data_4908 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4908 _Entry.Title ; Assignment of 1H, 13C and 15N resonances of the a'-domain of ERp57 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-12-01 _Entry.Accession_date 2000-12-04 _Entry.Last_release_date 2001-11-14 _Entry.Original_release_date 2001-11-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Laura Silvennoinen . . . 4908 2 Paivi Karvonen . . . 4908 3 Peppi Koivunen . . . 4908 4 Johanna Myllyharju . . . 4908 5 Kari Kivirikko . I. . 4908 6 Ilkka Kilpelainen . . . 4908 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4908 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 398 4908 '13C chemical shifts' 312 4908 '15N chemical shifts' 95 4908 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 . . 2001-11-14 2000-12-01 original author . 4908 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4908 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21447268 _Citation.DOI . _Citation.PubMed_ID 11563561 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignment of 1H, 13C and 15N Resonances of the a'-domain of ERp57 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 385 _Citation.Page_last 386 _Citation.Year 2001 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Laura Silvennoinen . . . 4908 1 2 Paivi Karvonen . . . 4908 1 3 Peppi Koivunen . . . 4908 1 4 Johanna Myllyharju . . . 4908 1 5 Kari Kivirikko . I. . 4908 1 6 Ilkka Kilpelainen . . . 4908 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ERp57 4908 1 MTP 4908 1 'prolyl 4-hydroxylase' 4908 1 'protein disulfide isomerase' 4908 1 thioredoxin 4908 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ERp57 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ERp57 _Assembly.Entry_ID 4908 _Assembly.ID 1 _Assembly.Name 'a'-domain of ERp57' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4908 1 stop_ 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 'ERp57 a'-domain' 1 $ERp57 . . . native . . . . . 4908 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'a'-domain of ERp57' system 4908 1 ERp57 abbreviation 4908 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ERp57 _Entity.Sf_category entity _Entity.Sf_framecode ERp57 _Entity.Entry_ID 4908 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ERp57 _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 ; SNDGPVKVVVAENFDEIVNN ENKDVLIEFYAPWCGHCKNL EPKYKELGEKLSKDPNIVIA KMDATANDVPSPYEVRGFPT IYFSPANKKLNPKKYEGGRE LSDFISYLQREATNPPVIQE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 13576 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11102 . "thioredoxin domain" . . . . . 96.67 142 98.28 99.14 2.42e-76 . . . . 4908 1 2 no PDB 2DMM . "The Solution Structure Of The Second Thioredoxin Domain Of Human Protein Disulfide-Isomerase A3" . . . . . 96.67 142 98.28 99.14 2.42e-76 . . . . 4908 1 3 no DBJ BAG56782 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 279 100.00 100.00 2.79e-80 . . . . 4908 1 4 no GB ABQ22414 . "disulfide-isomerase A3 precursor-like protein [Callithrix jacchus]" . . . . . 100.00 135 99.17 100.00 2.04e-80 . . . . 4908 1 5 no GB ACA57910 . "protein disulfide isomerase-associated 3 precursor (predicted) [Callicebus moloch]" . . . . . 100.00 301 99.17 100.00 9.63e-80 . . . . 4908 1 6 no GB EQB77541 . "protein disulfide isomerase-associated 3 precursor-like protein [Camelus ferus]" . . . . . 80.00 417 97.92 98.96 8.89e-59 . . . . 4908 1 7 no REF XP_004056140 . "PREDICTED: protein disulfide-isomerase A3 [Gorilla gorilla gorilla]" . . . . . 100.00 279 100.00 100.00 4.91e-80 . . . . 4908 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ERp57 common 4908 1 ERp57 abbreviation 4908 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 1 349 SER . 4908 1 2 350 ASN . 4908 1 3 351 ASP . 4908 1 4 352 GLY . 4908 1 5 353 PRO . 4908 1 6 354 VAL . 4908 1 7 355 LYS . 4908 1 8 356 VAL . 4908 1 9 357 VAL . 4908 1 10 358 VAL . 4908 1 11 359 ALA . 4908 1 12 360 GLU . 4908 1 13 361 ASN . 4908 1 14 362 PHE . 4908 1 15 363 ASP . 4908 1 16 364 GLU . 4908 1 17 365 ILE . 4908 1 18 366 VAL . 4908 1 19 367 ASN . 4908 1 20 368 ASN . 4908 1 21 369 GLU . 4908 1 22 370 ASN . 4908 1 23 371 LYS . 4908 1 24 372 ASP . 4908 1 25 373 VAL . 4908 1 26 374 LEU . 4908 1 27 375 ILE . 4908 1 28 376 GLU . 4908 1 29 377 PHE . 4908 1 30 378 TYR . 4908 1 31 379 ALA . 4908 1 32 380 PRO . 4908 1 33 381 TRP . 4908 1 34 382 CYS . 4908 1 35 383 GLY . 4908 1 36 384 HIS . 4908 1 37 385 CYS . 4908 1 38 386 LYS . 4908 1 39 387 ASN . 4908 1 40 388 LEU . 4908 1 41 389 GLU . 4908 1 42 390 PRO . 4908 1 43 391 LYS . 4908 1 44 392 TYR . 4908 1 45 393 LYS . 4908 1 46 394 GLU . 4908 1 47 395 LEU . 4908 1 48 396 GLY . 4908 1 49 397 GLU . 4908 1 50 398 LYS . 4908 1 51 399 LEU . 4908 1 52 400 SER . 4908 1 53 401 LYS . 4908 1 54 402 ASP . 4908 1 55 403 PRO . 4908 1 56 404 ASN . 4908 1 57 405 ILE . 4908 1 58 406 VAL . 4908 1 59 407 ILE . 4908 1 60 408 ALA . 4908 1 61 409 LYS . 4908 1 62 410 MET . 4908 1 63 411 ASP . 4908 1 64 412 ALA . 4908 1 65 413 THR . 4908 1 66 414 ALA . 4908 1 67 415 ASN . 4908 1 68 416 ASP . 4908 1 69 417 VAL . 4908 1 70 418 PRO . 4908 1 71 419 SER . 4908 1 72 420 PRO . 4908 1 73 421 TYR . 4908 1 74 422 GLU . 4908 1 75 423 VAL . 4908 1 76 424 ARG . 4908 1 77 425 GLY . 4908 1 78 426 PHE . 4908 1 79 427 PRO . 4908 1 80 428 THR . 4908 1 81 429 ILE . 4908 1 82 430 TYR . 4908 1 83 431 PHE . 4908 1 84 432 SER . 4908 1 85 433 PRO . 4908 1 86 434 ALA . 4908 1 87 435 ASN . 4908 1 88 436 LYS . 4908 1 89 437 LYS . 4908 1 90 438 LEU . 4908 1 91 439 ASN . 4908 1 92 440 PRO . 4908 1 93 441 LYS . 4908 1 94 442 LYS . 4908 1 95 443 TYR . 4908 1 96 444 GLU . 4908 1 97 445 GLY . 4908 1 98 446 GLY . 4908 1 99 447 ARG . 4908 1 100 448 GLU . 4908 1 101 449 LEU . 4908 1 102 450 SER . 4908 1 103 451 ASP . 4908 1 104 452 PHE . 4908 1 105 453 ILE . 4908 1 106 454 SER . 4908 1 107 455 TYR . 4908 1 108 456 LEU . 4908 1 109 457 GLN . 4908 1 110 458 ARG . 4908 1 111 459 GLU . 4908 1 112 460 ALA . 4908 1 113 461 THR . 4908 1 114 462 ASN . 4908 1 115 463 PRO . 4908 1 116 464 PRO . 4908 1 117 465 VAL . 4908 1 118 466 ILE . 4908 1 119 467 GLN . 4908 1 120 468 GLU . 4908 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 . SER 1 1 4908 1 . ASN 2 2 4908 1 . ASP 3 3 4908 1 . GLY 4 4 4908 1 . PRO 5 5 4908 1 . VAL 6 6 4908 1 . LYS 7 7 4908 1 . VAL 8 8 4908 1 . VAL 9 9 4908 1 . VAL 10 10 4908 1 . ALA 11 11 4908 1 . GLU 12 12 4908 1 . ASN 13 13 4908 1 . PHE 14 14 4908 1 . ASP 15 15 4908 1 . GLU 16 16 4908 1 . ILE 17 17 4908 1 . VAL 18 18 4908 1 . ASN 19 19 4908 1 . ASN 20 20 4908 1 . GLU 21 21 4908 1 . ASN 22 22 4908 1 . LYS 23 23 4908 1 . ASP 24 24 4908 1 . VAL 25 25 4908 1 . LEU 26 26 4908 1 . ILE 27 27 4908 1 . GLU 28 28 4908 1 . PHE 29 29 4908 1 . TYR 30 30 4908 1 . ALA 31 31 4908 1 . PRO 32 32 4908 1 . TRP 33 33 4908 1 . CYS 34 34 4908 1 . GLY 35 35 4908 1 . HIS 36 36 4908 1 . CYS 37 37 4908 1 . LYS 38 38 4908 1 . ASN 39 39 4908 1 . LEU 40 40 4908 1 . GLU 41 41 4908 1 . PRO 42 42 4908 1 . LYS 43 43 4908 1 . TYR 44 44 4908 1 . LYS 45 45 4908 1 . GLU 46 46 4908 1 . LEU 47 47 4908 1 . GLY 48 48 4908 1 . GLU 49 49 4908 1 . LYS 50 50 4908 1 . LEU 51 51 4908 1 . SER 52 52 4908 1 . LYS 53 53 4908 1 . ASP 54 54 4908 1 . PRO 55 55 4908 1 . ASN 56 56 4908 1 . ILE 57 57 4908 1 . VAL 58 58 4908 1 . ILE 59 59 4908 1 . ALA 60 60 4908 1 . LYS 61 61 4908 1 . MET 62 62 4908 1 . ASP 63 63 4908 1 . ALA 64 64 4908 1 . THR 65 65 4908 1 . ALA 66 66 4908 1 . ASN 67 67 4908 1 . ASP 68 68 4908 1 . VAL 69 69 4908 1 . PRO 70 70 4908 1 . SER 71 71 4908 1 . PRO 72 72 4908 1 . TYR 73 73 4908 1 . GLU 74 74 4908 1 . VAL 75 75 4908 1 . ARG 76 76 4908 1 . GLY 77 77 4908 1 . PHE 78 78 4908 1 . PRO 79 79 4908 1 . THR 80 80 4908 1 . ILE 81 81 4908 1 . TYR 82 82 4908 1 . PHE 83 83 4908 1 . SER 84 84 4908 1 . PRO 85 85 4908 1 . ALA 86 86 4908 1 . ASN 87 87 4908 1 . LYS 88 88 4908 1 . LYS 89 89 4908 1 . LEU 90 90 4908 1 . ASN 91 91 4908 1 . PRO 92 92 4908 1 . LYS 93 93 4908 1 . LYS 94 94 4908 1 . TYR 95 95 4908 1 . GLU 96 96 4908 1 . GLY 97 97 4908 1 . GLY 98 98 4908 1 . ARG 99 99 4908 1 . GLU 100 100 4908 1 . LEU 101 101 4908 1 . SER 102 102 4908 1 . ASP 103 103 4908 1 . PHE 104 104 4908 1 . ILE 105 105 4908 1 . SER 106 106 4908 1 . TYR 107 107 4908 1 . LEU 108 108 4908 1 . GLN 109 109 4908 1 . ARG 110 110 4908 1 . GLU 111 111 4908 1 . ALA 112 112 4908 1 . THR 113 113 4908 1 . ASN 114 114 4908 1 . PRO 115 115 4908 1 . PRO 116 116 4908 1 . VAL 117 117 4908 1 . ILE 118 118 4908 1 . GLN 119 119 4908 1 . GLU 120 120 4908 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 4908 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ERp57 . