data_17783 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17783 _Entry.Title ; Solution Structure of the SPOR domain from E. coli DamX ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-07-15 _Entry.Accession_date 2011-07-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Kyle Williams . B. . 17783 2 S.J. Arends . Ryan . 17783 3 David Popham . L. . 17783 4 C. Fowler . Andrew . 17783 5 David Weiss . S. . 17783 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17783 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cell division' . 17783 DamX . 17783 'peptidoglycan binding protein' . 17783 protein . 17783 'RNP domain' . 17783 'SPOR domain' . 17783 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17783 heteronucl_NOEs 1 17783 heteronucl_T1_relaxation 1 17783 heteronucl_T2_relaxation 1 17783 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 458 17783 '15N chemical shifts' 114 17783 '1H chemical shifts' 994 17783 'heteronuclear NOE values' 94 17783 'T1 relaxation values' 94 17783 'T2 relaxation values' 94 17783 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 2 . . 2013-01-30 2011-07-15 update BMRB 'update entry citation' 17783 1 . . 2012-07-17 2011-07-15 original author 'original release' 17783 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17783 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23290046 _Citation.Full_citation . _Citation.Title 'Nuclear Magnetic Resonance Solution Structure of the Peptidoglycan-Binding SPOR Domain from Escherichia coli DamX: Insights into Septal Localization' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 52 _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 627 _Citation.Page_last 639 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kyle Williams . B. . 17783 1 2 Atsushi Yahashiri . . . 17783 1 3 S.J. Arends . Ryan . 17783 1 4 David Popham . L. . 17783 1 5 C. Fowler . Andrew . 17783 1 6 David Weiss . S. . 17783 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17783 _Assembly.ID 1 _Assembly.Name 'DamX SPOR domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11876 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'DamX SPOR domain' 1 $DamX_SPOR_domain_polypeptide A . yes native no no . . . 17783 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 yes PDB 2lfv . . 'solution NMR' . same . 17783 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DamX_SPOR_domain_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode DamX_SPOR_domain_polypeptide _Entity.Entry_ID 17783 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DamX_SPOR_domain_polypeptide _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRGSHHHHHHGSNNNGSLKS APSSHYTLQLSSSSNYDNLN GWAKKENLKNYVVYETTRNG QPWYVLVSGVYASKEEAKKA VSTLPADVQAKNPWAKPLRQ VQADLK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; first residue number is 323 residues 323-337 constitute an added affinity tag and linker the actual SPOR domain starts at residue 344 ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'SPOR domain of E. coli DamX' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11876.272 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2LFV . "Solution Structure Of The Spor Domain From E. Coli Damx" . . . . . 100.00 106 100.00 100.00 7.61e-70 . . . . 17783 1 2 no DBJ BAB37653 . "putative membrane protein DamX [Escherichia coli O157:H7 str. Sakai]" . . . . . 87.74 428 98.92 98.92 1.27e-57 . . . . 17783 1 3 no DBJ BAE77903 . "hypothetical protein [Escherichia coli str. K12 substr. W3110]" . . . . . 87.74 428 98.92 98.92 1.13e-57 . . . . 17783 1 4 no DBJ BAG79173 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 87.74 428 98.92 98.92 1.06e-57 . . . . 17783 1 5 no DBJ BAI27646 . "conserved predicted protein [Escherichia coli O26:H11 str. 11368]" . . . . . 87.74 428 98.92 98.92 1.64e-57 . . . . 17783 1 6 no DBJ BAI32816 . "conserved predicted protein [Escherichia coli O103:H2 str. 12009]" . . . . . 87.74 428 97.85 97.85 2.54e-56 . . . . 17783 1 7 no EMBL CAA33253 . "urf-74.3 protein (AA 1-427) [Escherichia coli K-12]" . . . . . 87.74 427 97.85 97.85 3.72e-56 . . . . 17783 1 8 no EMBL CAP77835 . "Protein damX [Escherichia coli LF82]" . . . . . 87.74 428 98.92 98.92 1.40e-57 . . . . 17783 1 9 no EMBL CAQ33709 . "cell division protein DamX [Escherichia coli BL21(DE3)]" . . . . . 87.74 428 98.92 98.92 1.64e-57 . . . . 17783 1 10 no EMBL CAR00327 . "conserved hypothetical protein [Escherichia coli IAI1]" . . . . . 87.74 428 98.92 98.92 2.00e-57 . . . . 17783 1 11 no EMBL CAR04988 . "conserved hypothetical protein [Escherichia coli S88]" . . . . . 87.74 428 98.92 98.92 1.40e-57 . . . . 17783 1 12 no GB AAA58185 . "damX [Escherichia coli str. K-12 substr. MG1655]" . . . . . 87.74 428 98.92 98.92 1.13e-57 . . . . 17783 1 13 no GB AAC76413 . "cell division protein that binds to the septal ring [Escherichia coli str. K-12 substr. MG1655]" . . . . . 87.74 428 98.92 98.92 1.13e-57 . . . . 17783 1 14 no GB AAG58488 . "putative membrane protein; interferes with cell division [Escherichia coli O157:H7 str. EDL933]" . . . . . 87.74 428 98.92 98.92 1.27e-57 . . . . 17783 1 15 no GB AAN44868 . "putative membrane protein [Shigella flexneri 2a str. 301]" . . . . . 87.74 430 98.92 98.92 1.38e-57 . . . . 17783 1 16 no GB AAN82596 . "DamX protein [Escherichia coli CFT073]" . . . . . 87.74 428 98.92 98.92 1.13e-57 . . . . 17783 1 17 no REF NP_312257 . "hypothetical protein ECs4230 [Escherichia coli O157:H7 str. Sakai]" . . . . . 87.74 428 98.92 98.92 1.27e-57 . . . . 17783 1 18 no REF NP_417847 . "cell division protein that binds to the septal ring [Escherichia coli str. K-12 substr. MG1655]" . . . . . 87.74 428 98.92 98.92 1.13e-57 . . . . 17783 1 19 no REF NP_709161 . "cell division protein DamX [Shigella flexneri 2a str. 301]" . . . . . 87.74 430 98.92 98.92 1.38e-57 . . . . 17783 1 20 no REF WP_000343127 . "MULTISPECIES: cell division protein DamX [Escherichia]" . . . . . 87.74 432 98.92 98.92 1.94e-57 . . . . 17783 1 21 no REF WP_000343163 . "cell division protein DamX [Escherichia coli]" . . . . . 87.74 425 98.92 98.92 9.40e-58 . . . . 17783 1 22 no SP P11557 . "RecName: Full=Cell division protein DamX" . . . . . 87.74 428 98.92 98.92 1.13e-57 . . . . 17783 1 23 no SP Q8X826 . "RecName: Full=Cell division protein DamX" . . . . . 87.74 428 98.92 98.92 1.27e-57 . . . . 17783 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 1 323 MET . 17783 1 2 324 ARG . 17783 1 3 325 GLY . 17783 1 4 326 SER . 17783 1 5 327 HIS . 17783 1 6 328 HIS . 17783 1 7 329 HIS . 17783 1 8 330 HIS . 17783 1 9 331 HIS . 17783 1 10 332 HIS . 17783 1 11 333 GLY . 17783 1 12 334 SER . 17783 1 13 335 ASN . 17783 1 14 336 ASN . 17783 1 15 337 ASN . 17783 1 16 338 GLY . 17783 1 17 339 SER . 17783 1 18 340 LEU . 17783 1 19 341 LYS . 17783 1 20 342 SER . 17783 1 21 343 ALA . 17783 1 22 344 PRO . 17783 1 23 345 SER . 17783 1 24 346 SER . 17783 1 25 347 HIS . 17783 1 26 348 TYR . 17783 1 27 349 THR . 17783 1 28 350 LEU . 17783 1 29 351 GLN . 17783 1 30 352 LEU . 17783 1 31 353 SER . 17783 1 32 354 SER . 17783 1 33 355 SER . 17783 1 34 356 SER . 17783 1 35 357 ASN . 17783 1 36 358 TYR . 17783 1 37 359 ASP . 17783 1 38 360 ASN . 17783 1 39 361 LEU . 17783 1 40 362 ASN . 17783 1 41 363 GLY . 17783 1 42 364 TRP . 17783 1 43 365 ALA . 17783 1 44 366 LYS . 17783 1 45 367 LYS . 17783 1 46 368 GLU . 17783 1 47 369 ASN . 17783 1 48 370 LEU . 17783 1 49 371 LYS . 17783 1 50 372 ASN . 17783 1 51 373 TYR . 17783 1 52 374 VAL . 17783 1 53 375 VAL . 17783 1 54 376 TYR . 17783 1 55 377 GLU . 17783 1 56 378 THR . 17783 1 57 379 THR . 17783 1 58 380 ARG . 17783 1 59 381 ASN . 17783 1 60 382 GLY . 17783 1 61 383 GLN . 17783 1 62 384 PRO . 17783 1 63 385 TRP . 17783 1 64 386 TYR . 17783 1 65 387 VAL . 17783 1 66 388 LEU . 17783 1 67 389 VAL . 17783 1 68 390 SER . 17783 1 69 391 GLY . 17783 1 70 392 VAL . 17783 1 71 393 TYR . 17783 1 72 394 ALA . 17783 1 73 395 SER . 17783 1 74 396 LYS . 17783 1 75 397 GLU . 17783 1 76 398 GLU . 17783 1 77 399 ALA . 17783 1 78 400 LYS . 17783 1 79 401 LYS . 17783 1 80 402 ALA . 17783 1 81 403 VAL . 17783 1 82 404 SER . 17783 1 83 405 THR . 17783 1 84 406 LEU . 17783 1 85 407 PRO . 17783 1 86 408 ALA . 17783 1 87 409 ASP . 17783 1 88 410 VAL . 17783 1 89 411 GLN . 17783 1 90 412 ALA . 17783 1 91 413 LYS . 17783 1 92 414 ASN . 17783 1 93 415 PRO . 17783 1 94 416 TRP . 17783 1 95 417 ALA . 17783 1 96 418 LYS . 17783 1 97 419 PRO . 17783 1 98 420 LEU . 17783 1 99 421 ARG . 17783 1 100 422 GLN . 17783 1 101 423 VAL . 17783 1 102 424 GLN . 17783 1 103 425 ALA . 17783 1 104 426 ASP . 17783 1 105 427 LEU . 17783 1 106 428 LYS . 17783 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 17783 1 . ARG 2 2 17783 1 . GLY 3 3 17783 1 . SER 4 4 17783 1 . HIS 5 5 17783 1 . HIS 6 6 17783 1 . HIS 7 7 17783 1 . HIS 8 8 17783 1 . HIS 9 9 17783 1 . HIS 10 10 17783 1 . GLY 11 11 17783 1 . SER 12 12 17783 1 . ASN 13 13 17783 1 . ASN 14 14 17783 1 . ASN 15 15 17783 1 . GLY 16 16 17783 1 . SER 17 17 17783 1 . LEU 18 18 17783 1 . LYS 19 19 17783 1 . SER 20 20 17783 1 . ALA 21 21 17783 1 . PRO 22 22 17783 1 . SER 23 23 17783 1 . SER 24 24 17783 1 . HIS 25 25 17783 1 . TYR 26 26 17783 1 . THR 27 27 17783 1 . LEU 28 28 17783 1 . GLN 29 29 17783 1 . LEU 30 30 17783 1 . SER 31 31 17783 1 . SER 32 32 17783 1 . SER 33 33 17783 1 . SER 34 34 17783 1 . ASN 35 35 17783 1 . TYR 36 36 17783 1 . ASP 37 37 17783 1 . ASN 38 38 17783 1 . LEU 39 39 17783 1 . ASN 40 40 17783 1 . GLY 41 41 17783 1 . TRP 42 42 17783 1 . ALA 43 43 17783 1 . LYS 44 44 17783 1 . LYS 45 45 17783 1 . GLU 46 46 17783 1 . ASN 47 47 17783 1 . LEU 48 48 17783 1 . LYS 49 49 17783 1 . ASN 50 50 17783 1 . TYR 51 51 17783 1 . VAL 52 52 17783 1 . VAL 53 53 17783 1 . TYR 54 54 17783 1 . GLU 55 55 17783 1 . THR 56 56 17783 1 . THR 57 57 17783 1 . ARG 58 58 17783 1 . ASN 59 59 17783 1 . GLY 60 60 17783 1 . GLN 61 61 17783 1 . PRO 62 62 17783 1 . TRP 63 63 17783 1 . TYR 64 64 17783 1 . VAL 65 65 17783 1 . LEU 66 66 17783 1 . VAL 67 67 17783 1 . SER 68 68 17783 1 . GLY 69 69 17783 1 . VAL 70 70 17783 1 . TYR 71 71 17783 1 . ALA 72 72 17783 1 . SER 73 73 17783 1 . LYS 74 74 17783 1 . GLU 75 75 17783 1 . GLU 76 76 17783 1 . ALA 77 77 17783 1 . LYS 78 78 17783 1 . LYS 79 79 17783 1 . ALA 80 80 17783 1 . VAL 81 81 17783 1 . SER 82 82 17783 1 . THR 83 83 17783 1 . LEU 84 84 17783 1 . PRO 85 85 17783 1 . ALA 86 86 17783 1 . ASP 87 87 17783 1 . VAL 88 88 17783 1 . GLN 89 89 17783 1 . ALA 90 90 17783 1 . LYS 91 91 17783 1 . ASN 92 92 17783 1 . PRO 93 93 17783 1 . TRP 94 94 17783 1 . ALA 95 95 17783 1 . LYS 96 96 17783 1 . PRO 97 97 17783 1 . LEU 98 98 17783 1 . ARG 99 99 17783 1 . GLN 100 100 17783 1 . VAL 101 101 17783 1 . GLN 102 102 17783 1 . ALA 103 103 17783 1 . ASP 104 104 17783 1 . LEU 105 105 17783 1 . LYS 106 106 17783 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 17783 _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 $DamX_SPOR_domain_polypeptide . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli 'K12 MG1655' . . . . . . . . . . . . . . . damX . . . . 17783 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 17783 _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 $DamX_SPOR_domain_polypeptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pQE80L . . . . . . 17783 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_DamX _Sample.Sf_category sample _Sample.Sf_framecode 15N_DamX _Sample.Entry_ID 17783 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DamX SPOR domain polypeptide' '[U-99% 15N]' . . 1 $DamX_SPOR_domain_polypeptide . . 0.7 . . mM . . . . 17783 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17783 1 3 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 17783 1 4 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17783 1 5 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17783 1 stop_ save_ save_13C-15N_DamX_in_D2O _Sample.Sf_category sample _Sample.Sf_framecode 13C-15N_DamX_in_D2O _Sample.Entry_ID 17783 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DamX SPOR domain polypeptide' '[U-99% 13C; U-99% 15N]' . . 