data_4308 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4308 _Entry.Title ; 1H and 15N Chemical Shift Assignments for Domain 4 of the Common Beta-Chain of the IL-3, IL-5 and GM-CSF Receptors ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-02-18 _Entry.Accession_date 1999-02-18 _Entry.Last_release_date 2000-01-05 _Entry.Original_release_date 2000-01-05 _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 Terrence Mulhern . D. . 4308 2 Grant Booker . W. . 4308 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4308 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 111 4308 '1H chemical shifts' 710 4308 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 . . 2000-01-05 1999-02-18 original author . 4308 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4308 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99410891 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Mulhern, T. D., Bagley, C. J., Gaunt, C., Lopez, A. F., Vadas, M.A., D'Andrea, R. J., and Booker, G. W., "1H and 15N Chemical Shift Assignments for Domain 4 of the Common Beta-Chain of the IL-3, IL-5 and GM-CSF Receptors," J. Biomol. NMR 14, 281-282 (1999). ; _Citation.Title ; 1H and 15N Chemical Shift Assignments for Domain 4 of the Common Beta-Chain of the IL-3, IL-5 and GM-CSF Receptors ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 14 _Citation.Journal_issue . _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 281 _Citation.Page_last 282 _Citation.Year 1999 _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 Terrence Mulhern . D. . 4308 1 2 Christopher Bagley . J. . 4308 1 3 C. Gaunt . . . 4308 1 4 Angel Lopez . F. . 4308 1 5 M. Vadas . A. . 4308 1 6 Richard D'Andrea . J. . 4308 1 7 Grant Booker . W. . 4308 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Cytokine Receptor Module' 4308 1 'Fn3 Domain' 4308 1 'WSXWS motif' 4308 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_beta_c_domain_4 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_beta_c_domain_4 _Assembly.Entry_ID 4308 _Assembly.ID 1 _Assembly.Name 'cytokine receptor common beta chain domain 4' _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 'not present' _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 4308 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 'beta c domain 4' 1 $beta_c_domain_4 . . . native . . . . . 4308 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1C8P . 'A Chain A, Nmr Structure Of The Ligand Binding Domain Of The Common Beta-Chain In The Gm-Csf, Il-3 And Il-5 Receptors' . . . . 4308 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'beta c domain 4' abbreviation 4308 1 'cytokine receptor common beta chain domain 4' system 4308 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_beta_c_domain_4 _Entity.Sf_category entity _Entity.Sf_framecode beta_c_domain_4 _Entity.Entry_ID 4308 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'beta c domain 4' _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 ; MIQMAPPSLNVTKDGDSYSL RWETMKMRYEHIDHTFEIQY RKDTATWKDSKTETLQNAHS MALPALEPSTRYWARVRVRT SRTGYNGIWSEWSEARSWDT ES ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12096 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1C8P . "Nmr Structure Of The Ligand Binding Domain Of The Common Beta-Chain In The Gm-Csf, Il-3 And Il-5 Receptors" . . . . . 100.00 102 100.00 100.00 6.23e-68 . . . . 4308 1 2 no PDB 1EGJ . "Domain 4 Of The Beta Common Chain In Complex With An Antibody" . . . . . 99.02 101 100.00 100.00 4.50e-67 . . . . 4308 1 3 no PDB 1GH7 . "Crystal Structure Of The Complete Extracellular Domain Of The Beta- Common Receptor Of Il-3, Il-5, And Gm-Csf" . . . . . 98.04 419 99.00 99.00 5.80e-63 . . . . 4308 1 4 no PDB 2GYS . "2.7 A Structure Of The Extracellular Domains Of The Human Beta Common Receptor Involved In Il-3, Il-5, And Gm-Csf Signalling" . . . . . 98.04 419 99.00 99.00 5.80e-63 . . . . 4308 1 5 no PDB 4NKQ . "Structure Of A Cytokine Receptor Complex" . . . . . 99.02 414 99.01 99.01 1.49e-63 . . . . 4308 1 6 no DBJ BAG10649 . "cytokine receptor common beta chain precursor [synthetic construct]" . . . . . 99.02 897 100.00 100.00 1.51e-61 . . . . 4308 1 7 no DBJ BAG64130 . "unnamed protein product [Homo sapiens]" . . . . . 99.02 844 100.00 100.00 1.33e-61 . . . . 4308 1 8 no EMBL CAG30314 . "CSF2RB [Homo sapiens]" . . . . . 99.02 903 100.00 100.00 1.44e-61 . . . . 4308 1 9 no EMBL CAK54420 . "CSF2RB [synthetic construct]" . . . . . 99.02 903 100.00 100.00 1.44e-61 . . . . 4308 1 10 no EMBL CAK54719 . "CSF2RB [synthetic construct]" . . . . . 99.02 903 100.00 100.00 1.44e-61 . . . . 4308 1 11 no GB AAA18171 . "GM-CSF receptor beta chain [Homo sapiens]" . . . . . 99.02 897 100.00 100.00 1.51e-61 . . . . 4308 1 12 no GB AAB31055 . "cytokine receptor complex common beta chain h beta c, partial [Mus sp.]" . . . . . 93.14 256 97.89 97.89 9.59e-59 . . . . 4308 1 13 no GB AAH70085 . "CSF2RB protein [Homo sapiens]" . . . . . 99.02 889 100.00 100.00 7.90e-62 . . . . 4308 1 14 no GB EAW60125 . "colony stimulating factor 2 receptor, beta, low-affinity (granulocyte-macrophage), isoform CRA_a [Homo sapiens]" . . . . . 99.02 903 100.00 100.00 1.44e-61 . . . . 4308 1 15 no GB EAW60126 . "colony stimulating factor 2 receptor, beta, low-affinity (granulocyte-macrophage), isoform CRA_b [Homo sapiens]" . . . . . 99.02 897 100.00 100.00 1.51e-61 . . . . 4308 1 16 no REF NP_000386 . "cytokine receptor common subunit beta precursor [Homo sapiens]" . . . . . 99.02 897 100.00 100.00 1.51e-61 . . . . 4308 1 17 no REF XP_003821586 . "PREDICTED: cytokine receptor common subunit beta isoform X3 [Pan paniscus]" . . . . . 99.02 897 100.00 100.00 1.13e-61 . . . . 4308 1 18 no REF XP_003821587 . "PREDICTED: cytokine receptor common subunit beta isoform X2 [Pan paniscus]" . . . . . 99.02 903 100.00 100.00 9.90e-62 . . . . 4308 1 19 no REF XP_004063464 . "PREDICTED: cytokine receptor common subunit beta isoform 1 [Gorilla gorilla gorilla]" . . . . . 99.02 897 98.02 99.01 7.05e-60 . . . . 4308 1 20 no REF XP_004063465 . "PREDICTED: cytokine receptor common subunit beta isoform 2 [Gorilla gorilla gorilla]" . . . . . 99.02 844 98.02 99.01 7.16e-60 . . . . 4308 1 21 no SP P32927 . "RecName: Full=Cytokine receptor common subunit beta; AltName: Full=CDw131; AltName: Full=GM-CSF/IL-3/IL-5 receptor common beta " . . . . . 99.02 897 100.00 100.00 1.51e-61 . . . . 4308 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'beta c domain 4' common 4308 1 'domain 4' abbreviation 4308 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 -1 MET . 4308 1 2 338 ILE . 4308 1 3 339 GLN . 4308 1 4 340 MET . 4308 1 5 341 ALA . 4308 1 6 342 PRO . 4308 1 7 343 PRO . 4308 1 8 344 SER . 4308 1 9 345 LEU . 4308 1 10 346 ASN . 4308 1 11 347 VAL . 4308 1 12 348 THR . 4308 1 13 349 LYS . 4308 1 14 350 ASP . 4308 1 15 351 GLY . 4308 1 16 352 ASP . 4308 1 17 353 SER . 4308 1 18 354 TYR . 4308 1 19 355 SER . 4308 1 20 356 LEU . 4308 1 21 357 ARG . 4308 1 22 358 TRP . 4308 1 23 359 GLU . 4308 1 24 360 THR . 4308 1 25 361 MET . 4308 1 26 362 LYS . 4308 1 27 363 MET . 4308 1 28 364 ARG . 4308 1 29 365 TYR . 4308 1 30 366 GLU . 4308 1 31 367 HIS . 4308 1 32 368 ILE . 4308 1 33 369 ASP . 4308 1 34 370 HIS . 4308 1 35 371 THR . 4308 1 36 372 PHE . 4308 1 37 373 GLU . 4308 1 38 374 ILE . 4308 1 39 375 GLN . 4308 1 40 376 TYR . 4308 1 41 377 ARG . 4308 1 42 378 LYS . 4308 1 43 379 ASP . 4308 1 44 380 THR . 4308 1 45 381 ALA . 4308 1 46 382 THR . 4308 1 47 383 TRP . 4308 1 48 384 LYS . 4308 1 49 385 ASP . 4308 1 50 386 SER . 4308 1 51 387 LYS . 4308 1 52 388 THR . 4308 1 53 389 GLU . 4308 1 54 390 THR . 4308 1 55 391 LEU . 4308 1 56 392 GLN . 4308 1 57 393 ASN . 4308 1 58 394 ALA . 4308 1 59 395 HIS . 4308 1 60 396 SER . 4308 1 61 397 MET . 4308 1 62 398 ALA . 4308 1 63 399 LEU . 4308 1 64 400 PRO . 4308 1 65 401 ALA . 4308 1 66 402 LEU . 4308 1 67 403 GLU . 4308 1 68 404 PRO . 4308 1 69 405 SER . 4308 1 70 406 THR . 4308 1 71 407 ARG . 4308 1 72 408 TYR . 4308 1 73 409 TRP . 4308 1 74 410 ALA . 4308 1 75 411 ARG . 4308 1 76 412 VAL . 4308 1 77 413 ARG . 4308 1 78 414 VAL . 4308 1 79 415 ARG . 4308 1 80 416 THR . 4308 1 81 417 SER . 4308 1 82 418 ARG . 4308 1 83 419 THR . 4308 1 84 420 GLY . 4308 1 85 421 TYR . 