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4908 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 4908 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ERp57 . 'recombinant technology' 'Escherichia coli' E.coli . . Escherichia coli SG13009[pREP4] . . . . . . . . . . . . plasmid . . pQE-30 . . . . . . 4908 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4908 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 ERp57 [U-15N] . . 1 $ERp57 . . 1.4 . . mM . . . . 4908 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4908 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 ERp57 '[U-13C; U-15N]' . . 1 $ERp57 . . 2.6 . . mM . . . . 4908 2 stop_ save_ ####################### # Sample conditions # ####################### save_EXP1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode EXP1 _Sample_condition_list.Entry_ID 4908 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.16 0.2 n/a 4908 1 temperature 303 2 K 4908 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 4908 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 4908 _Software.ID 2 _Software.Name Felix _Software.Version . _Software.Details . save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4908 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . 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 4908 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4908 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4908 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian Inova . 600 . . . 4908 1 2 NMR_spectrometer_2 Varian Inova . 800 . . . 4908 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 4908 _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 1H-15N-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4908 1 2 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4908 1 3 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4908 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4908 1 5 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4908 1 6 CC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4908 1 7 '15N-edited TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4908 1 8 '15N-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4908 1 9 '13C-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4908 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4908 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H-15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4908 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4908 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4908 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4908 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4908 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CC(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4908 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '15N-edited TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4908 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '15N-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4908 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '13C-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4908 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 external . . . . temperature . . . 4908 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.10132905 external . . . . temperature . . . 4908 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.25144952 external . . . . temperature . . . 4908 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4908 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $EXP1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4908 1 . . 2 $sample_2 . 4908 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER H H 1 8.43 . . 1 . . . . . . . . 4908 1 2 . 1 1 1 1 SER HA H 1 4.66 . . 1 . . . . . . . . 4908 1 3 . 1 1 1 1 SER HB2 H 1 3.86 . . 2 . . . . . . . . 4908 1 4 . 1 1 1 1 SER C C 13 173.26 . . 1 . . . . . . . . 4908 1 5 . 1 1 1 1 SER CA C 13 58.41 . . 1 . . . . . . . . 4908 1 6 . 1 1 1 1 SER CB C 13 63.74 . . 1 . . . . . . . . 4908 1 7 . 1 1 1 1 SER N N 15 118.28 . . 1 . . . . . . . . 4908 1 8 . 1 1 2 2 ASN H H 1 8.46 . . 1 . . . . . . . . 4908 1 9 . 1 1 2 2 ASN HA H 1 4.67 . . 1 . . . . . . . . 4908 1 10 . 1 1 2 2 ASN C C 13 172.79 . . 1 . . . . . . . . 4908 1 11 . 1 1 2 2 ASN CA C 13 53.10 . . 1 . . . . . . . . 4908 1 12 . 1 1 2 2 ASN CB C 13 39.09 . . 1 . . . . . . . . 4908 1 13 . 1 1 2 2 ASN N N 15 121.40 . . 1 . . . . . . . . 4908 1 14 . 1 1 3 3 ASP H H 1 8.28 . . 1 . . . . . . . . 4908 1 15 . 1 1 3 3 ASP HA H 1 4.67 . . 1 . . . . . . . . 4908 1 16 . 1 1 3 3 ASP HB2 H 1 2.63 . . 2 . . . . . . . . 4908 1 17 . 1 1 3 3 ASP C C 13 173.15 . . 1 . . . . . . . . 4908 1 18 . 1 1 3 3 ASP CA C 13 54.15 . . 1 . . . . . . . . 4908 1 19 . 1 1 3 3 ASP CB C 13 41.31 . . 1 . . . . . . . . 4908 1 20 . 1 1 3 3 ASP N N 15 121.20 . . 1 . . . . . . . . 4908 1 21 . 1 1 4 4 GLY H H 1 8.18 . . 1 . . . . . . . . 4908 1 22 . 1 1 4 4 GLY HA2 H 1 4.07 . . 2 . . . . . . . . 4908 1 23 . 1 1 4 4 GLY C C 13 174.92 . . 1 . . . . . . . . 4908 1 24 . 1 1 4 4 GLY CA C 13 44.62 . . 1 . . . . . . . . 4908 1 25 . 1 1 4 4 GLY N N 15 109.87 . . 1 . . . . . . . . 4908 1 26 . 1 1 5 5 PRO HA H 1 4.32 . . 1 . . . . . . . . 4908 1 27 . 1 1 5 5 PRO CA C 13 64.09 . . 1 . . . . . . . . 4908 1 28 . 1 1 6 6 VAL H H 1 7.28 . . 1 . . . . . . . . 4908 1 29 . 1 1 6 6 VAL HA H 1 4.13 . . 1 . . . . . . . . 4908 1 30 . 1 1 6 6 VAL HB H 1 1.88 . . 1 . . . . . . . . 4908 1 31 . 1 1 6 6 VAL HG11 H 1 0.79 . . 2 . . . . . . . . 4908 1 32 . 1 1 6 6 VAL HG12 H 1 0.79 . . 2 . . . . . . . . 4908 1 33 . 1 1 6 6 VAL HG13 H 1 0.79 . . 2 . . . . . . . . 4908 1 34 . 1 1 6 6 VAL C C 13 174.43 . . 1 . . . . . . . . 4908 1 35 . 1 1 6 6 VAL CA C 13 61.17 . . 1 . . . . . . . . 4908 1 36 . 1 1 6 6 VAL CB C 13 32.50 . . 1 . . . . . . . . 4908 1 37 . 1 1 6 6 VAL N N 15 118.19 . . 1 . . . . . . . . 4908 1 38 . 1 1 7 7 LYS H H 1 9.07 . . 1 . . . . . . . . 4908 1 39 . 1 1 7 7 LYS HA H 1 4.23 . . 1 . . . . . . . . 4908 1 40 . 1 1 7 7 LYS HB2 H 1 1.63 . . 2 . . . . . . . . 4908 1 41 . 1 1 7 7 LYS C C 13 174.29 . . 1 . . . . . . . . 4908 1 42 . 1 1 7 7 LYS CA C 13 55.30 . . 1 . . . . . . . . 4908 1 43 . 1 1 7 7 LYS CB C 13 32.17 . . 1 . . . . . . . . 4908 1 44 . 1 1 7 7 LYS N N 15 129.47 . . 1 . . . . . . . . 4908 1 45 . 1 1 8 8 VAL H H 1 8.49 . . 1 . . . . . . . . 4908 1 46 . 1 1 8 8 VAL HA H 1 4.08 . . 1 . . . . . . . . 4908 1 47 . 1 1 8 8 VAL HB H 1 1.96 . . 1 . . . . . . . . 4908 1 48 . 1 1 8 8 VAL HG11 H 1 0.94 . . 2 . . . . . . . . 4908 1 49 . 1 1 8 8 VAL HG12 H 1 0.94 . . 2 . . . . . . . . 4908 1 50 . 1 1 8 8 VAL HG13 H 1 0.94 . . 2 . . . . . . . . 4908 1 51 . 1 1 8 8 VAL C C 13 173.91 . . 1 . . . . . . . . 4908 1 52 . 1 1 8 8 VAL CA C 13 63.47 . . 1 . . . . . . . . 4908 1 53 . 1 1 8 8 VAL CB C 13 31.94 . . 1 . . . . . . . . 4908 1 54 . 1 1 8 8 VAL N N 15 126.33 . . 1 . . . . . . . . 4908 1 55 . 1 1 9 9 VAL H H 1 8.94 . . 1 . . . . . . . . 4908 1 56 . 1 1 9 9 VAL HA H 1 4.47 . . 1 . . . . . . . . 4908 1 57 . 