1 $DamX_SPOR_domain_polypeptide . . 0.7 . . mM . . . . 17783 2 2 D2O '[U-99% 2H]' . . . . . . 100 . . % . . . . 17783 2 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17783 2 4 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17783 2 stop_ save_ save_13C-15N_DamX _Sample.Sf_category sample _Sample.Sf_framecode 13C-15N_DamX _Sample.Entry_ID 17783 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DamX SPOR domain polypeptide' '[U-99% 13C; U-99% 15N]' . . 1 $DamX_SPOR_domain_polypeptide . . 0.7 . . mM . . . . 17783 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17783 3 3 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 17783 3 4 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17783 3 5 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17783 3 stop_ save_ save_15N_DamX_aligned _Sample.Sf_category sample _Sample.Sf_framecode 15N_DamX_aligned _Sample.Entry_ID 17783 _Sample.ID 4 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DamX SPOR domain polypeptide' '[U-99% 15N]' . . 1 $DamX_SPOR_domain_polypeptide . . 0.7 . . mM . . . . 17783 4 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17783 4 3 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 17783 4 4 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17783 4 5 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17783 4 6 PEG(C12E5):n-hexanol 'natural abundance' . . . . . . 5 . . % . . . . 17783 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17783 _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 6.5 . pH 17783 1 pressure 1 . atm 17783 1 temperature 298 . K 17783 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17783 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17783 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 17783 1 processing 17783 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17783 _Software.ID 2 _Software.Name VNMRJ _Software.Version 2.1B _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17783 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17783 2 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 17783 _Software.ID 3 _Software.Name CCPN_Analysis _Software.Version 1.0.15 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17783 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17783 3 'data analysis' 17783 3 'peak picking' 17783 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17783 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17783 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17783 4 stop_ save_ save_Curvefit _Software.Sf_category software _Software.Sf_framecode Curvefit _Software.Entry_ID 17783 _Software.ID 5 _Software.Name CurveFit _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Palmer . . 17783 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17783 5 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17783 _Software.ID 6 _Software.Name 'X-PLOR NIH' _Software.Version 2.23 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17783 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17783 6 'structure solution' 17783 6 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 17783 _Software.ID 7 _Software.Name ProcheckNMR _Software.Version 3.5.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 17783 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure analysis' 17783 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17783 _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_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17783 _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 spectrometer_1 Varian INOVA . 600 . . . 17783 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 17783 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N_DamX isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 2 '2D 1H-13C HMQC' no . . . . . . . . . . 2 $13C-15N_DamX_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 3 '3D HNCA' no . . . . . . . . . . 3 $13C-15N_DamX isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 4 '3D HN(CO)CA' no . . . . . . . . . . 3 $13C-15N_DamX isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 5 '3D HNCACB' no . . . . . . . . . . 3 $13C-15N_DamX isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $13C-15N_DamX isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 7 '3D HNCO' no . . . . . . . . . . 3 $13C-15N_DamX isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 8 '3D HN(CA)CO' no . . . . . . . . . . 3 $13C-15N_DamX isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $15N_DamX isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N_DamX isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 11 '2D DQF-COSY' no . . . . . . . . . . 2 $13C-15N_DamX_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 12 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $13C-15N_DamX_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 13 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $13C-15N_DamX_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 14 '3D C(CO)NH' no . . . . . . . . . . 3 $13C-15N_DamX isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 15 '3D H(CCO)NH' no . . . . . . . . . . 3 $13C-15N_DamX isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 16 (HB)CB(CGCD)HE no . . . . . . . . . . 2 $13C-15N_DamX_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 17 (HB)CB(CGCDCE)HE no . . . . . . . . . . 2 $13C-15N_DamX_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 18 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $13C-15N_DamX_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 19 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $13C-15N_DamX isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 20 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $13C-15N_DamX_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 21 '2D 1H-15N IPAP HSQC' no . . . . . . . . . . 1 $15N_DamX isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 22 '2D 1H-15N IPAP HSQC' no . . . . . . . . . . 4 $15N_DamX_aligned bicelle . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 23 '2D 15N T1' no . . . . . . . . . . 1 $15N_DamX isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 24 '2D 15N T2' no . . . . . . . . . . 1 $15N_DamX isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 25 '2D {1H}-15N NOE' no . . . . . . . . . . 1 $15N_DamX isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17783 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17783 _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 C 13 water protons . . . . ppm 4.773 na indirect 0.25144953 . . . . . . . . . 17783 1 H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . . . . . 17783 1 N 15 water protons . . . . ppm 4.773 na indirect 0.101329118 . . . . . . . . . 17783 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17783 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 '2D 1H-15N HSQC' . . . 17783 1 2 '2D 1H-13C HMQC' . . . 17783 1 3 '3D HNCA' . . . 17783 1 4 '3D HN(CO)CA' . . . 17783 1 5 '3D HNCACB' . . . 17783 1 6 '3D CBCA(CO)NH' . . . 17783 1 7 '3D HNCO' . . . 17783 1 8 '3D HN(CA)CO' . . . 17783 1 9 '3D 1H-15N TOCSY' . . . 17783 1 14 '3D C(CO)NH' . . . 17783 1 15 '3D H(CCO)NH' . . . 17783 1 20 '3D HCCH-TOCSY' . . . 17783 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 H H 1 8.453 0.007 . 1 . . . A 323 MET H . 17783 1 2 . 1 1 1 1 MET HA H 1 4.494 0.009 . 1 . . . A 323 MET HA . 17783 1 3 . 1 1 1 1 MET HB2 H 1 2.076 0.029 . 2 . . . A 323 MET HB2 . 17783 1 4 . 1 1 1 1 MET HB3 H 1 2.057 0.032 . 2 . . . A 323 MET HB3 . 17783 1 5 . 1 1 1 1 MET HG2 H 1 2.558 0.017 . 2 . . . A 323 MET HG2 . 17783 1 6 . 1 1 1 1 MET HG3 H 1 2.506 0.024 . 2 . . . A 323 MET HG3 . 17783 1 7 . 1 1 1 1 MET C C 13 176.466 0.000 . 1 . . . A 323 MET C . 17783 1 8 . 1 1 1 1 MET CA C 13 55.366 0.068 . 1 . . . A 323 MET CA . 17783 1 9 . 1 1 1 1 MET CB C 13 32.484 0.052 . 1 . . . A 323 MET CB . 17783 1 10 . 1 1 1 1 MET CG C 13 32.113 0.077 . 1 . . . A 323 MET CG . 17783 1 11 . 1 1 1 1 MET N N 15 121.199 0.069 . 1 . . . A 323 MET N . 17783 1 12 . 1 1 2 2 ARG H H 1 8.373 0.005 . 1 . . . A 324 ARG H . 17783 1 13 . 1 1 2 2 ARG HA H 1 4.344 0.012 . 1 . . . A 324 ARG HA . 17783 1 14 . 1 1 2 2 ARG HB2 H 1 1.818 0.019 . 2 . . . A 324 ARG HB2 . 17783 1 15 . 1 1 2 2 ARG HB3 H 1 1.791 0.015 . 2 . . . A 324 ARG HB3 . 17783 1 16 . 1 1 2 2 ARG HG2 H 1 1.628 0.008 . 1 . . . A 324 ARG HG2 . 17783 1 17 . 1 1 2 2 ARG HG3 H 1 1.628 0.008 . 1 . . . A 324 ARG HG3 . 17783 1 18 . 1 1 2 2 ARG HD2 H 1 3.149 0.012 . 1 . . . A 324 ARG HD2 . 17783 1 19 . 1 1 2 2 ARG HD3 H 1 3.149 0.012 . 1 . . . A 324 ARG HD3 . 17783 1 20 . 1 1 2 2 ARG C C 13 176.887 0.000 . 1 . . . A 324 ARG C . 17783 1 21 . 1 1 2 2 ARG CA C 13 56.505 0.102 . 1 . . . A 324 ARG CA . 17783 1 22 . 1 1 2 2 ARG CB C 13 30.734 0.074 . 1 . . . A 324 ARG CB . 17783 1 23 . 1 1 2 2 ARG CG C 13 27.030 0.083 . 1 . . . A 324 ARG CG . 17783 1 24 . 1 1 2 2 ARG CD C 13 43.224 0.083 . 1 . . . A 324 ARG CD . 17783 1 25 . 1 1 2 2 ARG N N 15 121.883 0.032 . 1 . . . A 324 ARG N . 17783 1 26 . 1 1 3 3 GLY H H 1 8.683 0.004 . 1 . . . A 325 GLY H . 17783 1 27 . 1 1 3 3 GLY HA2 H 1 3.951 0.014 . 2 . . . A 325 GLY HA2 . 17783 1 28 . 1 1 3 3 GLY HA3 H 1 3.950 0.013 . 2 . . . A 325 GLY HA3 . 17783 1 29 . 1 1 3 3 GLY C C 13 174.037 0.000 . 1 . . . A 325 GLY C . 17783 1 30 . 1 1 3 3 GLY CA C 13 45.228 0.045 . 1 . . . A 325 GLY CA . 17783 1 31 . 1 1 3 3 GLY N N 15 111.231 0.030 . 1 . . . A 325 GLY N . 17783 1 32 . 1 1 4 4 SER H H 1 8.237 0.006 . 1 . . . A 326 SER H . 17783 1 33 . 1 1 4 4 SER HA H 1 4.377 0.013 . 1 . . . A 326 SER HA . 17783 1 34 . 1 1 4 4 SER HB2 H 1 3.754 0.014 . 1 . . . A 326 SER HB2 . 17783 1 35 . 1 1 4 4 SER HB3 H 1 3.754 0.014 . 1 . . . A 326 SER HB3 . 17783 1 36 . 1 1 4 4 SER C C 13 174.454 0.000 . 1 . . . A 326 SER C . 17783 1 37 . 1 1 4 4 SER CA C 13 58.315 0.032 . 1 . . . A 326 SER CA . 17783 1 38 . 1 1 4 4 SER CB C 13 63.902 0.041 . 1 . . . A 326 SER CB . 17783 1 39 . 1 1 4 4 SER N N 15 115.541 0.040 . 1 . . . A 326 SER N . 17783 1 40 . 1 1 5 5 HIS HD2 H 1 6.951 0.016 . 1 . . . A 327 HIS HD2 . 17783 1 41 . 1 1 5 5 HIS HE1 H 1 8.013 0.014 . 1 . . . A 327 HIS HE1 . 17783 1 42 . 1 1 5 5 HIS CD2 C 13 119.705 0.000 . 1 . . . A 327 HIS CD2 . 17783 1 43 . 1 1 6 6 HIS HD2 H 1 6.951 0.016 . 1 . . . A 328 HIS HD2 . 17783 1 44 . 1 1 6 6 HIS HE1 H 1 8.013 0.014 . 1 . . . A 328 HIS HE1 . 17783 1 45 . 1 1 6 6 HIS CD2 C 13 119.705 0.000 . 1 . . . A 328 HIS CD2 . 17783 1 46 . 1 1 7 7 HIS HD2 H 1 6.951 0.016 . 1 . . . A 329 HIS HD2 . 17783 1 47 . 1 1 7 7 HIS HE1 H 1 8.013 0.014 . 1 . . . A 329 HIS HE1 . 17783 1 48 . 1 1 7 7 HIS CD2 C 13 119.705 0.000 . 1 . . . A 329 HIS CD2 . 17783 1 49 . 1 1 8 8 HIS HD2 H 1 6.951 0.016 . 1 . . . A 330 HIS HD2 . 17783 1 50 . 1 1 8 8 HIS HE1 H 1 8.013 0.014 . 1 . . . A 330 HIS HE1 . 17783 1 51 . 1 1 8 8 HIS CD2 C 13 119.705 0.000 . 1 . . . A 330 HIS CD2 . 17783 1 52 . 1 1 9 9 HIS HD2 H 1 6.951 0.015 . 1 . . . A 331 HIS HD2 . 17783 1 53 . 1 1 9 9 HIS HE1 H 1 8.013 0.014 . 1 . . . A 331 HIS HE1 . 17783 1 54 . 1 1 9 9 HIS CD2 C 13 119.705 0.000 . 1 . . . A 331 HIS CD2 . 17783 1 55 . 1 1 10 10 HIS HA H 1 4.580 0.016 . 1 . . . A 332 HIS HA . 17783 1 56 . 1 1 10 10 HIS HB2 H 1 3.012 0.021 . 1 . . . A 332 HIS HB2 . 17783 1 57 . 1 1 10 10 HIS HB3 H 1 3.012 0.021 . 1 . . . A 332 HIS HB3 . 17783 1 58 . 1 1 10 10 HIS HD2 H 1 7.023 0.017 . 1 . . . A 332 HIS HD2 . 17783 1 59 . 1 1 10 10 HIS HE1 H 1 8.055 0.006 . 1 . . . A 332 HIS HE1 . 17783 1 60 . 1 1 10 10 HIS C C 13 175.292 0.008 . 1 . . . A 332 HIS C . 17783 1 61 . 1 1 10 10 HIS CA C 13 55.946 0.079 . 1 . . . A 332 HIS CA . 17783 1 62 . 1 1 10 10 HIS CB C 13 30.123 0.158 . 1 . . . A 332 HIS CB . 17783 1 63 . 1 1 10 10 HIS CD2 C 13 119.933 0.077 . 1 . . . A 332 HIS CD2 . 17783 1 64 . 1 1 10 10 HIS CE1 C 13 137.418 0.030 . 1 . . . A 332 HIS CE1 . 17783 1 65 . 1 1 11 11 GLY H H 1 8.540 0.014 . 1 . . . A 333 GLY H . 17783 1 66 . 1 1 11 11 GLY HA2 H 1 3.986 0.021 . 2 . . . A 333 GLY HA2 . 