4308 1 86 422 ASN . 4308 1 87 423 GLY . 4308 1 88 424 ILE . 4308 1 89 425 TRP . 4308 1 90 426 SER . 4308 1 91 427 GLU . 4308 1 92 428 TRP . 4308 1 93 429 SER . 4308 1 94 430 GLU . 4308 1 95 431 ALA . 4308 1 96 432 ARG . 4308 1 97 433 SER . 4308 1 98 434 TRP . 4308 1 99 435 ASP . 4308 1 100 436 THR . 4308 1 101 437 GLU . 4308 1 102 438 SER . 4308 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 . MET 1 1 4308 1 . ILE 2 2 4308 1 . GLN 3 3 4308 1 . MET 4 4 4308 1 . ALA 5 5 4308 1 . PRO 6 6 4308 1 . PRO 7 7 4308 1 . SER 8 8 4308 1 . LEU 9 9 4308 1 . ASN 10 10 4308 1 . VAL 11 11 4308 1 . THR 12 12 4308 1 . LYS 13 13 4308 1 . ASP 14 14 4308 1 . GLY 15 15 4308 1 . ASP 16 16 4308 1 . SER 17 17 4308 1 . TYR 18 18 4308 1 . SER 19 19 4308 1 . LEU 20 20 4308 1 . ARG 21 21 4308 1 . TRP 22 22 4308 1 . GLU 23 23 4308 1 . THR 24 24 4308 1 . MET 25 25 4308 1 . LYS 26 26 4308 1 . MET 27 27 4308 1 . ARG 28 28 4308 1 . TYR 29 29 4308 1 . GLU 30 30 4308 1 . HIS 31 31 4308 1 . ILE 32 32 4308 1 . ASP 33 33 4308 1 . HIS 34 34 4308 1 . THR 35 35 4308 1 . PHE 36 36 4308 1 . GLU 37 37 4308 1 . ILE 38 38 4308 1 . GLN 39 39 4308 1 . TYR 40 40 4308 1 . ARG 41 41 4308 1 . LYS 42 42 4308 1 . ASP 43 43 4308 1 . THR 44 44 4308 1 . ALA 45 45 4308 1 . THR 46 46 4308 1 . TRP 47 47 4308 1 . LYS 48 48 4308 1 . ASP 49 49 4308 1 . SER 50 50 4308 1 . LYS 51 51 4308 1 . THR 52 52 4308 1 . GLU 53 53 4308 1 . THR 54 54 4308 1 . LEU 55 55 4308 1 . GLN 56 56 4308 1 . ASN 57 57 4308 1 . ALA 58 58 4308 1 . HIS 59 59 4308 1 . SER 60 60 4308 1 . MET 61 61 4308 1 . ALA 62 62 4308 1 . LEU 63 63 4308 1 . PRO 64 64 4308 1 . ALA 65 65 4308 1 . LEU 66 66 4308 1 . GLU 67 67 4308 1 . PRO 68 68 4308 1 . SER 69 69 4308 1 . THR 70 70 4308 1 . ARG 71 71 4308 1 . TYR 72 72 4308 1 . TRP 73 73 4308 1 . ALA 74 74 4308 1 . ARG 75 75 4308 1 . VAL 76 76 4308 1 . ARG 77 77 4308 1 . VAL 78 78 4308 1 . ARG 79 79 4308 1 . THR 80 80 4308 1 . SER 81 81 4308 1 . ARG 82 82 4308 1 . THR 83 83 4308 1 . GLY 84 84 4308 1 . TYR 85 85 4308 1 . ASN 86 86 4308 1 . GLY 87 87 4308 1 . ILE 88 88 4308 1 . TRP 89 89 4308 1 . SER 90 90 4308 1 . GLU 91 91 4308 1 . TRP 92 92 4308 1 . SER 93 93 4308 1 . GLU 94 94 4308 1 . ALA 95 95 4308 1 . ARG 96 96 4308 1 . SER 97 97 4308 1 . TRP 98 98 4308 1 . ASP 99 99 4308 1 . THR 100 100 4308 1 . GLU 101 101 4308 1 . SER 102 102 4308 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 4308 _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 $beta_c_domain_4 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . extracellular . . . . . . . . 4308 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 4308 _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 $beta_c_domain_4 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4308 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4308 _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 'beta c domain 4' '[U-99% 15N]' . . 1 $beta_c_domain_4 . . 0.7 . . mM . . . . 4308 1 2 phosphate . . . . . . . 10 . . mM . . . . 4308 1 3 D20 . . . . . . . 10 . . % . . . . 4308 1 4 H2O . . . . . . . 90 . . % . . . . 4308 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4308 _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 'beta c domain 4' '[U-99% 15N]' . . 1 $beta_c_domain_4 . . 0.7 . . mM . . . . 4308 2 2 phosphate . . . . . . . 10 . . mM . . . . 4308 2 3 D2O . . . . . . . 100 . . % . . . . 4308 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4308 _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 6.1 0.05 na 4308 1 temperature 293 0.1 K 4308 1 stop_ save_ save_Ex-cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_2 _Sample_condition_list.Entry_ID 4308 _Sample_condition_list.ID 2 _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* 6.1 0.05 na 4308 2 temperature 293 0.1 K 4308 2 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4308 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 4308 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4308 _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_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4308 _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_one Varian INOVA . 600 . . . 4308 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 4308 _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 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4308 1 2 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4308 1 3 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4308 1 4 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4308 1 5 '1H-15N HMQC-J' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4308 1 6 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4308 1 7 '1H-15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4308 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 4308 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4308 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4308 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name DQF-COSY _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 4308 _NMR_spec_expt.ID 4 _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4308 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H-15N HMQC-J' _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 4308 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '1H-15N NOESY-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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4308 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '1H-15N TOCSY-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_ #################### # 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 4308 _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 internal direct 1.0 . . . . . . . . . 4308 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4308 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shift_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shift_one _Assigned_chem_shift_list.Entry_ID 4308 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _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 . 4308 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 MET HA H 1 4.047 . . 1 . . . . . . . . 4308 1 2 . 1 1 1 1 MET HB2 H 1 2.090 . . 1 . . . . . . . . 4308 1 3 . 1 1 1 1 MET HB3 H 1 2.090 . . 1 . . . . . . . . 4308 1 4 . 1 1 1 1 MET HG2 H 1 2.568 . . 1 . . . . . . . . 4308 1 5 . 1 1 1 1 MET HG3 H 1 2.568 . . 1 . . . . . . . . 4308 1 6 . 1 1 2 2 ILE HA H 1 4.236 . . 1 . . . . . . . . 4308 1 7 . 1 1 2 2 ILE HB H 1 1.812 . . 1 . . . . . . . . 4308 1 8 . 1 1 2 2 ILE HG12 H 1 1.486 . . 1 . . . . . . . . 4308 1 9 . 1 1 2 2 ILE HG13 H 1 1.186 . . 1 . . . . . . . . 4308 1 10 . 1 1 2 2 ILE HG21 H 1 0.899 . . 4 . . . . . . . . 4308 1 11 . 1 1 2 2 ILE HG22 H 1 0.899 . . 4 . . . . . . . . 4308 1 12 . 1 1 2 2 ILE HG23 H 1 0.899 . . 4 . . . . . . . . 4308 1 13 . 1 1 2 2 ILE HD11 H 1 0.855 . . 4 . . . . . . . . 4308 1 14 . 1 1 2 2 ILE HD12 H 1 0.855 . . 4 . . . . . . . . 4308 1 15 . 1 1 2 2 ILE HD13 H 1 0.855 . . 4 . . . . . . . . 4308 1 16 . 1 1 3 3 GLN H H 1 8.534 . . 1 . . . . . . . . 4308 1 17 . 1 1 3 3 GLN HA H 1 4.356 . . 1 . . . . . . . . 4308 1 18 . 1 1 3 3 GLN HB2 H 1 2.104 . . 1 . . . . . . . . 4308 1 19 . 1 1 3 3 GLN HB3 H 1 1.838 . . 1 . . . . . . . . 4308 1 20 . 1 1 3 3 GLN HG2 H 1 2.438 . . 1 . . . . . . . . 4308 1 21 . 1 1 3 3 GLN HG3 H 1 2.250 . . 1 . . . . . . . . 4308 1 22 . 1 1 3 3 GLN HE21 H 1 7.748 . . 1 . . . . . . . . 4308 1 23 . 1 1 3 3 GLN HE22 H 1 7.208 . . 1 . . . . . . . . 4308 1 24 . 1 1 3 3 GLN N N 15 125.370 . . 1 . . . . . . . . 4308 1 25 . 1 1 3 3 GLN NE2 N 15 112.777 . . 1 . . . . . . . . 4308 1 26 . 1 1 4 4 MET H H 1 8.659 . . 1 . . . . . . . . 4308 1 27 . 1 1 4 4 MET HA H 1 4.428 . . 1 . . . . . . . . 4308 1 28 . 1 1 4 4 MET HB2 H 1 2.127 . . 1 . . . . . . . . 4308 1 29 . 1 1 4 4 MET HB3 H 1 1.851 . . 1 . . . . . . . . 4308 1 30 . 1 1 4 4 MET HG2 H 1 2.595 . . 1 . . . . . . . . 4308 1 31 . 1 1 4 4 MET HG3 H 1 2.595 . . 1 . . . . . . . . 4308 1 32 . 1 1 4 4 MET HE1 H 1 1.909 . . 1 . . . . . . . . 4308 1 33 . 1 1 4 4 MET HE2 H 1 1.909 . . 1 . . . . . . . . 4308 1 34 . 1 1 4 4 MET HE3 H 1 1.909 . . 1 . . . . . . . . 4308 1 35 . 1 1 4 4 MET N N 15 124.685 . . 1 . . . . . . . . 4308 1 36 . 1 1 5 5 ALA H H 1 8.182 . . 1 . . . . . . . . 