1 1 9 9 VAL HB H 1 1.66 . . 1 . . . . . . . . 4908 1 58 . 1 1 9 9 VAL HG11 H 1 0.95 . . 1 . . . . . . . . 4908 1 59 . 1 1 9 9 VAL HG12 H 1 0.95 . . 1 . . . . . . . . 4908 1 60 . 1 1 9 9 VAL HG13 H 1 0.95 . . 1 . . . . . . . . 4908 1 61 . 1 1 9 9 VAL HG21 H 1 0.59 . . 1 . . . . . . . . 4908 1 62 . 1 1 9 9 VAL HG22 H 1 0.59 . . 1 . . . . . . . . 4908 1 63 . 1 1 9 9 VAL HG23 H 1 0.59 . . 1 . . . . . . . . 4908 1 64 . 1 1 9 9 VAL C C 13 173.83 . . 1 . . . . . . . . 4908 1 65 . 1 1 9 9 VAL CA C 13 60.86 . . 1 . . . . . . . . 4908 1 66 . 1 1 9 9 VAL CB C 13 33.2 . . 1 . . . . . . . . 4908 1 67 . 1 1 9 9 VAL N N 15 131.49 . . 1 . . . . . . . . 4908 1 68 . 1 1 10 10 VAL H H 1 9.25 . . 1 . . . . . . . . 4908 1 69 . 1 1 10 10 VAL HA H 1 4.54 . . 1 . . . . . . . . 4908 1 70 . 1 1 10 10 VAL C C 13 173.03 . . 1 . . . . . . . . 4908 1 71 . 1 1 10 10 VAL CA C 13 58.84 . . 1 . . . . . . . . 4908 1 72 . 1 1 10 10 VAL CB C 13 35.28 . . 1 . . . . . . . . 4908 1 73 . 1 1 10 10 VAL N N 15 120.83 . . 1 . . . . . . . . 4908 1 74 . 1 1 11 11 ALA H H 1 8.17 . . 1 . . . . . . . . 4908 1 75 . 1 1 11 11 ALA HA H 1 4.74 . . 1 . . . . . . . . 4908 1 76 . 1 1 11 11 ALA C C 13 174.81 . . 1 . . . . . . . . 4908 1 77 . 1 1 11 11 ALA CA C 13 56.51 . . 1 . . . . . . . . 4908 1 78 . 1 1 11 11 ALA CB C 13 18.40 . . 1 . . . . . . . . 4908 1 79 . 1 1 11 11 ALA N N 15 123.54 . . 1 . . . . . . . . 4908 1 80 . 1 1 12 12 GLU H H 1 9.04 . . 1 . . . . . . . . 4908 1 81 . 1 1 12 12 GLU HA H 1 4.17 . . 1 . . . . . . . . 4908 1 82 . 1 1 12 12 GLU HB2 H 1 2.03 . . 2 . . . . . . . . 4908 1 83 . 1 1 12 12 GLU HB3 H 1 2.35 . . 4 . . . . . . . . 4908 1 84 . 1 1 12 12 GLU C C 13 179.54 . . 1 . . . . . . . . 4908 1 85 . 1 1 12 12 GLU CA C 13 59.33 . . 1 . . . . . . . . 4908 1 86 . 1 1 12 12 GLU CB C 13 29.44 . . 1 . . . . . . . . 4908 1 87 . 1 1 12 12 GLU N N 15 113.73 . . 1 . . . . . . . . 4908 1 88 . 1 1 13 13 ASN H H 1 7.46 . . 1 . . . . . . . . 4908 1 89 . 1 1 13 13 ASN HA H 1 5.21 . . 1 . . . . . . . . 4908 1 90 . 1 1 13 13 ASN HB2 H 1 3.29 . . 2 . . . . . . . . 4908 1 91 . 1 1 13 13 ASN HB3 H 1 2.64 . . 2 . . . . . . . . 4908 1 92 . 1 1 13 13 ASN C C 13 175.31 . . 1 . . . . . . . . 4908 1 93 . 1 1 13 13 ASN CA C 13 51.61 . . 1 . . . . . . . . 4908 1 94 . 1 1 13 13 ASN CB C 13 38.73 . . 1 . . . . . . . . 4908 1 95 . 1 1 13 13 ASN N N 15 115.46 . . 1 . . . . . . . . 4908 1 96 . 1 1 14 14 PHE C C 13 174.01 . . 1 . . . . . . . . 4908 1 97 . 1 1 14 14 PHE CA C 13 62.47 . . 1 . . . . . . . . 4908 1 98 . 1 1 15 15 ASP H H 1 8.91 . . 1 . . . . . . . . 4908 1 99 . 1 1 15 15 ASP HA H 1 4.43 . . 1 . . . . . . . . 4908 1 100 . 1 1 15 15 ASP HB2 H 1 2.70 . . 2 . . . . . . . . 4908 1 101 . 1 1 15 15 ASP C C 13 176.23 . . 1 . . . . . . . . 4908 1 102 . 1 1 15 15 ASP CA C 13 57.90 . . 1 . . . . . . . . 4908 1 103 . 1 1 15 15 ASP CB C 13 40.60 . . 1 . . . . . . . . 4908 1 104 . 1 1 15 15 ASP N N 15 118.31 . . 1 . . . . . . . . 4908 1 105 . 1 1 16 16 GLU H H 1 7.92 . . 1 . . . . . . . . 4908 1 106 . 1 1 16 16 GLU HA H 1 3.87 . . 1 . . . . . . . . 4908 1 107 . 1 1 16 16 GLU HB2 H 1 2.20 . . 2 . . . . . . . . 4908 1 108 . 1 1 16 16 GLU HB3 H 1 2.05 . . 2 . . . . . . . . 4908 1 109 . 1 1 16 16 GLU C C 13 176.81 . . 1 . . . . . . . . 4908 1 110 . 1 1 16 16 GLU CA C 13 58.47 . . 1 . . . . . . . . 4908 1 111 . 1 1 16 16 GLU CB C 13 29.73 . . 1 . . . . . . . . 4908 1 112 . 1 1 16 16 GLU N N 15 119.30 . . 1 . . . . . . . . 4908 1 113 . 1 1 17 17 ILE H H 1 7.73 . . 1 . . . . . . . . 4908 1 114 . 1 1 17 17 ILE HA H 1 3.97 . . 1 . . . . . . . . 4908 1 115 . 1 1 17 17 ILE HB H 1 1.49 . . 4 . . . . . . . . 4908 1 116 . 1 1 17 17 ILE HG21 H 1 0.52 . . 4 . . . . . . . . 4908 1 117 . 1 1 17 17 ILE HG22 H 1 0.52 . . 4 . . . . . . . . 4908 1 118 . 1 1 17 17 ILE HG23 H 1 0.52 . . 4 . . . . . . . . 4908 1 119 . 1 1 17 17 ILE C C 13 175.87 . . 1 . . . . . . . . 4908 1 120 . 1 1 17 17 ILE CA C 13 62.43 . . 1 . . . . . . . . 4908 1 121 . 1 1 17 17 ILE CB C 13 38.22 . . 1 . . . . . . . . 4908 1 122 . 1 1 17 17 ILE N N 15 116.13 . . 1 . . . . . . . . 4908 1 123 . 1 1 18 18 VAL H H 1 8.33 . . 1 . . . . . . . . 4908 1 124 . 1 1 18 18 VAL HA H 1 3.30 . . 1 . . . . . . . . 4908 1 125 . 1 1 18 18 VAL HB H 1 1.07 . . 4 . . . . . . . . 4908 1 126 . 1 1 18 18 VAL HG11 H 1 0.54 . . 4 . . . . . . . . 4908 1 127 . 1 1 18 18 VAL HG12 H 1 0.54 . . 4 . . . . . . . . 4908 1 128 . 1 1 18 18 VAL HG13 H 1 0.54 . . 4 . . . . . . . . 4908 1 129 . 1 1 18 18 VAL C C 13 175.16 . . 1 . . . . . . . . 4908 1 130 . 1 1 18 18 VAL CA C 13 65.36 . . 1 . . . . . . . . 4908 1 131 . 1 1 18 18 VAL CB C 13 30.96 . . 1 . . . . . . . . 4908 1 132 . 1 1 18 18 VAL N N 15 117.72 . . 1 . . . . . . . . 4908 1 133 . 1 1 19 19 ASN H H 1 6.94 . . 1 . . . . . . . . 4908 1 134 . 1 1 19 19 ASN HA H 1 4.89 . . 1 . . . . . . . . 4908 1 135 . 1 1 19 19 ASN HB2 H 1 3.12 . . 2 . . . . . . . . 4908 1 136 . 1 1 19 19 ASN C C 13 174.94 . . 1 . . . . . . . . 4908 1 137 . 1 1 19 19 ASN CA C 13 52.58 . . 1 . . . . . . . . 4908 1 138 . 1 1 19 19 ASN CB C 13 37.49 . . 1 . . . . . . . . 4908 1 139 . 1 1 19 19 ASN N N 15 113.77 . . 1 . . . . . . . . 4908 1 140 . 1 1 21 21 GLU CA C 13 58.81 . . 1 . . . . . . . . 4908 1 141 . 1 1 22 22 ASN C C 13 173.98 . . 1 . . . . . . . . 4908 1 142 . 1 1 22 22 ASN CA C 13 53.30 . . 1 . . . . . . . . 4908 1 143 . 1 1 23 23 LYS H H 1 7.72 . . 1 . . . . . . . . 4908 1 144 . 1 1 23 23 LYS HA H 1 4.94 . . 1 . . . . . . . . 4908 1 145 . 1 1 23 23 LYS HG2 H 1 1.50 . . 4 . . . . . . . . 4908 1 146 . 1 1 23 23 LYS HG3 H 1 1.09 . . 4 . . . . . . . . 4908 1 147 . 1 1 23 23 LYS C C 13 173.65 . . 1 . . . . . . . . 4908 1 148 . 1 1 23 23 LYS CA C 13 53.47 . . 1 . . . . . . . . 4908 1 149 . 1 1 23 23 LYS CB C 13 35.04 . . 1 . . . . . . . . 4908 1 150 . 1 1 23 23 LYS N N 15 118.25 . . 1 . . . . . . . . 4908 1 151 . 1 1 24 24 ASP H H 1 8.56 . . 1 . . . . . . . . 4908 1 152 . 1 1 24 24 ASP HA H 1 4.83 . . 1 . . . . . . . . 4908 1 153 . 1 1 24 24 ASP HB2 H 1 2.94 . . 1 . . . . . . . . 4908 1 154 . 1 1 24 24 ASP HB3 H 1 2.68 . . 1 . . . . . . . . 4908 1 155 . 1 1 24 24 ASP C C 13 174.54 . . 1 . . . . . . . . 4908 1 156 . 1 1 24 24 ASP CA C 13 53.17 . . 1 . . . . . . . . 4908 1 157 . 1 1 24 24 ASP CB C 13 42.53 . . 1 . . . . . . . . 4908 1 158 . 1 1 24 24 ASP N N 15 125.10 . . 1 . . . . . . . . 4908 1 159 . 1 1 25 25 VAL H H 1 7.92 . . 1 . . . . . . . . 4908 1 160 . 1 1 25 25 VAL HB H 1 1.90 . . 1 . . . . . . . . 4908 1 161 . 1 1 25 25 VAL HG11 H 1 0.86 . . 2 . . . . . . . . 4908 1 162 . 1 1 25 25 VAL HG12 H 1 0.86 . . 2 . . . . . . . . 4908 1 163 . 1 1 25 25 VAL HG13 H 1 0.86 . . 2 . . . . . . . . 4908 1 164 . 1 1 25 25 VAL C C 13 173.86 . . 1 . . . . . . . . 4908 1 165 . 1 1 25 25 VAL CA C 13 60.40 . . 1 . . . . . . . . 4908 1 166 . 1 1 25 25 VAL CB C 13 35.06 . . 1 . . . . . . . . 4908 1 167 . 1 1 25 25 VAL N N 15 122.70 . . 1 . . . . . . . . 4908 1 168 . 1 1 26 26 LEU H H 1 9.06 . . 1 . . . . . . . . 4908 1 169 . 1 1 26 26 LEU HA H 1 5.48 . . 1 . . . . . . . . 4908 1 170 . 1 1 26 26 LEU HB2 H 1 2.31 . . 2 . . . . . . . . 4908 1 171 . 1 1 26 26 LEU HG H 1 1.15 . . 4 . . . . . . . . 4908 1 172 . 1 1 26 26 LEU C C 13 172.38 . . 1 . . . . . . . . 4908 1 173 . 1 1 26 26 LEU CA C 13 53.45 . . 1 . . . . . . . . 4908 1 174 . 1 1 26 26 LEU CB C 13 44.97 . . 1 . . . . . . . . 4908 1 175 . 1 1 26 26 LEU N N 15 132.77 . . 1 . . . . . . . . 4908 1 176 . 1 1 27 27 ILE H H 1 9.56 . . 1 . . . . . . . . 4908 1 177 . 1 1 27 27 ILE HA H 1 4.91 . . 1 . . . . . . . . 4908 1 178 . 1 1 27 27 ILE HG12 H 1 1.07 . . 4 . . . . . . . . 4908 1 179 . 1 1 27 27 ILE HG13 H 1 0.78 . . 4 . . . . . . . . 4908 1 180 . 1 1 27 27 ILE C C 13 172.29 . . 1 . . . . . . . . 4908 1 181 . 1 1 27 27 ILE CA C 13 56.58 . . 1 . . . . . . . . 4908 1 182 . 1 1 27 27 ILE CB C 13 42.18 . . 1 . . . . . . . . 4908 1 183 . 1 1 27 27 ILE N N 15 124.99 . . 