17783 1 67 . 1 1 11 11 GLY HA3 H 1 3.984 0.021 . 2 . . . A 333 GLY HA3 . 17783 1 68 . 1 1 11 11 GLY C C 13 174.126 0.004 . 1 . . . A 333 GLY C . 17783 1 69 . 1 1 11 11 GLY CA C 13 45.327 0.092 . 1 . . . A 333 GLY CA . 17783 1 70 . 1 1 11 11 GLY N N 15 110.527 0.038 . 1 . . . A 333 GLY N . 17783 1 71 . 1 1 12 12 SER H H 1 8.356 0.011 . 1 . . . A 334 SER H . 17783 1 72 . 1 1 12 12 SER HA H 1 4.436 0.010 . 1 . . . A 334 SER HA . 17783 1 73 . 1 1 12 12 SER HB2 H 1 3.868 0.017 . 2 . . . A 334 SER HB2 . 17783 1 74 . 1 1 12 12 SER HB3 H 1 3.844 0.020 . 2 . . . A 334 SER HB3 . 17783 1 75 . 1 1 12 12 SER C C 13 174.538 0.010 . 1 . . . A 334 SER C . 17783 1 76 . 1 1 12 12 SER CA C 13 58.486 0.083 . 1 . . . A 334 SER CA . 17783 1 77 . 1 1 12 12 SER CB C 13 63.927 0.093 . 1 . . . A 334 SER CB . 17783 1 78 . 1 1 12 12 SER N N 15 115.752 0.052 . 1 . . . A 334 SER N . 17783 1 79 . 1 1 13 13 ASN H H 1 8.575 0.003 . 1 . . . A 335 ASN H . 17783 1 80 . 1 1 13 13 ASN HA H 1 4.729 0.016 . 1 . . . A 335 ASN HA . 17783 1 81 . 1 1 13 13 ASN HB2 H 1 2.827 0.024 . 2 . . . A 335 ASN HB2 . 17783 1 82 . 1 1 13 13 ASN HB3 H 1 2.752 0.022 . 2 . . . A 335 ASN HB3 . 17783 1 83 . 1 1 13 13 ASN HD21 H 1 6.925 0.005 . 1 . . . A 335 ASN HD21 . 17783 1 84 . 1 1 13 13 ASN HD22 H 1 7.599 0.007 . 1 . . . A 335 ASN HD22 . 17783 1 85 . 1 1 13 13 ASN C C 13 175.116 0.024 . 1 . . . A 335 ASN C . 17783 1 86 . 1 1 13 13 ASN CA C 13 53.386 0.066 . 1 . . . A 335 ASN CA . 17783 1 87 . 1 1 13 13 ASN CB C 13 38.668 0.092 . 1 . . . A 335 ASN CB . 17783 1 88 . 1 1 13 13 ASN CG C 13 177.133 0.015 . 1 . . . A 335 ASN CG . 17783 1 89 . 1 1 13 13 ASN N N 15 120.410 0.025 . 1 . . . A 335 ASN N . 17783 1 90 . 1 1 13 13 ASN ND2 N 15 112.796 0.266 . 1 . . . A 335 ASN ND2 . 17783 1 91 . 1 1 14 14 ASN H H 1 8.447 0.008 . 1 . . . A 336 ASN H . 17783 1 92 . 1 1 14 14 ASN HA H 1 4.729 0.016 . 1 . . . A 336 ASN HA . 17783 1 93 . 1 1 14 14 ASN HB2 H 1 2.827 0.024 . 2 . . . A 336 ASN HB2 . 17783 1 94 . 1 1 14 14 ASN HB3 H 1 2.752 0.022 . 2 . . . A 336 ASN HB3 . 17783 1 95 . 1 1 14 14 ASN HD21 H 1 6.925 0.005 . 1 . . . A 336 ASN HD21 . 17783 1 96 . 1 1 14 14 ASN HD22 H 1 7.600 0.007 . 1 . . . A 336 ASN HD22 . 17783 1 97 . 1 1 14 14 ASN C C 13 175.395 0.011 . 1 . . . A 336 ASN C . 17783 1 98 . 1 1 14 14 ASN CA C 13 53.385 0.061 . 1 . . . A 336 ASN CA . 17783 1 99 . 1 1 14 14 ASN CB C 13 38.669 0.089 . 1 . . . A 336 ASN CB . 17783 1 100 . 1 1 14 14 ASN CG C 13 177.133 0.015 . 1 . . . A 336 ASN CG . 17783 1 101 . 1 1 14 14 ASN N N 15 119.094 0.127 . 1 . . . A 336 ASN N . 17783 1 102 . 1 1 14 14 ASN ND2 N 15 112.787 0.265 . 1 . . . A 336 ASN ND2 . 17783 1 103 . 1 1 15 15 ASN H H 1 8.446 0.007 . 1 . . . A 337 ASN H . 17783 1 104 . 1 1 15 15 ASN HA H 1 4.534 0.012 . 1 . . . A 337 ASN HA . 17783 1 105 . 1 1 15 15 ASN HB2 H 1 2.825 0.024 . 2 . . . A 337 ASN HB2 . 17783 1 106 . 1 1 15 15 ASN HB3 H 1 2.753 0.022 . 2 . . . A 337 ASN HB3 . 17783 1 107 . 1 1 15 15 ASN HD21 H 1 7.066 0.005 . 1 . . . A 337 ASN HD21 . 17783 1 108 . 1 1 15 15 ASN HD22 H 1 7.512 0.007 . 1 . . . A 337 ASN HD22 . 17783 1 109 . 1 1 15 15 ASN C C 13 176.390 0.003 . 1 . . . A 337 ASN C . 17783 1 110 . 1 1 15 15 ASN CA C 13 53.991 0.111 . 1 . . . A 337 ASN CA . 17783 1 111 . 1 1 15 15 ASN CB C 13 38.621 0.092 . 1 . . . A 337 ASN CB . 17783 1 112 . 1 1 15 15 ASN N N 15 118.915 0.076 . 1 . . . A 337 ASN N . 17783 1 113 . 1 1 15 15 ASN ND2 N 15 111.869 0.240 . 1 . . . A 337 ASN ND2 . 17783 1 114 . 1 1 16 16 GLY H H 1 8.454 0.006 . 1 . . . A 338 GLY H . 17783 1 115 . 1 1 16 16 GLY HA2 H 1 3.891 0.020 . 2 . . . A 338 GLY HA2 . 17783 1 116 . 1 1 16 16 GLY HA3 H 1 3.776 0.019 . 2 . . . A 338 GLY HA3 . 17783 1 117 . 1 1 16 16 GLY C C 13 175.459 0.018 . 1 . . . A 338 GLY C . 17783 1 118 . 1 1 16 16 GLY CA C 13 46.752 0.053 . 1 . . . A 338 GLY CA . 17783 1 119 . 1 1 16 16 GLY N N 15 108.851 0.048 . 1 . . . A 338 GLY N . 17783 1 120 . 1 1 17 17 SER H H 1 8.170 0.006 . 1 . . . A 339 SER H . 17783 1 121 . 1 1 17 17 SER HA H 1 4.229 0.014 . 1 . . . A 339 SER HA . 17783 1 122 . 1 1 17 17 SER HB2 H 1 3.820 0.015 . 2 . . . A 339 SER HB2 . 17783 1 123 . 1 1 17 17 SER HB3 H 1 3.817 0.010 . 2 . . . A 339 SER HB3 . 17783 1 124 . 1 1 17 17 SER C C 13 175.869 0.012 . 1 . . . A 339 SER C . 17783 1 125 . 1 1 17 17 SER CA C 13 59.759 0.082 . 1 . . . A 339 SER CA . 17783 1 126 . 1 1 17 17 SER CB C 13 62.973 0.106 . 1 . . . A 339 SER CB . 17783 1 127 . 1 1 17 17 SER N N 15 116.218 0.060 . 1 . . . A 339 SER N . 17783 1 128 . 1 1 18 18 LEU H H 1 7.790 0.006 . 1 . . . A 340 LEU H . 17783 1 129 . 1 1 18 18 LEU HA H 1 4.002 0.006 . 1 . . . A 340 LEU HA . 17783 1 130 . 1 1 18 18 LEU HB2 H 1 1.614 0.007 . 2 . . . A 340 LEU HB2 . 17783 1 131 . 1 1 18 18 LEU HB3 H 1 1.206 0.012 . 2 . . . A 340 LEU HB3 . 17783 1 132 . 1 1 18 18 LEU HG H 1 1.613 0.007 . 1 . . . A 340 LEU HG . 17783 1 133 . 1 1 18 18 LEU HD11 H 1 0.695 0.019 . 2 . . . A 340 LEU HD11 . 17783 1 134 . 1 1 18 18 LEU HD12 H 1 0.695 0.019 . 2 . . . A 340 LEU HD12 . 17783 1 135 . 1 1 18 18 LEU HD13 H 1 0.695 0.019 . 2 . . . A 340 LEU HD13 . 17783 1 136 . 1 1 18 18 LEU HD21 H 1 0.727 0.014 . 2 . . . A 340 LEU HD21 . 17783 1 137 . 1 1 18 18 LEU HD22 H 1 0.727 0.014 . 2 . . . A 340 LEU HD22 . 17783 1 138 . 1 1 18 18 LEU HD23 H 1 0.727 0.014 . 2 . . . A 340 LEU HD23 . 17783 1 139 . 1 1 18 18 LEU C C 13 178.399 0.004 . 1 . . . A 340 LEU C . 17783 1 140 . 1 1 18 18 LEU CA C 13 57.151 0.084 . 1 . . . A 340 LEU CA . 17783 1 141 . 1 1 18 18 LEU CB C 13 42.076 0.060 . 1 . . . A 340 LEU CB . 17783 1 142 . 1 1 18 18 LEU CG C 13 27.682 0.073 . 1 . . . A 340 LEU CG . 17783 1 143 . 1 1 18 18 LEU CD1 C 13 23.372 0.060 . 2 . . . A 340 LEU CD1 . 17783 1 144 . 1 1 18 18 LEU CD2 C 13 26.070 0.077 . 2 . . . A 340 LEU CD2 . 17783 1 145 . 1 1 18 18 LEU N N 15 121.515 0.070 . 1 . . . A 340 LEU N . 17783 1 146 . 1 1 19 19 LYS H H 1 7.893 0.003 . 1 . . . A 341 LYS H . 17783 1 147 . 1 1 19 19 LYS HA H 1 3.808 0.012 . 1 . . . A 341 LYS HA . 17783 1 148 . 1 1 19 19 LYS HB2 H 1 1.792 0.020 . 2 . . . A 341 LYS HB2 . 17783 1 149 . 1 1 19 19 LYS HB3 H 1 1.695 0.021 . 2 . . . A 341 LYS HB3 . 17783 1 150 . 1 1 19 19 LYS HG2 H 1 1.397 0.015 . 2 . . . A 341 LYS HG2 . 17783 1 151 . 1 1 19 19 LYS HG3 H 1 1.365 0.016 . 2 . . . A 341 LYS HG3 . 17783 1 152 . 1 1 19 19 LYS HD2 H 1 1.610 0.013 . 2 . . . A 341 LYS HD2 . 17783 1 153 . 1 1 19 19 LYS HD3 H 1 1.610 0.013 . 2 . . . A 341 LYS HD3 . 17783 1 154 . 1 1 19 19 LYS HE2 H 1 2.884 0.011 . 2 . . . A 341 LYS HE2 . 17783 1 155 . 1 1 19 19 LYS HE3 H 1 2.882 0.011 . 2 . . . A 341 LYS HE3 . 17783 1 156 . 1 1 19 19 LYS C C 13 176.960 0.006 . 1 . . . A 341 LYS C . 17783 1 157 . 1 1 19 19 LYS CA C 13 59.192 0.106 . 1 . . . A 341 LYS CA . 17783 1 158 . 1 1 19 19 LYS CB C 13 32.793 0.075 . 1 . . . A 341 LYS CB . 17783 1 159 . 1 1 19 19 LYS CG C 13 25.662 0.079 . 1 . . . A 341 LYS CG . 17783 1 160 . 1 1 19 19 LYS CD C 13 29.231 0.051 . 1 . . . A 341 LYS CD . 17783 1 161 . 1 1 19 19 LYS CE C 13 41.886 0.084 . 1 . . . A 341 LYS CE . 17783 1 162 . 1 1 19 19 LYS N N 15 117.145 0.042 . 1 . . . A 341 LYS N . 17783 1 163 . 1 1 20 20 SER H H 1 7.546 0.005 . 1 . . . A 342 SER H . 17783 1 164 . 1 1 20 20 SER HA H 1 4.369 0.007 . 1 . . . A 342 SER HA . 17783 1 165 . 1 1 20 20 SER HB2 H 1 3.835 0.011 . 2 . . . A 342 SER HB2 . 17783 1 166 . 1 1 20 20 SER HB3 H 1 3.761 0.021 . 2 . . . A 342 SER HB3 . 17783 1 167 . 1 1 20 20 SER C C 13 173.735 0.025 . 1 . . . A 342 SER C . 17783 1 168 . 1 1 20 20 SER CA C 13 58.141 0.085 . 1 . . . A 342 SER CA . 17783 1 169 . 1 1 20 20 SER CB C 13 63.900 0.108 . 1 . . . A 342 SER CB . 17783 1 170 . 1 1 20 20 SER N N 15 110.377 0.038 . 1 . . . A 342 SER N . 17783 1 171 . 1 1 21 21 ALA H H 1 6.852 0.011 . 1 . . . A 343 ALA H . 17783 1 172 . 1 1 21 21 ALA HA H 1 4.362 0.006 . 1 . . . A 343 ALA HA . 17783 1 173 . 1 1 21 21 ALA HB1 H 1 1.214 0.011 . 1 . . . A 343 ALA HB1 . 17783 1 174 . 1 1 21 21 ALA HB2 H 1 1.214 0.011 . 1 . . . A 343 ALA HB2 . 17783 1 175 . 1 1 21 21 ALA HB3 H 1 1.214 0.011 . 1 . . . A 343 ALA HB3 . 17783 1 176 . 1 1 21 21 ALA C C 13 174.051 0.000 . 1 . . . A 343 ALA C . 17783 1 177 . 1 1 21 21 ALA CA C 13 50.572 0.057 . 1 . . . A 343 ALA CA . 17783 1 178 . 1 1 21 21 ALA CB C 13 18.134 0.071 . 1 . . . A 343 ALA CB . 17783 1 179 . 1 1 21 21 ALA N N 15 125.662 0.041 . 1 . . . A 343 ALA N . 17783 1 180 . 1 1 22 22 PRO HA H 1 4.238 0.012 . 1 . . . A 344 PRO HA . 17783 1 181 . 1 1 22 22 PRO HB2 H 1 2.047 0.010 . 2 . . . A 344 PRO HB2 . 17783 1 182 . 1 1 22 22 PRO HB3 H 1 1.180 0.018 . 2 . . . A 344 PRO HB3 . 17783 1 183 . 1 1 22 22 PRO HG2 H 1 1.617 0.008 . 2 . . . A 344 PRO HG2 . 17783 1 184 . 1 1 22 22 PRO HG3 H 1 1.237 0.013 . 2 . . . A 344 PRO HG3 . 17783 1 185 . 1 1 22 22 PRO HD2 H 1 2.782 0.007 . 2 . . . A 344 PRO HD2 . 17783 1 186 . 1 1 22 22 PRO HD3 H 1 3.619 0.009 . 2 . . . A 344 PRO HD3 . 17783 1 187 . 1 1 22 22 PRO C C 13 178.184 0.000 . 1 . . . A 344 PRO C . 17783 1 188 . 1 1 22 22 PRO CA C 13 63.082 0.096 . 1 . . . A 344 PRO CA . 17783 1 189 . 1 1 22 22 PRO CB C 13 31.604 0.073 . 1 . . . A 344 PRO CB . 17783 1 190 . 1 1 22 22 PRO CG C 13 27.925 0.072 . 1 . . . A 344 PRO CG . 17783 1 191 . 1 1 22 22 PRO CD C 13 50.298 0.079 . 1 . . . A 344 PRO CD . 17783 1 192 . 1 1 23 23 SER H H 1 8.566 0.008 . 1 . . . A 345 SER H . 17783 1 193 . 1 1 23 23 SER HA H 1 3.825 0.014 . 1 . . . A 345 SER HA . 17783 1 194 . 1 1 23 23 SER HB2 H 1 3.915 0.014 . 2 . . . A 345 SER HB2 . 17783 1 195 . 1 1 23 23 SER HB3 H 1 3.733 0.016 . 2 . . . A 345 SER HB3 . 17783 1 196 . 1 1 23 23 SER C C 13 174.231 0.022 . 1 . . . A 345 SER C . 17783 1 197 . 1 1 23 23 SER CA C 13 60.892 0.110 . 1 . . . A 345 SER CA . 17783 1 198 . 1 1 23 23 SER CB C 13 63.223 0.100 . 1 . . . A 345 SER CB . 17783 1 199 . 1 1 23 23 SER N N 15 118.662 0.052 . 1 . . . A 345 SER N . 17783 1 200 . 1 1 24 24 SER H H 1 7.675 0.007 . 1 . . . A 346 SER H . 17783 1 201 . 1 1 24 24 SER HA H 1 4.383 0.014 . 1 . . . A 346 SER HA . 17783 1 202 . 1 1 24 24 SER HB2 H 1 4.227 0.013 . 2 . . . A 346 SER HB2 . 17783 1 203 . 1 1 24 24 SER HB3 H 1 3.866 0.013 . 2 . . . A 346 SER HB3 . 17783 1 204 . 1 1 24 24 SER C C 13 175.152 0.017 . 1 . . . A 346 SER C . 17783 1 205 . 1 1 24 24 SER CA C 13 58.247 0.105 . 1 . . . A 346 SER CA . 17783 1 206 . 1 1 24 24 SER CB C 13 63.958 0.107 . 1 . . . A 346 SER CB . 17783 1 207 . 1 1 24 24 SER N N 15 111.938 0.047 . 1 . . . A 346 SER N . 17783 1 208 . 1 1 25 25 HIS H H 1 7.628 0.007 . 1 . . . A 347 HIS H . 17783 1 209 . 1 1 25 25 HIS HA H 1 4.850 0.013 . 1 . . . A 347 HIS HA . 17783 1 210 . 1 1 25 25 HIS HB2 H 1 3.218 0.014 . 2 . . . A 347 HIS HB2 . 17783 1 211 . 1 1 25 25 HIS HB3 H 1 3.207 0.011 . 2 . . . A 347 HIS HB3 . 17783 1 212 . 1 1 25 25 HIS HD2 H 1 6.766 0.008 . 1 . . . A 347 HIS HD2 . 17783 1 213 . 1 1 25 25 HIS HE1 H 1 7.693 0.005 . 1 . . . A 347 HIS HE1 . 17783 1 214 . 1 1 25 25 HIS C C 13 173.574 0.006 . 1 . . . A 347 HIS C . 17783 1 215 . 1 1 25 25 HIS CA C 13 56.075 0.053 . 1 . . . A 347 HIS CA . 17783 1 216 . 1 1 25 25 HIS CB C 13 31.848 0.087 . 1 . . . A 347 HIS CB . 17783 1 217 . 1 1 25 25 HIS CD2 C 13 118.713 0.076 . 1 . . . A 347 HIS CD2 . 17783 1 218 . 1 1 25 25 HIS CE1 C 13 138.398 0.045 . 1 . . . A 347 HIS CE1 . 17783 1 219 . 1 1 25 25 HIS N N 15 122.882 0.086 . 1 . . . A 347 HIS N . 17783 1 220 . 1 1 26 26 TYR H H 1 9.606 0.005 . 1 . . . A 348 TYR H . 17783 1 221 . 1 1 26 26 TYR HA H 1 4.989 0.011 . 1 . . . A 348 TYR HA . 17783 1 222 . 1 1 26 26 TYR HB2 H 1 2.722 0.009 . 2 . . . A 348 TYR HB2 . 17783 1 223 . 1 1 26 26 TYR HB3 H 1 2.528 0.009 . 2 . . . A 348 TYR HB3 . 17783 1 224 . 1 1 26 26 TYR HD1 H 1 6.699 0.007 . 3 . . . A 348 TYR HD1 . 17783 1 225 . 1 1 26 26 TYR HD2 H 1 6.699 0.007 . 3 . . . A 348 TYR HD2 . 17783 1 226 . 1 1 26 26 TYR HE1 H 1 6.860 0.012 . 3 . . . A 348 TYR HE1 . 17783 1 227 . 1 1 26 26 TYR HE2 H 1 6.860 0.012 . 3 . . . A 348 TYR HE2 . 17783 1 228 . 1 1 26 26 TYR C C 13 174.086 0.002 . 1 . . . A 348 TYR C . 17783 1 229 . 1 1 26 26 TYR CA C 13 58.187 0.088 . 1 . . . A 348 TYR CA . 