4308 1 37 . 1 1 5 5 ALA HA H 1 4.626 . . 1 . . . . . . . . 4308 1 38 . 1 1 5 5 ALA HB1 H 1 1.460 . . 1 . . . . . . . . 4308 1 39 . 1 1 5 5 ALA HB2 H 1 1.460 . . 1 . . . . . . . . 4308 1 40 . 1 1 5 5 ALA HB3 H 1 1.460 . . 1 . . . . . . . . 4308 1 41 . 1 1 5 5 ALA N N 15 125.422 . . 1 . . . . . . . . 4308 1 42 . 1 1 6 6 PRO HB2 H 1 3.251 . . 1 . . . . . . . . 4308 1 43 . 1 1 6 6 PRO HB3 H 1 3.251 . . 1 . . . . . . . . 4308 1 44 . 1 1 6 6 PRO HG2 H 1 2.596 . . 1 . . . . . . . . 4308 1 45 . 1 1 6 6 PRO HG3 H 1 2.596 . . 1 . . . . . . . . 4308 1 46 . 1 1 6 6 PRO HD2 H 1 3.461 . . 1 . . . . . . . . 4308 1 47 . 1 1 6 6 PRO HD3 H 1 3.461 . . 1 . . . . . . . . 4308 1 48 . 1 1 7 7 PRO HA H 1 4.932 . . 1 . . . . . . . . 4308 1 49 . 1 1 7 7 PRO HB2 H 1 2.469 . . 1 . . . . . . . . 4308 1 50 . 1 1 7 7 PRO HB3 H 1 2.469 . . 1 . . . . . . . . 4308 1 51 . 1 1 7 7 PRO HG2 H 1 1.801 . . 1 . . . . . . . . 4308 1 52 . 1 1 7 7 PRO HG3 H 1 1.801 . . 1 . . . . . . . . 4308 1 53 . 1 1 7 7 PRO HD2 H 1 4.242 . . 1 . . . . . . . . 4308 1 54 . 1 1 7 7 PRO HD3 H 1 3.577 . . 1 . . . . . . . . 4308 1 55 . 1 1 8 8 SER H H 1 8.521 . . 1 . . . . . . . . 4308 1 56 . 1 1 8 8 SER HA H 1 4.813 . . 1 . . . . . . . . 4308 1 57 . 1 1 8 8 SER HB2 H 1 3.946 . . 1 . . . . . . . . 4308 1 58 . 1 1 8 8 SER HB3 H 1 3.946 . . 1 . . . . . . . . 4308 1 59 . 1 1 8 8 SER N N 15 114.147 . . 1 . . . . . . . . 4308 1 60 . 1 1 9 9 LEU H H 1 8.929 . . 1 . . . . . . . . 4308 1 61 . 1 1 9 9 LEU HA H 1 5.341 . . 1 . . . . . . . . 4308 1 62 . 1 1 9 9 LEU HB2 H 1 2.032 . . 1 . . . . . . . . 4308 1 63 . 1 1 9 9 LEU HB3 H 1 1.563 . . 1 . . . . . . . . 4308 1 64 . 1 1 9 9 LEU HG H 1 1.610 . . 1 . . . . . . . . 4308 1 65 . 1 1 9 9 LEU HD11 H 1 1.199 . . 2 . . . . . . . . 4308 1 66 . 1 1 9 9 LEU HD12 H 1 1.199 . . 2 . . . . . . . . 4308 1 67 . 1 1 9 9 LEU HD13 H 1 1.199 . . 2 . . . . . . . . 4308 1 68 . 1 1 9 9 LEU HD21 H 1 1.037 . . 2 . . . . . . . . 4308 1 69 . 1 1 9 9 LEU HD22 H 1 1.037 . . 2 . . . . . . . . 4308 1 70 . 1 1 9 9 LEU HD23 H 1 1.037 . . 2 . . . . . . . . 4308 1 71 . 1 1 9 9 LEU N N 15 126.792 . . 1 . . . . . . . . 4308 1 72 . 1 1 10 10 ASN H H 1 9.557 . . 1 . . . . . . . . 4308 1 73 . 1 1 10 10 ASN HA H 1 5.038 . . 1 . . . . . . . . 4308 1 74 . 1 1 10 10 ASN HB2 H 1 2.635 . . 1 . . . . . . . . 4308 1 75 . 1 1 10 10 ASN HB3 H 1 2.635 . . 1 . . . . . . . . 4308 1 76 . 1 1 10 10 ASN HD21 H 1 7.578 . . 1 . . . . . . . . 4308 1 77 . 1 1 10 10 ASN HD22 H 1 6.934 . . 1 . . . . . . . . 4308 1 78 . 1 1 10 10 ASN N N 15 123.368 . . 1 . . . . . . . . 4308 1 79 . 1 1 10 10 ASN ND2 N 15 113.807 . . 1 . . . . . . . . 4308 1 80 . 1 1 11 11 VAL H H 1 8.509 . . 1 . . . . . . . . 4308 1 81 . 1 1 11 11 VAL HA H 1 4.774 . . 1 . . . . . . . . 4308 1 82 . 1 1 11 11 VAL HB H 1 1.511 . . 1 . . . . . . . . 4308 1 83 . 1 1 11 11 VAL HG11 H 1 0.222 . . 2 . . . . . . . . 4308 1 84 . 1 1 11 11 VAL HG12 H 1 0.222 . . 2 . . . . . . . . 4308 1 85 . 1 1 11 11 VAL HG13 H 1 0.222 . . 2 . . . . . . . . 4308 1 86 . 1 1 11 11 VAL HG21 H 1 0.137 . . 2 . . . . . . . . 4308 1 87 . 1 1 11 11 VAL HG22 H 1 0.137 . . 2 . . . . . . . . 4308 1 88 . 1 1 11 11 VAL HG23 H 1 0.137 . . 2 . . . . . . . . 4308 1 89 . 1 1 11 11 VAL N N 15 121.155 . . 1 . . . . . . . . 4308 1 90 . 1 1 12 12 THR H H 1 8.843 . . 1 . . . . . . . . 4308 1 91 . 1 1 12 12 THR HA H 1 4.612 . . 1 . . . . . . . . 4308 1 92 . 1 1 12 12 THR HB H 1 4.047 . . 1 . . . . . . . . 4308 1 93 . 1 1 12 12 THR HG21 H 1 0.978 . . 1 . . . . . . . . 4308 1 94 . 1 1 12 12 THR HG22 H 1 0.978 . . 1 . . . . . . . . 4308 1 95 . 1 1 12 12 THR HG23 H 1 0.978 . . 1 . . . . . . . . 4308 1 96 . 1 1 12 12 THR N N 15 119.890 . . 1 . . . . . . . . 4308 1 97 . 1 1 13 13 LYS H H 1 8.414 . . 1 . . . . . . . . 4308 1 98 . 1 1 13 13 LYS HA H 1 4.277 . . 1 . . . . . . . . 4308 1 99 . 1 1 13 13 LYS HB2 H 1 1.625 . . 1 . . . . . . . . 4308 1 100 . 1 1 13 13 LYS HB3 H 1 1.625 . . 1 . . . . . . . . 4308 1 101 . 1 1 13 13 LYS HG2 H 1 0.974 . . 1 . . . . . . . . 4308 1 102 . 1 1 13 13 LYS HG3 H 1 0.447 . . 1 . . . . . . . . 4308 1 103 . 1 1 13 13 LYS HD2 H 1 1.452 . . 1 . . . . . . . . 4308 1 104 . 1 1 13 13 LYS HD3 H 1 1.452 . . 1 . . . . . . . . 4308 1 105 . 1 1 13 13 LYS HE2 H 1 2.844 . . 1 . . . . . . . . 4308 1 106 . 1 1 13 13 LYS HE3 H 1 2.844 . . 1 . . . . . . . . 4308 1 107 . 1 1 13 13 LYS N N 15 124.105 . . 1 . . . . . . . . 4308 1 108 . 1 1 14 14 ASP H H 1 8.346 . . 1 . . . . . . . . 4308 1 109 . 1 1 14 14 ASP HA H 1 4.743 . . 1 . . . . . . . . 4308 1 110 . 1 1 14 14 ASP HB2 H 1 2.512 . . 1 . . . . . . . . 4308 1 111 . 1 1 14 14 ASP HB3 H 1 2.323 . . 1 . . . . . . . . 4308 1 112 . 1 1 14 14 ASP N N 15 127.951 . . 1 . . . . . . . . 4308 1 113 . 1 1 15 15 GLY H H 1 8.739 . . 1 . . . . . . . . 4308 1 114 . 1 1 15 15 GLY HA2 H 1 3.582 . . 1 . . . . . . . . 4308 1 115 . 1 1 15 15 GLY N N 15 115.043 . . 1 . . . . . . . . 4308 1 116 . 1 1 16 16 ASP H H 1 8.665 . . 1 . . . . . . . . 4308 1 117 . 1 1 16 16 ASP HA H 1 4.643 . . 1 . . . . . . . . 4308 1 118 . 1 1 16 16 ASP HB2 H 1 2.828 . . 1 . . . . . . . . 4308 1 119 . 1 1 16 16 ASP HB3 H 1 2.673 . . 1 . . . . . . . . 4308 1 120 . 1 1 16 16 ASP N N 15 125.897 . . 1 . . . . . . . . 4308 1 121 . 1 1 17 17 SER H H 1 7.671 . . 1 . . . . . . . . 4308 1 122 . 1 1 17 17 SER HA H 1 4.743 . . 1 . . . . . . . . 4308 1 123 . 1 1 17 17 SER HB2 H 1 3.927 . . 1 . . . . . . . . 4308 1 124 . 1 1 17 17 SER HB3 H 1 3.859 . . 1 . . . . . . . . 4308 1 125 . 1 1 17 17 SER N N 15 114.779 . . 1 . . . . . . . . 4308 1 126 . 1 1 18 18 TYR H H 1 8.931 . . 1 . . . . . . . . 4308 1 127 . 1 1 18 18 TYR HA H 1 5.009 . . 1 . . . . . . . . 4308 1 128 . 1 1 18 18 TYR HB2 H 1 2.555 . . 1 . . . . . . . . 4308 1 129 . 1 1 18 18 TYR HB3 H 1 2.222 . . 1 . . . . . . . . 4308 1 130 . 1 1 18 18 TYR HD1 H 1 6.835 . . 1 . . . . . . . . 4308 1 131 . 1 1 18 18 TYR HD2 H 1 6.835 . . 1 . . . . . . . . 4308 1 132 . 1 1 18 18 TYR HE1 H 1 6.900 . . 1 . . . . . . . . 4308 1 133 . 1 1 18 18 TYR HE2 H 1 6.900 . . 1 . . . . . . . . 4308 1 134 . 1 1 18 18 TYR N N 15 122.946 . . 1 . . . . . . . . 4308 1 135 . 1 1 19 19 SER H H 1 8.926 . . 1 . . . . . . . . 4308 1 136 . 1 1 19 19 SER HA H 1 5.087 . . 1 . . . . . . . . 4308 1 137 . 1 1 19 19 SER HB2 H 1 3.469 . . 1 . . . . . . . . 4308 1 138 . 1 1 19 19 SER HB3 H 1 3.433 . . 1 . . . . . . . . 4308 1 139 . 1 1 19 19 SER N N 15 115.464 . . 1 . . . . . . . . 4308 1 140 . 1 1 20 20 LEU H H 1 8.577 . . 1 . . . . . . . . 4308 1 141 . 1 1 20 20 LEU HA H 1 4.970 . . 1 . . . . . . . . 4308 1 142 . 1 1 20 20 LEU HB2 H 1 1.957 . . 1 . . . . . . . . 4308 1 143 . 1 1 20 20 LEU HB3 H 1 1.957 . . 1 . . . . . . . . 4308 1 144 . 1 1 20 20 LEU HG H 1 1.539 . . 1 . . . . . . . . 4308 1 145 . 1 1 20 20 LEU HD11 H 1 0.899 . . 2 . . . . . . . . 4308 1 146 . 1 1 20 20 LEU HD12 H 1 0.899 . . 2 . . . . . . . . 4308 1 147 . 1 1 20 20 LEU HD13 H 1 0.899 . . 2 . . . . . . . . 4308 1 148 . 1 1 20 20 LEU HD21 H 1 0.584 . . 2 . . . . . . . . 4308 1 149 . 1 1 20 20 LEU HD22 H 1 0.584 . . 2 . . . . . . . . 4308 1 150 . 1 1 20 20 LEU HD23 H 1 0.584 . . 2 . . . . . . . . 4308 1 151 . 1 1 20 20 LEU N N 15 121.892 . . 1 . . . . . . . . 4308 1 152 . 1 1 21 21 ARG H H 1 8.764 . . 1 . . . . . . . . 4308 1 153 . 1 1 21 21 ARG HA H 1 4.625 . . 1 . . . . . . . . 4308 1 154 . 1 1 21 21 ARG HB2 H 1 1.505 . . 1 . . . . . . . . 4308 1 155 . 1 1 21 21 ARG HB3 H 1 1.306 . . 1 . . . . . . . . 4308 1 156 . 1 1 21 21 ARG HG2 H 1 1.712 . . 1 . . . . . . . . 4308 1 157 . 1 1 21 21 ARG HG3 H 1 1.666 . . 1 . . . . . . . . 4308 1 158 . 1 1 21 21 ARG HD2 H 1 3.022 . . 1 . . . . . . . . 4308 1 159 . 1 1 21 21 ARG HD3 H 1 2.924 . . 1 . . . . . . . . 4308 1 160 . 1 1 21 21 ARG HE H 1 7.329 . . 1 . . . . . . . . 4308 1 161 . 1 1 21 21 ARG N N 15 119.468 . . 1 . . . . . . . . 4308 1 162 . 1 1 21 21 ARG NE N 15 112.408 . . 1 . . . . . . . . 4308 1 163 . 1 1 22 22 TRP H H 1 7.810 . . 1 . . . . . . . . 4308 1 164 . 1 1 22 22 TRP HA H 1 5.912 . . 1 . . . . . . . . 4308 1 165 . 1 1 22 22 TRP HB2 H 1 3.357 . . 1 . . . . . . . . 4308 1 166 . 1 1 22 22 TRP HB3 H 1 3.008 . . 1 . . . . . . . . 4308 1 167 . 1 1 22 22 TRP HD1 H 1 6.242 . . 1 . . . . . . . . 4308 1 168 . 1 1 22 22 TRP HE1 H 1 6.720 . . 1 . . . . . . . . 4308 1 169 . 1 1 22 22 TRP HE3 H 1 6.861 . . 