1 . . . . . . . . 4908 1 184 . 1 1 28 28 GLU H H 1 7.92 . . 1 . . . . . . . . 4908 1 185 . 1 1 28 28 GLU HA H 1 4.62 . . 1 . . . . . . . . 4908 1 186 . 1 1 28 28 GLU HB2 H 1 1.92 . . 2 . . . . . . . . 4908 1 187 . 1 1 28 28 GLU C C 13 169.64 . . 1 . . . . . . . . 4908 1 188 . 1 1 28 28 GLU CA C 13 53.49 . . 1 . . . . . . . . 4908 1 189 . 1 1 28 28 GLU CB C 13 29.01 . . 1 . . . . . . . . 4908 1 190 . 1 1 28 28 GLU N N 15 128.36 . . 1 . . . . . . . . 4908 1 191 . 1 1 29 29 PHE H H 1 9.85 . . 1 . . . . . . . . 4908 1 192 . 1 1 29 29 PHE HA H 1 5.74 . . 1 . . . . . . . . 4908 1 193 . 1 1 29 29 PHE HB2 H 1 3.39 . . 1 . . . . . . . . 4908 1 194 . 1 1 29 29 PHE HB3 H 1 3.02 . . 1 . . . . . . . . 4908 1 195 . 1 1 29 29 PHE C C 13 172.61 . . 1 . . . . . . . . 4908 1 196 . 1 1 29 29 PHE CA C 13 56.85 . . 1 . . . . . . . . 4908 1 197 . 1 1 29 29 PHE CB C 13 39.71 . . 1 . . . . . . . . 4908 1 198 . 1 1 30 30 TYR H H 1 8.74 . . 1 . . . . . . . . 4908 1 199 . 1 1 30 30 TYR HA H 1 5.38 . . 1 . . . . . . . . 4908 1 200 . 1 1 30 30 TYR C C 13 173.96 . . 1 . . . . . . . . 4908 1 201 . 1 1 30 30 TYR CA C 13 54.92 . . 1 . . . . . . . . 4908 1 202 . 1 1 30 30 TYR CB C 13 42.87 . . 1 . . . . . . . . 4908 1 203 . 1 1 30 30 TYR N N 15 121.68 . . 1 . . . . . . . . 4908 1 204 . 1 1 31 31 ALA H H 1 7.01 . . 1 . . . . . . . . 4908 1 205 . 1 1 31 31 ALA HA H 1 4.25 . . 1 . . . . . . . . 4908 1 206 . 1 1 31 31 ALA C C 13 169.16 . . 1 . . . . . . . . 4908 1 207 . 1 1 31 31 ALA CA C 13 47.48 . . 1 . . . . . . . . 4908 1 208 . 1 1 31 31 ALA CB C 13 19.44 . . 1 . . . . . . . . 4908 1 209 . 1 1 31 31 ALA N N 15 120.56 . . 1 . . . . . . . . 4908 1 210 . 1 1 32 32 PRO HA H 1 4.30 . . 1 . . . . . . . . 4908 1 211 . 1 1 32 32 PRO CA C 13 64.35 . . 1 . . . . . . . . 4908 1 212 . 1 1 33 33 TRP H H 1 5.96 . . 1 . . . . . . . . 4908 1 213 . 1 1 33 33 TRP HA H 1 4.61 . . 1 . . . . . . . . 4908 1 214 . 1 1 33 33 TRP HB2 H 1 3.59 . . 1 . . . . . . . . 4908 1 215 . 1 1 33 33 TRP HB3 H 1 3.21 . . 1 . . . . . . . . 4908 1 216 . 1 1 33 33 TRP C C 13 174.13 . . 1 . . . . . . . . 4908 1 217 . 1 1 33 33 TRP CA C 13 53.81 . . 1 . . . . . . . . 4908 1 218 . 1 1 33 33 TRP CB C 13 29.15 . . 1 . . . . . . . . 4908 1 219 . 1 1 33 33 TRP N N 15 110.74 . . 1 . . . . . . . . 4908 1 220 . 1 1 34 34 CYS HA H 1 4.43 . . 1 . . . . . . . . 4908 1 221 . 1 1 34 34 CYS C C 13 174.51 . . 1 . . . . . . . . 4908 1 222 . 1 1 34 34 CYS CA C 13 59.76 . . 1 . . . . . . . . 4908 1 223 . 1 1 35 35 GLY HA2 H 1 4.67 . . 2 . . . . . . . . 4908 1 224 . 1 1 35 35 GLY C C 13 176.40 . . 1 . . . . . . . . 4908 1 225 . 1 1 35 35 GLY CA C 13 47.54 . . 1 . . . . . . . . 4908 1 226 . 1 1 36 36 HIS C C 13 175.37 . . 1 . . . . . . . . 4908 1 227 . 1 1 36 36 HIS CA C 13 56.59 . . 1 . . . . . . . . 4908 1 228 . 1 1 37 37 CYS H H 1 9.66 . . 1 . . . . . . . . 4908 1 229 . 1 1 37 37 CYS HA H 1 4.67 . . 1 . . . . . . . . 4908 1 230 . 1 1 37 37 CYS C C 13 178.76 . . 1 . . . . . . . . 4908 1 231 . 1 1 37 37 CYS CA C 13 64.30 . . 1 . . . . . . . . 4908 1 232 . 1 1 37 37 CYS CB C 13 28.52 . . 1 . . . . . . . . 4908 1 233 . 1 1 37 37 CYS N N 15 127.91 . . 1 . . . . . . . . 4908 1 234 . 1 1 38 38 LYS H H 1 8.65 . . 1 . . . . . . . . 4908 1 235 . 1 1 38 38 LYS HA H 1 4.02 . . 1 . . . . . . . . 4908 1 236 . 1 1 38 38 LYS HB2 H 1 1.91 . . 2 . . . . . . . . 4908 1 237 . 1 1 38 38 LYS HB3 H 1 1.51 . . 4 . . . . . . . . 4908 1 238 . 1 1 38 38 LYS HG2 H 1 0.69 . . 4 . . . . . . . . 4908 1 239 . 1 1 38 38 LYS C C 13 176.85 . . 1 . . . . . . . . 4908 1 240 . 1 1 38 38 LYS CA C 13 59.64 . . 1 . . . . . . . . 4908 1 241 . 1 1 38 38 LYS CB C 13 31.88 . . 1 . . . . . . . . 4908 1 242 . 1 1 38 38 LYS N N 15 124.37 . . 1 . . . . . . . . 4908 1 243 . 1 1 39 39 ASN H H 1 7.83 . . 1 . . . . . . . . 4908 1 244 . 1 1 39 39 ASN HA H 1 4.50 . . 1 . . . . . . . . 4908 1 245 . 1 1 39 39 ASN HB2 H 1 2.94 . . 2 . . . . . . . . 4908 1 246 . 1 1 39 39 ASN C C 13 177.48 . . 1 . . . . . . . . 4908 1 247 . 1 1 39 39 ASN CA C 13 55.60 . . 1 . . . . . . . . 4908 1 248 . 1 1 39 39 ASN CB C 13 38.72 . . 1 . . . . . . . . 4908 1 249 . 1 1 39 39 ASN N N 15 117.74 . . 1 . . . . . . . . 4908 1 250 . 1 1 40 40 LEU H H 1 7.44 . . 1 . . . . . . . . 4908 1 251 . 1 1 40 40 LEU HA H 1 4.44 . . 1 . . . . . . . . 4908 1 252 . 1 1 40 40 LEU HB2 H 1 1.84 . . 2 . . . . . . . . 4908 1 253 . 1 1 40 40 LEU C C 13 175.23 . . 1 . . . . . . . . 4908 1 254 . 1 1 40 40 LEU CA C 13 55.88 . . 1 . . . . . . . . 4908 1 255 . 1 1 40 40 LEU CB C 13 42.53 . . 1 . . . . . . . . 4908 1 256 . 1 1 40 40 LEU N N 15 118.44 . . 1 . . . . . . . . 4908 1 257 . 1 1 41 41 GLU H H 1 7.47 . . 1 . . . . . . . . 4908 1 258 . 1 1 41 41 GLU HA H 1 4.02 . . 1 . . . . . . . . 4908 1 259 . 1 1 41 41 GLU HB2 H 1 2.18 . . 2 . . . . . . . . 4908 1 260 . 1 1 41 41 GLU C C 13 175.78 . . 1 . . . . . . . . 4908 1 261 . 1 1 41 41 GLU CA C 13 61.60 . . 1 . . . . . . . . 4908 1 262 . 1 1 41 41 GLU CB C 13 27.26 . . 1 . . . . . . . . 4908 1 263 . 1 1 41 41 GLU N N 15 120.16 . . 1 . . . . . . . . 4908 1 264 . 1 1 42 42 PRO HA H 1 4.40 . . 1 . . . . . . . . 4908 1 265 . 1 1 42 42 PRO CA C 13 65.90 . . 1 . . . . . . . . 4908 1 266 . 1 1 43 43 LYS H H 1 7.19 . . 1 . . . . . . . . 4908 1 267 . 1 1 43 43 LYS HA H 1 4.35 . . 1 . . . . . . . . 4908 1 268 . 1 1 43 43 LYS HB2 H 1 2.19 . . 2 . . . . . . . . 4908 1 269 . 1 1 43 43 LYS HB3 H 1 1.87 . . 2 . . . . . . . . 4908 1 270 . 1 1 43 43 LYS HG2 H 1 1.67 . . 4 . . . . . . . . 4908 1 271 . 1 1 43 43 LYS C C 13 178.43 . . 1 . . . . . . . . 4908 1 272 . 1 1 43 43 LYS CA C 13 58.49 . . 1 . . . . . . . . 4908 1 273 . 1 1 43 43 LYS CB C 13 32.84 . . 1 . . . . . . . . 4908 1 274 . 1 1 43 43 LYS N N 15 119.72 . . 1 . . . . . . . . 4908 1 275 . 1 1 44 44 TYR H H 1 8.36 . . 1 . . . . . . . . 4908 1 276 . 1 1 44 44 TYR HB2 H 1 3.63 . . 1 . . . . . . . . 4908 1 277 . 1 1 44 44 TYR HB3 H 1 2.92 . . 1 . . . . . . . . 4908 1 278 . 1 1 44 44 TYR C C 13 175.83 . . 1 . . . . . . . . 4908 1 279 . 1 1 44 44 TYR CA C 13 61.87 . . 1 . . . . . . . . 4908 1 280 . 1 1 44 44 TYR CB C 13 38.70 . . 1 . . . . . . . . 4908 1 281 . 1 1 44 44 TYR N N 15 123.53 . . 1 . . . . . . . . 4908 1 282 . 1 1 45 45 LYS H H 1 7.88 . . 1 . . . . . . . . 4908 1 283 . 1 1 45 45 LYS HA H 1 3.78 . . 1 . . . . . . . . 4908 1 284 . 1 1 45 45 LYS HB2 H 1 1.82 . . 2 . . . . . . . . 4908 1 285 . 1 1 45 45 LYS HG2 H 1 1.38 . . 4 . . . . . . . . 4908 1 286 . 1 1 45 45 LYS C C 13 175.42 . . 1 . . . . . . . . 4908 1 287 . 1 1 45 45 LYS CA C 13 59.63 . . 1 . . . . . . . . 4908 1 288 . 1 1 45 45 LYS CB C 13 32.29 . . 1 . . . . . . . . 4908 1 289 . 1 1 45 45 LYS N N 15 117.34 . . 1 . . . . . . . . 4908 1 290 . 1 1 46 46 GLU H H 1 7.48 . . 1 . . . . . . . . 4908 1 291 . 1 1 46 46 GLU HA H 1 4.02 . . 1 . . . . . . . . 4908 1 292 . 1 1 46 46 GLU HB2 H 1 2.18 . . 2 . . . . . . . . 4908 1 293 . 1 1 46 46 GLU HB3 H 1 1.83 . . 4 . . . . . . . . 4908 1 294 . 1 1 46 46 GLU HG2 H 1 2.46 . . 4 . . . . . . . . 4908 1 295 . 1 1 46 46 GLU C C 13 176.87 . . 1 . . . . . . . . 4908 1 296 . 1 1 46 46 GLU CA C 13 59.36 . . 1 . . . . . . . . 4908 1 297 . 1 1 46 46 GLU CB C 13 29.08 . . 1 . . . . . . . . 4908 1 298 . 1 1 46 46 GLU N N 15 120.44 . . 1 . . . . . . . . 4908 1 299 . 1 1 47 47 LEU H H 1 7.96 . . 1 . . . . . . . . 4908 1 300 . 1 1 47 47 LEU HA H 1 3.7 . . 1 . . . . . . . . 4908 1 301 . 1 1 47 47 LEU HB2 H 1 1.92 . . 2 . . . . . . . . 4908 1 302 . 1 1 47 47 LEU HD11 H 1 1.07 . . 2 . . . . . . . . 4908 1 303 . 1 1 47 47 LEU HD12 H 1 1.07 . . 2 . . . . . . . . 4908 1 304 . 1 1 47 47 LEU HD13 H 1 1.07 . . 2 . . . . . . . . 4908 1 305 . 1 1 47 47 LEU C C 13 176.95 . . 1 . . . . . . . . 4908 1 306 . 1 1 47 47 LEU CA C 13 58.20 . . 1 . . . . . . . . 4908 1 307 . 1 1 47 47 LEU CB C 13 40.64 . . 1 . . . . . . . . 4908 1 308 . 1 1 47 47 LEU N N 15 122.06 . . 1 . . . . . . . . 4908 1 309 . 