17783 1 230 . 1 1 26 26 TYR CB C 13 43.834 0.073 . 1 . . . A 348 TYR CB . 17783 1 231 . 1 1 26 26 TYR CD1 C 13 132.181 0.058 . 3 . . . A 348 TYR CD1 . 17783 1 232 . 1 1 26 26 TYR CD2 C 13 132.181 0.058 . 3 . . . A 348 TYR CD2 . 17783 1 233 . 1 1 26 26 TYR CE1 C 13 118.469 0.104 . 3 . . . A 348 TYR CE1 . 17783 1 234 . 1 1 26 26 TYR CE2 C 13 118.469 0.104 . 3 . . . A 348 TYR CE2 . 17783 1 235 . 1 1 26 26 TYR N N 15 117.921 0.050 . 1 . . . A 348 TYR N . 17783 1 236 . 1 1 27 27 THR H H 1 8.974 0.008 . 1 . . . A 349 THR H . 17783 1 237 . 1 1 27 27 THR HA H 1 5.027 0.010 . 1 . . . A 349 THR HA . 17783 1 238 . 1 1 27 27 THR HB H 1 3.926 0.012 . 1 . . . A 349 THR HB . 17783 1 239 . 1 1 27 27 THR HG21 H 1 0.895 0.009 . 1 . . . A 349 THR HG21 . 17783 1 240 . 1 1 27 27 THR HG22 H 1 0.895 0.009 . 1 . . . A 349 THR HG22 . 17783 1 241 . 1 1 27 27 THR HG23 H 1 0.895 0.009 . 1 . . . A 349 THR HG23 . 17783 1 242 . 1 1 27 27 THR C C 13 172.904 0.002 . 1 . . . A 349 THR C . 17783 1 243 . 1 1 27 27 THR CA C 13 58.835 0.073 . 1 . . . A 349 THR CA . 17783 1 244 . 1 1 27 27 THR CB C 13 70.587 0.104 . 1 . . . A 349 THR CB . 17783 1 245 . 1 1 27 27 THR CG2 C 13 19.006 0.115 . 1 . . . A 349 THR CG2 . 17783 1 246 . 1 1 27 27 THR N N 15 115.914 0.040 . 1 . . . A 349 THR N . 17783 1 247 . 1 1 28 28 LEU H H 1 8.249 0.003 . 1 . . . A 350 LEU H . 17783 1 248 . 1 1 28 28 LEU HA H 1 4.989 0.011 . 1 . . . A 350 LEU HA . 17783 1 249 . 1 1 28 28 LEU HB2 H 1 2.277 0.007 . 2 . . . A 350 LEU HB2 . 17783 1 250 . 1 1 28 28 LEU HB3 H 1 0.830 0.022 . 2 . . . A 350 LEU HB3 . 17783 1 251 . 1 1 28 28 LEU HG H 1 1.541 0.010 . 1 . . . A 350 LEU HG . 17783 1 252 . 1 1 28 28 LEU HD11 H 1 0.435 0.008 . 2 . . . A 350 LEU HD11 . 17783 1 253 . 1 1 28 28 LEU HD12 H 1 0.435 0.008 . 2 . . . A 350 LEU HD12 . 17783 1 254 . 1 1 28 28 LEU HD13 H 1 0.435 0.008 . 2 . . . A 350 LEU HD13 . 17783 1 255 . 1 1 28 28 LEU HD21 H 1 0.784 0.013 . 2 . . . A 350 LEU HD21 . 17783 1 256 . 1 1 28 28 LEU HD22 H 1 0.784 0.013 . 2 . . . A 350 LEU HD22 . 17783 1 257 . 1 1 28 28 LEU HD23 H 1 0.784 0.013 . 2 . . . A 350 LEU HD23 . 17783 1 258 . 1 1 28 28 LEU C C 13 176.111 0.003 . 1 . . . A 350 LEU C . 17783 1 259 . 1 1 28 28 LEU CA C 13 53.098 0.073 . 1 . . . A 350 LEU CA . 17783 1 260 . 1 1 28 28 LEU CB C 13 44.870 0.063 . 1 . . . A 350 LEU CB . 17783 1 261 . 1 1 28 28 LEU CG C 13 27.101 0.061 . 1 . . . A 350 LEU CG . 17783 1 262 . 1 1 28 28 LEU CD1 C 13 22.884 0.065 . 2 . . . A 350 LEU CD1 . 17783 1 263 . 1 1 28 28 LEU CD2 C 13 25.575 0.085 . 2 . . . A 350 LEU CD2 . 17783 1 264 . 1 1 28 28 LEU N N 15 123.392 0.062 . 1 . . . A 350 LEU N . 17783 1 265 . 1 1 29 29 GLN H H 1 8.915 0.007 . 1 . . . A 351 GLN H . 17783 1 266 . 1 1 29 29 GLN HA H 1 4.553 0.009 . 1 . . . A 351 GLN HA . 17783 1 267 . 1 1 29 29 GLN HB2 H 1 1.285 0.010 . 2 . . . A 351 GLN HB2 . 17783 1 268 . 1 1 29 29 GLN HB3 H 1 0.681 0.016 . 2 . . . A 351 GLN HB3 . 17783 1 269 . 1 1 29 29 GLN HG2 H 1 1.958 0.022 . 2 . . . A 351 GLN HG2 . 17783 1 270 . 1 1 29 29 GLN HG3 H 1 1.888 0.023 . 2 . . . A 351 GLN HG3 . 17783 1 271 . 1 1 29 29 GLN HE21 H 1 7.069 0.007 . 1 . . . A 351 GLN HE21 . 17783 1 272 . 1 1 29 29 GLN HE22 H 1 7.613 0.006 . 1 . . . A 351 GLN HE22 . 17783 1 273 . 1 1 29 29 GLN C C 13 175.435 0.008 . 1 . . . A 351 GLN C . 17783 1 274 . 1 1 29 29 GLN CA C 13 55.943 0.085 . 1 . . . A 351 GLN CA . 17783 1 275 . 1 1 29 29 GLN CB C 13 27.231 0.093 . 1 . . . A 351 GLN CB . 17783 1 276 . 1 1 29 29 GLN CG C 13 34.348 0.073 . 1 . . . A 351 GLN CG . 17783 1 277 . 1 1 29 29 GLN N N 15 122.797 0.039 . 1 . . . A 351 GLN N . 17783 1 278 . 1 1 29 29 GLN NE2 N 15 111.118 0.179 . 1 . . . A 351 GLN NE2 . 17783 1 279 . 1 1 30 30 LEU H H 1 8.920 0.005 . 1 . . . A 352 LEU H . 17783 1 280 . 1 1 30 30 LEU HA H 1 4.367 0.011 . 1 . . . A 352 LEU HA . 17783 1 281 . 1 1 30 30 LEU HB2 H 1 1.680 0.027 . 2 . . . A 352 LEU HB2 . 17783 1 282 . 1 1 30 30 LEU HB3 H 1 1.540 0.015 . 2 . . . A 352 LEU HB3 . 17783 1 283 . 1 1 30 30 LEU HG H 1 1.700 0.014 . 1 . . . A 352 LEU HG . 17783 1 284 . 1 1 30 30 LEU HD11 H 1 0.726 0.015 . 2 . . . A 352 LEU HD11 . 17783 1 285 . 1 1 30 30 LEU HD12 H 1 0.726 0.015 . 2 . . . A 352 LEU HD12 . 17783 1 286 . 1 1 30 30 LEU HD13 H 1 0.726 0.015 . 2 . . . A 352 LEU HD13 . 17783 1 287 . 1 1 30 30 LEU HD21 H 1 0.825 0.018 . 2 . . . A 352 LEU HD21 . 17783 1 288 . 1 1 30 30 LEU HD22 H 1 0.825 0.018 . 2 . . . A 352 LEU HD22 . 17783 1 289 . 1 1 30 30 LEU HD23 H 1 0.825 0.018 . 2 . . . A 352 LEU HD23 . 17783 1 290 . 1 1 30 30 LEU C C 13 177.250 0.002 . 1 . . . A 352 LEU C . 17783 1 291 . 1 1 30 30 LEU CA C 13 56.101 0.068 . 1 . . . A 352 LEU CA . 17783 1 292 . 1 1 30 30 LEU CB C 13 43.100 0.086 . 1 . . . A 352 LEU CB . 17783 1 293 . 1 1 30 30 LEU CG C 13 27.473 0.116 . 1 . . . A 352 LEU CG . 17783 1 294 . 1 1 30 30 LEU CD1 C 13 24.113 0.062 . 2 . . . A 352 LEU CD1 . 17783 1 295 . 1 1 30 30 LEU CD2 C 13 26.353 0.092 . 2 . . . A 352 LEU CD2 . 17783 1 296 . 1 1 30 30 LEU N N 15 125.239 0.046 . 1 . . . A 352 LEU N . 17783 1 297 . 1 1 31 31 SER H H 1 7.548 0.005 . 1 . . . A 353 SER H . 17783 1 298 . 1 1 31 31 SER HA H 1 4.493 0.011 . 1 . . . A 353 SER HA . 17783 1 299 . 1 1 31 31 SER HB2 H 1 3.708 0.014 . 2 . . . A 353 SER HB2 . 17783 1 300 . 1 1 31 31 SER HB3 H 1 3.087 0.010 . 2 . . . A 353 SER HB3 . 17783 1 301 . 1 1 31 31 SER C C 13 171.831 0.005 . 1 . . . A 353 SER C . 17783 1 302 . 1 1 31 31 SER CA C 13 57.160 0.075 . 1 . . . A 353 SER CA . 17783 1 303 . 1 1 31 31 SER CB C 13 64.360 0.077 . 1 . . . A 353 SER CB . 17783 1 304 . 1 1 31 31 SER N N 15 106.816 0.043 . 1 . . . A 353 SER N . 17783 1 305 . 1 1 32 32 SER H H 1 8.127 0.011 . 1 . . . A 354 SER H . 17783 1 306 . 1 1 32 32 SER HA H 1 5.026 0.009 . 1 . . . A 354 SER HA . 17783 1 307 . 1 1 32 32 SER HB2 H 1 3.973 0.017 . 2 . . . A 354 SER HB2 . 17783 1 308 . 1 1 32 32 SER HB3 H 1 3.865 0.020 . 2 . . . A 354 SER HB3 . 17783 1 309 . 1 1 32 32 SER C C 13 172.512 0.006 . 1 . . . A 354 SER C . 17783 1 310 . 1 1 32 32 SER CA C 13 57.285 0.087 . 1 . . . A 354 SER CA . 17783 1 311 . 1 1 32 32 SER CB C 13 65.347 0.065 . 1 . . . A 354 SER CB . 17783 1 312 . 1 1 32 32 SER N N 15 113.518 0.046 . 1 . . . A 354 SER N . 17783 1 313 . 1 1 33 33 SER H H 1 8.616 0.005 . 1 . . . A 355 SER H . 17783 1 314 . 1 1 33 33 SER HA H 1 4.106 0.010 . 1 . . . A 355 SER HA . 17783 1 315 . 1 1 33 33 SER HB2 H 1 3.815 0.019 . 2 . . . A 355 SER HB2 . 17783 1 316 . 1 1 33 33 SER HB3 H 1 3.109 0.011 . 2 . . . A 355 SER HB3 . 17783 1 317 . 1 1 33 33 SER C C 13 171.639 0.008 . 1 . . . A 355 SER C . 17783 1 318 . 1 1 33 33 SER CA C 13 57.276 0.108 . 1 . . . A 355 SER CA . 17783 1 319 . 1 1 33 33 SER CB C 13 64.539 0.063 . 1 . . . A 355 SER CB . 17783 1 320 . 1 1 33 33 SER N N 15 114.624 0.056 . 1 . . . A 355 SER N . 17783 1 321 . 1 1 34 34 SER H H 1 8.132 0.007 . 1 . . . A 356 SER H . 17783 1 322 . 1 1 34 34 SER HA H 1 4.241 0.014 . 1 . . . A 356 SER HA . 17783 1 323 . 1 1 34 34 SER HB2 H 1 4.287 0.017 . 2 . . . A 356 SER HB2 . 17783 1 324 . 1 1 34 34 SER HB3 H 1 3.972 0.011 . 2 . . . A 356 SER HB3 . 17783 1 325 . 1 1 34 34 SER C C 13 173.820 0.007 . 1 . . . A 356 SER C . 17783 1 326 . 1 1 34 34 SER CA C 13 59.074 0.083 . 1 . . . A 356 SER CA . 17783 1 327 . 1 1 34 34 SER CB C 13 63.741 0.083 . 1 . . . A 356 SER CB . 17783 1 328 . 1 1 34 34 SER N N 15 116.467 0.039 . 1 . . . A 356 SER N . 17783 1 329 . 1 1 35 35 ASN H H 1 8.511 0.007 . 1 . . . A 357 ASN H . 17783 1 330 . 1 1 35 35 ASN HA H 1 4.921 0.008 . 1 . . . A 357 ASN HA . 17783 1 331 . 1 1 35 35 ASN HB2 H 1 2.762 0.014 . 2 . . . A 357 ASN HB2 . 17783 1 332 . 1 1 35 35 ASN HB3 H 1 2.452 0.011 . 2 . . . A 357 ASN HB3 . 17783 1 333 . 1 1 35 35 ASN HD21 H 1 6.970 0.008 . 1 . . . A 357 ASN HD21 . 17783 1 334 . 1 1 35 35 ASN HD22 H 1 7.583 0.006 . 1 . . . A 357 ASN HD22 . 17783 1 335 . 1 1 35 35 ASN C C 13 172.965 0.003 . 1 . . . A 357 ASN C . 17783 1 336 . 1 1 35 35 ASN CA C 13 52.447 0.115 . 1 . . . A 357 ASN CA . 17783 1 337 . 1 1 35 35 ASN CB C 13 40.925 0.075 . 1 . . . A 357 ASN CB . 17783 1 338 . 1 1 35 35 ASN CG C 13 176.461 0.012 . 1 . . . A 357 ASN CG . 17783 1 339 . 1 1 35 35 ASN N N 15 122.206 0.034 . 1 . . . A 357 ASN N . 17783 1 340 . 1 1 35 35 ASN ND2 N 15 113.110 0.236 . 1 . . . A 357 ASN ND2 . 17783 1 341 . 1 1 36 36 TYR H H 1 8.002 0.004 . 1 . . . A 358 TYR H . 17783 1 342 . 1 1 36 36 TYR HA H 1 2.972 0.011 . 1 . . . A 358 TYR HA . 17783 1 343 . 1 1 36 36 TYR HB2 H 1 2.151 0.014 . 2 . . . A 358 TYR HB2 . 17783 1 344 . 1 1 36 36 TYR HB3 H 1 1.288 0.006 . 2 . . . A 358 TYR HB3 . 17783 1 345 . 1 1 36 36 TYR HD1 H 1 6.619 0.008 . 3 . . . A 358 TYR HD1 . 17783 1 346 . 1 1 36 36 TYR HD2 H 1 6.619 0.008 . 3 . . . A 358 TYR HD2 . 17783 1 347 . 1 1 36 36 TYR HE1 H 1 6.620 0.005 . 3 . . . A 358 TYR HE1 . 17783 1 348 . 1 1 36 36 TYR HE2 H 1 6.620 0.005 . 3 . . . A 358 TYR HE2 . 17783 1 349 . 1 1 36 36 TYR C C 13 176.522 0.002 . 1 . . . A 358 TYR C . 17783 1 350 . 1 1 36 36 TYR CA C 13 61.969 0.074 . 1 . . . A 358 TYR CA . 17783 1 351 . 1 1 36 36 TYR CB C 13 37.711 0.055 . 1 . . . A 358 TYR CB . 17783 1 352 . 1 1 36 36 TYR CD1 C 13 133.478 0.062 . 3 . . . A 358 TYR CD1 . 17783 1 353 . 1 1 36 36 TYR CD2 C 13 133.478 0.062 . 3 . . . A 358 TYR CD2 . 17783 1 354 . 1 1 36 36 TYR CE1 C 13 117.508 0.082 . 3 . . . A 358 TYR CE1 . 17783 1 355 . 1 1 36 36 TYR CE2 C 13 117.508 0.082 . 3 . . . A 358 TYR CE2 . 17783 1 356 . 1 1 36 36 TYR N N 15 127.519 0.048 . 1 . . . A 358 TYR N . 17783 1 357 . 1 1 37 37 ASP H H 1 8.033 0.003 . 1 . . . A 359 ASP H . 17783 1 358 . 1 1 37 37 ASP HA H 1 4.144 0.006 . 1 . . . A 359 ASP HA . 17783 1 359 . 1 1 37 37 ASP HB2 H 1 2.647 0.020 . 2 . . . A 359 ASP HB2 . 17783 1 360 . 1 1 37 37 ASP HB3 H 1 2.609 0.020 . 2 . . . A 359 ASP HB3 . 17783 1 361 . 1 1 37 37 ASP C C 13 179.804 0.004 . 1 . . . A 359 ASP C . 17783 1 362 . 1 1 37 37 ASP CA C 13 57.503 0.061 . 1 . . . A 359 ASP CA . 17783 1 363 . 1 1 37 37 ASP CB C 13 40.178 0.064 . 1 . . . A 359 ASP CB . 17783 1 364 . 1 1 37 37 ASP N N 15 118.658 0.043 . 1 . . . A 359 ASP N . 17783 1 365 . 1 1 38 38 ASN H H 1 8.380 0.010 . 1 . . . A 360 ASN H . 17783 1 366 . 1 1 38 38 ASN HA H 1 4.303 0.010 . 1 . . . A 360 ASN HA . 17783 1 367 . 1 1 38 38 ASN HB2 H 1 2.673 0.010 . 1 . . . A 360 ASN HB2 . 17783 1 368 . 1 1 38 38 ASN HB3 H 1 2.673 0.010 . 1 . . . A 360 ASN HB3 . 17783 1 369 . 1 1 38 38 ASN HD21 H 1 6.895 0.010 . 1 . . . A 360 ASN HD21 . 17783 1 370 . 1 1 38 38 ASN HD22 H 1 7.465 0.012 . 1 . . . A 360 ASN HD22 . 17783 1 371 . 1 1 38 38 ASN C C 13 177.720 0.001 . 1 . . . A 360 ASN C . 17783 1 372 . 1 1 38 38 ASN CA C 13 55.450 0.072 . 1 . . . A 360 ASN CA . 17783 1 373 . 1 1 38 38 ASN CB C 13 37.763 0.077 . 1 . . . A 360 ASN CB . 17783 1 374 . 1 1 38 38 ASN CG C 13 175.344 0.013 . 1 . . . A 360 ASN CG . 17783 1 375 . 1 1 38 38 ASN N N 15 119.802 0.036 . 1 . . . A 360 ASN N . 17783 1 376 . 1 1 38 38 ASN ND2 N 15 110.912 0.234 . 1 . . . A 360 ASN ND2 . 17783 1 377 . 1 1 39 39 LEU H H 1 7.243 0.006 . 1 . . . A 361 LEU H . 17783 1 378 . 1 1 39 39 LEU HA H 1 4.097 0.009 . 1 . . . A 361 LEU HA . 17783 1 379 . 1 1 39 39 LEU HB2 H 1 1.424 0.014 . 2 . . . A 361 LEU HB2 . 17783 1 380 . 1 1 39 39 LEU HB3 H 1 1.423 0.015 . 2 . . . A 361 LEU HB3 . 17783 1 381 . 1 1 39 39 LEU HG H 1 1.399 0.016 . 1 . . . A 361 LEU HG . 17783 1 382 . 1 1 39 39 LEU HD11 H 1 0.546 0.013 . 2 . . . A 361 LEU HD11 . 17783 1 383 . 1 1 39 39 LEU HD12 H 1 0.546 0.013 . 2 . . . A 361 LEU HD12 . 17783 1 384 . 1 1 39 39 LEU HD13 H 1 0.546 0.013 . 2 . . . A 361 LEU HD13 . 17783 1 385 . 1 1 39 39 LEU HD21 H 1 0.595 0.017 . 2 . . . A 361 LEU HD21 . 17783 1 386 . 1 1 39 39 LEU HD22 H 1 0.595 0.017 . 2 . . . A 361 LEU HD22 . 17783 1 387 . 1 1 39 39 LEU HD23 H 1 0.595 0.017 . 2 . . . A 361 LEU HD23 . 17783 1 388 . 1 1 39 39 LEU C C 13 177.738 0.001 . 1 . . . A 361 LEU C . 17783 1 389 . 1 1 39 39 LEU CA C 13 57.565 0.097 . 1 . . . A 361 LEU CA . 17783 1 390 . 1 1 39 39 LEU CB C 13 42.728 0.059 . 1 . . . A 361 LEU CB . 17783 1 391 . 1 1 39 39 LEU CG C 13 26.110 0.117 . 1 . . . A 361 LEU CG . 