1 . . . . . . . . 4308 1 170 . 1 1 22 22 TRP HZ2 H 1 6.546 . . 1 . . . . . . . . 4308 1 171 . 1 1 22 22 TRP HZ3 H 1 6.770 . . 1 . . . . . . . . 4308 1 172 . 1 1 22 22 TRP HH2 H 1 6.577 . . 1 . . . . . . . . 4308 1 173 . 1 1 22 22 TRP N N 15 119.837 . . 1 . . . . . . . . 4308 1 174 . 1 1 22 22 TRP NE1 N 15 128.004 . . 1 . . . . . . . . 4308 1 175 . 1 1 23 23 GLU H H 1 8.346 . . 1 . . . . . . . . 4308 1 176 . 1 1 23 23 GLU HA H 1 4.785 . . 1 . . . . . . . . 4308 1 177 . 1 1 23 23 GLU HB2 H 1 1.909 . . 1 . . . . . . . . 4308 1 178 . 1 1 23 23 GLU HB3 H 1 1.909 . . 1 . . . . . . . . 4308 1 179 . 1 1 23 23 GLU HG2 H 1 2.256 . . 1 . . . . . . . . 4308 1 180 . 1 1 23 23 GLU HG3 H 1 2.127 . . 1 . . . . . . . . 4308 1 181 . 1 1 23 23 GLU N N 15 117.203 . . 1 . . . . . . . . 4308 1 182 . 1 1 24 24 THR H H 1 8.624 . . 1 . . . . . . . . 4308 1 183 . 1 1 24 24 THR HA H 1 4.773 . . 1 . . . . . . . . 4308 1 184 . 1 1 24 24 THR HB H 1 4.411 . . 1 . . . . . . . . 4308 1 185 . 1 1 24 24 THR HG21 H 1 1.360 . . 1 . . . . . . . . 4308 1 186 . 1 1 24 24 THR HG22 H 1 1.360 . . 1 . . . . . . . . 4308 1 187 . 1 1 24 24 THR HG23 H 1 1.360 . . 1 . . . . . . . . 4308 1 188 . 1 1 24 24 THR N N 15 113.567 . . 1 . . . . . . . . 4308 1 189 . 1 1 25 25 MET H H 1 8.568 . . 1 . . . . . . . . 4308 1 190 . 1 1 25 25 MET HA H 1 4.433 . . 1 . . . . . . . . 4308 1 191 . 1 1 25 25 MET HB2 H 1 2.124 . . 1 . . . . . . . . 4308 1 192 . 1 1 25 25 MET HB3 H 1 2.124 . . 1 . . . . . . . . 4308 1 193 . 1 1 25 25 MET HG2 H 1 2.669 . . 1 . . . . . . . . 4308 1 194 . 1 1 25 25 MET HG3 H 1 2.669 . . 1 . . . . . . . . 4308 1 195 . 1 1 25 25 MET HE1 H 1 2.266 . . 1 . . . . . . . . 4308 1 196 . 1 1 25 25 MET HE2 H 1 2.266 . . 1 . . . . . . . . 4308 1 197 . 1 1 25 25 MET HE3 H 1 2.266 . . 1 . . . . . . . . 4308 1 198 . 1 1 25 25 MET N N 15 121.471 . . 1 . . . . . . . . 4308 1 199 . 1 1 26 26 LYS H H 1 8.543 . . 1 . . . . . . . . 4308 1 200 . 1 1 26 26 LYS HA H 1 4.330 . . 1 . . . . . . . . 4308 1 201 . 1 1 26 26 LYS HB2 H 1 1.839 . . 1 . . . . . . . . 4308 1 202 . 1 1 26 26 LYS HB3 H 1 1.839 . . 1 . . . . . . . . 4308 1 203 . 1 1 26 26 LYS HG2 H 1 1.508 . . 1 . . . . . . . . 4308 1 204 . 1 1 26 26 LYS HG3 H 1 1.508 . . 1 . . . . . . . . 4308 1 205 . 1 1 26 26 LYS HD2 H 1 1.712 . . 1 . . . . . . . . 4308 1 206 . 1 1 26 26 LYS HD3 H 1 1.712 . . 1 . . . . . . . . 4308 1 207 . 1 1 26 26 LYS HE2 H 1 3.020 . . 1 . . . . . . . . 4308 1 208 . 1 1 26 26 LYS HE3 H 1 3.020 . . 1 . . . . . . . . 4308 1 209 . 1 1 26 26 LYS N N 15 122.841 . . 1 . . . . . . . . 4308 1 210 . 1 1 27 27 MET H H 1 8.471 . . 1 . . . . . . . . 4308 1 211 . 1 1 27 27 MET HA H 1 4.547 . . 1 . . . . . . . . 4308 1 212 . 1 1 27 27 MET HB2 H 1 2.086 . . 1 . . . . . . . . 4308 1 213 . 1 1 27 27 MET HB3 H 1 2.001 . . 1 . . . . . . . . 4308 1 214 . 1 1 27 27 MET HG2 H 1 2.570 . . 1 . . . . . . . . 4308 1 215 . 1 1 27 27 MET HG3 H 1 2.570 . . 1 . . . . . . . . 4308 1 216 . 1 1 27 27 MET HE1 H 1 2.134 . . 1 . . . . . . . . 4308 1 217 . 1 1 27 27 MET HE2 H 1 2.134 . . 1 . . . . . . . . 4308 1 218 . 1 1 27 27 MET HE3 H 1 2.134 . . 1 . . . . . . . . 4308 1 219 . 1 1 27 27 MET N N 15 121.998 . . 1 . . . . . . . . 4308 1 220 . 1 1 28 28 ARG H H 1 8.402 . . 1 . . . . . . . . 4308 1 221 . 1 1 28 28 ARG HA H 1 4.195 . . 1 . . . . . . . . 4308 1 222 . 1 1 28 28 ARG HB2 H 1 1.658 . . 1 . . . . . . . . 4308 1 223 . 1 1 28 28 ARG HB3 H 1 1.658 . . 1 . . . . . . . . 4308 1 224 . 1 1 28 28 ARG HG2 H 1 1.433 . . 1 . . . . . . . . 4308 1 225 . 1 1 28 28 ARG HG3 H 1 1.373 . . 1 . . . . . . . . 4308 1 226 . 1 1 28 28 ARG HD2 H 1 3.107 . . 1 . . . . . . . . 4308 1 227 . 1 1 28 28 ARG HD3 H 1 3.107 . . 1 . . . . . . . . 4308 1 228 . 1 1 28 28 ARG N N 15 121.365 . . 1 . . . . . . . . 4308 1 229 . 1 1 29 29 TYR H H 1 8.026 . . 1 . . . . . . . . 4308 1 230 . 1 1 29 29 TYR HA H 1 4.628 . . 1 . . . . . . . . 4308 1 231 . 1 1 29 29 TYR HB2 H 1 3.157 . . 1 . . . . . . . . 4308 1 232 . 1 1 29 29 TYR HB3 H 1 2.927 . . 1 . . . . . . . . 4308 1 233 . 1 1 29 29 TYR HD1 H 1 7.145 . . 1 . . . . . . . . 4308 1 234 . 1 1 29 29 TYR HD2 H 1 7.145 . . 1 . . . . . . . . 4308 1 235 . 1 1 29 29 TYR HE1 H 1 6.861 . . 1 . . . . . . . . 4308 1 236 . 1 1 29 29 TYR HE2 H 1 6.861 . . 1 . . . . . . . . 4308 1 237 . 1 1 29 29 TYR N N 15 119.468 . . 1 . . . . . . . . 4308 1 238 . 1 1 30 30 GLU H H 1 8.252 . . 1 . . . . . . . . 4308 1 239 . 1 1 30 30 GLU HA H 1 4.254 . . 1 . . . . . . . . 4308 1 240 . 1 1 30 30 GLU HB2 H 1 1.907 . . 1 . . . . . . . . 4308 1 241 . 1 1 30 30 GLU HB3 H 1 1.907 . . 1 . . . . . . . . 4308 1 242 . 1 1 30 30 GLU HG2 H 1 2.190 . . 1 . . . . . . . . 4308 1 243 . 1 1 30 30 GLU HG3 H 1 2.145 . . 1 . . . . . . . . 4308 1 244 . 1 1 30 30 GLU N N 15 120.996 . . 1 . . . . . . . . 4308 1 245 . 1 1 31 31 HIS H H 1 8.580 . . 1 . . . . . . . . 4308 1 246 . 1 1 31 31 HIS HA H 1 4.628 . . 1 . . . . . . . . 4308 1 247 . 1 1 31 31 HIS HB2 H 1 3.247 . . 1 . . . . . . . . 4308 1 248 . 1 1 31 31 HIS HB3 H 1 3.218 . . 1 . . . . . . . . 4308 1 249 . 1 1 31 31 HIS HD2 H 1 7.142 . . 1 . . . . . . . . 4308 1 250 . 1 1 31 31 HIS HE1 H 1 8.250 . . 1 . . . . . . . . 4308 1 251 . 1 1 31 31 HIS N N 15 118.836 . . 1 . . . . . . . . 4308 1 252 . 1 1 32 32 ILE H H 1 7.756 . . 1 . . . . . . . . 4308 1 253 . 1 1 32 32 ILE HA H 1 4.321 . . 1 . . . . . . . . 4308 1 254 . 1 1 32 32 ILE HB H 1 1.750 . . 1 . . . . . . . . 4308 1 255 . 1 1 32 32 ILE HG12 H 1 1.356 . . 1 . . . . . . . . 4308 1 256 . 1 1 32 32 ILE HG13 H 1 1.088 . . 1 . . . . . . . . 4308 1 257 . 1 1 32 32 ILE HG21 H 1 0.748 . . 4 . . . . . . . . 4308 1 258 . 1 1 32 32 ILE HG22 H 1 0.748 . . 4 . . . . . . . . 4308 1 259 . 1 1 32 32 ILE HG23 H 1 0.748 . . 4 . . . . . . . . 4308 1 260 . 1 1 32 32 ILE HD11 H 1 0.800 . . 4 . . . . . . . . 4308 1 261 . 1 1 32 32 ILE HD12 H 1 0.800 . . 4 . . . . . . . . 4308 1 262 . 1 1 32 32 ILE HD13 H 1 0.800 . . 4 . . . . . . . . 4308 1 263 . 1 1 32 32 ILE N N 15 121.370 . . 1 . . . . . . . . 4308 1 264 . 1 1 33 33 ASP H H 1 8.251 . . 1 . . . . . . . . 4308 1 265 . 1 1 33 33 ASP HA H 1 5.116 . . 1 . . . . . . . . 4308 1 266 . 1 1 33 33 ASP HB2 H 1 2.606 . . 1 . . . . . . . . 4308 1 267 . 1 1 33 33 ASP HB3 H 1 2.569 . . 1 . . . . . . . . 4308 1 268 . 1 1 33 33 ASP N N 15 123.894 . . 1 . . . . . . . . 4308 1 269 . 1 1 34 34 HIS H H 1 8.830 . . 1 . . . . . . . . 4308 1 270 . 1 1 34 34 HIS HA H 1 5.041 . . 1 . . . . . . . . 4308 1 271 . 1 1 34 34 HIS HB2 H 1 2.992 . . 1 . . . . . . . . 4308 1 272 . 1 1 34 34 HIS HB3 H 1 2.384 . . 1 . . . . . . . . 4308 1 273 . 1 1 34 34 HIS HD2 H 1 6.688 . . 1 . . . . . . . . 4308 1 274 . 1 1 34 34 HIS HE1 H 1 7.864 . . 1 . . . . . . . . 4308 1 275 . 1 1 34 34 HIS N N 15 120.504 . . 1 . . . . . . . . 4308 1 276 . 1 1 35 35 THR H H 1 8.816 . . 1 . . . . . . . . 4308 1 277 . 1 1 35 35 THR HA H 1 4.632 . . 1 . . . . . . . . 4308 1 278 . 1 1 35 35 THR HB H 1 3.520 . . 1 . . . . . . . . 4308 1 279 . 1 1 35 35 THR HG21 H 1 1.299 . . 1 . . . . . . . . 4308 1 280 . 1 1 35 35 THR HG22 H 1 1.299 . . 1 . . . . . . . . 4308 1 281 . 1 1 35 35 THR HG23 H 1 1.299 . . 1 . . . . . . . . 4308 1 282 . 1 1 35 35 THR N N 15 120.206 . . 1 . . . . . . . . 4308 1 283 . 1 1 36 36 PHE H H 1 9.599 . . 1 . . . . . . . . 4308 1 284 . 1 1 36 36 PHE HA H 1 5.629 . . 1 . . . . . . . . 4308 1 285 . 1 1 36 36 PHE HB2 H 1 2.811 . . 1 . . . . . . . . 4308 1 286 . 1 1 36 36 PHE HB3 H 1 2.510 . . 1 . . . . . . . . 4308 1 287 . 1 1 36 36 PHE HD1 H 1 7.106 . . 1 . . . . . . . . 4308 1 288 . 1 1 36 36 PHE HD2 H 1 7.106 . . 1 . . . . . . . . 4308 1 289 . 1 1 36 36 PHE HE1 H 1 7.211 . . 1 . . . . . . . . 4308 1 290 . 1 1 36 36 PHE HE2 H 1 7.211 . . 1 . . . . . . . . 4308 1 291 . 1 1 36 36 PHE HZ H 1 7.462 . . 1 . . . . . . . . 4308 1 292 . 1 1 36 36 PHE N N 15 123.894 . . 1 . . . . . . . . 4308 1 293 . 1 1 37 37 GLU H H 1 8.344 . . 1 . . . . . . . . 4308 1 294 . 1 1 37 37 GLU HA H 1 5.296 . . 1 . . . . . . . . 4308 1 295 . 1 1 37 37 GLU HB2 H 1 2.003 . . 1 . . . . . . . . 4308 1 296 . 1 1 37 37 GLU HB3 H 1 2.003 . . 1 . . . . . . . . 4308 1 297 . 1 1 37 37 GLU HG2 H 1 2.206 . . 1 . . . . . . . . 4308 1 298 . 1 1 37 37 GLU HG3 H 1 2.166 . . 1 . . . . . . . . 4308 1 299 . 1 1 37 37 GLU N N 15 121.734 . . 1 . . . . . . . . 4308 1 300 . 1 1 38 38 ILE H H 1 9.237 . . 