1 1 48 48 GLY H H 1 7.71 . . 1 . . . . . . . . 4908 1 310 . 1 1 48 48 GLY HA2 H 1 3.36 . . 2 . . . . . . . . 4908 1 311 . 1 1 48 48 GLY C C 13 176.33 . . 1 . . . . . . . . 4908 1 312 . 1 1 48 48 GLY CA C 13 47.17 . . 1 . . . . . . . . 4908 1 313 . 1 1 48 48 GLY N N 15 104.26 . . 1 . . . . . . . . 4908 1 314 . 1 1 49 49 GLU H H 1 8.33 . . 1 . . . . . . . . 4908 1 315 . 1 1 49 49 GLU HA H 1 3.98 . . 1 . . . . . . . . 4908 1 316 . 1 1 49 49 GLU HB2 H 1 2.28 . . 2 . . . . . . . . 4908 1 317 . 1 1 49 49 GLU HB3 H 1 2.09 . . 2 . . . . . . . . 4908 1 318 . 1 1 49 49 GLU C C 13 175.02 . . 1 . . . . . . . . 4908 1 319 . 1 1 49 49 GLU CA C 13 59.67 . . 1 . . . . . . . . 4908 1 320 . 1 1 49 49 GLU CB C 13 29.37 . . 1 . . . . . . . . 4908 1 321 . 1 1 49 49 GLU N N 15 122.85 . . 1 . . . . . . . . 4908 1 322 . 1 1 50 50 LYS H H 1 8.86 . . 1 . . . . . . . . 4908 1 323 . 1 1 50 50 LYS HA H 1 4.18 . . 1 . . . . . . . . 4908 1 324 . 1 1 50 50 LYS HB2 H 1 2.05 . . 2 . . . . . . . . 4908 1 325 . 1 1 50 50 LYS HB3 H 1 1.72 . . 2 . . . . . . . . 4908 1 326 . 1 1 50 50 LYS C C 13 179.20 . . 1 . . . . . . . . 4908 1 327 . 1 1 50 50 LYS CA C 13 58.78 . . 1 . . . . . . . . 4908 1 328 . 1 1 50 50 LYS CB C 13 31.86 . . 1 . . . . . . . . 4908 1 329 . 1 1 50 50 LYS N N 15 121.33 . . 1 . . . . . . . . 4908 1 330 . 1 1 51 51 LEU H H 1 7.62 . . 1 . . . . . . . . 4908 1 331 . 1 1 51 51 LEU HA H 1 4.78 . . 1 . . . . . . . . 4908 1 332 . 1 1 51 51 LEU HB2 H 1 2.05 . . 2 . . . . . . . . 4908 1 333 . 1 1 51 51 LEU HG H 1 1.70 . . 4 . . . . . . . . 4908 1 334 . 1 1 51 51 LEU C C 13 177.20 . . 1 . . . . . . . . 4908 1 335 . 1 1 51 51 LEU CA C 13 54.01 . . 1 . . . . . . . . 4908 1 336 . 1 1 51 51 LEU CB C 13 40.92 . . 1 . . . . . . . . 4908 1 337 . 1 1 51 51 LEU N N 15 121.01 . . 1 . . . . . . . . 4908 1 338 . 1 1 52 52 SER H H 1 7.55 . . 1 . . . . . . . . 4908 1 339 . 1 1 52 52 SER HA H 1 4.12 . . 1 . . . . . . . . 4908 1 340 . 1 1 52 52 SER C C 13 177.56 . . 1 . . . . . . . . 4908 1 341 . 1 1 52 52 SER CA C 13 62.17 . . 1 . . . . . . . . 4908 1 342 . 1 1 52 52 SER CB C 13 63.13 . . 1 . . . . . . . . 4908 1 343 . 1 1 52 52 SER N N 15 117.55 . . 1 . . . . . . . . 4908 1 344 . 1 1 53 53 LYS H H 1 8.72 . . 1 . . . . . . . . 4908 1 345 . 1 1 53 53 LYS HA H 1 4.49 . . 1 . . . . . . . . 4908 1 346 . 1 1 53 53 LYS HB2 H 1 1.97 . . 2 . . . . . . . . 4908 1 347 . 1 1 53 53 LYS HB3 H 1 1.67 . . 2 . . . . . . . . 4908 1 348 . 1 1 53 53 LYS HG2 H 1 1.35 . . 4 . . . . . . . . 4908 1 349 . 1 1 53 53 LYS C C 13 173.82 . . 1 . . . . . . . . 4908 1 350 . 1 1 53 53 LYS CA C 13 55.00 . . 1 . . . . . . . . 4908 1 351 . 1 1 53 53 LYS CB C 13 31.53 . . 1 . . . . . . . . 4908 1 352 . 1 1 53 53 LYS N N 15 121.04 . . 1 . . . . . . . . 4908 1 353 . 1 1 54 54 ASP H H 1 8.01 . . 1 . . . . . . . . 4908 1 354 . 1 1 54 54 ASP HA H 1 4.80 . . 1 . . . . . . . . 4908 1 355 . 1 1 54 54 ASP HB2 H 1 3.22 . . 1 . . . . . . . . 4908 1 356 . 1 1 54 54 ASP HB3 H 1 2.92 . . 1 . . . . . . . . 4908 1 357 . 1 1 54 54 ASP C C 13 174.37 . . 1 . . . . . . . . 4908 1 358 . 1 1 54 54 ASP CA C 13 51.92 . . 1 . . . . . . . . 4908 1 359 . 1 1 54 54 ASP CB C 13 43.16 . . 1 . . . . . . . . 4908 1 360 . 1 1 54 54 ASP N N 15 124.39 . . 1 . . . . . . . . 4908 1 361 . 1 1 55 55 PRO HA H 1 4.55 . . 1 . . . . . . . . 4908 1 362 . 1 1 55 55 PRO CA C 13 63.53 . . 1 . . . . . . . . 4908 1 363 . 1 1 56 56 ASN H H 1 9.39 . . 1 . . . . . . . . 4908 1 364 . 1 1 56 56 ASN HA H 1 4.89 . . 1 . . . . . . . . 4908 1 365 . 1 1 56 56 ASN HB2 H 1 3.06 . . 2 . . . . . . . . 4908 1 366 . 1 1 56 56 ASN C C 13 175.09 . . 1 . . . . . . . . 4908 1 367 . 1 1 56 56 ASN CA C 13 54.39 . . 1 . . . . . . . . 4908 1 368 . 1 1 56 56 ASN CB C 13 41.96 . . 1 . . . . . . . . 4908 1 369 . 1 1 56 56 ASN N N 15 118.42 . . 1 . . . . . . . . 4908 1 370 . 1 1 57 57 ILE H H 1 7.61 . . 1 . . . . . . . . 4908 1 371 . 1 1 57 57 ILE HA H 1 5.20 . . 1 . . . . . . . . 4908 1 372 . 1 1 57 57 ILE HB H 1 1.58 . . 1 . . . . . . . . 4908 1 373 . 1 1 57 57 ILE HG21 H 1 0.84 . . 4 . . . . . . . . 4908 1 374 . 1 1 57 57 ILE HG22 H 1 0.84 . . 4 . . . . . . . . 4908 1 375 . 1 1 57 57 ILE HG23 H 1 0.84 . . 4 . . . . . . . . 4908 1 376 . 1 1 57 57 ILE C C 13 172.05 . . 1 . . . . . . . . 4908 1 377 . 1 1 57 57 ILE CA C 13 59.76 . . 1 . . . . . . . . 4908 1 378 . 1 1 57 57 ILE CB C 13 40.91 . . 1 . . . . . . . . 4908 1 379 . 1 1 57 57 ILE N N 15 120.10 . . 1 . . . . . . . . 4908 1 380 . 1 1 58 58 VAL H H 1 8.98 . . 1 . . . . . . . . 4908 1 381 . 1 1 58 58 VAL HA H 1 4.14 . . 1 . . . . . . . . 4908 1 382 . 1 1 58 58 VAL HB H 1 1.88 . . 1 . . . . . . . . 4908 1 383 . 1 1 58 58 VAL HG11 H 1 0.77 . . 2 . . . . . . . . 4908 1 384 . 1 1 58 58 VAL HG12 H 1 0.77 . . 2 . . . . . . . . 4908 1 385 . 1 1 58 58 VAL HG13 H 1 0.77 . . 2 . . . . . . . . 4908 1 386 . 1 1 58 58 VAL C C 13 173.49 . . 1 . . . . . . . . 4908 1 387 . 1 1 58 58 VAL CA C 13 61.02 . . 1 . . . . . . . . 4908 1 388 . 1 1 58 58 VAL CB C 13 35.02 . . 1 . . . . . . . . 4908 1 389 . 1 1 58 58 VAL N N 15 129.81 . . 1 . . . . . . . . 4908 1 390 . 1 1 59 59 ILE H H 1 8.82 . . 1 . . . . . . . . 4908 1 391 . 1 1 59 59 ILE HA H 1 4.55 . . 1 . . . . . . . . 4908 1 392 . 1 1 59 59 ILE HB H 1 2.04 . . 1 . . . . . . . . 4908 1 393 . 1 1 59 59 ILE HG21 H 1 0.25 . . 4 . . . . . . . . 4908 1 394 . 1 1 59 59 ILE HG22 H 1 0.25 . . 4 . . . . . . . . 4908 1 395 . 1 1 59 59 ILE HG23 H 1 0.25 . . 4 . . . . . . . . 4908 1 396 . 1 1 59 59 ILE C C 13 171.53 . . 1 . . . . . . . . 4908 1 397 . 1 1 59 59 ILE CA C 13 58.41 . . 1 . . . . . . . . 4908 1 398 . 1 1 59 59 ILE CB C 13 35.07 . . 1 . . . . . . . . 4908 1 399 . 1 1 59 59 ILE N N 15 128.90 . . 1 . . . . . . . . 4908 1 400 . 1 1 60 60 ALA H H 1 9.36 . . 1 . . . . . . . . 4908 1 401 . 1 1 60 60 ALA HA H 1 5.67 . . 1 . . . . . . . . 4908 1 402 . 1 1 60 60 ALA HB1 H 1 1.02 . . 1 . . . . . . . . 4908 1 403 . 1 1 60 60 ALA HB2 H 1 1.02 . . 1 . . . . . . . . 4908 1 404 . 1 1 60 60 ALA HB3 H 1 1.02 . . 1 . . . . . . . . 4908 1 405 . 1 1 60 60 ALA C C 13 173.28 . . 1 . . . . . . . . 4908 1 406 . 1 1 60 60 ALA CA C 13 50.38 . . 1 . . . . . . . . 4908 1 407 . 1 1 60 60 ALA CB C 13 23.80 . . 1 . . . . . . . . 4908 1 408 . 1 1 60 60 ALA N N 15 129.28 . . 1 . . . . . . . . 4908 1 409 . 1 1 61 61 LYS H H 1 9.13 . . 1 . . . . . . . . 4908 1 410 . 1 1 61 61 LYS HA H 1 5.48 . . 1 . . . . . . . . 4908 1 411 . 1 1 61 61 LYS C C 13 174.85 . . 1 . . . . . . . . 4908 1 412 . 1 1 61 61 LYS CA C 13 54.64 . . 1 . . . . . . . . 4908 1 413 . 1 1 61 61 LYS CB C 13 36.56 . . 1 . . . . . . . . 4908 1 414 . 1 1 61 61 LYS N N 15 120.61 . . 1 . . . . . . . . 4908 1 415 . 1 1 62 62 MET H H 1 9.02 . . 1 . . . . . . . . 4908 1 416 . 1 1 62 62 MET HA H 1 4.86 . . 1 . . . . . . . . 4908 1 417 . 1 1 62 62 MET HB2 H 1 1.83 . . 2 . . . . . . . . 4908 1 418 . 1 1 62 62 MET C C 13 170.60 . . 1 . . . . . . . . 4908 1 419 . 1 1 62 62 MET CA C 13 54.99 . . 1 . . . . . . . . 4908 1 420 . 1 1 62 62 MET CB C 13 39.38 . . 1 . . . . . . . . 4908 1 421 . 1 1 62 62 MET N N 15 120.14 . . 1 . . . . . . . . 4908 1 422 . 1 1 63 63 ASP H H 1 9.08 . . 1 . . . . . . . . 4908 1 423 . 1 1 63 63 ASP HA H 1 3.36 . . 1 . . . . . . . . 4908 1 424 . 1 1 63 63 ASP HB2 H 1 2.61 . . 2 . . . . . . . . 4908 1 425 . 1 1 63 63 ASP HB3 H 1 2.29 . . 2 . . . . . . . . 4908 1 426 . 1 1 63 63 ASP C C 13 172.02 . . 1 . . . . . . . . 4908 1 427 . 1 1 63 63 ASP CA C 13 52.54 . . 1 . . . . . . . . 4908 1 428 . 1 1 63 63 ASP CB C 13 39.10 . . 1 . . . . . . . . 4908 1 429 . 1 1 63 63 ASP N N 15 127.96 . . 1 . . . . . . . . 4908 1 430 . 1 1 64 64 ALA H H 1 8.65 . . 1 . . . . . . . . 4908 1 431 . 1 1 64 64 ALA HA H 1 4.68 . . 1 . . . . . . . . 4908 1 432 . 1 1 64 64 ALA HB1 H 1 1.64 . . 1 . . . . . . . . 4908 1 433 . 1 1 64 64 ALA HB2 H 1 1.64 . . 1 . . . . . . . . 4908 1 434 . 1 1 64 64 ALA HB3 H 1 1.64 . . 