17783 1 392 . 1 1 39 39 LEU CD1 C 13 25.462 0.106 . 2 . . . A 361 LEU CD1 . 17783 1 393 . 1 1 39 39 LEU CD2 C 13 24.768 0.121 . 2 . . . A 361 LEU CD2 . 17783 1 394 . 1 1 39 39 LEU N N 15 121.625 0.039 . 1 . . . A 361 LEU N . 17783 1 395 . 1 1 40 40 ASN H H 1 8.284 0.004 . 1 . . . A 362 ASN H . 17783 1 396 . 1 1 40 40 ASN HA H 1 4.145 0.008 . 1 . . . A 362 ASN HA . 17783 1 397 . 1 1 40 40 ASN HB2 H 1 2.421 0.008 . 2 . . . A 362 ASN HB2 . 17783 1 398 . 1 1 40 40 ASN HB3 H 1 1.965 0.014 . 2 . . . A 362 ASN HB3 . 17783 1 399 . 1 1 40 40 ASN HD21 H 1 6.662 0.011 . 1 . . . A 362 ASN HD21 . 17783 1 400 . 1 1 40 40 ASN HD22 H 1 7.637 0.006 . 1 . . . A 362 ASN HD22 . 17783 1 401 . 1 1 40 40 ASN C C 13 177.253 0.004 . 1 . . . A 362 ASN C . 17783 1 402 . 1 1 40 40 ASN CA C 13 56.527 0.086 . 1 . . . A 362 ASN CA . 17783 1 403 . 1 1 40 40 ASN CB C 13 39.326 0.063 . 1 . . . A 362 ASN CB . 17783 1 404 . 1 1 40 40 ASN N N 15 116.601 0.035 . 1 . . . A 362 ASN N . 17783 1 405 . 1 1 40 40 ASN ND2 N 15 114.790 0.235 . 1 . . . A 362 ASN ND2 . 17783 1 406 . 1 1 41 41 GLY H H 1 8.334 0.005 . 1 . . . A 363 GLY H . 17783 1 407 . 1 1 41 41 GLY HA2 H 1 3.921 0.009 . 2 . . . A 363 GLY HA2 . 17783 1 408 . 1 1 41 41 GLY HA3 H 1 3.687 0.014 . 2 . . . A 363 GLY HA3 . 17783 1 409 . 1 1 41 41 GLY C C 13 176.323 0.005 . 1 . . . A 363 GLY C . 17783 1 410 . 1 1 41 41 GLY CA C 13 46.839 0.096 . 1 . . . A 363 GLY CA . 17783 1 411 . 1 1 41 41 GLY N N 15 104.958 0.041 . 1 . . . A 363 GLY N . 17783 1 412 . 1 1 42 42 TRP H H 1 7.833 0.006 . 1 . . . A 364 TRP H . 17783 1 413 . 1 1 42 42 TRP HA H 1 4.226 0.012 . 1 . . . A 364 TRP HA . 17783 1 414 . 1 1 42 42 TRP HB2 H 1 3.339 0.020 . 2 . . . A 364 TRP HB2 . 17783 1 415 . 1 1 42 42 TRP HB3 H 1 3.230 0.021 . 2 . . . A 364 TRP HB3 . 17783 1 416 . 1 1 42 42 TRP HD1 H 1 7.329 0.006 . 1 . . . A 364 TRP HD1 . 17783 1 417 . 1 1 42 42 TRP HE1 H 1 10.455 0.008 . 1 . . . A 364 TRP HE1 . 17783 1 418 . 1 1 42 42 TRP HE3 H 1 7.152 0.009 . 1 . . . A 364 TRP HE3 . 17783 1 419 . 1 1 42 42 TRP HZ2 H 1 7.144 0.007 . 1 . . . A 364 TRP HZ2 . 17783 1 420 . 1 1 42 42 TRP HZ3 H 1 6.590 0.007 . 1 . . . A 364 TRP HZ3 . 17783 1 421 . 1 1 42 42 TRP HH2 H 1 6.933 0.007 . 1 . . . A 364 TRP HH2 . 17783 1 422 . 1 1 42 42 TRP C C 13 176.509 0.009 . 1 . . . A 364 TRP C . 17783 1 423 . 1 1 42 42 TRP CA C 13 61.489 0.101 . 1 . . . A 364 TRP CA . 17783 1 424 . 1 1 42 42 TRP CB C 13 27.876 0.056 . 1 . . . A 364 TRP CB . 17783 1 425 . 1 1 42 42 TRP CD1 C 13 127.823 0.077 . 1 . . . A 364 TRP CD1 . 17783 1 426 . 1 1 42 42 TRP CE3 C 13 124.181 0.071 . 1 . . . A 364 TRP CE3 . 17783 1 427 . 1 1 42 42 TRP CZ2 C 13 114.077 0.059 . 1 . . . A 364 TRP CZ2 . 17783 1 428 . 1 1 42 42 TRP CZ3 C 13 120.495 0.079 . 1 . . . A 364 TRP CZ3 . 17783 1 429 . 1 1 42 42 TRP CH2 C 13 123.635 0.076 . 1 . . . A 364 TRP CH2 . 17783 1 430 . 1 1 42 42 TRP N N 15 125.066 0.044 . 1 . . . A 364 TRP N . 17783 1 431 . 1 1 42 42 TRP NE1 N 15 132.072 0.074 . 1 . . . A 364 TRP NE1 . 17783 1 432 . 1 1 43 43 ALA H H 1 7.701 0.010 . 1 . . . A 365 ALA H . 17783 1 433 . 1 1 43 43 ALA HA H 1 2.994 0.010 . 1 . . . A 365 ALA HA . 17783 1 434 . 1 1 43 43 ALA HB1 H 1 0.506 0.013 . 1 . . . A 365 ALA HB1 . 17783 1 435 . 1 1 43 43 ALA HB2 H 1 0.506 0.013 . 1 . . . A 365 ALA HB2 . 17783 1 436 . 1 1 43 43 ALA HB3 H 1 0.506 0.013 . 1 . . . A 365 ALA HB3 . 17783 1 437 . 1 1 43 43 ALA C C 13 179.186 0.002 . 1 . . . A 365 ALA C . 17783 1 438 . 1 1 43 43 ALA CA C 13 55.001 0.063 . 1 . . . A 365 ALA CA . 17783 1 439 . 1 1 43 43 ALA CB C 13 17.088 0.064 . 1 . . . A 365 ALA CB . 17783 1 440 . 1 1 43 43 ALA N N 15 120.030 0.045 . 1 . . . A 365 ALA N . 17783 1 441 . 1 1 44 44 LYS H H 1 7.562 0.004 . 1 . . . A 366 LYS H . 17783 1 442 . 1 1 44 44 LYS HA H 1 4.033 0.009 . 1 . . . A 366 LYS HA . 17783 1 443 . 1 1 44 44 LYS HB2 H 1 1.812 0.011 . 2 . . . A 366 LYS HB2 . 17783 1 444 . 1 1 44 44 LYS HB3 H 1 1.642 0.009 . 2 . . . A 366 LYS HB3 . 17783 1 445 . 1 1 44 44 LYS HG2 H 1 1.643 0.010 . 2 . . . A 366 LYS HG2 . 17783 1 446 . 1 1 44 44 LYS HG3 H 1 1.440 0.019 . 2 . . . A 366 LYS HG3 . 17783 1 447 . 1 1 44 44 LYS HD2 H 1 1.809 0.013 . 2 . . . A 366 LYS HD2 . 17783 1 448 . 1 1 44 44 LYS HD3 H 1 1.648 0.009 . 2 . . . A 366 LYS HD3 . 17783 1 449 . 1 1 44 44 LYS HE2 H 1 2.951 0.015 . 2 . . . A 366 LYS HE2 . 17783 1 450 . 1 1 44 44 LYS HE3 H 1 2.949 0.013 . 2 . . . A 366 LYS HE3 . 17783 1 451 . 1 1 44 44 LYS C C 13 180.830 0.005 . 1 . . . A 366 LYS C . 17783 1 452 . 1 1 44 44 LYS CA C 13 58.991 0.072 . 1 . . . A 366 LYS CA . 17783 1 453 . 1 1 44 44 LYS CB C 13 32.350 0.065 . 1 . . . A 366 LYS CB . 17783 1 454 . 1 1 44 44 LYS CG C 13 25.146 0.095 . 1 . . . A 366 LYS CG . 17783 1 455 . 1 1 44 44 LYS CD C 13 29.170 0.065 . 1 . . . A 366 LYS CD . 17783 1 456 . 1 1 44 44 LYS CE C 13 41.980 0.108 . 1 . . . A 366 LYS CE . 17783 1 457 . 1 1 44 44 LYS N N 15 115.064 0.067 . 1 . . . A 366 LYS N . 17783 1 458 . 1 1 45 45 LYS H H 1 8.067 0.004 . 1 . . . A 367 LYS H . 17783 1 459 . 1 1 45 45 LYS HA H 1 3.907 0.006 . 1 . . . A 367 LYS HA . 17783 1 460 . 1 1 45 45 LYS HB2 H 1 1.889 0.013 . 2 . . . A 367 LYS HB2 . 17783 1 461 . 1 1 45 45 LYS HB3 H 1 1.889 0.013 . 2 . . . A 367 LYS HB3 . 17783 1 462 . 1 1 45 45 LYS HG2 H 1 1.429 0.009 . 2 . . . A 367 LYS HG2 . 17783 1 463 . 1 1 45 45 LYS HG3 H 1 1.340 0.013 . 2 . . . A 367 LYS HG3 . 17783 1 464 . 1 1 45 45 LYS HD2 H 1 1.639 0.005 . 2 . . . A 367 LYS HD2 . 17783 1 465 . 1 1 45 45 LYS HD3 H 1 1.639 0.005 . 2 . . . A 367 LYS HD3 . 17783 1 466 . 1 1 45 45 LYS HE2 H 1 2.948 0.011 . 2 . . . A 367 LYS HE2 . 17783 1 467 . 1 1 45 45 LYS HE3 H 1 2.945 0.006 . 2 . . . A 367 LYS HE3 . 17783 1 468 . 1 1 45 45 LYS C C 13 178.319 0.003 . 1 . . . A 367 LYS C . 17783 1 469 . 1 1 45 45 LYS CA C 13 59.044 0.078 . 1 . . . A 367 LYS CA . 17783 1 470 . 1 1 45 45 LYS CB C 13 32.066 0.079 . 1 . . . A 367 LYS CB . 17783 1 471 . 1 1 45 45 LYS CG C 13 24.759 0.057 . 1 . . . A 367 LYS CG . 17783 1 472 . 1 1 45 45 LYS CD C 13 29.268 0.060 . 1 . . . A 367 LYS CD . 17783 1 473 . 1 1 45 45 LYS CE C 13 42.114 0.102 . 1 . . . A 367 LYS CE . 17783 1 474 . 1 1 45 45 LYS N N 15 123.180 0.072 . 1 . . . A 367 LYS N . 17783 1 475 . 1 1 46 46 GLU H H 1 7.488 0.007 . 1 . . . A 368 GLU H . 17783 1 476 . 1 1 46 46 GLU HA H 1 3.917 0.011 . 1 . . . A 368 GLU HA . 17783 1 477 . 1 1 46 46 GLU HB2 H 1 1.787 0.010 . 2 . . . A 368 GLU HB2 . 17783 1 478 . 1 1 46 46 GLU HB3 H 1 0.845 0.018 . 2 . . . A 368 GLU HB3 . 17783 1 479 . 1 1 46 46 GLU HG2 H 1 1.443 0.012 . 2 . . . A 368 GLU HG2 . 17783 1 480 . 1 1 46 46 GLU HG3 H 1 0.648 0.021 . 2 . . . A 368 GLU HG3 . 17783 1 481 . 1 1 46 46 GLU C C 13 174.639 0.016 . 1 . . . A 368 GLU C . 17783 1 482 . 1 1 46 46 GLU CA C 13 55.016 0.080 . 1 . . . A 368 GLU CA . 17783 1 483 . 1 1 46 46 GLU CB C 13 27.677 0.114 . 1 . . . A 368 GLU CB . 17783 1 484 . 1 1 46 46 GLU CG C 13 32.592 0.124 . 1 . . . A 368 GLU CG . 17783 1 485 . 1 1 46 46 GLU N N 15 114.882 0.041 . 1 . . . A 368 GLU N . 17783 1 486 . 1 1 47 47 ASN H H 1 7.772 0.007 . 1 . . . A 369 ASN H . 17783 1 487 . 1 1 47 47 ASN HA H 1 4.272 0.010 . 1 . . . A 369 ASN HA . 17783 1 488 . 1 1 47 47 ASN HB2 H 1 3.013 0.011 . 2 . . . A 369 ASN HB2 . 17783 1 489 . 1 1 47 47 ASN HB3 H 1 2.614 0.017 . 2 . . . A 369 ASN HB3 . 17783 1 490 . 1 1 47 47 ASN HD21 H 1 6.758 0.006 . 1 . . . A 369 ASN HD21 . 17783 1 491 . 1 1 47 47 ASN HD22 H 1 7.457 0.005 . 1 . . . A 369 ASN HD22 . 17783 1 492 . 1 1 47 47 ASN C C 13 174.759 0.011 . 1 . . . A 369 ASN C . 17783 1 493 . 1 1 47 47 ASN CA C 13 53.704 0.073 . 1 . . . A 369 ASN CA . 17783 1 494 . 1 1 47 47 ASN CB C 13 37.059 0.063 . 1 . . . A 369 ASN CB . 17783 1 495 . 1 1 47 47 ASN CG C 13 178.198 0.005 . 1 . . . A 369 ASN CG . 17783 1 496 . 1 1 47 47 ASN N N 15 114.944 0.047 . 1 . . . A 369 ASN N . 17783 1 497 . 1 1 47 47 ASN ND2 N 15 112.384 0.264 . 1 . . . A 369 ASN ND2 . 17783 1 498 . 1 1 48 48 LEU H H 1 7.463 0.005 . 1 . . . A 370 LEU H . 17783 1 499 . 1 1 48 48 LEU HA H 1 4.120 0.007 . 1 . . . A 370 LEU HA . 17783 1 500 . 1 1 48 48 LEU HB2 H 1 1.290 0.016 . 2 . . . A 370 LEU HB2 . 17783 1 501 . 1 1 48 48 LEU HB3 H 1 1.275 0.019 . 2 . . . A 370 LEU HB3 . 17783 1 502 . 1 1 48 48 LEU HG H 1 1.327 0.016 . 1 . . . A 370 LEU HG . 17783 1 503 . 1 1 48 48 LEU HD11 H 1 0.396 0.009 . 2 . . . A 370 LEU HD11 . 17783 1 504 . 1 1 48 48 LEU HD12 H 1 0.396 0.009 . 2 . . . A 370 LEU HD12 . 17783 1 505 . 1 1 48 48 LEU HD13 H 1 0.396 0.009 . 2 . . . A 370 LEU HD13 . 17783 1 506 . 1 1 48 48 LEU HD21 H 1 0.648 0.013 . 2 . . . A 370 LEU HD21 . 17783 1 507 . 1 1 48 48 LEU HD22 H 1 0.648 0.013 . 2 . . . A 370 LEU HD22 . 17783 1 508 . 1 1 48 48 LEU HD23 H 1 0.648 0.013 . 2 . . . A 370 LEU HD23 . 17783 1 509 . 1 1 48 48 LEU C C 13 177.056 0.004 . 1 . . . A 370 LEU C . 17783 1 510 . 1 1 48 48 LEU CA C 13 55.118 0.063 . 1 . . . A 370 LEU CA . 17783 1 511 . 1 1 48 48 LEU CB C 13 41.917 0.050 . 1 . . . A 370 LEU CB . 17783 1 512 . 1 1 48 48 LEU CG C 13 26.545 0.094 . 1 . . . A 370 LEU CG . 17783 1 513 . 1 1 48 48 LEU CD1 C 13 25.855 0.060 . 2 . . . A 370 LEU CD1 . 17783 1 514 . 1 1 48 48 LEU CD2 C 13 22.312 0.070 . 2 . . . A 370 LEU CD2 . 17783 1 515 . 1 1 48 48 LEU N N 15 116.008 0.051 . 1 . . . A 370 LEU N . 17783 1 516 . 1 1 49 49 LYS H H 1 8.518 0.004 . 1 . . . A 371 LYS H . 17783 1 517 . 1 1 49 49 LYS HA H 1 4.560 0.007 . 1 . . . A 371 LYS HA . 17783 1 518 . 1 1 49 49 LYS HB2 H 1 1.776 0.021 . 2 . . . A 371 LYS HB2 . 17783 1 519 . 1 1 49 49 LYS HB3 H 1 1.742 0.018 . 2 . . . A 371 LYS HB3 . 17783 1 520 . 1 1 49 49 LYS HG2 H 1 1.440 0.012 . 2 . . . A 371 LYS HG2 . 17783 1 521 . 1 1 49 49 LYS HG3 H 1 1.430 0.013 . 2 . . . A 371 LYS HG3 . 17783 1 522 . 1 1 49 49 LYS HD2 H 1 1.646 0.012 . 2 . . . A 371 LYS HD2 . 17783 1 523 . 1 1 49 49 LYS HD3 H 1 1.646 0.012 . 2 . . . A 371 LYS HD3 . 17783 1 524 . 1 1 49 49 LYS HE2 H 1 2.960 0.006 . 1 . . . A 371 LYS HE2 . 17783 1 525 . 1 1 49 49 LYS HE3 H 1 2.960 0.006 . 1 . . . A 371 LYS HE3 . 17783 1 526 . 1 1 49 49 LYS C C 13 176.481 0.011 . 1 . . . A 371 LYS C . 17783 1 527 . 1 1 49 49 LYS CA C 13 55.329 0.060 . 1 . . . A 371 LYS CA . 17783 1 528 . 1 1 49 49 LYS CB C 13 34.555 0.046 . 1 . . . A 371 LYS CB . 17783 1 529 . 1 1 49 49 LYS CG C 13 24.600 0.049 . 1 . . . A 371 LYS CG . 17783 1 530 . 1 1 49 49 LYS CD C 13 28.663 0.036 . 1 . . . A 371 LYS CD . 17783 1 531 . 1 1 49 49 LYS CE C 13 42.125 0.051 . 1 . . . A 371 LYS CE . 17783 1 532 . 1 1 49 49 LYS N N 15 120.012 0.044 . 1 . . . A 371 LYS N . 17783 1 533 . 1 1 50 50 ASN H H 1 8.734 0.009 . 1 . . . A 372 ASN H . 17783 1 534 . 1 1 50 50 ASN HA H 1 4.514 0.014 . 1 . . . A 372 ASN HA . 17783 1 535 . 1 1 50 50 ASN HB2 H 1 2.901 0.010 . 2 . . . A 372 ASN HB2 . 17783 1 536 . 1 1 50 50 ASN HB3 H 1 2.705 0.010 . 2 . . . A 372 ASN HB3 . 17783 1 537 . 1 1 50 50 ASN HD21 H 1 6.872 0.005 . 1 . . . A 372 ASN HD21 . 17783 1 538 . 1 1 50 50 ASN HD22 H 1 7.654 0.004 . 1 . . . A 372 ASN HD22 . 17783 1 539 . 1 1 50 50 ASN C C 13 173.445 0.014 . 1 . . . A 372 ASN C . 17783 1 540 . 1 1 50 50 ASN CA C 13 53.437 0.108 . 1 . . . A 372 ASN CA . 17783 1 541 . 1 1 50 50 ASN CB C 13 37.932 0.059 . 1 . . . A 372 ASN CB . 17783 1 542 . 1 1 50 50 ASN CG C 13 177.821 0.014 . 1 . . . A 372 ASN CG . 17783 1 543 . 1 1 50 50 ASN N N 15 117.610 0.063 . 1 . . . A 372 ASN N . 17783 1 544 . 1 1 50 50 ASN ND2 N 15 112.643 0.254 . 1 . . . A 372 ASN ND2 . 17783 1 545 . 1 1 51 51 TYR H H 1 7.570 0.005 . 1 . . . A 373 TYR H . 17783 1 546 . 1 1 51 51 TYR HA H 1 5.395 0.012 . 1 . . . A 373 TYR HA . 17783 1 547 . 1 1 51 51 TYR HB2 H 1 3.173 0.012 . 2 . . . A 373 TYR HB2 . 17783 1 548 . 1 1 51 51 TYR HB3 H 1 2.599 0.009 . 2 . . . A 373 TYR HB3 . 17783 1 549 . 1 1 51 51 TYR HD1 H 1 6.523 0.007 . 3 . . . A 373 TYR HD1 . 17783 1 550 . 1 1 51 51 TYR HD2 H 1 6.523 0.007 . 3 . . . A 373 TYR HD2 . 17783 1 551 . 1 1 51 51 TYR HE1 H 1 6.702 0.014 . 3 . . . A 373 TYR HE1 . 17783 1 552 . 1 1 51 51 TYR HE2 H 1 6.702 0.014 . 3 . . . A 373 TYR HE2 . 17783 1 553 . 1 1 51 51 TYR C C 13 173.549 0.005 . 1 . . . A 373 TYR C . 17783 1 554 . 