1 . . . . . . . . 4308 1 301 . 1 1 38 38 ILE HA H 1 4.963 . . 1 . . . . . . . . 4308 1 302 . 1 1 38 38 ILE HB H 1 1.676 . . 1 . . . . . . . . 4308 1 303 . 1 1 38 38 ILE HG12 H 1 1.022 . . 1 . . . . . . . . 4308 1 304 . 1 1 38 38 ILE HG13 H 1 1.022 . . 1 . . . . . . . . 4308 1 305 . 1 1 38 38 ILE HG21 H 1 0.928 . . 4 . . . . . . . . 4308 1 306 . 1 1 38 38 ILE HG22 H 1 0.928 . . 4 . . . . . . . . 4308 1 307 . 1 1 38 38 ILE HG23 H 1 0.928 . . 4 . . . . . . . . 4308 1 308 . 1 1 38 38 ILE HD11 H 1 0.617 . . 4 . . . . . . . . 4308 1 309 . 1 1 38 38 ILE HD12 H 1 0.617 . . 4 . . . . . . . . 4308 1 310 . 1 1 38 38 ILE HD13 H 1 0.617 . . 4 . . . . . . . . 4308 1 311 . 1 1 38 38 ILE N N 15 124.421 . . 1 . . . . . . . . 4308 1 312 . 1 1 39 39 GLN H H 1 8.851 . . 1 . . . . . . . . 4308 1 313 . 1 1 39 39 GLN HA H 1 5.793 . . 1 . . . . . . . . 4308 1 314 . 1 1 39 39 GLN HB2 H 1 1.976 . . 1 . . . . . . . . 4308 1 315 . 1 1 39 39 GLN HB3 H 1 1.496 . . 1 . . . . . . . . 4308 1 316 . 1 1 39 39 GLN HG2 H 1 2.496 . . 1 . . . . . . . . 4308 1 317 . 1 1 39 39 GLN HG3 H 1 2.112 . . 1 . . . . . . . . 4308 1 318 . 1 1 39 39 GLN HE21 H 1 6.880 . . 1 . . . . . . . . 4308 1 319 . 1 1 39 39 GLN HE22 H 1 6.375 . . 1 . . . . . . . . 4308 1 320 . 1 1 39 39 GLN N N 15 122.946 . . 1 . . . . . . . . 4308 1 321 . 1 1 39 39 GLN NE2 N 15 109.036 . . 1 . . . . . . . . 4308 1 322 . 1 1 40 40 TYR H H 1 8.765 . . 1 . . . . . . . . 4308 1 323 . 1 1 40 40 TYR HA H 1 6.420 . . 1 . . . . . . . . 4308 1 324 . 1 1 40 40 TYR HB2 H 1 3.411 . . 1 . . . . . . . . 4308 1 325 . 1 1 40 40 TYR HB3 H 1 3.302 . . 1 . . . . . . . . 4308 1 326 . 1 1 40 40 TYR HD1 H 1 6.963 . . 1 . . . . . . . . 4308 1 327 . 1 1 40 40 TYR HD2 H 1 6.963 . . 1 . . . . . . . . 4308 1 328 . 1 1 40 40 TYR HE1 H 1 6.743 . . 1 . . . . . . . . 4308 1 329 . 1 1 40 40 TYR HE2 H 1 6.743 . . 1 . . . . . . . . 4308 1 330 . 1 1 40 40 TYR N N 15 115.517 . . 1 . . . . . . . . 4308 1 331 . 1 1 41 41 ARG H H 1 9.521 . . 1 . . . . . . . . 4308 1 332 . 1 1 41 41 ARG HA H 1 4.991 . . 1 . . . . . . . . 4308 1 333 . 1 1 41 41 ARG HB2 H 1 1.492 . . 1 . . . . . . . . 4308 1 334 . 1 1 41 41 ARG HB3 H 1 1.206 . . 1 . . . . . . . . 4308 1 335 . 1 1 41 41 ARG HG2 H 1 1.905 . . 1 . . . . . . . . 4308 1 336 . 1 1 41 41 ARG HG3 H 1 0.966 . . 1 . . . . . . . . 4308 1 337 . 1 1 41 41 ARG HD2 H 1 3.820 . . 1 . . . . . . . . 4308 1 338 . 1 1 41 41 ARG HD3 H 1 3.820 . . 1 . . . . . . . . 4308 1 339 . 1 1 41 41 ARG HE H 1 5.915 . . 1 . . . . . . . . 4308 1 340 . 1 1 41 41 ARG N N 15 117.572 . . 1 . . . . . . . . 4308 1 341 . 1 1 41 41 ARG NE N 15 110.775 . . 1 . . . . . . . . 4308 1 342 . 1 1 42 42 LYS H H 1 8.368 . . 1 . . . . . . . . 4308 1 343 . 1 1 42 42 LYS HA H 1 4.038 . . 1 . . . . . . . . 4308 1 344 . 1 1 42 42 LYS HB2 H 1 1.355 . . 1 . . . . . . . . 4308 1 345 . 1 1 42 42 LYS HB3 H 1 1.250 . . 1 . . . . . . . . 4308 1 346 . 1 1 42 42 LYS HG2 H 1 0.849 . . 1 . . . . . . . . 4308 1 347 . 1 1 42 42 LYS HG3 H 1 0.833 . . 1 . . . . . . . . 4308 1 348 . 1 1 42 42 LYS HD2 H 1 1.564 . . 1 . . . . . . . . 4308 1 349 . 1 1 42 42 LYS HD3 H 1 1.564 . . 1 . . . . . . . . 4308 1 350 . 1 1 42 42 LYS HE2 H 1 2.844 . . 1 . . . . . . . . 4308 1 351 . 1 1 42 42 LYS HE3 H 1 2.844 . . 1 . . . . . . . . 4308 1 352 . 1 1 42 42 LYS N N 15 120.153 . . 1 . . . . . . . . 4308 1 353 . 1 1 43 43 ASP H H 1 8.569 . . 1 . . . . . . . . 4308 1 354 . 1 1 43 43 ASP HA H 1 4.794 . . 1 . . . . . . . . 4308 1 355 . 1 1 43 43 ASP HB2 H 1 4.230 . . 1 . . . . . . . . 4308 1 356 . 1 1 43 43 ASP HB3 H 1 2.604 . . 1 . . . . . . . . 4308 1 357 . 1 1 43 43 ASP N N 15 121.102 . . 1 . . . . . . . . 4308 1 358 . 1 1 44 44 THR H H 1 7.183 . . 1 . . . . . . . . 4308 1 359 . 1 1 44 44 THR HA H 1 4.043 . . 1 . . . . . . . . 4308 1 360 . 1 1 44 44 THR HB H 1 4.793 . . 1 . . . . . . . . 4308 1 361 . 1 1 44 44 THR HG21 H 1 1.294 . . 1 . . . . . . . . 4308 1 362 . 1 1 44 44 THR HG22 H 1 1.294 . . 1 . . . . . . . . 4308 1 363 . 1 1 44 44 THR HG23 H 1 1.294 . . 1 . . . . . . . . 4308 1 364 . 1 1 44 44 THR N N 15 128.320 . . 1 . . . . . . . . 4308 1 365 . 1 1 45 45 ALA H H 1 7.464 . . 1 . . . . . . . . 4308 1 366 . 1 1 45 45 ALA HA H 1 4.715 . . 1 . . . . . . . . 4308 1 367 . 1 1 45 45 ALA HB1 H 1 1.412 . . 1 . . . . . . . . 4308 1 368 . 1 1 45 45 ALA HB2 H 1 1.412 . . 1 . . . . . . . . 4308 1 369 . 1 1 45 45 ALA HB3 H 1 1.412 . . 1 . . . . . . . . 4308 1 370 . 1 1 45 45 ALA N N 15 125.739 . . 1 . . . . . . . . 4308 1 371 . 1 1 46 46 THR H H 1 8.316 . . 1 . . . . . . . . 4308 1 372 . 1 1 46 46 THR HA H 1 4.323 . . 1 . . . . . . . . 4308 1 373 . 1 1 46 46 THR HB H 1 4.453 . . 1 . . . . . . . . 4308 1 374 . 1 1 46 46 THR HG21 H 1 1.155 . . 1 . . . . . . . . 4308 1 375 . 1 1 46 46 THR HG22 H 1 1.155 . . 1 . . . . . . . . 4308 1 376 . 1 1 46 46 THR HG23 H 1 1.155 . . 1 . . . . . . . . 4308 1 377 . 1 1 46 46 THR N N 15 109.510 . . 1 . . . . . . . . 4308 1 378 . 1 1 47 47 TRP H H 1 8.125 . . 1 . . . . . . . . 4308 1 379 . 1 1 47 47 TRP HA H 1 4.219 . . 1 . . . . . . . . 4308 1 380 . 1 1 47 47 TRP HB2 H 1 3.167 . . 1 . . . . . . . . 4308 1 381 . 1 1 47 47 TRP HB3 H 1 2.847 . . 1 . . . . . . . . 4308 1 382 . 1 1 47 47 TRP HD1 H 1 7.170 . . 1 . . . . . . . . 4308 1 383 . 1 1 47 47 TRP HE1 H 1 9.969 . . 1 . . . . . . . . 4308 1 384 . 1 1 47 47 TRP HE3 H 1 7.329 . . 1 . . . . . . . . 4308 1 385 . 1 1 47 47 TRP HZ2 H 1 7.219 . . 1 . . . . . . . . 4308 1 386 . 1 1 47 47 TRP HZ3 H 1 6.678 . . 1 . . . . . . . . 4308 1 387 . 1 1 47 47 TRP HH2 H 1 6.798 . . 1 . . . . . . . . 4308 1 388 . 1 1 47 47 TRP N N 15 117.835 . . 1 . . . . . . . . 4308 1 389 . 1 1 47 47 TRP NE1 N 15 129.058 . . 1 . . . . . . . . 4308 1 390 . 1 1 48 48 LYS HA H 1 4.095 . . 1 . . . . . . . . 4308 1 391 . 1 1 48 48 LYS HB2 H 1 1.814 . . 1 . . . . . . . . 4308 1 392 . 1 1 48 48 LYS HB3 H 1 1.814 . . 1 . . . . . . . . 4308 1 393 . 1 1 48 48 LYS HG2 H 1 1.437 . . 1 . . . . . . . . 4308 1 394 . 1 1 48 48 LYS HG3 H 1 1.437 . . 1 . . . . . . . . 4308 1 395 . 1 1 48 48 LYS HD2 H 1 1.727 . . 1 . . . . . . . . 4308 1 396 . 1 1 48 48 LYS HD3 H 1 1.727 . . 1 . . . . . . . . 4308 1 397 . 1 1 48 48 LYS HE2 H 1 3.000 . . 1 . . . . . . . . 4308 1 398 . 1 1 48 48 LYS HE3 H 1 3.000 . . 1 . . . . . . . . 4308 1 399 . 1 1 49 49 ASP H H 1 7.296 . . 1 . . . . . . . . 4308 1 400 . 1 1 49 49 ASP HA H 1 4.881 . . 1 . . . . . . . . 4308 1 401 . 1 1 49 49 ASP HB2 H 1 2.982 . . 1 . . . . . . . . 4308 1 402 . 1 1 49 49 ASP HB3 H 1 2.539 . . 1 . . . . . . . . 4308 1 403 . 1 1 50 50 SER H H 1 7.339 . . 1 . . . . . . . . 4308 1 404 . 1 1 50 50 SER HA H 1 4.313 . . 1 . . . . . . . . 4308 1 405 . 1 1 50 50 SER HB2 H 1 3.918 . . 1 . . . . . . . . 4308 1 406 . 1 1 50 50 SER HB3 H 1 3.918 . . 1 . . . . . . . . 4308 1 407 . 1 1 50 50 SER N N 15 115.253 . . 1 . . . . . . . . 4308 1 408 . 1 1 51 51 LYS H H 1 8.246 . . 1 . . . . . . . . 4308 1 409 . 1 1 51 51 LYS HA H 1 4.486 . . 1 . . . . . . . . 4308 1 410 . 1 1 51 51 LYS HB2 H 1 1.437 . . 1 . . . . . . . . 4308 1 411 . 1 1 51 51 LYS HB3 H 1 1.280 . . 1 . . . . . . . . 4308 1 412 . 1 1 51 51 LYS HG2 H 1 1.391 . . 1 . . . . . . . . 4308 1 413 . 1 1 51 51 LYS HG3 H 1 1.391 . . 1 . . . . . . . . 4308 1 414 . 1 1 51 51 LYS HD2 H 1 1.763 . . 1 . . . . . . . . 4308 1 415 . 1 1 51 51 LYS HD3 H 1 1.763 . . 1 . . . . . . . . 4308 1 416 . 1 1 51 51 LYS HE2 H 1 3.108 . . 1 . . . . . . . . 4308 1 417 . 1 1 51 51 LYS HE3 H 1 3.108 . . 1 . . . . . . . . 4308 1 418 . 1 1 51 51 LYS N N 15 122.946 . . 1 . . . . . . . . 4308 1 419 . 1 1 52 52 THR H H 1 8.534 . . 1 . . . . . . . . 4308 1 420 . 1 1 52 52 THR HA H 1 5.472 . . 1 . . . . . . . . 4308 1 421 . 1 1 52 52 THR HB H 1 4.033 . . 1 . . . . . . . . 4308 1 422 . 1 1 52 52 THR HG21 H 1 1.185 . . 1 . . . . . . . . 4308 1 423 . 1 1 52 52 THR HG22 H 1 1.185 . . 1 . . . . . . . . 4308 1 424 . 1 1 52 52 THR HG23 H 1 1.185 . . 1 . . . . . . . . 4308 1 425 . 1 1 52 52 THR N N 15 119.785 . . 1 . . . . . . . . 4308 1 426 . 1 1 53 53 GLU H H 1 9.283 . . 1 . . . . . . . . 4308 1 427 . 1 1 53 53 GLU HA H 1 4.972 . . 1 . . . . . . . . 4308 1 428 . 1 1 53 53 GLU HB2 H 1 2.146 . . 1 . . . . . . . . 4308 1 429 . 1 1 53 53 GLU HB3 H 1 1.886 . . 1 . . . . . . . . 4308 1 430 . 1 1 53 53 GLU HG2 H 1 2.437 . . 1 . . . . . . . . 4308 1 431 . 