1 . . . . . . . . 4908 1 435 . 1 1 64 64 ALA C C 13 175.40 . . 1 . . . . . . . . 4908 1 436 . 1 1 64 64 ALA CA C 13 52.25 . . 1 . . . . . . . . 4908 1 437 . 1 1 64 64 ALA CB C 13 19.93 . . 1 . . . . . . . . 4908 1 438 . 1 1 64 64 ALA N N 15 132.94 . . 1 . . . . . . . . 4908 1 439 . 1 1 65 65 THR H H 1 8.99 . . 1 . . . . . . . . 4908 1 440 . 1 1 65 65 THR HA H 1 4.61 . . 1 . . . . . . . . 4908 1 441 . 1 1 65 65 THR HG21 H 1 1.12 . . 1 . . . . . . . . 4908 1 442 . 1 1 65 65 THR HG22 H 1 1.12 . . 1 . . . . . . . . 4908 1 443 . 1 1 65 65 THR HG23 H 1 1.12 . . 1 . . . . . . . . 4908 1 444 . 1 1 65 65 THR C C 13 174.75 . . 1 . . . . . . . . 4908 1 445 . 1 1 65 65 THR CA C 13 62.43 . . 1 . . . . . . . . 4908 1 446 . 1 1 65 65 THR CB C 13 69.09 . . 1 . . . . . . . . 4908 1 447 . 1 1 65 65 THR N N 15 110.62 . . 1 . . . . . . . . 4908 1 448 . 1 1 66 66 ALA H H 1 6.89 . . 1 . . . . . . . . 4908 1 449 . 1 1 66 66 ALA HA H 1 4.57 . . 1 . . . . . . . . 4908 1 450 . 1 1 66 66 ALA HB1 H 1 1.28 . . 1 . . . . . . . . 4908 1 451 . 1 1 66 66 ALA HB2 H 1 1.28 . . 1 . . . . . . . . 4908 1 452 . 1 1 66 66 ALA HB3 H 1 1.28 . . 1 . . . . . . . . 4908 1 453 . 1 1 66 66 ALA C C 13 173.68 . . 1 . . . . . . . . 4908 1 454 . 1 1 66 66 ALA CA C 13 51.01 . . 1 . . . . . . . . 4908 1 455 . 1 1 66 66 ALA CB C 13 21.21 . . 1 . . . . . . . . 4908 1 456 . 1 1 66 66 ALA N N 15 124.53 . . 1 . . . . . . . . 4908 1 457 . 1 1 67 67 ASN H H 1 7.23 . . 1 . . . . . . . . 4908 1 458 . 1 1 67 67 ASN HA H 1 4.88 . . 1 . . . . . . . . 4908 1 459 . 1 1 67 67 ASN HB2 H 1 2.55 . . 1 . . . . . . . . 4908 1 460 . 1 1 67 67 ASN HB3 H 1 2.4 . . 1 . . . . . . . . 4908 1 461 . 1 1 67 67 ASN C C 13 174.34 . . 1 . . . . . . . . 4908 1 462 . 1 1 67 67 ASN CA C 13 52.12 . . 1 . . . . . . . . 4908 1 463 . 1 1 67 67 ASN CB C 13 44.64 . . 1 . . . . . . . . 4908 1 464 . 1 1 67 67 ASN N N 15 115.52 . . 1 . . . . . . . . 4908 1 465 . 1 1 68 68 ASP H H 1 8.46 . . 1 . . . . . . . . 4908 1 466 . 1 1 68 68 ASP HA H 1 4.46 . . 1 . . . . . . . . 4908 1 467 . 1 1 68 68 ASP HB2 H 1 2.40 . . 2 . . . . . . . . 4908 1 468 . 1 1 68 68 ASP C C 13 171.49 . . 1 . . . . . . . . 4908 1 469 . 1 1 68 68 ASP CA C 13 54.04 . . 1 . . . . . . . . 4908 1 470 . 1 1 68 68 ASP CB C 13 40.43 . . 1 . . . . . . . . 4908 1 471 . 1 1 68 68 ASP N N 15 121.40 . . 1 . . . . . . . . 4908 1 472 . 1 1 69 69 VAL H H 1 8.21 . . 1 . . . . . . . . 4908 1 473 . 1 1 69 69 VAL HA H 1 3.75 . . 1 . . . . . . . . 4908 1 474 . 1 1 69 69 VAL HB H 1 1.72 . . 1 . . . . . . . . 4908 1 475 . 1 1 69 69 VAL HG11 H 1 0.75 . . 1 . . . . . . . . 4908 1 476 . 1 1 69 69 VAL HG12 H 1 0.75 . . 1 . . . . . . . . 4908 1 477 . 1 1 69 69 VAL HG13 H 1 0.75 . . 1 . . . . . . . . 4908 1 478 . 1 1 69 69 VAL HG21 H 1 0.27 . . 1 . . . . . . . . 4908 1 479 . 1 1 69 69 VAL HG22 H 1 0.27 . . 1 . . . . . . . . 4908 1 480 . 1 1 69 69 VAL HG23 H 1 0.27 . . 1 . . . . . . . . 4908 1 481 . 1 1 69 69 VAL C C 13 173.70 . . 1 . . . . . . . . 4908 1 482 . 1 1 69 69 VAL CA C 13 59.69 . . 1 . . . . . . . . 4908 1 483 . 1 1 69 69 VAL CB C 13 32.31 . . 1 . . . . . . . . 4908 1 484 . 1 1 69 69 VAL N N 15 125.21 . . 1 . . . . . . . . 4908 1 485 . 1 1 70 70 PRO HA H 1 5.20 . . 1 . . . . . . . . 4908 1 486 . 1 1 70 70 PRO CA C 13 61.90 . . 1 . . . . . . . . 4908 1 487 . 1 1 71 71 SER H H 1 9.07 . . 1 . . . . . . . . 4908 1 488 . 1 1 71 71 SER C C 13 174.29 . . 1 . . . . . . . . 4908 1 489 . 1 1 71 71 SER CA C 13 55.36 . . 1 . . . . . . . . 4908 1 490 . 1 1 71 71 SER CB C 13 58.75 . . 1 . . . . . . . . 4908 1 491 . 1 1 71 71 SER N N 15 130.09 . . 1 . . . . . . . . 4908 1 492 . 1 1 72 72 PRO HA H 1 4.81 . . 1 . . . . . . . . 4908 1 493 . 1 1 72 72 PRO CA C 13 63.19 . . 1 . . . . . . . . 4908 1 494 . 1 1 73 73 TYR HA H 1 4.35 . . 1 . . . . . . . . 4908 1 495 . 1 1 73 73 TYR C C 13 173.67 . . 1 . . . . . . . . 4908 1 496 . 1 1 73 73 TYR CA C 13 60.24 . . 1 . . . . . . . . 4908 1 497 . 1 1 74 74 GLU H H 1 7.73 . . 1 . . . . . . . . 4908 1 498 . 1 1 74 74 GLU HA H 1 4.37 . . 1 . . . . . . . . 4908 1 499 . 1 1 74 74 GLU HB2 H 1 2.15 . . 2 . . . . . . . . 4908 1 500 . 1 1 74 74 GLU HB3 H 1 1.90 . . 2 . . . . . . . . 4908 1 501 . 1 1 74 74 GLU C C 13 172.58 . . 1 . . . . . . . . 4908 1 502 . 1 1 74 74 GLU CA C 13 55.25 . . 1 . . . . . . . . 4908 1 503 . 1 1 74 74 GLU CB C 13 32.16 . . 1 . . . . . . . . 4908 1 504 . 1 1 74 74 GLU N N 15 121.47 . . 1 . . . . . . . . 4908 1 505 . 1 1 75 75 VAL H H 1 8.74 . . 1 . . . . . . . . 4908 1 506 . 1 1 75 75 VAL HA H 1 4.09 . . 1 . . . . . . . . 4908 1 507 . 1 1 75 75 VAL HB H 1 1.86 . . 1 . . . . . . . . 4908 1 508 . 1 1 75 75 VAL HG11 H 1 0.59 . . 1 . . . . . . . . 4908 1 509 . 1 1 75 75 VAL HG12 H 1 0.59 . . 1 . . . . . . . . 4908 1 510 . 1 1 75 75 VAL HG13 H 1 0.59 . . 1 . . . . . . . . 4908 1 511 . 1 1 75 75 VAL HG21 H 1 0.43 . . 1 . . . . . . . . 4908 1 512 . 1 1 75 75 VAL HG22 H 1 0.43 . . 1 . . . . . . . . 4908 1 513 . 1 1 75 75 VAL HG23 H 1 0.43 . . 1 . . . . . . . . 4908 1 514 . 1 1 75 75 VAL C C 13 173.36 . . 1 . . . . . . . . 4908 1 515 . 1 1 75 75 VAL CA C 13 61.87 . . 1 . . . . . . . . 4908 1 516 . 1 1 75 75 VAL CB C 13 32.25 . . 1 . . . . . . . . 4908 1 517 . 1 1 75 75 VAL N N 15 126.36 . . 1 . . . . . . . . 4908 1 518 . 1 1 76 76 ARG H H 1 8.42 . . 1 . . . . . . . . 4908 1 519 . 1 1 76 76 ARG HA H 1 4.67 . . 1 . . . . . . . . 4908 1 520 . 1 1 76 76 ARG C C 13 173.39 . . 1 . . . . . . . . 4908 1 521 . 1 1 76 76 ARG CA C 13 54.73 . . 1 . . . . . . . . 4908 1 522 . 1 1 76 76 ARG CB C 13 30.35 . . 1 . . . . . . . . 4908 1 523 . 1 1 76 76 ARG N N 15 128.18 . . 1 . . . . . . . . 4908 1 524 . 1 1 77 77 GLY H H 1 7.29 . . 1 . . . . . . . . 4908 1 525 . 1 1 77 77 GLY HA2 H 1 3.87 . . 1 . . . . . . . . 4908 1 526 . 1 1 77 77 GLY HA3 H 1 3.50 . . 1 . . . . . . . . 4908 1 527 . 1 1 77 77 GLY C C 13 173.48 . . 1 . . . . . . . . 4908 1 528 . 1 1 77 77 GLY CA C 13 43.54 . . 1 . . . . . . . . 4908 1 529 . 1 1 77 77 GLY N N 15 109.16 . . 1 . . . . . . . . 4908 1 530 . 1 1 78 78 PHE H H 1 8.44 . . 1 . . . . . . . . 4908 1 531 . 1 1 78 78 PHE HA H 1 5.13 . . 1 . . . . . . . . 4908 1 532 . 1 1 78 78 PHE HB2 H 1 3.14 . . 1 . . . . . . . . 4908 1 533 . 1 1 78 78 PHE HB3 H 1 2.83 . . 1 . . . . . . . . 4908 1 534 . 1 1 78 78 PHE C C 13 169.34 . . 1 . . . . . . . . 4908 1 535 . 1 1 78 78 PHE CA C 13 54.44 . . 1 . . . . . . . . 4908 1 536 . 1 1 78 78 PHE CB C 13 42.20 . . 1 . . . . . . . . 4908 1 537 . 1 1 78 78 PHE N N 15 117.15 . . 1 . . . . . . . . 4908 1 538 . 1 1 79 79 PRO HA H 1 5.28 . . 1 . . . . . . . . 4908 1 539 . 1 1 79 79 PRO CA C 13 63.71 . . 1 . . . . . . . . 4908 1 540 . 1 1 80 80 THR H H 1 8.85 . . 1 . . . . . . . . 4908 1 541 . 1 1 80 80 THR HA H 1 4.70 . . 4 . . . . . . . . 4908 1 542 . 1 1 80 80 THR HB H 1 4.35 . . 4 . . . . . . . . 4908 1 543 . 1 1 80 80 THR HG21 H 1 1.71 . . 1 . . . . . . . . 4908 1 544 . 1 1 80 80 THR HG22 H 1 1.71 . . 1 . . . . . . . . 4908 1 545 . 1 1 80 80 THR HG23 H 1 1.71 . . 1 . . . . . . . . 4908 1 546 . 1 1 80 80 THR C C 13 176.03 . . 1 . . . . . . . . 4908 1 547 . 1 1 80 80 THR CA C 13 63.71 . . 1 . . . . . . . . 4908 1 548 . 1 1 80 80 THR CB C 13 72.15 . . 1 . . . . . . . . 4908 1 549 . 1 1 80 80 THR N N 15 117.69 . . 1 . . . . . . . . 4908 1 550 . 1 1 81 81 ILE H H 1 9.79 . . 1 . . . . . . . . 4908 1 551 . 1 1 81 81 ILE HA H 1 4.69 . . 1 . . . . . . . . 4908 1 552 . 1 1 81 81 ILE HB H 1 1.874 . . 1 . . . . . . . . 4908 1 553 . 1 1 81 81 ILE HG12 H 1 0.79 . . 4 . . . . . . . . 4908 1 554 . 1 1 81 81 ILE C C 13 170.80 . . 1 . . . . . . . . 4908 1 555 . 1 1 81 81 ILE CA C 13 59.93 . . 1 . . . . . . . . 4908 1 556 . 1 1 81 81 ILE CB C 13 40.70 . . 1 . . . . . . . . 4908 1 557 . 1 1 81 81 ILE N N 15 130.78 . . 1 . . . . . . . . 4908 1 558 . 1 1 82 82 TYR H H 1 9.41 . . 1 . . . . . . . . 4908 1 559 . 1 1 82 82 TYR HA H 1 5.63 . . 1 . . . . . . . . 