1 1 51 51 TYR CA C 13 55.782 0.058 . 1 . . . A 373 TYR CA . 17783 1 555 . 1 1 51 51 TYR CB C 13 40.411 0.058 . 1 . . . A 373 TYR CB . 17783 1 556 . 1 1 51 51 TYR CD1 C 13 133.365 0.055 . 3 . . . A 373 TYR CD1 . 17783 1 557 . 1 1 51 51 TYR CD2 C 13 133.365 0.055 . 3 . . . A 373 TYR CD2 . 17783 1 558 . 1 1 51 51 TYR CE1 C 13 117.998 0.046 . 3 . . . A 373 TYR CE1 . 17783 1 559 . 1 1 51 51 TYR CE2 C 13 117.998 0.046 . 3 . . . A 373 TYR CE2 . 17783 1 560 . 1 1 51 51 TYR N N 15 117.151 0.046 . 1 . . . A 373 TYR N . 17783 1 561 . 1 1 52 52 VAL H H 1 9.140 0.004 . 1 . . . A 374 VAL H . 17783 1 562 . 1 1 52 52 VAL HA H 1 4.298 0.005 . 1 . . . A 374 VAL HA . 17783 1 563 . 1 1 52 52 VAL HB H 1 1.898 0.006 . 1 . . . A 374 VAL HB . 17783 1 564 . 1 1 52 52 VAL HG11 H 1 0.868 0.022 . 2 . . . A 374 VAL HG11 . 17783 1 565 . 1 1 52 52 VAL HG12 H 1 0.868 0.022 . 2 . . . A 374 VAL HG12 . 17783 1 566 . 1 1 52 52 VAL HG13 H 1 0.868 0.022 . 2 . . . A 374 VAL HG13 . 17783 1 567 . 1 1 52 52 VAL HG21 H 1 0.933 0.014 . 2 . . . A 374 VAL HG21 . 17783 1 568 . 1 1 52 52 VAL HG22 H 1 0.933 0.014 . 2 . . . A 374 VAL HG22 . 17783 1 569 . 1 1 52 52 VAL HG23 H 1 0.933 0.014 . 2 . . . A 374 VAL HG23 . 17783 1 570 . 1 1 52 52 VAL C C 13 174.289 0.005 . 1 . . . A 374 VAL C . 17783 1 571 . 1 1 52 52 VAL CA C 13 61.714 0.070 . 1 . . . A 374 VAL CA . 17783 1 572 . 1 1 52 52 VAL CB C 13 36.584 0.045 . 1 . . . A 374 VAL CB . 17783 1 573 . 1 1 52 52 VAL CG1 C 13 21.876 0.094 . 2 . . . A 374 VAL CG1 . 17783 1 574 . 1 1 52 52 VAL CG2 C 13 21.690 0.104 . 2 . . . A 374 VAL CG2 . 17783 1 575 . 1 1 52 52 VAL N N 15 120.887 0.040 . 1 . . . A 374 VAL N . 17783 1 576 . 1 1 53 53 VAL H H 1 8.600 0.009 . 1 . . . A 375 VAL H . 17783 1 577 . 1 1 53 53 VAL HA H 1 5.415 0.009 . 1 . . . A 375 VAL HA . 17783 1 578 . 1 1 53 53 VAL HB H 1 2.098 0.006 . 1 . . . A 375 VAL HB . 17783 1 579 . 1 1 53 53 VAL HG11 H 1 0.859 0.016 . 2 . . . A 375 VAL HG11 . 17783 1 580 . 1 1 53 53 VAL HG12 H 1 0.859 0.016 . 2 . . . A 375 VAL HG12 . 17783 1 581 . 1 1 53 53 VAL HG13 H 1 0.859 0.016 . 2 . . . A 375 VAL HG13 . 17783 1 582 . 1 1 53 53 VAL HG21 H 1 0.900 0.017 . 2 . . . A 375 VAL HG21 . 17783 1 583 . 1 1 53 53 VAL HG22 H 1 0.900 0.017 . 2 . . . A 375 VAL HG22 . 17783 1 584 . 1 1 53 53 VAL HG23 H 1 0.900 0.017 . 2 . . . A 375 VAL HG23 . 17783 1 585 . 1 1 53 53 VAL C C 13 175.803 0.004 . 1 . . . A 375 VAL C . 17783 1 586 . 1 1 53 53 VAL CA C 13 60.656 0.063 . 1 . . . A 375 VAL CA . 17783 1 587 . 1 1 53 53 VAL CB C 13 32.736 0.053 . 1 . . . A 375 VAL CB . 17783 1 588 . 1 1 53 53 VAL CG1 C 13 23.729 0.079 . 2 . . . A 375 VAL CG1 . 17783 1 589 . 1 1 53 53 VAL CG2 C 13 22.438 0.054 . 2 . . . A 375 VAL CG2 . 17783 1 590 . 1 1 53 53 VAL N N 15 126.060 0.045 . 1 . . . A 375 VAL N . 17783 1 591 . 1 1 54 54 TYR H H 1 9.292 0.005 . 1 . . . A 376 TYR H . 17783 1 592 . 1 1 54 54 TYR HA H 1 5.422 0.007 . 1 . . . A 376 TYR HA . 17783 1 593 . 1 1 54 54 TYR HB2 H 1 3.302 0.008 . 2 . . . A 376 TYR HB2 . 17783 1 594 . 1 1 54 54 TYR HB3 H 1 2.603 0.012 . 2 . . . A 376 TYR HB3 . 17783 1 595 . 1 1 54 54 TYR HD1 H 1 6.802 0.008 . 3 . . . A 376 TYR HD1 . 17783 1 596 . 1 1 54 54 TYR HD2 H 1 6.802 0.008 . 3 . . . A 376 TYR HD2 . 17783 1 597 . 1 1 54 54 TYR HE1 H 1 6.593 0.010 . 3 . . . A 376 TYR HE1 . 17783 1 598 . 1 1 54 54 TYR HE2 H 1 6.593 0.010 . 3 . . . A 376 TYR HE2 . 17783 1 599 . 1 1 54 54 TYR C C 13 172.139 0.003 . 1 . . . A 376 TYR C . 17783 1 600 . 1 1 54 54 TYR CA C 13 55.129 0.067 . 1 . . . A 376 TYR CA . 17783 1 601 . 1 1 54 54 TYR CB C 13 41.657 0.074 . 1 . . . A 376 TYR CB . 17783 1 602 . 1 1 54 54 TYR CD1 C 13 133.392 0.054 . 3 . . . A 376 TYR CD1 . 17783 1 603 . 1 1 54 54 TYR CD2 C 13 133.392 0.054 . 3 . . . A 376 TYR CD2 . 17783 1 604 . 1 1 54 54 TYR CE1 C 13 117.976 0.060 . 3 . . . A 376 TYR CE1 . 17783 1 605 . 1 1 54 54 TYR CE2 C 13 117.976 0.060 . 3 . . . A 376 TYR CE2 . 17783 1 606 . 1 1 54 54 TYR N N 15 125.706 0.044 . 1 . . . A 376 TYR N . 17783 1 607 . 1 1 55 55 GLU H H 1 8.758 0.006 . 1 . . . A 377 GLU H . 17783 1 608 . 1 1 55 55 GLU HA H 1 4.714 0.010 . 1 . . . A 377 GLU HA . 17783 1 609 . 1 1 55 55 GLU HB2 H 1 2.084 0.009 . 2 . . . A 377 GLU HB2 . 17783 1 610 . 1 1 55 55 GLU HB3 H 1 2.084 0.009 . 2 . . . A 377 GLU HB3 . 17783 1 611 . 1 1 55 55 GLU HG2 H 1 2.197 0.011 . 2 . . . A 377 GLU HG2 . 17783 1 612 . 1 1 55 55 GLU HG3 H 1 1.931 0.014 . 2 . . . A 377 GLU HG3 . 17783 1 613 . 1 1 55 55 GLU C C 13 175.011 0.002 . 1 . . . A 377 GLU C . 17783 1 614 . 1 1 55 55 GLU CA C 13 55.143 0.066 . 1 . . . A 377 GLU CA . 17783 1 615 . 1 1 55 55 GLU CB C 13 32.659 0.063 . 1 . . . A 377 GLU CB . 17783 1 616 . 1 1 55 55 GLU CG C 13 36.497 0.069 . 1 . . . A 377 GLU CG . 17783 1 617 . 1 1 55 55 GLU N N 15 122.063 0.043 . 1 . . . A 377 GLU N . 17783 1 618 . 1 1 56 56 THR H H 1 9.160 0.007 . 1 . . . A 378 THR H . 17783 1 619 . 1 1 56 56 THR HA H 1 4.848 0.008 . 1 . . . A 378 THR HA . 17783 1 620 . 1 1 56 56 THR HB H 1 4.254 0.011 . 1 . . . A 378 THR HB . 17783 1 621 . 1 1 56 56 THR HG21 H 1 1.220 0.008 . 1 . . . A 378 THR HG21 . 17783 1 622 . 1 1 56 56 THR HG22 H 1 1.220 0.008 . 1 . . . A 378 THR HG22 . 17783 1 623 . 1 1 56 56 THR HG23 H 1 1.220 0.008 . 1 . . . A 378 THR HG23 . 17783 1 624 . 1 1 56 56 THR C C 13 173.550 0.014 . 1 . . . A 378 THR C . 17783 1 625 . 1 1 56 56 THR CA C 13 58.732 0.094 . 1 . . . A 378 THR CA . 17783 1 626 . 1 1 56 56 THR CB C 13 70.181 0.091 . 1 . . . A 378 THR CB . 17783 1 627 . 1 1 56 56 THR CG2 C 13 19.617 0.114 . 1 . . . A 378 THR CG2 . 17783 1 628 . 1 1 56 56 THR N N 15 122.855 0.047 . 1 . . . A 378 THR N . 17783 1 629 . 1 1 57 57 THR H H 1 8.677 0.005 . 1 . . . A 379 THR H . 17783 1 630 . 1 1 57 57 THR HA H 1 5.145 0.011 . 1 . . . A 379 THR HA . 17783 1 631 . 1 1 57 57 THR HB H 1 3.758 0.010 . 1 . . . A 379 THR HB . 17783 1 632 . 1 1 57 57 THR HG21 H 1 0.999 0.008 . 1 . . . A 379 THR HG21 . 17783 1 633 . 1 1 57 57 THR HG22 H 1 0.999 0.008 . 1 . . . A 379 THR HG22 . 17783 1 634 . 1 1 57 57 THR HG23 H 1 0.999 0.008 . 1 . . . A 379 THR HG23 . 17783 1 635 . 1 1 57 57 THR C C 13 173.973 0.005 . 1 . . . A 379 THR C . 17783 1 636 . 1 1 57 57 THR CA C 13 60.517 0.069 . 1 . . . A 379 THR CA . 17783 1 637 . 1 1 57 57 THR CB C 13 71.582 0.159 . 1 . . . A 379 THR CB . 17783 1 638 . 1 1 57 57 THR CG2 C 13 21.292 0.084 . 1 . . . A 379 THR CG2 . 17783 1 639 . 1 1 57 57 THR N N 15 116.629 0.039 . 1 . . . A 379 THR N . 17783 1 640 . 1 1 58 58 ARG H H 1 9.117 0.008 . 1 . . . A 380 ARG H . 17783 1 641 . 1 1 58 58 ARG HA H 1 4.308 0.012 . 1 . . . A 380 ARG HA . 17783 1 642 . 1 1 58 58 ARG HB2 H 1 1.177 0.011 . 2 . . . A 380 ARG HB2 . 17783 1 643 . 1 1 58 58 ARG HB3 H 1 1.004 0.026 . 2 . . . A 380 ARG HB3 . 17783 1 644 . 1 1 58 58 ARG HG2 H 1 0.927 0.019 . 2 . . . A 380 ARG HG2 . 17783 1 645 . 1 1 58 58 ARG HG3 H 1 0.889 0.025 . 2 . . . A 380 ARG HG3 . 17783 1 646 . 1 1 58 58 ARG HD2 H 1 1.833 0.009 . 2 . . . A 380 ARG HD2 . 17783 1 647 . 1 1 58 58 ARG HD3 H 1 1.832 0.010 . 2 . . . A 380 ARG HD3 . 17783 1 648 . 1 1 58 58 ARG HE H 1 6.446 0.024 . 1 . . . A 380 ARG HE . 17783 1 649 . 1 1 58 58 ARG C C 13 176.074 0.000 . 1 . . . A 380 ARG C . 17783 1 650 . 1 1 58 58 ARG CA C 13 55.510 0.068 . 1 . . . A 380 ARG CA . 17783 1 651 . 1 1 58 58 ARG CB C 13 32.473 0.058 . 1 . . . A 380 ARG CB . 17783 1 652 . 1 1 58 58 ARG CG C 13 26.696 0.118 . 1 . . . A 380 ARG CG . 17783 1 653 . 1 1 58 58 ARG CD C 13 42.073 0.056 . 1 . . . A 380 ARG CD . 17783 1 654 . 1 1 58 58 ARG N N 15 124.546 0.046 . 1 . . . A 380 ARG N . 17783 1 655 . 1 1 58 58 ARG NE N 15 84.408 0.027 . 1 . . . A 380 ARG NE . 17783 1 656 . 1 1 59 59 ASN HA H 1 4.306 0.011 . 1 . . . A 381 ASN HA . 17783 1 657 . 1 1 59 59 ASN HB2 H 1 2.973 0.017 . 2 . . . A 381 ASN HB2 . 17783 1 658 . 1 1 59 59 ASN HB3 H 1 2.688 0.009 . 2 . . . A 381 ASN HB3 . 17783 1 659 . 1 1 59 59 ASN HD21 H 1 6.777 0.005 . 1 . . . A 381 ASN HD21 . 17783 1 660 . 1 1 59 59 ASN HD22 H 1 7.477 0.005 . 1 . . . A 381 ASN HD22 . 17783 1 661 . 1 1 59 59 ASN C C 13 175.444 0.001 . 1 . . . A 381 ASN C . 17783 1 662 . 1 1 59 59 ASN CA C 13 54.237 0.077 . 1 . . . A 381 ASN CA . 17783 1 663 . 1 1 59 59 ASN CB C 13 37.213 0.065 . 1 . . . A 381 ASN CB . 17783 1 664 . 1 1 59 59 ASN CG C 13 177.940 0.008 . 1 . . . A 381 ASN CG . 17783 1 665 . 1 1 59 59 ASN ND2 N 15 112.647 0.229 . 1 . . . A 381 ASN ND2 . 17783 1 666 . 1 1 60 60 GLY H H 1 8.639 0.004 . 1 . . . A 382 GLY H . 17783 1 667 . 1 1 60 60 GLY HA2 H 1 4.121 0.013 . 2 . . . A 382 GLY HA2 . 17783 1 668 . 1 1 60 60 GLY HA3 H 1 3.576 0.014 . 2 . . . A 382 GLY HA3 . 17783 1 669 . 1 1 60 60 GLY C C 13 173.488 0.006 . 1 . . . A 382 GLY C . 17783 1 670 . 1 1 60 60 GLY CA C 13 45.473 0.066 . 1 . . . A 382 GLY CA . 17783 1 671 . 1 1 60 60 GLY N N 15 103.015 0.037 . 1 . . . A 382 GLY N . 17783 1 672 . 1 1 61 61 GLN H H 1 7.697 0.005 . 1 . . . A 383 GLN H . 17783 1 673 . 1 1 61 61 GLN HA H 1 5.000 0.008 . 1 . . . A 383 GLN HA . 17783 1 674 . 1 1 61 61 GLN HB2 H 1 2.338 0.017 . 2 . . . A 383 GLN HB2 . 17783 1 675 . 1 1 61 61 GLN HB3 H 1 2.010 0.010 . 2 . . . A 383 GLN HB3 . 17783 1 676 . 1 1 61 61 GLN HG2 H 1 2.467 0.016 . 2 . . . A 383 GLN HG2 . 17783 1 677 . 1 1 61 61 GLN HG3 H 1 2.453 0.016 . 2 . . . A 383 GLN HG3 . 17783 1 678 . 1 1 61 61 GLN HE21 H 1 6.940 0.005 . 1 . . . A 383 GLN HE21 . 17783 1 679 . 1 1 61 61 GLN HE22 H 1 7.569 0.005 . 1 . . . A 383 GLN HE22 . 17783 1 680 . 1 1 61 61 GLN C C 13 172.730 0.000 . 1 . . . A 383 GLN C . 17783 1 681 . 1 1 61 61 GLN CA C 13 52.691 0.085 . 1 . . . A 383 GLN CA . 17783 1 682 . 1 1 61 61 GLN CB C 13 30.711 0.060 . 1 . . . A 383 GLN CB . 17783 1 683 . 1 1 61 61 GLN CG C 13 33.243 0.059 . 1 . . . A 383 GLN CG . 17783 1 684 . 1 1 61 61 GLN CD C 13 180.596 0.040 . 1 . . . A 383 GLN CD . 17783 1 685 . 1 1 61 61 GLN N N 15 119.903 0.049 . 1 . . . A 383 GLN N . 17783 1 686 . 1 1 61 61 GLN NE2 N 15 111.987 0.256 . 1 . . . A 383 GLN NE2 . 17783 1 687 . 1 1 62 62 PRO HA H 1 4.614 0.008 . 1 . . . A 384 PRO HA . 17783 1 688 . 1 1 62 62 PRO HB2 H 1 2.256 0.009 . 2 . . . A 384 PRO HB2 . 17783 1 689 . 1 1 62 62 PRO HB3 H 1 1.879 0.012 . 2 . . . A 384 PRO HB3 . 17783 1 690 . 1 1 62 62 PRO HG2 H 1 2.196 0.011 . 2 . . . A 384 PRO HG2 . 17783 1 691 . 1 1 62 62 PRO HG3 H 1 1.970 0.015 . 2 . . . A 384 PRO HG3 . 17783 1 692 . 1 1 62 62 PRO HD2 H 1 3.707 0.012 . 2 . . . A 384 PRO HD2 . 17783 1 693 . 1 1 62 62 PRO HD3 H 1 3.915 0.012 . 2 . . . A 384 PRO HD3 . 17783 1 694 . 1 1 62 62 PRO C C 13 175.576 0.004 . 1 . . . A 384 PRO C . 17783 1 695 . 1 1 62 62 PRO CA C 13 64.002 0.074 . 1 . . . A 384 PRO CA . 17783 1 696 . 1 1 62 62 PRO CB C 13 32.545 0.101 . 1 . . . A 384 PRO CB . 17783 1 697 . 1 1 62 62 PRO CG C 13 28.240 0.078 . 1 . . . A 384 PRO CG . 17783 1 698 . 1 1 62 62 PRO CD C 13 50.895 0.081 . 1 . . . A 384 PRO CD . 17783 1 699 . 1 1 63 63 TRP H H 1 8.063 0.003 . 1 . . . A 385 TRP H . 17783 1 700 . 1 1 63 63 TRP HA H 1 4.511 0.010 . 1 . . . A 385 TRP HA . 17783 1 701 . 1 1 63 63 TRP HB2 H 1 2.913 0.007 . 2 . . . A 385 TRP HB2 . 17783 1 702 . 1 1 63 63 TRP HB3 H 1 2.482 0.009 . 2 . . . A 385 TRP HB3 . 17783 1 703 . 1 1 63 63 TRP HD1 H 1 6.562 0.009 . 1 . . . A 385 TRP HD1 . 17783 1 704 . 1 1 63 63 TRP HE1 H 1 9.876 0.004 . 1 . . . A 385 TRP HE1 . 17783 1 705 . 1 1 63 63 TRP HE3 H 1 7.641 0.005 . 1 . . . A 385 TRP HE3 . 17783 1 706 . 1 1 63 63 TRP HZ2 H 1 7.380 0.010 . 1 . . . A 385 TRP HZ2 . 17783 1 707 . 1 1 63 63 TRP HZ3 H 1 7.127 0.011 . 1 . . . A 385 TRP HZ3 . 17783 1 708 . 1 1 63 63 TRP HH2 H 1 7.152 0.012 . 1 . . . A 385 TRP HH2 . 17783 1 709 . 1 1 63 63 TRP C C 13 172.096 0.004 . 1 . . . A 385 TRP C . 17783 1 710 . 1 1 63 63 TRP CA C 13 56.082 0.084 . 1 . . . A 385 TRP CA . 17783 1 711 . 1 1 63 63 TRP CB C 13 34.174 0.062 . 1 . . . A 385 TRP CB . 17783 1 712 . 1 1 63 63 TRP CD1 C 13 126.037 0.079 . 1 . . . A 385 TRP CD1 . 17783 1 713 . 1 1 63 63 TRP CE3 C 13 120.584 0.059 . 1 . . . A 385 TRP CE3 . 17783 1 714 . 1 1 63 63 TRP CZ2 C 13 114.460 0.094 . 1 . . . A 385 TRP CZ2 . 17783 1 715 . 1 1 63 63 TRP CZ3 C 13 122.200 0.043 . 1 . . . A 385 TRP CZ3 . 