1 1 53 53 GLU HG3 H 1 2.437 . . 1 . . . . . . . . 4308 1 432 . 1 1 53 53 GLU N N 15 127.319 . . 1 . . . . . . . . 4308 1 433 . 1 1 54 54 THR H H 1 8.888 . . 1 . . . . . . . . 4308 1 434 . 1 1 54 54 THR HA H 1 5.662 . . 1 . . . . . . . . 4308 1 435 . 1 1 54 54 THR HB H 1 4.075 . . 1 . . . . . . . . 4308 1 436 . 1 1 54 54 THR HG21 H 1 1.293 . . 1 . . . . . . . . 4308 1 437 . 1 1 54 54 THR HG22 H 1 1.293 . . 1 . . . . . . . . 4308 1 438 . 1 1 54 54 THR HG23 H 1 1.293 . . 1 . . . . . . . . 4308 1 439 . 1 1 54 54 THR N N 15 119.310 . . 1 . . . . . . . . 4308 1 440 . 1 1 55 55 LEU H H 1 9.377 . . 1 . . . . . . . . 4308 1 441 . 1 1 55 55 LEU HA H 1 5.094 . . 1 . . . . . . . . 4308 1 442 . 1 1 55 55 LEU HB2 H 1 1.850 . . 1 . . . . . . . . 4308 1 443 . 1 1 55 55 LEU HB3 H 1 1.776 . . 1 . . . . . . . . 4308 1 444 . 1 1 55 55 LEU HG H 1 1.779 . . 1 . . . . . . . . 4308 1 445 . 1 1 55 55 LEU HD11 H 1 1.192 . . 2 . . . . . . . . 4308 1 446 . 1 1 55 55 LEU HD12 H 1 1.192 . . 2 . . . . . . . . 4308 1 447 . 1 1 55 55 LEU HD13 H 1 1.192 . . 2 . . . . . . . . 4308 1 448 . 1 1 55 55 LEU HD21 H 1 1.160 . . 2 . . . . . . . . 4308 1 449 . 1 1 55 55 LEU HD22 H 1 1.160 . . 2 . . . . . . . . 4308 1 450 . 1 1 55 55 LEU HD23 H 1 1.160 . . 2 . . . . . . . . 4308 1 451 . 1 1 55 55 LEU N N 15 126.423 . . 1 . . . . . . . . 4308 1 452 . 1 1 56 56 GLN H H 1 9.112 . . 1 . . . . . . . . 4308 1 453 . 1 1 56 56 GLN HA H 1 5.391 . . 1 . . . . . . . . 4308 1 454 . 1 1 56 56 GLN HB2 H 1 2.149 . . 1 . . . . . . . . 4308 1 455 . 1 1 56 56 GLN HB3 H 1 2.112 . . 1 . . . . . . . . 4308 1 456 . 1 1 56 56 GLN HG2 H 1 2.440 . . 1 . . . . . . . . 4308 1 457 . 1 1 56 56 GLN HG3 H 1 2.440 . . 1 . . . . . . . . 4308 1 458 . 1 1 56 56 GLN HE21 H 1 7.476 . . 1 . . . . . . . . 4308 1 459 . 1 1 56 56 GLN HE22 H 1 6.841 . . 1 . . . . . . . . 4308 1 460 . 1 1 56 56 GLN N N 15 121.049 . . 1 . . . . . . . . 4308 1 461 . 1 1 56 56 GLN NE2 N 15 111.407 . . 1 . . . . . . . . 4308 1 462 . 1 1 57 57 ASN H H 1 9.730 0.008 . 1 . . . . . . . . 4308 1 463 . 1 1 57 57 ASN HA H 1 4.749 . . 1 . . . . . . . . 4308 1 464 . 1 1 57 57 ASN HB2 H 1 3.207 . . 1 . . . . . . . . 4308 1 465 . 1 1 57 57 ASN HB3 H 1 3.178 . . 1 . . . . . . . . 4308 1 466 . 1 1 57 57 ASN HD21 H 1 7.839 . . 1 . . . . . . . . 4308 1 467 . 1 1 57 57 ASN HD22 H 1 7.839 . . 1 . . . . . . . . 4308 1 468 . 1 1 57 57 ASN N N 15 118.994 . . 1 . . . . . . . . 4308 1 469 . 1 1 57 57 ASN ND2 N 15 115.569 . . 1 . . . . . . . . 4308 1 470 . 1 1 58 58 ALA H H 1 7.098 0.008 . 1 . . . . . . . . 4308 1 471 . 1 1 58 58 ALA HA H 1 4.669 . . 1 . . . . . . . . 4308 1 472 . 1 1 58 58 ALA HB1 H 1 1.585 . . 1 . . . . . . . . 4308 1 473 . 1 1 58 58 ALA HB2 H 1 1.585 . . 1 . . . . . . . . 4308 1 474 . 1 1 58 58 ALA HB3 H 1 1.585 . . 1 . . . . . . . . 4308 1 475 . 1 1 58 58 ALA N N 15 119.837 . . 1 . . . . . . . . 4308 1 476 . 1 1 59 59 HIS H H 1 8.283 . . 1 . . . . . . . . 4308 1 477 . 1 1 59 59 HIS HA H 1 3.462 . . 1 . . . . . . . . 4308 1 478 . 1 1 59 59 HIS HB2 H 1 3.247 . . 1 . . . . . . . . 4308 1 479 . 1 1 59 59 HIS HB3 H 1 2.592 . . 1 . . . . . . . . 4308 1 480 . 1 1 59 59 HIS HD2 H 1 6.950 . . 1 . . . . . . . . 4308 1 481 . 1 1 59 59 HIS HE1 H 1 8.345 . . 1 . . . . . . . . 4308 1 482 . 1 1 59 59 HIS N N 15 114.041 . . 1 . . . . . . . . 4308 1 483 . 1 1 60 60 SER H H 1 6.689 . . 1 . . . . . . . . 4308 1 484 . 1 1 60 60 SER HA H 1 4.355 . . 1 . . . . . . . . 4308 1 485 . 1 1 60 60 SER HB2 H 1 3.519 . . 1 . . . . . . . . 4308 1 486 . 1 1 60 60 SER HB3 H 1 3.519 . . 1 . . . . . . . . 4308 1 487 . 1 1 60 60 SER N N 15 111.249 . . 1 . . . . . . . . 4308 1 488 . 1 1 61 61 MET H H 1 8.692 . . 1 . . . . . . . . 4308 1 489 . 1 1 61 61 MET HA H 1 4.483 . . 1 . . . . . . . . 4308 1 490 . 1 1 61 61 MET HB2 H 1 2.242 . . 1 . . . . . . . . 4308 1 491 . 1 1 61 61 MET HB3 H 1 2.111 . . 1 . . . . . . . . 4308 1 492 . 1 1 61 61 MET HG2 H 1 2.664 . . 1 . . . . . . . . 4308 1 493 . 1 1 61 61 MET HG3 H 1 2.492 . . 1 . . . . . . . . 4308 1 494 . 1 1 61 61 MET HE1 H 1 2.126 . . 1 . . . . . . . . 4308 1 495 . 1 1 61 61 MET HE2 H 1 2.126 . . 1 . . . . . . . . 4308 1 496 . 1 1 61 61 MET HE3 H 1 2.126 . . 1 . . . . . . . . 4308 1 497 . 1 1 61 61 MET N N 15 117.466 . . 1 . . . . . . . . 4308 1 498 . 1 1 62 62 ALA H H 1 8.694 . . 1 . . . . . . . . 4308 1 499 . 1 1 62 62 ALA HA H 1 4.671 . . 1 . . . . . . . . 4308 1 500 . 1 1 62 62 ALA HB1 H 1 1.358 . . 1 . . . . . . . . 4308 1 501 . 1 1 62 62 ALA HB2 H 1 1.358 . . 1 . . . . . . . . 4308 1 502 . 1 1 62 62 ALA HB3 H 1 1.358 . . 1 . . . . . . . . 4308 1 503 . 1 1 62 62 ALA N N 15 129.796 . . 1 . . . . . . . . 4308 1 504 . 1 1 63 63 LEU H H 1 8.368 . . 1 . . . . . . . . 4308 1 505 . 1 1 63 63 LEU HA H 1 4.554 . . 1 . . . . . . . . 4308 1 506 . 1 1 63 63 LEU HB2 H 1 1.760 . . 1 . . . . . . . . 4308 1 507 . 1 1 63 63 LEU HB3 H 1 1.254 . . 1 . . . . . . . . 4308 1 508 . 1 1 63 63 LEU HG H 1 1.354 . . 1 . . . . . . . . 4308 1 509 . 1 1 63 63 LEU HD11 H 1 0.394 . . 2 . . . . . . . . 4308 1 510 . 1 1 63 63 LEU HD12 H 1 0.394 . . 2 . . . . . . . . 4308 1 511 . 1 1 63 63 LEU HD13 H 1 0.394 . . 2 . . . . . . . . 4308 1 512 . 1 1 63 63 LEU HD21 H 1 0.260 . . 2 . . . . . . . . 4308 1 513 . 1 1 63 63 LEU HD22 H 1 0.260 . . 2 . . . . . . . . 4308 1 514 . 1 1 63 63 LEU HD23 H 1 0.260 . . 2 . . . . . . . . 4308 1 515 . 1 1 63 63 LEU N N 15 123.842 . . 1 . . . . . . . . 4308 1 516 . 1 1 64 64 PRO HA H 1 4.676 . . 1 . . . . . . . . 4308 1 517 . 1 1 64 64 PRO HB2 H 1 2.340 . . 1 . . . . . . . . 4308 1 518 . 1 1 64 64 PRO HB3 H 1 2.340 . . 1 . . . . . . . . 4308 1 519 . 1 1 64 64 PRO HG2 H 1 2.166 . . 1 . . . . . . . . 4308 1 520 . 1 1 64 64 PRO HG3 H 1 1.916 . . 1 . . . . . . . . 4308 1 521 . 1 1 64 64 PRO HD2 H 1 3.722 . . 1 . . . . . . . . 4308 1 522 . 1 1 64 64 PRO HD3 H 1 3.433 . . 1 . . . . . . . . 4308 1 523 . 1 1 65 65 ALA H H 1 8.105 . . 1 . . . . . . . . 4308 1 524 . 1 1 65 65 ALA HA H 1 4.255 . . 1 . . . . . . . . 4308 1 525 . 1 1 65 65 ALA HB1 H 1 1.437 . . 1 . . . . . . . . 4308 1 526 . 1 1 65 65 ALA HB2 H 1 1.437 . . 1 . . . . . . . . 4308 1 527 . 1 1 65 65 ALA HB3 H 1 1.437 . . 1 . . . . . . . . 4308 1 528 . 1 1 65 65 ALA N N 15 119.310 . . 1 . . . . . . . . 4308 1 529 . 1 1 66 66 LEU H H 1 8.525 . . 1 . . . . . . . . 4308 1 530 . 1 1 66 66 LEU HA H 1 4.640 . . 1 . . . . . . . . 4308 1 531 . 1 1 66 66 LEU HB2 H 1 1.635 . . 1 . . . . . . . . 4308 1 532 . 1 1 66 66 LEU HB3 H 1 1.502 . . 1 . . . . . . . . 4308 1 533 . 1 1 66 66 LEU HG H 1 2.053 . . 1 . . . . . . . . 4308 1 534 . 1 1 66 66 LEU HD11 H 1 0.486 . . 2 . . . . . . . . 4308 1 535 . 1 1 66 66 LEU HD12 H 1 0.486 . . 2 . . . . . . . . 4308 1 536 . 1 1 66 66 LEU HD13 H 1 0.486 . . 2 . . . . . . . . 4308 1 537 . 1 1 66 66 LEU HD21 H 1 0.327 . . 2 . . . . . . . . 4308 1 538 . 1 1 66 66 LEU HD22 H 1 0.327 . . 2 . . . . . . . . 4308 1 539 . 1 1 66 66 LEU HD23 H 1 0.327 . . 2 . . . . . . . . 4308 1 540 . 1 1 66 66 LEU N N 15 123.578 . . 1 . . . . . . . . 4308 1 541 . 1 1 67 67 GLU H H 1 8.400 . . 1 . . . . . . . . 4308 1 542 . 1 1 67 67 GLU HB2 H 1 2.587 . . 1 . . . . . . . . 4308 1 543 . 1 1 67 67 GLU HB3 H 1 2.515 . . 1 . . . . . . . . 4308 1 544 . 1 1 67 67 GLU N N 15 122.419 . . 1 . . . . . . . . 4308 1 545 . 1 1 68 68 PRO HA H 1 4.682 . . 1 . . . . . . . . 4308 1 546 . 1 1 68 68 PRO HB2 H 1 2.528 . . 1 . . . . . . . . 4308 1 547 . 1 1 68 68 PRO HB3 H 1 2.528 . . 1 . . . . . . . . 4308 1 548 . 1 1 68 68 PRO HG2 H 1 2.129 . . 1 . . . . . . . . 4308 1 549 . 1 1 68 68 PRO HG3 H 1 2.082 . . 1 . . . . . . . . 4308 1 550 . 1 1 68 68 PRO HD2 H 1 3.942 . . 1 . . . . . . . . 4308 1 551 . 1 1 68 68 PRO HD3 H 1 3.769 . . 1 . . . . . . . . 4308 1 552 . 1 1 69 69 SER H H 1 8.007 . . 1 . . . . . . . . 4308 1 553 . 1 1 69 69 SER HA H 1 3.982 . . 1 . . . . . . . . 4308 1 554 . 1 1 69 69 SER HB2 H 1 4.068 . . 1 . . . . . . . . 4308 1 555 . 1 1 69 69 SER HB3 H 1 3.744 . . 1 . . . . . . . . 4308 1 556 . 1 1 69 69 SER HG H 1 6.463 . . 5 . . . . . . . . 4308 1 557 . 1 1 69 69 SER N N 15 119.567 . . 1 . . . . . . . . 4308 1 558 . 1 1 70 70 THR H H 1 8.395 . . 1 . . . . . . . . 4308 1 559 . 1 1 70 70 THR HA H 1 4.360 . . 1 . . . . . . . . 4308 1 560 . 1 1 70 70 THR HB H 1 3.727 . . 1 . . . . . . . . 4308 1 561 . 1 1 70 70 THR HG1 H 1 6.463 . . 