4908 1 560 . 1 1 82 82 TYR HB2 H 1 3.22 . . 1 . . . . . . . . 4908 1 561 . 1 1 82 82 TYR HB3 H 1 3.06 . . 1 . . . . . . . . 4908 1 562 . 1 1 82 82 TYR C C 13 172.64 . . 1 . . . . . . . . 4908 1 563 . 1 1 82 82 TYR CA C 13 56.29 . . 1 . . . . . . . . 4908 1 564 . 1 1 82 82 TYR CB C 13 45.99 . . 1 . . . . . . . . 4908 1 565 . 1 1 82 82 TYR N N 15 126.55 . . 1 . . . . . . . . 4908 1 566 . 1 1 83 83 PHE H H 1 10.124 . . 1 . . . . . . . . 4908 1 567 . 1 1 83 83 PHE HA H 1 5.75 . . 1 . . . . . . . . 4908 1 568 . 1 1 83 83 PHE HB2 H 1 3.48 . . 1 . . . . . . . . 4908 1 569 . 1 1 83 83 PHE HB3 H 1 3.21 . . 1 . . . . . . . . 4908 1 570 . 1 1 83 83 PHE C C 13 172.34 . . 1 . . . . . . . . 4908 1 571 . 1 1 83 83 PHE CA C 13 55.95 . . 1 . . . . . . . . 4908 1 572 . 1 1 83 83 PHE CB C 13 43.37 . . 1 . . . . . . . . 4908 1 573 . 1 1 83 83 PHE N N 15 121.37 . . 1 . . . . . . . . 4908 1 574 . 1 1 84 84 SER C C 13 171.96 . . 1 . . . . . . . . 4908 1 575 . 1 1 84 84 SER CA C 13 53.45 . . 1 . . . . . . . . 4908 1 576 . 1 1 85 85 PRO HA H 1 4.04 . . 1 . . . . . . . . 4908 1 577 . 1 1 85 85 PRO CA C 13 61.87 . . 1 . . . . . . . . 4908 1 578 . 1 1 86 86 ALA C C 13 174.53 . . 1 . . . . . . . . 4908 1 579 . 1 1 86 86 ALA CA C 13 54.32 . . 1 . . . . . . . . 4908 1 580 . 1 1 88 88 LYS H H 1 7.65 . . 1 . . . . . . . . 4908 1 581 . 1 1 88 88 LYS HA H 1 4.97 . . 1 . . . . . . . . 4908 1 582 . 1 1 88 88 LYS HB2 H 1 2.08 . . 2 . . . . . . . . 4908 1 583 . 1 1 88 88 LYS HG2 H 1 1.27 . . 4 . . . . . . . . 4908 1 584 . 1 1 88 88 LYS C C 13 173.74 . . 1 . . . . . . . . 4908 1 585 . 1 1 88 88 LYS CA C 13 54.71 . . 1 . . . . . . . . 4908 1 586 . 1 1 88 88 LYS CB C 13 32.91 . . 1 . . . . . . . . 4908 1 587 . 1 1 88 88 LYS N N 15 122.66 . . 1 . . . . . . . . 4908 1 588 . 1 1 89 89 LYS H H 1 8.09 . . 1 . . . . . . . . 4908 1 589 . 1 1 89 89 LYS HA H 1 3.97 . . 1 . . . . . . . . 4908 1 590 . 1 1 89 89 LYS HB2 H 1 1.85 . . 2 . . . . . . . . 4908 1 591 . 1 1 89 89 LYS C C 13 175.67 . . 1 . . . . . . . . 4908 1 592 . 1 1 89 89 LYS CA C 13 55.88 . . 1 . . . . . . . . 4908 1 593 . 1 1 89 89 LYS CB C 13 30.93 . . 1 . . . . . . . . 4908 1 594 . 1 1 89 89 LYS N N 15 115.53 . . 1 . . . . . . . . 4908 1 595 . 1 1 90 90 LEU H H 1 8.24 . . 1 . . . . . . . . 4908 1 596 . 1 1 90 90 LEU HA H 1 4.25 . . 1 . . . . . . . . 4908 1 597 . 1 1 90 90 LEU HB2 H 1 1.66 . . 2 . . . . . . . . 4908 1 598 . 1 1 90 90 LEU C C 13 178.21 . . 1 . . . . . . . . 4908 1 599 . 1 1 90 90 LEU CA C 13 55.01 . . 1 . . . . . . . . 4908 1 600 . 1 1 90 90 LEU CB C 13 41.30 . . 1 . . . . . . . . 4908 1 601 . 1 1 90 90 LEU N N 15 117.77 . . 1 . . . . . . . . 4908 1 602 . 1 1 92 92 PRO HA H 1 4.81 . . 1 . . . . . . . . 4908 1 603 . 1 1 92 92 PRO CA C 13 63.39 . . 1 . . . . . . . . 4908 1 604 . 1 1 93 93 LYS H H 1 9.26 . . 1 . . . . . . . . 4908 1 605 . 1 1 93 93 LYS HA H 1 4.79 . . 1 . . . . . . . . 4908 1 606 . 1 1 93 93 LYS HB2 H 1 2.13 . . 2 . . . . . . . . 4908 1 607 . 1 1 93 93 LYS HB3 H 1 1.75 . . 2 . . . . . . . . 4908 1 608 . 1 1 93 93 LYS C C 13 174.41 . . 1 . . . . . . . . 4908 1 609 . 1 1 93 93 LYS CA C 13 55.00 . . 1 . . . . . . . . 4908 1 610 . 1 1 93 93 LYS CB C 13 34.79 . . 1 . . . . . . . . 4908 1 611 . 1 1 93 93 LYS N N 15 120.02 . . 1 . . . . . . . . 4908 1 612 . 1 1 94 94 LYS H H 1 8.84 . . 1 . . . . . . . . 4908 1 613 . 1 1 94 94 LYS HA H 1 3.64 . . 1 . . . . . . . . 4908 1 614 . 1 1 94 94 LYS HB2 H 1 1.62 . . 2 . . . . . . . . 4908 1 615 . 1 1 94 94 LYS HB3 H 1 1.34 . . 4 . . . . . . . . 4908 1 616 . 1 1 94 94 LYS HG2 H 1 1.01 . . 4 . . . . . . . . 4908 1 617 . 1 1 94 94 LYS C C 13 173.98 . . 1 . . . . . . . . 4908 1 618 . 1 1 94 94 LYS CA C 13 56.96 . . 1 . . . . . . . . 4908 1 619 . 1 1 94 94 LYS CB C 13 32.48 . . 1 . . . . . . . . 4908 1 620 . 1 1 94 94 LYS N N 15 126.74 . . 1 . . . . . . . . 4908 1 621 . 1 1 95 95 TYR H H 1 9.07 . . 1 . . . . . . . . 4908 1 622 . 1 1 95 95 TYR HA H 1 4.12 . . 1 . . . . . . . . 4908 1 623 . 1 1 95 95 TYR HB2 H 1 2.74 . . 1 . . . . . . . . 4908 1 624 . 1 1 95 95 TYR HB3 H 1 2.34 . . 1 . . . . . . . . 4908 1 625 . 1 1 95 95 TYR C C 13 174.83 . . 1 . . . . . . . . 4908 1 626 . 1 1 95 95 TYR CA C 13 58.54 . . 1 . . . . . . . . 4908 1 627 . 1 1 95 95 TYR CB C 13 38.54 . . 1 . . . . . . . . 4908 1 628 . 1 1 95 95 TYR N N 15 130.45 . . 1 . . . . . . . . 4908 1 629 . 1 1 96 96 GLU H H 1 7.89 . . 1 . . . . . . . . 4908 1 630 . 1 1 96 96 GLU HA H 1 4.44 . . 1 . . . . . . . . 4908 1 631 . 1 1 96 96 GLU HB2 H 1 2.02 . . 4 . . . . . . . . 4908 1 632 . 1 1 96 96 GLU HB3 H 1 1.57 . . 4 . . . . . . . . 4908 1 633 . 1 1 96 96 GLU C C 13 173.49 . . 1 . . . . . . . . 4908 1 634 . 1 1 96 96 GLU CA C 13 54.68 . . 1 . . . . . . . . 4908 1 635 . 1 1 96 96 GLU CB C 13 30.92 . . 1 . . . . . . . . 4908 1 636 . 1 1 96 96 GLU N N 15 128.82 . . 1 . . . . . . . . 4908 1 637 . 1 1 97 97 GLY H H 1 5.65 . . 1 . . . . . . . . 4908 1 638 . 1 1 97 97 GLY HA2 H 1 3.93 . . 1 . . . . . . . . 4908 1 639 . 1 1 97 97 GLY HA3 H 1 3.49 . . 1 . . . . . . . . 4908 1 640 . 1 1 97 97 GLY C C 13 173.72 . . 1 . . . . . . . . 4908 1 641 . 1 1 97 97 GLY CA C 13 44.06 . . 1 . . . . . . . . 4908 1 642 . 1 1 97 97 GLY N N 15 106.61 . . 1 . . . . . . . . 4908 1 643 . 1 1 98 98 GLY H H 1 8.23 . . 1 . . . . . . . . 4908 1 644 . 1 1 98 98 GLY HA2 H 1 3.96 . . 1 . . . . . . . . 4908 1 645 . 1 1 98 98 GLY HA3 H 1 3.75 . . 1 . . . . . . . . 4908 1 646 . 1 1 98 98 GLY C C 13 171.92 . . 1 . . . . . . . . 4908 1 647 . 1 1 98 98 GLY CA C 13 44.73 . . 1 . . . . . . . . 4908 1 648 . 1 1 98 98 GLY N N 15 105.59 . . 1 . . . . . . . . 4908 1 649 . 1 1 99 99 ARG H H 1 8.39 . . 1 . . . . . . . . 4908 1 650 . 1 1 99 99 ARG HA H 1 4.36 . . 1 . . . . . . . . 4908 1 651 . 1 1 99 99 ARG HB2 H 1 2.30 . . 2 . . . . . . . . 4908 1 652 . 1 1 99 99 ARG HB3 H 1 1.63 . . 4 . . . . . . . . 4908 1 653 . 1 1 99 99 ARG HD2 H 1 3.27 . . 2 . . . . . . . . 4908 1 654 . 1 1 99 99 ARG C C 13 172.37 . . 1 . . . . . . . . 4908 1 655 . 1 1 99 99 ARG CA C 13 55.05 . . 1 . . . . . . . . 4908 1 656 . 1 1 99 99 ARG CB C 13 30.02 . . 1 . . . . . . . . 4908 1 657 . 1 1 99 99 ARG N N 15 118.37 . . 1 . . . . . . . . 4908 1 658 . 1 1 100 100 GLU H H 1 8.12 . . 1 . . . . . . . . 4908 1 659 . 1 1 100 100 GLU HA H 1 4.66 . . 1 . . . . . . . . 4908 1 660 . 1 1 100 100 GLU HB2 H 1 2.21 . . 2 . . . . . . . . 4908 1 661 . 1 1 100 100 GLU HB3 H 1 1.83 . . 2 . . . . . . . . 4908 1 662 . 1 1 100 100 GLU C C 13 174.16 . . 1 . . . . . . . . 4908 1 663 . 1 1 100 100 GLU CA C 13 54.08 . . 1 . . . . . . . . 4908 1 664 . 1 1 100 100 GLU CB C 13 29.94 . . 1 . . . . . . . . 4908 1 665 . 1 1 100 100 GLU N N 15 117.04 . . 1 . . . . . . . . 4908 1 666 . 1 1 101 101 LEU H H 1 9.28 . . 1 . . . . . . . . 4908 1 667 . 1 1 101 101 LEU HA H 1 4.14 . . 1 . . . . . . . . 4908 1 668 . 1 1 101 101 LEU HB2 H 1 1.90 . . 2 . . . . . . . . 4908 1 669 . 1 1 101 101 LEU C C 13 176.46 . . 1 . . . . . . . . 4908 1 670 . 1 1 101 101 LEU CA C 13 59.45 . . 1 . . . . . . . . 4908 1 671 . 1 1 101 101 LEU CB C 13 41.58 . . 1 . . . . . . . . 4908 1 672 . 1 1 101 101 LEU N N 15 124.55 . . 1 . . . . . . . . 4908 1 673 . 1 1 102 102 SER H H 1 8.55 . . 1 . . . . . . . . 4908 1 674 . 1 1 102 102 SER HA H 1 4.70 . . 1 . . . . . . . . 4908 1 675 . 1 1 102 102 SER HB2 H 1 4.01 . . 2 . . . . . . . . 4908 1 676 . 1 1 102 102 SER C C 13 177.18 . . 1 . . . . . . . . 4908 1 677 . 1 1 102 102 SER CA C 13 60.98 . . 1 . . . . . . . . 4908 1 678 . 1 1 102 102 SER CB C 13 61.91 . . 1 . . . . . . . . 4908 1 679 . 1 1 102 102 SER N N 15 110.18 . . 1 . . . . . . . . 4908 1 680 . 1 1 103 103 ASP H H 1 7.16 . . 1 . . . . . . . . 4908 1 681 . 1 1 103 103 ASP HA H 1 4.36 . . 1 . . . . . . . . 4908 1 682 . 1 1 103 103 ASP HB2 H 1 2.56 . . 2 . . . . . . . . 4908 1 683 . 1 1 103 103 ASP C C 13 175.67 . . 1 . . . . . . . . 4908 1 684 . 1 1 103 103 ASP CA C 13 57.50 . . 