17783 1 716 . 1 1 63 63 TRP CH2 C 13 119.315 0.070 . 1 . . . A 385 TRP CH2 . 17783 1 717 . 1 1 63 63 TRP N N 15 126.621 0.046 . 1 . . . A 385 TRP N . 17783 1 718 . 1 1 63 63 TRP NE1 N 15 127.722 0.034 . 1 . . . A 385 TRP NE1 . 17783 1 719 . 1 1 64 64 TYR H H 1 7.954 0.004 . 1 . . . A 386 TYR H . 17783 1 720 . 1 1 64 64 TYR HA H 1 5.218 0.008 . 1 . . . A 386 TYR HA . 17783 1 721 . 1 1 64 64 TYR HB2 H 1 2.441 0.019 . 2 . . . A 386 TYR HB2 . 17783 1 722 . 1 1 64 64 TYR HB3 H 1 2.400 0.023 . 2 . . . A 386 TYR HB3 . 17783 1 723 . 1 1 64 64 TYR HD1 H 1 6.786 0.011 . 3 . . . A 386 TYR HD1 . 17783 1 724 . 1 1 64 64 TYR HD2 H 1 6.786 0.011 . 3 . . . A 386 TYR HD2 . 17783 1 725 . 1 1 64 64 TYR HE1 H 1 6.792 0.011 . 3 . . . A 386 TYR HE1 . 17783 1 726 . 1 1 64 64 TYR HE2 H 1 6.792 0.011 . 3 . . . A 386 TYR HE2 . 17783 1 727 . 1 1 64 64 TYR C C 13 173.544 0.007 . 1 . . . A 386 TYR C . 17783 1 728 . 1 1 64 64 TYR CA C 13 56.769 0.067 . 1 . . . A 386 TYR CA . 17783 1 729 . 1 1 64 64 TYR CB C 13 40.433 0.086 . 1 . . . A 386 TYR CB . 17783 1 730 . 1 1 64 64 TYR CD1 C 13 133.244 0.062 . 3 . . . A 386 TYR CD1 . 17783 1 731 . 1 1 64 64 TYR CD2 C 13 133.244 0.062 . 3 . . . A 386 TYR CD2 . 17783 1 732 . 1 1 64 64 TYR CE1 C 13 118.229 0.058 . 3 . . . A 386 TYR CE1 . 17783 1 733 . 1 1 64 64 TYR CE2 C 13 118.229 0.058 . 3 . . . A 386 TYR CE2 . 17783 1 734 . 1 1 64 64 TYR N N 15 124.129 0.037 . 1 . . . A 386 TYR N . 17783 1 735 . 1 1 65 65 VAL H H 1 8.409 0.004 . 1 . . . A 387 VAL H . 17783 1 736 . 1 1 65 65 VAL HA H 1 3.863 0.009 . 1 . . . A 387 VAL HA . 17783 1 737 . 1 1 65 65 VAL HB H 1 0.574 0.019 . 1 . . . A 387 VAL HB . 17783 1 738 . 1 1 65 65 VAL HG11 H 1 0.543 0.014 . 2 . . . A 387 VAL HG11 . 17783 1 739 . 1 1 65 65 VAL HG12 H 1 0.543 0.014 . 2 . . . A 387 VAL HG12 . 17783 1 740 . 1 1 65 65 VAL HG13 H 1 0.543 0.014 . 2 . . . A 387 VAL HG13 . 17783 1 741 . 1 1 65 65 VAL HG21 H 1 0.694 0.013 . 2 . . . A 387 VAL HG21 . 17783 1 742 . 1 1 65 65 VAL HG22 H 1 0.694 0.013 . 2 . . . A 387 VAL HG22 . 17783 1 743 . 1 1 65 65 VAL HG23 H 1 0.694 0.013 . 2 . . . A 387 VAL HG23 . 17783 1 744 . 1 1 65 65 VAL C C 13 172.675 0.004 . 1 . . . A 387 VAL C . 17783 1 745 . 1 1 65 65 VAL CA C 13 61.257 0.069 . 1 . . . A 387 VAL CA . 17783 1 746 . 1 1 65 65 VAL CB C 13 34.133 0.096 . 1 . . . A 387 VAL CB . 17783 1 747 . 1 1 65 65 VAL CG1 C 13 21.153 0.075 . 2 . . . A 387 VAL CG1 . 17783 1 748 . 1 1 65 65 VAL CG2 C 13 21.991 0.081 . 2 . . . A 387 VAL CG2 . 17783 1 749 . 1 1 65 65 VAL N N 15 121.167 0.063 . 1 . . . A 387 VAL N . 17783 1 750 . 1 1 66 66 LEU H H 1 8.200 0.004 . 1 . . . A 388 LEU H . 17783 1 751 . 1 1 66 66 LEU HA H 1 5.423 0.006 . 1 . . . A 388 LEU HA . 17783 1 752 . 1 1 66 66 LEU HB2 H 1 1.776 0.010 . 2 . . . A 388 LEU HB2 . 17783 1 753 . 1 1 66 66 LEU HB3 H 1 1.197 0.011 . 2 . . . A 388 LEU HB3 . 17783 1 754 . 1 1 66 66 LEU HG H 1 1.476 0.012 . 1 . . . A 388 LEU HG . 17783 1 755 . 1 1 66 66 LEU HD11 H 1 0.769 0.012 . 2 . . . A 388 LEU HD11 . 17783 1 756 . 1 1 66 66 LEU HD12 H 1 0.769 0.012 . 2 . . . A 388 LEU HD12 . 17783 1 757 . 1 1 66 66 LEU HD13 H 1 0.769 0.012 . 2 . . . A 388 LEU HD13 . 17783 1 758 . 1 1 66 66 LEU HD21 H 1 0.867 0.015 . 2 . . . A 388 LEU HD21 . 17783 1 759 . 1 1 66 66 LEU HD22 H 1 0.867 0.015 . 2 . . . A 388 LEU HD22 . 17783 1 760 . 1 1 66 66 LEU HD23 H 1 0.867 0.015 . 2 . . . A 388 LEU HD23 . 17783 1 761 . 1 1 66 66 LEU CA C 13 53.496 0.059 . 1 . . . A 388 LEU CA . 17783 1 762 . 1 1 66 66 LEU CB C 13 44.755 0.073 . 1 . . . A 388 LEU CB . 17783 1 763 . 1 1 66 66 LEU CG C 13 28.250 0.098 . 1 . . . A 388 LEU CG . 17783 1 764 . 1 1 66 66 LEU CD1 C 13 26.141 0.078 . 2 . . . A 388 LEU CD1 . 17783 1 765 . 1 1 66 66 LEU CD2 C 13 27.704 0.070 . 2 . . . A 388 LEU CD2 . 17783 1 766 . 1 1 66 66 LEU N N 15 127.479 0.049 . 1 . . . A 388 LEU N . 17783 1 767 . 1 1 67 67 VAL H H 1 9.314 0.004 . 1 . . . A 389 VAL H . 17783 1 768 . 1 1 67 67 VAL HA H 1 5.840 0.007 . 1 . . . A 389 VAL HA . 17783 1 769 . 1 1 67 67 VAL HB H 1 2.694 0.006 . 1 . . . A 389 VAL HB . 17783 1 770 . 1 1 67 67 VAL HG11 H 1 0.876 0.012 . 2 . . . A 389 VAL HG11 . 17783 1 771 . 1 1 67 67 VAL HG12 H 1 0.876 0.012 . 2 . . . A 389 VAL HG12 . 17783 1 772 . 1 1 67 67 VAL HG13 H 1 0.876 0.012 . 2 . . . A 389 VAL HG13 . 17783 1 773 . 1 1 67 67 VAL HG21 H 1 0.945 0.012 . 2 . . . A 389 VAL HG21 . 17783 1 774 . 1 1 67 67 VAL HG22 H 1 0.945 0.012 . 2 . . . A 389 VAL HG22 . 17783 1 775 . 1 1 67 67 VAL HG23 H 1 0.945 0.012 . 2 . . . A 389 VAL HG23 . 17783 1 776 . 1 1 67 67 VAL C C 13 174.934 0.010 . 1 . . . A 389 VAL C . 17783 1 777 . 1 1 67 67 VAL CA C 13 57.827 0.056 . 1 . . . A 389 VAL CA . 17783 1 778 . 1 1 67 67 VAL CB C 13 33.693 0.056 . 1 . . . A 389 VAL CB . 17783 1 779 . 1 1 67 67 VAL CG1 C 13 22.346 0.077 . 2 . . . A 389 VAL CG1 . 17783 1 780 . 1 1 67 67 VAL CG2 C 13 19.644 0.068 . 2 . . . A 389 VAL CG2 . 17783 1 781 . 1 1 67 67 VAL N N 15 120.778 0.043 . 1 . . . A 389 VAL N . 17783 1 782 . 1 1 68 68 SER H H 1 8.803 0.003 . 1 . . . A 390 SER H . 17783 1 783 . 1 1 68 68 SER HA H 1 4.850 0.007 . 1 . . . A 390 SER HA . 17783 1 784 . 1 1 68 68 SER HB2 H 1 3.746 0.010 . 2 . . . A 390 SER HB2 . 17783 1 785 . 1 1 68 68 SER HB3 H 1 3.536 0.031 . 2 . . . A 390 SER HB3 . 17783 1 786 . 1 1 68 68 SER C C 13 174.691 0.001 . 1 . . . A 390 SER C . 17783 1 787 . 1 1 68 68 SER CA C 13 58.213 0.103 . 1 . . . A 390 SER CA . 17783 1 788 . 1 1 68 68 SER CB C 13 66.007 0.087 . 1 . . . A 390 SER CB . 17783 1 789 . 1 1 68 68 SER N N 15 113.588 0.043 . 1 . . . A 390 SER N . 17783 1 790 . 1 1 69 69 GLY H H 1 8.436 0.009 . 1 . . . A 391 GLY H . 17783 1 791 . 1 1 69 69 GLY HA2 H 1 4.389 0.013 . 2 . . . A 391 GLY HA2 . 17783 1 792 . 1 1 69 69 GLY HA3 H 1 3.555 0.010 . 2 . . . A 391 GLY HA3 . 17783 1 793 . 1 1 69 69 GLY C C 13 172.208 0.003 . 1 . . . A 391 GLY C . 17783 1 794 . 1 1 69 69 GLY CA C 13 44.325 0.098 . 1 . . . A 391 GLY CA . 17783 1 795 . 1 1 69 69 GLY N N 15 115.161 0.046 . 1 . . . A 391 GLY N . 17783 1 796 . 1 1 70 70 VAL H H 1 7.188 0.007 . 1 . . . A 392 VAL H . 17783 1 797 . 1 1 70 70 VAL HA H 1 4.480 0.011 . 1 . . . A 392 VAL HA . 17783 1 798 . 1 1 70 70 VAL HB H 1 1.707 0.010 . 1 . . . A 392 VAL HB . 17783 1 799 . 1 1 70 70 VAL HG11 H 1 0.723 0.014 . 2 . . . A 392 VAL HG11 . 17783 1 800 . 1 1 70 70 VAL HG12 H 1 0.723 0.014 . 2 . . . A 392 VAL HG12 . 17783 1 801 . 1 1 70 70 VAL HG13 H 1 0.723 0.014 . 2 . . . A 392 VAL HG13 . 17783 1 802 . 1 1 70 70 VAL HG21 H 1 0.845 0.010 . 2 . . . A 392 VAL HG21 . 17783 1 803 . 1 1 70 70 VAL HG22 H 1 0.845 0.010 . 2 . . . A 392 VAL HG22 . 17783 1 804 . 1 1 70 70 VAL HG23 H 1 0.845 0.010 . 2 . . . A 392 VAL HG23 . 17783 1 805 . 1 1 70 70 VAL C C 13 174.635 0.007 . 1 . . . A 392 VAL C . 17783 1 806 . 1 1 70 70 VAL CA C 13 62.203 0.089 . 1 . . . A 392 VAL CA . 17783 1 807 . 1 1 70 70 VAL CB C 13 34.237 0.096 . 1 . . . A 392 VAL CB . 17783 1 808 . 1 1 70 70 VAL CG1 C 13 21.327 0.076 . 2 . . . A 392 VAL CG1 . 17783 1 809 . 1 1 70 70 VAL CG2 C 13 22.188 0.085 . 2 . . . A 392 VAL CG2 . 17783 1 810 . 1 1 70 70 VAL N N 15 117.033 0.040 . 1 . . . A 392 VAL N . 17783 1 811 . 1 1 71 71 TYR H H 1 9.517 0.004 . 1 . . . A 393 TYR H . 17783 1 812 . 1 1 71 71 TYR HA H 1 4.801 0.012 . 1 . . . A 393 TYR HA . 17783 1 813 . 1 1 71 71 TYR HB2 H 1 3.052 0.012 . 2 . . . A 393 TYR HB2 . 17783 1 814 . 1 1 71 71 TYR HB3 H 1 2.431 0.011 . 2 . . . A 393 TYR HB3 . 17783 1 815 . 1 1 71 71 TYR HD1 H 1 6.884 0.008 . 3 . . . A 393 TYR HD1 . 17783 1 816 . 1 1 71 71 TYR HD2 H 1 6.884 0.008 . 3 . . . A 393 TYR HD2 . 17783 1 817 . 1 1 71 71 TYR HE1 H 1 6.883 0.007 . 3 . . . A 393 TYR HE1 . 17783 1 818 . 1 1 71 71 TYR HE2 H 1 6.883 0.007 . 3 . . . A 393 TYR HE2 . 17783 1 819 . 1 1 71 71 TYR C C 13 175.550 0.003 . 1 . . . A 393 TYR C . 17783 1 820 . 1 1 71 71 TYR CA C 13 56.285 0.067 . 1 . . . A 393 TYR CA . 17783 1 821 . 1 1 71 71 TYR CB C 13 42.543 0.080 . 1 . . . A 393 TYR CB . 17783 1 822 . 1 1 71 71 TYR CD1 C 13 133.254 0.070 . 3 . . . A 393 TYR CD1 . 17783 1 823 . 1 1 71 71 TYR CD2 C 13 133.254 0.070 . 3 . . . A 393 TYR CD2 . 17783 1 824 . 1 1 71 71 TYR CE1 C 13 117.893 0.125 . 3 . . . A 393 TYR CE1 . 17783 1 825 . 1 1 71 71 TYR CE2 C 13 117.893 0.125 . 3 . . . A 393 TYR CE2 . 17783 1 826 . 1 1 71 71 TYR N N 15 124.867 0.046 . 1 . . . A 393 TYR N . 17783 1 827 . 1 1 72 72 ALA H H 1 8.984 0.009 . 1 . . . A 394 ALA H . 17783 1 828 . 1 1 72 72 ALA HA H 1 2.771 0.020 . 1 . . . A 394 ALA HA . 17783 1 829 . 1 1 72 72 ALA HB1 H 1 1.274 0.010 . 1 . . . A 394 ALA HB1 . 17783 1 830 . 1 1 72 72 ALA HB2 H 1 1.274 0.010 . 1 . . . A 394 ALA HB2 . 17783 1 831 . 1 1 72 72 ALA HB3 H 1 1.274 0.010 . 1 . . . A 394 ALA HB3 . 17783 1 832 . 1 1 72 72 ALA C C 13 175.911 0.023 . 1 . . . A 394 ALA C . 17783 1 833 . 1 1 72 72 ALA CA C 13 53.257 0.089 . 1 . . . A 394 ALA CA . 17783 1 834 . 1 1 72 72 ALA CB C 13 19.021 0.084 . 1 . . . A 394 ALA CB . 17783 1 835 . 1 1 72 72 ALA N N 15 124.217 0.132 . 1 . . . A 394 ALA N . 17783 1 836 . 1 1 73 73 SER H H 1 7.251 0.005 . 1 . . . A 395 SER H . 17783 1 837 . 1 1 73 73 SER HA H 1 4.769 0.010 . 1 . . . A 395 SER HA . 17783 1 838 . 1 1 73 73 SER HB2 H 1 4.211 0.012 . 2 . . . A 395 SER HB2 . 17783 1 839 . 1 1 73 73 SER HB3 H 1 3.905 0.009 . 2 . . . A 395 SER HB3 . 17783 1 840 . 1 1 73 73 SER C C 13 173.686 0.001 . 1 . . . A 395 SER C . 17783 1 841 . 1 1 73 73 SER CA C 13 56.031 0.065 . 1 . . . A 395 SER CA . 17783 1 842 . 1 1 73 73 SER CB C 13 66.773 0.069 . 1 . . . A 395 SER CB . 17783 1 843 . 1 1 73 73 SER N N 15 106.325 0.046 . 1 . . . A 395 SER N . 17783 1 844 . 1 1 74 74 LYS H H 1 8.742 0.004 . 1 . . . A 396 LYS H . 17783 1 845 . 1 1 74 74 LYS HA H 1 2.894 0.010 . 1 . . . A 396 LYS HA . 17783 1 846 . 1 1 74 74 LYS HB2 H 1 1.332 0.012 . 2 . . . A 396 LYS HB2 . 17783 1 847 . 1 1 74 74 LYS HB3 H 1 1.165 0.016 . 2 . . . A 396 LYS HB3 . 17783 1 848 . 1 1 74 74 LYS HG2 H 1 0.869 0.009 . 2 . . . A 396 LYS HG2 . 17783 1 849 . 1 1 74 74 LYS HG3 H 1 0.869 0.009 . 2 . . . A 396 LYS HG3 . 17783 1 850 . 1 1 74 74 LYS HD2 H 1 1.621 0.006 . 2 . . . A 396 LYS HD2 . 17783 1 851 . 1 1 74 74 LYS HD3 H 1 1.621 0.005 . 2 . . . A 396 LYS HD3 . 17783 1 852 . 1 1 74 74 LYS HE2 H 1 2.963 0.017 . 1 . . . A 396 LYS HE2 . 17783 1 853 . 1 1 74 74 LYS HE3 H 1 2.963 0.017 . 1 . . . A 396 LYS HE3 . 17783 1 854 . 1 1 74 74 LYS C C 13 178.040 0.001 . 1 . . . A 396 LYS C . 17783 1 855 . 1 1 74 74 LYS CA C 13 59.543 0.082 . 1 . . . A 396 LYS CA . 17783 1 856 . 1 1 74 74 LYS CB C 13 31.636 0.065 . 1 . . . A 396 LYS CB . 17783 1 857 . 1 1 74 74 LYS CG C 13 25.169 0.086 . 1 . . . A 396 LYS CG . 17783 1 858 . 1 1 74 74 LYS CD C 13 29.422 0.108 . 1 . . . A 396 LYS CD . 17783 1 859 . 1 1 74 74 LYS CE C 13 41.864 0.054 . 1 . . . A 396 LYS CE . 17783 1 860 . 1 1 74 74 LYS N N 15 123.531 0.038 . 1 . . . A 396 LYS N . 17783 1 861 . 1 1 75 75 GLU H H 1 8.529 0.008 . 1 . . . A 397 GLU H . 17783 1 862 . 1 1 75 75 GLU HA H 1 3.814 0.010 . 1 . . . A 397 GLU HA . 17783 1 863 . 1 1 75 75 GLU HB2 H 1 2.019 0.014 . 2 . . . A 397 GLU HB2 . 17783 1 864 . 1 1 75 75 GLU HB3 H 1 1.844 0.008 . 2 . . . A 397 GLU HB3 . 17783 1 865 . 1 1 75 75 GLU HG2 H 1 2.352 0.011 . 2 . . . A 397 GLU HG2 . 17783 1 866 . 1 1 75 75 GLU HG3 H 1 2.183 0.011 . 2 . . . A 397 GLU HG3 . 17783 1 867 . 1 1 75 75 GLU C C 13 179.136 0.008 . 1 . . . A 397 GLU C . 17783 1 868 . 1 1 75 75 GLU CA C 13 60.077 0.096 . 1 . . . A 397 GLU CA . 17783 1 869 . 1 1 75 75 GLU CB C 13 28.748 0.054 . 1 . . . A 397 GLU CB . 17783 1 870 . 1 1 75 75 GLU CG C 13 36.846 0.105 . 1 . . . A 397 GLU CG . 17783 1 871 . 1 1 75 75 GLU N N 15 118.740 0.049 . 1 . . . A 397 GLU N . 17783 1 872 . 1 1 76 76 GLU H H 1 7.804 0.004 . 1 . . . A 398 GLU H . 17783 1 873 . 1 1 76 76 GLU HA H 1 3.835 0.010 . 1 . . . A 398 GLU HA . 17783 1 874 . 1 1 76 76 GLU HB2 H 1 2.167 0.032 . 2 . . . A 398 GLU HB2 . 17783 1 875 . 1 1 76 76 GLU HB3 H 1 2.056 0.025 . 2 . . . A 398 GLU HB3 . 17783 1 876 . 1 1 76 76 GLU HG2 H 1 2.361 0.022 . 2 . . . A 398 GLU HG2 . 17783 1 877 . 1 1 76 76 GLU HG3 H 1 2.292 0.020 . 