5 . . . . . . . . 4308 1 562 . 1 1 70 70 THR HG21 H 1 0.641 . . 1 . . . . . . . . 4308 1 563 . 1 1 70 70 THR HG22 H 1 0.641 . . 1 . . . . . . . . 4308 1 564 . 1 1 70 70 THR HG23 H 1 0.641 . . 1 . . . . . . . . 4308 1 565 . 1 1 70 70 THR N N 15 115.886 . . 1 . . . . . . . . 4308 1 566 . 1 1 71 71 ARG H H 1 8.230 . . 1 . . . . . . . . 4308 1 567 . 1 1 71 71 ARG HA H 1 5.019 . . 1 . . . . . . . . 4308 1 568 . 1 1 71 71 ARG HB2 H 1 1.453 . . 1 . . . . . . . . 4308 1 569 . 1 1 71 71 ARG HB3 H 1 1.748 . . 1 . . . . . . . . 4308 1 570 . 1 1 71 71 ARG HG2 H 1 0.947 . . 1 . . . . . . . . 4308 1 571 . 1 1 71 71 ARG HG3 H 1 1.153 . . 1 . . . . . . . . 4308 1 572 . 1 1 71 71 ARG HD2 H 1 2.845 . . 1 . . . . . . . . 4308 1 573 . 1 1 71 71 ARG HD3 H 1 2.845 . . 1 . . . . . . . . 4308 1 574 . 1 1 71 71 ARG HE H 1 8.685 . . 1 . . . . . . . . 4308 1 575 . 1 1 71 71 ARG N N 15 127.056 . . 1 . . . . . . . . 4308 1 576 . 1 1 71 71 ARG NE N 15 113.251 . . 1 . . . . . . . . 4308 1 577 . 1 1 72 72 TYR H H 1 8.389 . . 1 . . . . . . . . 4308 1 578 . 1 1 72 72 TYR HA H 1 4.792 . . 1 . . . . . . . . 4308 1 579 . 1 1 72 72 TYR HB2 H 1 1.613 . . 1 . . . . . . . . 4308 1 580 . 1 1 72 72 TYR HB3 H 1 0.025 . . 1 . . . . . . . . 4308 1 581 . 1 1 72 72 TYR HD1 H 1 6.504 . . 1 . . . . . . . . 4308 1 582 . 1 1 72 72 TYR HD2 H 1 6.504 . . 1 . . . . . . . . 4308 1 583 . 1 1 72 72 TYR HE1 H 1 6.756 . . 1 . . . . . . . . 4308 1 584 . 1 1 72 72 TYR HE2 H 1 6.756 . . 1 . . . . . . . . 4308 1 585 . 1 1 72 72 TYR N N 15 126.950 . . 1 . . . . . . . . 4308 1 586 . 1 1 73 73 TRP H H 1 8.782 . . 1 . . . . . . . . 4308 1 587 . 1 1 73 73 TRP HA H 1 5.567 . . 1 . . . . . . . . 4308 1 588 . 1 1 73 73 TRP HB2 H 1 3.140 . . 1 . . . . . . . . 4308 1 589 . 1 1 73 73 TRP HB3 H 1 2.334 . . 1 . . . . . . . . 4308 1 590 . 1 1 73 73 TRP HD1 H 1 6.340 . . 1 . . . . . . . . 4308 1 591 . 1 1 73 73 TRP HE1 H 1 11.244 . . 1 . . . . . . . . 4308 1 592 . 1 1 73 73 TRP HE3 H 1 7.409 . . 1 . . . . . . . . 4308 1 593 . 1 1 73 73 TRP HZ2 H 1 7.545 . . 1 . . . . . . . . 4308 1 594 . 1 1 73 73 TRP HZ3 H 1 7.207 . . 1 . . . . . . . . 4308 1 595 . 1 1 73 73 TRP HH2 H 1 7.297 . . 1 . . . . . . . . 4308 1 596 . 1 1 73 73 TRP N N 15 114.516 . . 1 . . . . . . . . 4308 1 597 . 1 1 73 73 TRP NE1 N 15 130.797 . . 1 . . . . . . . . 4308 1 598 . 1 1 74 74 ALA H H 1 9.511 . . 1 . . . . . . . . 4308 1 599 . 1 1 74 74 ALA HA H 1 6.351 . . 1 . . . . . . . . 4308 1 600 . 1 1 74 74 ALA HB1 H 1 1.862 . . 1 . . . . . . . . 4308 1 601 . 1 1 74 74 ALA HB2 H 1 1.862 . . 1 . . . . . . . . 4308 1 602 . 1 1 74 74 ALA HB3 H 1 1.862 . . 1 . . . . . . . . 4308 1 603 . 1 1 74 74 ALA N N 15 119.627 . . 1 . . . . . . . . 4308 1 604 . 1 1 75 75 ARG H H 1 9.111 . . 1 . . . . . . . . 4308 1 605 . 1 1 75 75 ARG HA H 1 4.693 . . 1 . . . . . . . . 4308 1 606 . 1 1 75 75 ARG HB2 H 1 1.509 . . 1 . . . . . . . . 4308 1 607 . 1 1 75 75 ARG HB3 H 1 1.509 . . 1 . . . . . . . . 4308 1 608 . 1 1 75 75 ARG HG2 H 1 0.511 . . 1 . . . . . . . . 4308 1 609 . 1 1 75 75 ARG HG3 H 1 0.484 . . 1 . . . . . . . . 4308 1 610 . 1 1 75 75 ARG HD2 H 1 0.511 . . 1 . . . . . . . . 4308 1 611 . 1 1 75 75 ARG HD3 H 1 0.484 . . 1 . . . . . . . . 4308 1 612 . 1 1 75 75 ARG HE H 1 3.950 . . 1 . . . . . . . . 4308 1 613 . 1 1 75 75 ARG N N 15 114.041 . . 1 . . . . . . . . 4308 1 614 . 1 1 75 75 ARG NE N 15 108.950 . . 1 . . . . . . . . 4308 1 615 . 1 1 76 76 VAL H H 1 8.762 . . 1 . . . . . . . . 4308 1 616 . 1 1 76 76 VAL HA H 1 5.976 . . 1 . . . . . . . . 4308 1 617 . 1 1 76 76 VAL HB H 1 1.670 . . 1 . . . . . . . . 4308 1 618 . 1 1 76 76 VAL HG11 H 1 0.727 . . 2 . . . . . . . . 4308 1 619 . 1 1 76 76 VAL HG12 H 1 0.727 . . 2 . . . . . . . . 4308 1 620 . 1 1 76 76 VAL HG13 H 1 0.727 . . 2 . . . . . . . . 4308 1 621 . 1 1 76 76 VAL HG21 H 1 0.413 . . 2 . . . . . . . . 4308 1 622 . 1 1 76 76 VAL HG22 H 1 0.413 . . 2 . . . . . . . . 4308 1 623 . 1 1 76 76 VAL HG23 H 1 0.413 . . 2 . . . . . . . . 4308 1 624 . 1 1 76 76 VAL N N 15 117.624 . . 1 . . . . . . . . 4308 1 625 . 1 1 77 77 ARG H H 1 8.871 . . 1 . . . . . . . . 4308 1 626 . 1 1 77 77 ARG HA H 1 4.624 . . 1 . . . . . . . . 4308 1 627 . 1 1 77 77 ARG HB2 H 1 1.671 . . 1 . . . . . . . . 4308 1 628 . 1 1 77 77 ARG HB3 H 1 1.671 . . 1 . . . . . . . . 4308 1 629 . 1 1 77 77 ARG HG2 H 1 1.294 . . 1 . . . . . . . . 4308 1 630 . 1 1 77 77 ARG HG3 H 1 1.294 . . 1 . . . . . . . . 4308 1 631 . 1 1 77 77 ARG HD2 H 1 2.931 . . 1 . . . . . . . . 4308 1 632 . 1 1 77 77 ARG HD3 H 1 2.931 . . 1 . . . . . . . . 4308 1 633 . 1 1 77 77 ARG HE H 1 2.278 . . 1 . . . . . . . . 4308 1 634 . 1 1 77 77 ARG N N 15 123.578 . . 1 . . . . . . . . 4308 1 635 . 1 1 77 77 ARG NE N 15 107.500 . . 1 . . . . . . . . 4308 1 636 . 1 1 78 78 VAL H H 1 8.722 . . 1 . . . . . . . . 4308 1 637 . 1 1 78 78 VAL HA H 1 5.664 . . 1 . . . . . . . . 4308 1 638 . 1 1 78 78 VAL HB H 1 1.765 . . 1 . . . . . . . . 4308 1 639 . 1 1 78 78 VAL HG11 H 1 1.016 . . 2 . . . . . . . . 4308 1 640 . 1 1 78 78 VAL HG12 H 1 1.016 . . 2 . . . . . . . . 4308 1 641 . 1 1 78 78 VAL HG13 H 1 1.016 . . 2 . . . . . . . . 4308 1 642 . 1 1 78 78 VAL HG21 H 1 0.285 . . 2 . . . . . . . . 4308 1 643 . 1 1 78 78 VAL HG22 H 1 0.285 . . 2 . . . . . . . . 4308 1 644 . 1 1 78 78 VAL HG23 H 1 0.285 . . 2 . . . . . . . . 4308 1 645 . 1 1 78 78 VAL N N 15 118.151 . . 1 . . . . . . . . 4308 1 646 . 1 1 79 79 ARG H H 1 8.693 . . 1 . . . . . . . . 4308 1 647 . 1 1 79 79 ARG HA H 1 4.795 . . 1 . . . . . . . . 4308 1 648 . 1 1 79 79 ARG HB2 H 1 2.406 . . 1 . . . . . . . . 4308 1 649 . 1 1 79 79 ARG HB3 H 1 1.787 . . 1 . . . . . . . . 4308 1 650 . 1 1 79 79 ARG HG2 H 1 2.135 . . 1 . . . . . . . . 4308 1 651 . 1 1 79 79 ARG HG3 H 1 2.003 . . 1 . . . . . . . . 4308 1 652 . 1 1 79 79 ARG HD2 H 1 3.997 . . 1 . . . . . . . . 4308 1 653 . 1 1 79 79 ARG HD3 H 1 3.674 . . 1 . . . . . . . . 4308 1 654 . 1 1 79 79 ARG N N 15 125.001 . . 1 . . . . . . . . 4308 1 655 . 1 1 80 80 THR H H 1 8.603 . . 1 . . . . . . . . 4308 1 656 . 1 1 80 80 THR HA H 1 4.830 . . 1 . . . . . . . . 4308 1 657 . 1 1 80 80 THR HB H 1 4.082 . . 1 . . . . . . . . 4308 1 658 . 1 1 80 80 THR HG21 H 1 1.075 . . 1 . . . . . . . . 4308 1 659 . 1 1 80 80 THR HG22 H 1 1.075 . . 1 . . . . . . . . 4308 1 660 . 1 1 80 80 THR HG23 H 1 1.075 . . 1 . . . . . . . . 4308 1 661 . 1 1 80 80 THR N N 15 114.832 . . 1 . . . . . . . . 4308 1 662 . 1 1 81 81 SER H H 1 8.273 . . 1 . . . . . . . . 4308 1 663 . 1 1 81 81 SER HA H 1 4.696 . . 1 . . . . . . . . 4308 1 664 . 1 1 81 81 SER HB2 H 1 3.724 . . 1 . . . . . . . . 4308 1 665 . 1 1 81 81 SER HB3 H 1 3.652 . . 1 . . . . . . . . 4308 1 666 . 1 1 81 81 SER N N 15 117.256 . . 1 . . . . . . . . 4308 1 667 . 1 1 82 82 ARG H H 1 8.420 . . 1 . . . . . . . . 4308 1 668 . 1 1 82 82 ARG HA H 1 4.564 . . 1 . . . . . . . . 4308 1 669 . 1 1 82 82 ARG HB2 H 1 1.898 . . 1 . . . . . . . . 4308 1 670 . 1 1 82 82 ARG HB3 H 1 1.813 . . 1 . . . . . . . . 4308 1 671 . 1 1 82 82 ARG HG2 H 1 1.659 . . 1 . . . . . . . . 4308 1 672 . 1 1 82 82 ARG HG3 H 1 1.659 . . 1 . . . . . . . . 4308 1 673 . 1 1 82 82 ARG HD2 H 1 3.104 . . 1 . . . . . . . . 4308 1 674 . 1 1 82 82 ARG HD3 H 1 3.104 . . 1 . . . . . . . . 4308 1 675 . 1 1 82 82 ARG N N 15 121.576 . . 1 . . . . . . . . 4308 1 676 . 1 1 83 83 THR H H 1 8.629 . . 1 . . . . . . . . 4308 1 677 . 1 1 83 83 THR HA H 1 4.125 . . 1 . . . . . . . . 4308 1 678 . 1 1 83 83 THR HB H 1 4.036 . . 1 . . . . . . . . 4308 1 679 . 1 1 83 83 THR HG21 H 1 1.248 . . 1 . . . . . . . . 4308 1 680 . 1 1 83 83 THR HG22 H 1 1.248 . . 1 . . . . . . . . 4308 1 681 . 1 1 83 83 THR HG23 H 1 1.248 . . 1 . . . . . . . . 4308 1 682 . 1 1 83 83 THR N N 15 118.836 . . 1 . . . . . . . . 4308 1 683 . 1 1 84 84 GLY H H 1 8.782 . . 1 . . . . . . . . 4308 1 684 . 1 1 84 84 GLY HA2 H 1 3.674 . . 1 . . . . . . . . 4308 1 685 . 1 1 84 84 GLY N N 15 113.409 . . 1 . . . . . . . . 4308 1 686 . 1 1 85 85 TYR H H 1 8.148 . . 1 . . . . . . . . 4308 1 687 . 1 1 85 85 TYR HA H 1 4.600 . . 1 . . . . . . . . 4308 1 688 . 1 1 85 85 TYR HB2 H 1 2.875 . . 1 . . . . . . . . 4308 1 689 . 1 1 85 85 TYR HB3 H 1 2.823 . . 1 . . . . . . . . 4308 1 690 . 1 1 85 85 TYR HD1 H 1 7.015 . . 1 . . . . . . . . 4308 1 691 . 1 1 85 85 TYR HD2 H 1 7.015 . . 1 . . . . . . . . 4308 1 692 . 