 HIS CB C 13 29.492 0.08 . 1 . . . . . 509 HIS CB . 18265 1 743 . 1 1 112 112 HIS N N 15 120.693 0.032 . 1 . . . . . 509 HIS N . 18265 1 744 . 1 1 113 113 HIS HA H 1 4.615 0.004 . 1 . . . . . 510 HIS HA . 18265 1 745 . 1 1 113 113 HIS HB2 H 1 3.188 0.004 . 1 . . . . . 510 HIS QB . 18265 1 746 . 1 1 113 113 HIS HB3 H 1 3.188 0.004 . 1 . . . . . 510 HIS QB . 18265 1 747 . 1 1 113 113 HIS C C 13 173.603 0.013 . 1 . . . . . 510 HIS C . 18265 1 748 . 1 1 113 113 HIS CA C 13 55.631 0.028 . 1 . . . . . 510 HIS CA . 18265 1 749 . 1 1 113 113 HIS CB C 13 29.506 0.08 . 1 . . . . . 510 HIS CB . 18265 1 750 . 1 1 113 113 HIS N N 15 120.669 0.022 . 1 . . . . . 510 HIS N . 18265 1 751 . 1 1 114 114 HIS C C 13 178.893 0.08 . 1 . . . . . 511 HIS C . 18265 1 752 . 1 1 114 114 HIS CA C 13 57.171 0.08 . 1 . . . . . 511 HIS CA . 18265 1 753 . 1 1 114 114 HIS N N 15 125.572 0.032 . 1 . . . . . 511 HIS N . 18265 1 stop_ save_