1 . . . . . . . . 4908 1 685 . 1 1 103 103 ASP CB C 13 40.92 . . 1 . . . . . . . . 4908 1 686 . 1 1 103 103 ASP N N 15 123.19 . . 1 . . . . . . . . 4908 1 687 . 1 1 104 104 PHE H H 1 7.53 . . 1 . . . . . . . . 4908 1 688 . 1 1 104 104 PHE HA H 1 4.23 . . 1 . . . . . . . . 4908 1 689 . 1 1 104 104 PHE HB2 H 1 3.00 . . 2 . . . . . . . . 4908 1 690 . 1 1 104 104 PHE C C 13 177.10 . . 1 . . . . . . . . 4908 1 691 . 1 1 104 104 PHE CA C 13 61.31 . . 1 . . . . . . . . 4908 1 692 . 1 1 104 104 PHE CB C 13 40.95 . . 1 . . . . . . . . 4908 1 693 . 1 1 104 104 PHE N N 15 119.32 . . 1 . . . . . . . . 4908 1 694 . 1 1 105 105 ILE H H 1 8.35 . . 1 . . . . . . . . 4908 1 695 . 1 1 105 105 ILE HA H 1 3.53 . . 1 . . . . . . . . 4908 1 696 . 1 1 105 105 ILE HB H 1 1.88 . . 1 . . . . . . . . 4908 1 697 . 1 1 105 105 ILE C C 13 176.96 . . 1 . . . . . . . . 4908 1 698 . 1 1 105 105 ILE CA C 13 65.41 . . 1 . . . . . . . . 4908 1 699 . 1 1 105 105 ILE CB C 13 36.97 . . 1 . . . . . . . . 4908 1 700 . 1 1 105 105 ILE N N 15 118.86 . . 1 . . . . . . . . 4908 1 701 . 1 1 106 106 SER H H 1 8.01 . . 1 . . . . . . . . 4908 1 702 . 1 1 106 106 SER HA H 1 4.30 . . 1 . . . . . . . . 4908 1 703 . 1 1 106 106 SER HB2 H 1 4.05 . . 2 . . . . . . . . 4908 1 704 . 1 1 106 106 SER C C 13 176.02 . . 1 . . . . . . . . 4908 1 705 . 1 1 106 106 SER CA C 13 61.64 . . 1 . . . . . . . . 4908 1 706 . 1 1 106 106 SER CB C 13 62.55 . . 1 . . . . . . . . 4908 1 707 . 1 1 106 106 SER N N 15 115.24 . . 1 . . . . . . . . 4908 1 708 . 1 1 107 107 TYR HA H 1 4.10 . . 1 . . . . . . . . 4908 1 709 . 1 1 107 107 TYR C C 13 175.49 . . 1 . . . . . . . . 4908 1 710 . 1 1 107 107 TYR CA C 13 62.12 . . 1 . . . . . . . . 4908 1 711 . 1 1 108 108 LEU H H 1 8.41 . . 1 . . . . . . . . 4908 1 712 . 1 1 108 108 LEU HA H 1 3.60 . . 1 . . . . . . . . 4908 1 713 . 1 1 108 108 LEU HB2 H 1 2.03 . . 2 . . . . . . . . 4908 1 714 . 1 1 108 108 LEU HB3 H 1 1.12 . . 4 . . . . . . . . 4908 1 715 . 1 1 108 108 LEU C C 13 175.76 . . 1 . . . . . . . . 4908 1 716 . 1 1 108 108 LEU CA C 13 57.59 . . 1 . . . . . . . . 4908 1 717 . 1 1 108 108 LEU CB C 13 41.85 . . 1 . . . . . . . . 4908 1 718 . 1 1 108 108 LEU N N 15 119.29 . . 1 . . . . . . . . 4908 1 719 . 1 1 109 109 GLN H H 1 8.51 . . 1 . . . . . . . . 4908 1 720 . 1 1 109 109 GLN HA H 1 3.72 . . 1 . . . . . . . . 4908 1 721 . 1 1 109 109 GLN HB2 H 1 2.32 . . 2 . . . . . . . . 4908 1 722 . 1 1 109 109 GLN HG2 H 1 2.65 . . 4 . . . . . . . . 4908 1 723 . 1 1 109 109 GLN C C 13 177.18 . . 1 . . . . . . . . 4908 1 724 . 1 1 109 109 GLN CA C 13 59.38 . . 1 . . . . . . . . 4908 1 725 . 1 1 109 109 GLN CB C 13 28.09 . . 1 . . . . . . . . 4908 1 726 . 1 1 109 109 GLN N N 15 116.55 . . 1 . . . . . . . . 4908 1 727 . 1 1 110 110 ARG H H 1 7.35 . . 1 . . . . . . . . 4908 1 728 . 1 1 110 110 ARG HA H 1 4.24 . . 1 . . . . . . . . 4908 1 729 . 1 1 110 110 ARG HB2 H 1 1.82 . . 2 . . . . . . . . 4908 1 730 . 1 1 110 110 ARG HB3 H 1 1.50 . . 4 . . . . . . . . 4908 1 731 . 1 1 110 110 ARG HD2 H 1 3.22 . . 2 . . . . . . . . 4908 1 732 . 1 1 110 110 ARG C C 13 176.30 . . 1 . . . . . . . . 4908 1 733 . 1 1 110 110 ARG CA C 13 58.16 . . 1 . . . . . . . . 4908 1 734 . 1 1 110 110 ARG CB C 13 31.55 . . 1 . . . . . . . . 4908 1 735 . 1 1 110 110 ARG N N 15 117.33 . . 1 . . . . . . . . 4908 1 736 . 1 1 111 111 GLU H H 1 8.04 . . 1 . . . . . . . . 4908 1 737 . 1 1 111 111 GLU HA H 1 4.22 . . 1 . . . . . . . . 4908 1 738 . 1 1 111 111 GLU HB2 H 1 1.81 . . 2 . . . . . . . . 4908 1 739 . 1 1 111 111 GLU C C 13 176.62 . . 1 . . . . . . . . 4908 1 740 . 1 1 111 111 GLU CA C 13 56.29 . . 1 . . . . . . . . 4908 1 741 . 1 1 111 111 GLU CB C 13 30.98 . . 1 . . . . . . . . 4908 1 742 . 1 1 111 111 GLU N N 15 116.01 . . 1 . . . . . . . . 4908 1 743 . 1 1 112 112 ALA H H 1 8.44 . . 1 . . . . . . . . 4908 1 744 . 1 1 112 112 ALA HA H 1 4.40 . . 1 . . . . . . . . 4908 1 745 . 1 1 112 112 ALA HB1 H 1 1.62 . . 1 . . . . . . . . 4908 1 746 . 1 1 112 112 ALA HB2 H 1 1.62 . . 1 . . . . . . . . 4908 1 747 . 1 1 112 112 ALA HB3 H 1 1.62 . . 1 . . . . . . . . 4908 1 748 . 1 1 112 112 ALA C C 13 175.62 . . 1 . . . . . . . . 4908 1 749 . 1 1 112 112 ALA CA C 13 53.39 . . 1 . . . . . . . . 4908 1 750 . 1 1 112 112 ALA CB C 13 19.35 . . 1 . . . . . . . . 4908 1 751 . 1 1 112 112 ALA N N 15 121.91 . . 1 . . . . . . . . 4908 1 752 . 1 1 113 113 THR H H 1 10.84 . . 1 . . . . . . . . 4908 1 753 . 1 1 113 113 THR HA H 1 3.77 . . 1 . . . . . . . . 4908 1 754 . 1 1 113 113 THR C C 13 176.47 . . 1 . . . . . . . . 4908 1 755 . 1 1 113 113 THR CA C 13 66.61 . . 1 . . . . . . . . 4908 1 756 . 1 1 113 113 THR CB C 13 67.58 . . 1 . . . . . . . . 4908 1 757 . 1 1 113 113 THR N N 15 123.47 . . 1 . . . . . . . . 4908 1 758 . 1 1 114 114 ASN H H 1 8.61 . . 1 . . . . . . . . 4908 1 759 . 1 1 114 114 ASN HA H 1 5.06 . . 1 . . . . . . . . 4908 1 760 . 1 1 114 114 ASN HB2 H 1 2.47 . . 2 . . . . . . . . 4908 1 761 . 1 1 114 114 ASN C C 13 172.68 . . 1 . . . . . . . . 4908 1 762 . 1 1 114 114 ASN CA C 13 49.94 . . 1 . . . . . . . . 4908 1 763 . 1 1 114 114 ASN CB C 13 40.41 . . 1 . . . . . . . . 4908 1 764 . 1 1 114 114 ASN N N 15 120.00 . . 1 . . . . . . . . 4908 1 765 . 1 1 116 116 PRO HA H 1 4.72 . . 1 . . . . . . . . 4908 1 766 . 1 1 116 116 PRO CA C 13 62.27 . . 1 . . . . . . . . 4908 1 767 . 1 1 117 117 VAL H H 1 9.85 . . 1 . . . . . . . . 4908 1 768 . 1 1 117 117 VAL HA H 1 3.97 . . 1 . . . . . . . . 4908 1 769 . 1 1 117 117 VAL HB H 1 1.90 . . 1 . . . . . . . . 4908 1 770 . 1 1 117 117 VAL HG11 H 1 1.00 . . 1 . . . . . . . . 4908 1 771 . 1 1 117 117 VAL HG12 H 1 1.00 . . 1 . . . . . . . . 4908 1 772 . 1 1 117 117 VAL HG13 H 1 1.00 . . 1 . . . . . . . . 4908 1 773 . 1 1 117 117 VAL HG21 H 1 0.79 . . 1 . . . . . . . . 4908 1 774 . 1 1 117 117 VAL HG22 H 1 0.79 . . 1 . . . . . . . . 4908 1 775 . 1 1 117 117 VAL HG23 H 1 0.79 . . 1 . . . . . . . . 4908 1 776 . 1 1 117 117 VAL C C 13 175.21 . . 1 . . . . . . . . 4908 1 777 . 1 1 117 117 VAL CA C 13 62.42 . . 1 . . . . . . . . 4908 1 778 . 1 1 117 117 VAL CB C 13 31.92 . . 1 . . . . . . . . 4908 1 779 . 1 1 117 117 VAL N N 15 128.68 . . 1 . . . . . . . . 4908 1 780 . 1 1 118 118 ILE H H 1 8.19 . . 1 . . . . . . . . 4908 1 781 . 1 1 118 118 ILE HA H 1 4.38 . . 1 . . . . . . . . 4908 1 782 . 1 1 118 118 ILE HB H 1 1.69 . . 1 . . . . . . . . 4908 1 783 . 1 1 118 118 ILE HG21 H 1 0.84 . . 4 . . . . . . . . 4908 1 784 . 1 1 118 118 ILE HG22 H 1 0.84 . . 4 . . . . . . . . 4908 1 785 . 1 1 118 118 ILE HG23 H 1 0.84 . . 4 . . . . . . . . 4908 1 786 . 1 1 118 118 ILE C C 13 173.32 . . 1 . . . . . . . . 4908 1 787 . 1 1 118 118 ILE CA C 13 59.70 . . 1 . . . . . . . . 4908 1 788 . 1 1 118 118 ILE CB C 13 39.97 . . 1 . . . . . . . . 4908 1 789 . 1 1 118 118 ILE N N 15 127.45 . . 1 . . . . . . . . 4908 1 790 . 1 1 119 119 GLN H H 1 8.58 . . 1 . . . . . . . . 4908 1 791 . 1 1 119 119 GLN HA H 1 4.41 . . 1 . . . . . . . . 4908 1 792 . 1 1 119 119 GLN HB2 H 1 2.40 . . 4 . . . . . . . . 4908 1 793 . 1 1 119 119 GLN HB3 H 1 2.08 . . 4 . . . . . . . . 4908 1 794 . 1 1 119 119 GLN C C 13 174.46 . . 1 . . . . . . . . 4908 1 795 . 1 1 119 119 GLN CA C 13 55.39 . . 1 . . . . . . . . 4908 1 796 . 1 1 119 119 GLN CB C 13 30.07 . . 1 . . . . . . . . 4908 1 797 . 1 1 119 119 GLN N N 15 127.85 . . 1 . . . . . . . . 4908 1 798 . 1 1 120 120 GLU H H 1 8.17 . . 1 . . . . . . . . 4908 1 799 . 1 1 120 120 GLU HA H 1 4.02 . . 1 . . . . . . . . 4908 1 800 . 1 1 120 120 GLU HB2 H 1 2.20 . . 1 . . . . . . . . 4908 1 801 . 1 1 120 120 GLU HB3 H 1 1.87 . . 1 . . . . . . . . 4908 1 802 . 1 1 120 120 GLU C C 13 172.88 . . 1 . . . . . . . . 4908 1 803 . 1 1 120 120 GLU CA C 13 58.37 . . 1 . . . . . . . . 4908 1 804 . 1 1 120 120 GLU CB C 13 30.67 . . 1 . . . . . . . . 4908 1 805 . 1 1 120 120 GLU N N 15 129.47 . . 1 . . . . . . . . 4908 1 stop_ save_