1 1 85 85 TYR HE1 H 1 6.771 . . 1 . . . . . . . . 4308 1 693 . 1 1 85 85 TYR HE2 H 1 6.771 . . 1 . . . . . . . . 4308 1 694 . 1 1 85 85 TYR N N 15 120.312 . . 1 . . . . . . . . 4308 1 695 . 1 1 86 86 ASN HB2 H 1 2.847 . . 1 . . . . . . . . 4308 1 696 . 1 1 86 86 ASN HB3 H 1 2.580 . . 1 . . . . . . . . 4308 1 697 . 1 1 86 86 ASN HD21 H 1 7.546 . . 1 . . . . . . . . 4308 1 698 . 1 1 86 86 ASN HD22 H 1 6.911 . . 1 . . . . . . . . 4308 1 699 . 1 1 86 86 ASN ND2 N 15 113.462 . . 1 . . . . . . . . 4308 1 700 . 1 1 87 87 GLY H H 1 8.121 . . 1 . . . . . . . . 4308 1 701 . 1 1 87 87 GLY HA2 H 1 3.764 . . 1 . . . . . . . . 4308 1 702 . 1 1 87 87 GLY N N 15 109.365 . . 1 . . . . . . . . 4308 1 703 . 1 1 88 88 ILE H H 1 7.850 . . 1 . . . . . . . . 4308 1 704 . 1 1 88 88 ILE HA H 1 4.165 . . 1 . . . . . . . . 4308 1 705 . 1 1 88 88 ILE HB H 1 1.792 . . 1 . . . . . . . . 4308 1 706 . 1 1 88 88 ILE HG12 H 1 0.949 . . 1 . . . . . . . . 4308 1 707 . 1 1 88 88 ILE HG13 H 1 0.850 . . 1 . . . . . . . . 4308 1 708 . 1 1 88 88 ILE HG21 H 1 0.505 . . 4 . . . . . . . . 4308 1 709 . 1 1 88 88 ILE HG22 H 1 0.505 . . 4 . . . . . . . . 4308 1 710 . 1 1 88 88 ILE HG23 H 1 0.505 . . 4 . . . . . . . . 4308 1 711 . 1 1 88 88 ILE HD11 H 1 -0.086 . . 4 . . . . . . . . 4308 1 712 . 1 1 88 88 ILE HD12 H 1 -0.086 . . 4 . . . . . . . . 4308 1 713 . 1 1 88 88 ILE HD13 H 1 -0.086 . . 4 . . . . . . . . 4308 1 714 . 1 1 88 88 ILE N N 15 118.625 . . 1 . . . . . . . . 4308 1 715 . 1 1 89 89 TRP H H 1 8.168 . . 1 . . . . . . . . 4308 1 716 . 1 1 89 89 TRP HA H 1 4.447 . . 1 . . . . . . . . 4308 1 717 . 1 1 89 89 TRP HB2 H 1 3.155 . . 1 . . . . . . . . 4308 1 718 . 1 1 89 89 TRP HB3 H 1 2.762 . . 1 . . . . . . . . 4308 1 719 . 1 1 89 89 TRP HD1 H 1 7.184 . . 1 . . . . . . . . 4308 1 720 . 1 1 89 89 TRP HE1 H 1 9.958 . . 1 . . . . . . . . 4308 1 721 . 1 1 89 89 TRP HE3 H 1 6.929 . . 1 . . . . . . . . 4308 1 722 . 1 1 89 89 TRP HZ2 H 1 7.272 . . 1 . . . . . . . . 4308 1 723 . 1 1 89 89 TRP HZ3 H 1 6.811 . . 1 . . . . . . . . 4308 1 724 . 1 1 89 89 TRP HH2 H 1 6.765 . . 1 . . . . . . . . 4308 1 725 . 1 1 89 89 TRP N N 15 125.001 . . 1 . . . . . . . . 4308 1 726 . 1 1 89 89 TRP NE1 N 15 129.479 . . 1 . . . . . . . . 4308 1 727 . 1 1 90 90 SER H H 1 9.282 . . 1 . . . . . . . . 4308 1 728 . 1 1 90 90 SER HA H 1 4.484 . . 1 . . . . . . . . 4308 1 729 . 1 1 90 90 SER HB2 H 1 4.032 . . 1 . . . . . . . . 4308 1 730 . 1 1 90 90 SER HB3 H 1 4.032 . . 1 . . . . . . . . 4308 1 731 . 1 1 90 90 SER N N 15 117.414 . . 1 . . . . . . . . 4308 1 732 . 1 1 91 91 GLU H H 1 9.066 . . 1 . . . . . . . . 4308 1 733 . 1 1 91 91 GLU HA H 1 4.137 . . 1 . . . . . . . . 4308 1 734 . 1 1 91 91 GLU HB2 H 1 2.269 . . 1 . . . . . . . . 4308 1 735 . 1 1 91 91 GLU HB3 H 1 1.885 . . 1 . . . . . . . . 4308 1 736 . 1 1 91 91 GLU HG2 H 1 2.412 . . 1 . . . . . . . . 4308 1 737 . 1 1 91 91 GLU HG3 H 1 2.612 . . 1 . . . . . . . . 4308 1 738 . 1 1 91 91 GLU N N 15 118.731 . . 1 . . . . . . . . 4308 1 739 . 1 1 92 92 TRP H H 1 8.476 . . 1 . . . . . . . . 4308 1 740 . 1 1 92 92 TRP HA H 1 4.374 . . 1 . . . . . . . . 4308 1 741 . 1 1 92 92 TRP HB2 H 1 3.148 . . 1 . . . . . . . . 4308 1 742 . 1 1 92 92 TRP HB3 H 1 2.908 . . 1 . . . . . . . . 4308 1 743 . 1 1 92 92 TRP HD1 H 1 7.134 . . 1 . . . . . . . . 4308 1 744 . 1 1 92 92 TRP HE1 H 1 9.847 . . 1 . . . . . . . . 4308 1 745 . 1 1 92 92 TRP HE3 H 1 6.771 . . 1 . . . . . . . . 4308 1 746 . 1 1 92 92 TRP HZ2 H 1 6.910 . . 1 . . . . . . . . 4308 1 747 . 1 1 92 92 TRP HZ3 H 1 6.755 . . 1 . . . . . . . . 4308 1 748 . 1 1 92 92 TRP HH2 H 1 6.556 . . 1 . . . . . . . . 4308 1 749 . 1 1 92 92 TRP N N 15 122.366 . . 1 . . . . . . . . 4308 1 750 . 1 1 92 92 TRP NE1 N 15 128.953 . . 1 . . . . . . . . 4308 1 751 . 1 1 93 93 SER H H 1 9.394 . . 1 . . . . . . . . 4308 1 752 . 1 1 93 93 SER HA H 1 4.391 . . 1 . . . . . . . . 4308 1 753 . 1 1 93 93 SER HB2 H 1 4.185 . . 1 . . . . . . . . 4308 1 754 . 1 1 93 93 SER HB3 H 1 4.161 . . 1 . . . . . . . . 4308 1 755 . 1 1 93 93 SER N N 15 115.886 . . 1 . . . . . . . . 4308 1 756 . 1 1 94 94 GLU H H 1 8.694 . . 1 . . . . . . . . 4308 1 757 . 1 1 94 94 GLU HA H 1 4.290 . . 1 . . . . . . . . 4308 1 758 . 1 1 94 94 GLU HB2 H 1 2.173 . . 1 . . . . . . . . 4308 1 759 . 1 1 94 94 GLU HB3 H 1 2.173 . . 1 . . . . . . . . 4308 1 760 . 1 1 94 94 GLU HG2 H 1 2.571 . . 1 . . . . . . . . 4308 1 761 . 1 1 94 94 GLU HG3 H 1 2.571 . . 1 . . . . . . . . 4308 1 762 . 1 1 94 94 GLU N N 15 121.313 . . 1 . . . . . . . . 4308 1 763 . 1 1 95 95 ALA H H 1 8.980 . . 1 . . . . . . . . 4308 1 764 . 1 1 95 95 ALA HA H 1 5.202 . . 1 . . . . . . . . 4308 1 765 . 1 1 95 95 ALA HB1 H 1 1.833 . . 1 . . . . . . . . 4308 1 766 . 1 1 95 95 ALA HB2 H 1 1.833 . . 1 . . . . . . . . 4308 1 767 . 1 1 95 95 ALA HB3 H 1 1.833 . . 1 . . . . . . . . 4308 1 768 . 1 1 95 95 ALA N N 15 130.902 . . 1 . . . . . . . . 4308 1 769 . 1 1 96 96 ARG H H 1 9.091 . . 1 . . . . . . . . 4308 1 770 . 1 1 96 96 ARG HA H 1 5.120 . . 1 . . . . . . . . 4308 1 771 . 1 1 96 96 ARG HB2 H 1 2.089 . . 1 . . . . . . . . 4308 1 772 . 1 1 96 96 ARG HB3 H 1 1.891 . . 1 . . . . . . . . 4308 1 773 . 1 1 96 96 ARG HG2 H 1 1.824 . . 1 . . . . . . . . 4308 1 774 . 1 1 96 96 ARG HG3 H 1 1.824 . . 1 . . . . . . . . 4308 1 775 . 1 1 96 96 ARG HD2 H 1 3.613 . . 1 . . . . . . . . 4308 1 776 . 1 1 96 96 ARG HD3 H 1 3.492 . . 1 . . . . . . . . 4308 1 777 . 1 1 96 96 ARG HE H 1 7.333 . . 1 . . . . . . . . 4308 1 778 . 1 1 96 96 ARG N N 15 121.945 . . 1 . . . . . . . . 4308 1 779 . 1 1 96 96 ARG NE N 15 111.407 . . 1 . . . . . . . . 4308 1 780 . 1 1 97 97 SER H H 1 8.462 . . 1 . . . . . . . . 4308 1 781 . 1 1 97 97 SER HA H 1 5.555 . . 1 . . . . . . . . 4308 1 782 . 1 1 97 97 SER HB2 H 1 2.345 . . 1 . . . . . . . . 4308 1 783 . 1 1 97 97 SER HB3 H 1 1.257 . . 1 . . . . . . . . 4308 1 784 . 1 1 97 97 SER N N 15 117.308 . . 1 . . . . . . . . 4308 1 785 . 1 1 98 98 TRP H H 1 8.493 . . 1 . . . . . . . . 4308 1 786 . 1 1 98 98 TRP HA H 1 4.709 . . 1 . . . . . . . . 4308 1 787 . 1 1 98 98 TRP HB2 H 1 3.290 . . 1 . . . . . . . . 4308 1 788 . 1 1 98 98 TRP HB3 H 1 3.022 . . 1 . . . . . . . . 4308 1 789 . 1 1 98 98 TRP HD1 H 1 6.081 . . 1 . . . . . . . . 4308 1 790 . 1 1 98 98 TRP HE1 H 1 6.372 . . 1 . . . . . . . . 4308 1 791 . 1 1 98 98 TRP HE3 H 1 7.121 . . 1 . . . . . . . . 4308 1 792 . 1 1 98 98 TRP HZ2 H 1 6.585 . . 1 . . . . . . . . 4308 1 793 . 1 1 98 98 TRP HZ3 H 1 6.881 . . 1 . . . . . . . . 4308 1 794 . 1 1 98 98 TRP HH2 H 1 6.396 . . 1 . . . . . . . . 4308 1 795 . 1 1 98 98 TRP N N 15 120.891 . . 1 . . . . . . . . 4308 1 796 . 1 1 98 98 TRP NE1 N 15 120.628 . . 1 . . . . . . . . 4308 1 797 . 1 1 99 99 ASP H H 1 8.347 . . 1 . . . . . . . . 4308 1 798 . 1 1 99 99 ASP HA H 1 5.442 . . 1 . . . . . . . . 4308 1 799 . 1 1 99 99 ASP HB2 H 1 2.488 . . 1 . . . . . . . . 4308 1 800 . 1 1 99 99 ASP HB3 H 1 2.439 . . 1 . . . . . . . . 4308 1 801 . 1 1 99 99 ASP N N 15 119.310 . . 1 . . . . . . . . 4308 1 802 . 1 1 100 100 THR H H 1 9.180 . . 1 . . . . . . . . 4308 1 803 . 1 1 100 100 THR HA H 1 4.620 . . 1 . . . . . . . . 4308 1 804 . 1 1 100 100 THR HB H 1 4.792 . . 1 . . . . . . . . 4308 1 805 . 1 1 100 100 THR HG1 H 1 6.463 . . 5 . . . . . . . . 4308 1 806 . 1 1 100 100 THR HG21 H 1 1.211 . . 1 . . . . . . . . 4308 1 807 . 1 1 100 100 THR HG22 H 1 1.211 . . 1 . . . . . . . . 4308 1 808 . 1 1 100 100 THR HG23 H 1 1.211 . . 1 . . . . . . . . 4308 1 809 . 1 1 100 100 THR N N 15 114.990 . . 1 . . . . . . . . 4308 1 810 . 1 1 101 101 GLU H H 1 8.237 . . 1 . . . . . . . . 4308 1 811 . 1 1 101 101 GLU HA H 1 4.467 . . 1 . . . . . . . . 4308 1 812 . 1 1 101 101 GLU HB2 H 1 2.111 . . 1 . . . . . . . . 4308 1 813 . 1 1 101 101 GLU HB3 H 1 2.111 . . 1 . . . . . . . . 4308 1 814 . 1 1 101 101 GLU HG2 H 1 2.530 . . 1 . . . . . . . . 4308 1 815 . 1 1 101 101 GLU HG3 H 1 2.530 . . 1 . . . . . . . . 4308 1 816 . 1 1 101 101 GLU N N 15 119.732 . . 1 . . . . . . . . 4308 1 817 . 1 1 102 102 SER H H 1 8.285 . . 1 . . . . . . . . 4308 1 818 . 1 1 102 102 SER HA H 1 4.411 . . 1 . . . . . . . . 4308 1 819 . 1 1 102 102 SER HB2 H 1 3.925 . . 1 . . . . . . . . 4308 1 820 . 1 1 102 102 SER HB3 H 1 3.925 . . 1 . . . . . . . . 4308 1 821 . 1 1 102 102 SER N N 15 122.314 . . 1 . . . . . . . . 4308 1 stop_ save_