2 . . . A 398 GLU HG3 . 17783 1 878 . 1 1 76 76 GLU C C 13 178.564 0.009 . 1 . . . A 398 GLU C . 17783 1 879 . 1 1 76 76 GLU CA C 13 59.362 0.095 . 1 . . . A 398 GLU CA . 17783 1 880 . 1 1 76 76 GLU CB C 13 30.431 0.063 . 1 . . . A 398 GLU CB . 17783 1 881 . 1 1 76 76 GLU CG C 13 37.263 0.085 . 1 . . . A 398 GLU CG . 17783 1 882 . 1 1 76 76 GLU N N 15 119.987 0.050 . 1 . . . A 398 GLU N . 17783 1 883 . 1 1 77 77 ALA H H 1 7.294 0.008 . 1 . . . A 399 ALA H . 17783 1 884 . 1 1 77 77 ALA HA H 1 2.588 0.006 . 1 . . . A 399 ALA HA . 17783 1 885 . 1 1 77 77 ALA HB1 H 1 0.991 0.007 . 1 . . . A 399 ALA HB1 . 17783 1 886 . 1 1 77 77 ALA HB2 H 1 0.991 0.007 . 1 . . . A 399 ALA HB2 . 17783 1 887 . 1 1 77 77 ALA HB3 H 1 0.991 0.007 . 1 . . . A 399 ALA HB3 . 17783 1 888 . 1 1 77 77 ALA C C 13 177.764 0.002 . 1 . . . A 399 ALA C . 17783 1 889 . 1 1 77 77 ALA CA C 13 54.361 0.061 . 1 . . . A 399 ALA CA . 17783 1 890 . 1 1 77 77 ALA CB C 13 17.665 0.057 . 1 . . . A 399 ALA CB . 17783 1 891 . 1 1 77 77 ALA N N 15 122.630 0.042 . 1 . . . A 399 ALA N . 17783 1 892 . 1 1 78 78 LYS H H 1 8.001 0.005 . 1 . . . A 400 LYS H . 17783 1 893 . 1 1 78 78 LYS HA H 1 3.770 0.012 . 1 . . . A 400 LYS HA . 17783 1 894 . 1 1 78 78 LYS HB2 H 1 1.777 0.009 . 2 . . . A 400 LYS HB2 . 17783 1 895 . 1 1 78 78 LYS HB3 H 1 1.777 0.009 . 2 . . . A 400 LYS HB3 . 17783 1 896 . 1 1 78 78 LYS HG2 H 1 1.540 0.011 . 2 . . . A 400 LYS HG2 . 17783 1 897 . 1 1 78 78 LYS HG3 H 1 1.374 0.009 . 2 . . . A 400 LYS HG3 . 17783 1 898 . 1 1 78 78 LYS HD2 H 1 1.632 0.009 . 2 . . . A 400 LYS HD2 . 17783 1 899 . 1 1 78 78 LYS HD3 H 1 1.619 0.008 . 2 . . . A 400 LYS HD3 . 17783 1 900 . 1 1 78 78 LYS HE2 H 1 2.910 0.010 . 2 . . . A 400 LYS HE2 . 17783 1 901 . 1 1 78 78 LYS HE3 H 1 2.900 0.007 . 2 . . . A 400 LYS HE3 . 17783 1 902 . 1 1 78 78 LYS C C 13 180.700 0.011 . 1 . . . A 400 LYS C . 17783 1 903 . 1 1 78 78 LYS CA C 13 59.542 0.074 . 1 . . . A 400 LYS CA . 17783 1 904 . 1 1 78 78 LYS CB C 13 31.833 0.082 . 1 . . . A 400 LYS CB . 17783 1 905 . 1 1 78 78 LYS CG C 13 25.454 0.057 . 1 . . . A 400 LYS CG . 17783 1 906 . 1 1 78 78 LYS CD C 13 29.070 0.050 . 1 . . . A 400 LYS CD . 17783 1 907 . 1 1 78 78 LYS CE C 13 41.800 0.023 . 1 . . . A 400 LYS CE . 17783 1 908 . 1 1 78 78 LYS N N 15 115.403 0.065 . 1 . . . A 400 LYS N . 17783 1 909 . 1 1 79 79 LYS H H 1 7.788 0.005 . 1 . . . A 401 LYS H . 17783 1 910 . 1 1 79 79 LYS HA H 1 3.969 0.011 . 1 . . . A 401 LYS HA . 17783 1 911 . 1 1 79 79 LYS HB2 H 1 1.805 0.009 . 2 . . . A 401 LYS HB2 . 17783 1 912 . 1 1 79 79 LYS HB3 H 1 1.805 0.009 . 2 . . . A 401 LYS HB3 . 17783 1 913 . 1 1 79 79 LYS HG2 H 1 1.550 0.022 . 2 . . . A 401 LYS HG2 . 17783 1 914 . 1 1 79 79 LYS HG3 H 1 1.408 0.014 . 2 . . . A 401 LYS HG3 . 17783 1 915 . 1 1 79 79 LYS HD2 H 1 1.625 0.005 . 1 . . . A 401 LYS HD2 . 17783 1 916 . 1 1 79 79 LYS HD3 H 1 1.625 0.005 . 1 . . . A 401 LYS HD3 . 17783 1 917 . 1 1 79 79 LYS HE2 H 1 2.910 0.020 . 2 . . . A 401 LYS HE2 . 17783 1 918 . 1 1 79 79 LYS HE3 H 1 2.910 0.020 . 2 . . . A 401 LYS HE3 . 17783 1 919 . 1 1 79 79 LYS C C 13 178.347 0.007 . 1 . . . A 401 LYS C . 17783 1 920 . 1 1 79 79 LYS CA C 13 58.976 0.065 . 1 . . . A 401 LYS CA . 17783 1 921 . 1 1 79 79 LYS CB C 13 32.298 0.055 . 1 . . . A 401 LYS CB . 17783 1 922 . 1 1 79 79 LYS CG C 13 25.281 0.051 . 1 . . . A 401 LYS CG . 17783 1 923 . 1 1 79 79 LYS CD C 13 29.199 0.053 . 1 . . . A 401 LYS CD . 17783 1 924 . 1 1 79 79 LYS CE C 13 41.895 0.098 . 1 . . . A 401 LYS CE . 17783 1 925 . 1 1 79 79 LYS N N 15 119.756 0.099 . 1 . . . A 401 LYS N . 17783 1 926 . 1 1 80 80 ALA H H 1 7.334 0.004 . 1 . . . A 402 ALA H . 17783 1 927 . 1 1 80 80 ALA HA H 1 4.143 0.007 . 1 . . . A 402 ALA HA . 17783 1 928 . 1 1 80 80 ALA HB1 H 1 1.322 0.011 . 1 . . . A 402 ALA HB1 . 17783 1 929 . 1 1 80 80 ALA HB2 H 1 1.322 0.011 . 1 . . . A 402 ALA HB2 . 17783 1 930 . 1 1 80 80 ALA HB3 H 1 1.322 0.011 . 1 . . . A 402 ALA HB3 . 17783 1 931 . 1 1 80 80 ALA C C 13 180.118 0.002 . 1 . . . A 402 ALA C . 17783 1 932 . 1 1 80 80 ALA CA C 13 53.772 0.068 . 1 . . . A 402 ALA CA . 17783 1 933 . 1 1 80 80 ALA CB C 13 18.469 0.080 . 1 . . . A 402 ALA CB . 17783 1 934 . 1 1 80 80 ALA N N 15 120.725 0.046 . 1 . . . A 402 ALA N . 17783 1 935 . 1 1 81 81 VAL H H 1 7.480 0.003 . 1 . . . A 403 VAL H . 17783 1 936 . 1 1 81 81 VAL HA H 1 3.362 0.008 . 1 . . . A 403 VAL HA . 17783 1 937 . 1 1 81 81 VAL HB H 1 2.195 0.006 . 1 . . . A 403 VAL HB . 17783 1 938 . 1 1 81 81 VAL HG11 H 1 0.964 0.024 . 2 . . . A 403 VAL HG11 . 17783 1 939 . 1 1 81 81 VAL HG12 H 1 0.964 0.024 . 2 . . . A 403 VAL HG12 . 17783 1 940 . 1 1 81 81 VAL HG13 H 1 0.964 0.024 . 2 . . . A 403 VAL HG13 . 17783 1 941 . 1 1 81 81 VAL HG21 H 1 1.061 0.019 . 2 . . . A 403 VAL HG21 . 17783 1 942 . 1 1 81 81 VAL HG22 H 1 1.061 0.019 . 2 . . . A 403 VAL HG22 . 17783 1 943 . 1 1 81 81 VAL HG23 H 1 1.061 0.019 . 2 . . . A 403 VAL HG23 . 17783 1 944 . 1 1 81 81 VAL C C 13 177.205 0.009 . 1 . . . A 403 VAL C . 17783 1 945 . 1 1 81 81 VAL CA C 13 66.728 0.066 . 1 . . . A 403 VAL CA . 17783 1 946 . 1 1 81 81 VAL CB C 13 31.733 0.102 . 1 . . . A 403 VAL CB . 17783 1 947 . 1 1 81 81 VAL CG1 C 13 22.146 0.064 . 2 . . . A 403 VAL CG1 . 17783 1 948 . 1 1 81 81 VAL CG2 C 13 24.706 0.069 . 2 . . . A 403 VAL CG2 . 17783 1 949 . 1 1 81 81 VAL N N 15 120.431 0.057 . 1 . . . A 403 VAL N . 17783 1 950 . 1 1 82 82 SER H H 1 7.326 0.006 . 1 . . . A 404 SER H . 17783 1 951 . 1 1 82 82 SER HA H 1 4.143 0.012 . 1 . . . A 404 SER HA . 17783 1 952 . 1 1 82 82 SER HB2 H 1 3.990 0.007 . 2 . . . A 404 SER HB2 . 17783 1 953 . 1 1 82 82 SER HB3 H 1 3.988 0.010 . 2 . . . A 404 SER HB3 . 17783 1 954 . 1 1 82 82 SER C C 13 174.813 0.015 . 1 . . . A 404 SER C . 17783 1 955 . 1 1 82 82 SER CA C 13 60.751 0.064 . 1 . . . A 404 SER CA . 17783 1 956 . 1 1 82 82 SER CB C 13 63.287 0.066 . 1 . . . A 404 SER CB . 17783 1 957 . 1 1 82 82 SER N N 15 110.126 0.041 . 1 . . . A 404 SER N . 17783 1 958 . 1 1 83 83 THR H H 1 7.634 0.009 . 1 . . . A 405 THR H . 17783 1 959 . 1 1 83 83 THR HA H 1 4.461 0.013 . 1 . . . A 405 THR HA . 17783 1 960 . 1 1 83 83 THR HB H 1 4.443 0.016 . 1 . . . A 405 THR HB . 17783 1 961 . 1 1 83 83 THR HG1 H 1 4.969 0.000 . 1 . . . A 405 THR HG1 . 17783 1 962 . 1 1 83 83 THR HG21 H 1 1.229 0.008 . 1 . . . A 405 THR HG21 . 17783 1 963 . 1 1 83 83 THR HG22 H 1 1.229 0.008 . 1 . . . A 405 THR HG22 . 17783 1 964 . 1 1 83 83 THR HG23 H 1 1.229 0.008 . 1 . . . A 405 THR HG23 . 17783 1 965 . 1 1 83 83 THR C C 13 175.081 0.000 . 1 . . . A 405 THR C . 17783 1 966 . 1 1 83 83 THR CA C 13 61.761 0.086 . 1 . . . A 405 THR CA . 17783 1 967 . 1 1 83 83 THR CB C 13 69.795 0.105 . 1 . . . A 405 THR CB . 17783 1 968 . 1 1 83 83 THR CG2 C 13 21.731 0.105 . 1 . . . A 405 THR CG2 . 17783 1 969 . 1 1 83 83 THR N N 15 110.438 0.039 . 1 . . . A 405 THR N . 17783 1 970 . 1 1 84 84 LEU H H 1 7.478 0.004 . 1 . . . A 406 LEU H . 17783 1 971 . 1 1 84 84 LEU HA H 1 4.640 0.007 . 1 . . . A 406 LEU HA . 17783 1 972 . 1 1 84 84 LEU HB2 H 1 1.920 0.013 . 2 . . . A 406 LEU HB2 . 17783 1 973 . 1 1 84 84 LEU HB3 H 1 1.226 0.012 . 2 . . . A 406 LEU HB3 . 17783 1 974 . 1 1 84 84 LEU HG H 1 1.933 0.010 . 1 . . . A 406 LEU HG . 17783 1 975 . 1 1 84 84 LEU HD11 H 1 0.886 0.012 . 2 . . . A 406 LEU HD11 . 17783 1 976 . 1 1 84 84 LEU HD12 H 1 0.886 0.012 . 2 . . . A 406 LEU HD12 . 17783 1 977 . 1 1 84 84 LEU HD13 H 1 0.886 0.012 . 2 . . . A 406 LEU HD13 . 17783 1 978 . 1 1 84 84 LEU HD21 H 1 0.892 0.010 . 2 . . . A 406 LEU HD21 . 17783 1 979 . 1 1 84 84 LEU HD22 H 1 0.892 0.010 . 2 . . . A 406 LEU HD22 . 17783 1 980 . 1 1 84 84 LEU HD23 H 1 0.892 0.010 . 2 . . . A 406 LEU HD23 . 17783 1 981 . 1 1 84 84 LEU C C 13 174.599 0.000 . 1 . . . A 406 LEU C . 17783 1 982 . 1 1 84 84 LEU CA C 13 53.295 0.070 . 1 . . . A 406 LEU CA . 17783 1 983 . 1 1 84 84 LEU CB C 13 40.709 0.071 . 1 . . . A 406 LEU CB . 17783 1 984 . 1 1 84 84 LEU CG C 13 26.414 0.086 . 1 . . . A 406 LEU CG . 17783 1 985 . 1 1 84 84 LEU CD1 C 13 21.823 0.056 . 2 . . . A 406 LEU CD1 . 17783 1 986 . 1 1 84 84 LEU CD2 C 13 27.135 0.063 . 2 . . . A 406 LEU CD2 . 17783 1 987 . 1 1 84 84 LEU N N 15 123.244 0.048 . 1 . . . A 406 LEU N . 17783 1 988 . 1 1 85 85 PRO HA H 1 4.493 0.008 . 1 . . . A 407 PRO HA . 17783 1 989 . 1 1 85 85 PRO HB2 H 1 2.634 0.007 . 2 . . . A 407 PRO HB2 . 17783 1 990 . 1 1 85 85 PRO HB3 H 1 1.790 0.010 . 2 . . . A 407 PRO HB3 . 17783 1 991 . 1 1 85 85 PRO HG2 H 1 2.169 0.006 . 2 . . . A 407 PRO HG2 . 17783 1 992 . 1 1 85 85 PRO HG3 H 1 2.169 0.006 . 2 . . . A 407 PRO HG3 . 17783 1 993 . 1 1 85 85 PRO HD2 H 1 3.140 0.008 . 2 . . . A 407 PRO HD2 . 17783 1 994 . 1 1 85 85 PRO HD3 H 1 4.063 0.012 . 2 . . . A 407 PRO HD3 . 17783 1 995 . 1 1 85 85 PRO C C 13 177.743 0.001 . 1 . . . A 407 PRO C . 17783 1 996 . 1 1 85 85 PRO CA C 13 63.144 0.066 . 1 . . . A 407 PRO CA . 17783 1 997 . 1 1 85 85 PRO CB C 13 32.921 0.085 . 1 . . . A 407 PRO CB . 17783 1 998 . 1 1 85 85 PRO CG C 13 28.362 0.127 . 1 . . . A 407 PRO CG . 17783 1 999 . 1 1 85 85 PRO CD C 13 50.490 0.061 . 1 . . . A 407 PRO CD . 17783 1 1000 . 1 1 86 86 ALA H H 1 9.168 0.004 . 1 . . . A 408 ALA H . 17783 1 1001 . 1 1 86 86 ALA HA H 1 3.946 0.013 . 1 . . . A 408 ALA HA . 17783 1 1002 . 1 1 86 86 ALA HB1 H 1 1.497 0.013 . 1 . . . A 408 ALA HB1 . 17783 1 1003 . 1 1 86 86 ALA HB2 H 1 1.497 0.013 . 1 . . . A 408 ALA HB2 . 17783 1 1004 . 1 1 86 86 ALA HB3 H 1 1.497 0.013 . 1 . . . A 408 ALA HB3 . 17783 1 1005 . 1 1 86 86 ALA C C 13 180.517 0.002 . 1 . . . A 408 ALA C . 17783 1 1006 . 1 1 86 86 ALA CA C 13 56.505 0.077 . 1 . . . A 408 ALA CA . 17783 1 1007 . 1 1 86 86 ALA CB C 13 18.345 0.052 . 1 . . . A 408 ALA CB . 17783 1 1008 . 1 1 86 86 ALA N N 15 128.809 0.034 . 1 . . . A 408 ALA N . 17783 1 1009 . 1 1 87 87 ASP H H 1 9.359 0.009 . 1 . . . A 409 ASP H . 17783 1 1010 . 1 1 87 87 ASP HA H 1 4.462 0.011 . 1 . . . A 409 ASP HA . 17783 1 1011 . 1 1 87 87 ASP HB2 H 1 2.741 0.011 . 2 . . . A 409 ASP HB2 . 17783 1 1012 . 1 1 87 87 ASP HB3 H 1 2.740 0.011 . 2 . . . A 409 ASP HB3 . 17783 1 1013 . 1 1 87 87 ASP C C 13 178.081 0.007 . 1 . . . A 409 ASP C . 17783 1 1014 . 1 1 87 87 ASP CA C 13 56.935 0.072 . 1 . . . A 409 ASP CA . 17783 1 1015 . 1 1 87 87 ASP CB C 13 40.359 0.098 . 1 . . . A 409 ASP CB . 17783 1 1016 . 1 1 87 87 ASP N N 15 116.520 0.060 . 1 . . . A 409 ASP N . 17783 1 1017 . 1 1 88 88 VAL H H 1 7.355 0.004 . 1 . . . A 410 VAL H . 17783 1 1018 . 1 1 88 88 VAL HA H 1 4.089 0.010 . 1 . . . A 410 VAL HA . 17783 1 1019 . 1 1 88 88 VAL HB H 1 2.265 0.014 . 1 . . . A 410 VAL HB . 17783 1 1020 . 1 1 88 88 VAL HG11 H 1 0.706 0.009 . 2 . . . A 410 VAL HG11 . 17783 1 1021 . 1 1 88 88 VAL HG12 H 1 0.706 0.009 . 2 . . . A 410 VAL HG12 . 17783 1 1022 . 1 1 88 88 VAL HG13 H 1 0.706 0.009 . 2 . . . A 410 VAL HG13 . 17783 1 1023 . 1 1 88 88 VAL HG21 H 1 1.103 0.011 . 2 . . . A 410 VAL HG21 . 17783 1 1024 . 1 1 88 88 VAL HG22 H 1 1.103 0.011 . 2 . . . A 410 VAL HG22 . 17783 1 1025 . 1 1 88 88 VAL HG23 H 1 1.103 0.011 . 2 . . . A 410 VAL HG23 . 17783 1 1026 . 1 1 88 88 VAL C C 13 178.675 0.009 . 1 . . . A 410 VAL C . 17783 1 1027 . 1 1 88 88 VAL CA C 13 64.875 0.063 . 1 . . . A 410 VAL CA . 17783 1 1028 . 1 1 88 88 VAL CB C 13 31.285 0.110 . 1 . . . A 410 VAL CB . 17783 1 1029 . 1 1 88 88 VAL CG1 C 13 22.058 0.051 . 2 . . . A 410 VAL CG1 . 17783 1 1030 . 1 1 88 88 VAL CG2 C 13 24.225 0.104 . 2 . . . A 410 VAL CG2 . 17783 1 1031 . 1 1 88 88 VAL N N 15 117.452 0.039 . 1 . . . A 410 VAL N . 17783 1 1032 . 1 1 89 89 GLN H H 1 8.271 0.003 . 1 . . . A 411 GLN H . 17783 1 1033 . 1 1 89 89 GLN HA H 1 3.644 0.012 . 1 . . . A 411 GLN HA . 17783 1 1034 . 1 1 89 89 GLN HB2 H 1 2.200 0.017 . 2 . . . A 411 GLN HB2 . 17783 1 1035 . 1 1 89 89 GLN HB3 H 1 2.063 0.012 . 2 . . . A 411 GLN HB3 . 17783 1 1036 . 1 1 89 89 GLN HG2 H 1 2.357 0.011 . 2 . . . A 411 GLN HG2 . 17783 1 1037 . 1 1 89 89 GLN HG3 H 1 2.192 0.011 . 2 . . . A 411 GLN HG3 . 17783 1 1038 . 1 1 89 89 GLN HE21 H 1 6.650 0.010 . 1 . . . A 411 GLN HE21 . 17783 1 1039 . 1 1 89 89 GLN HE22 H 1 7.889 0.007 . 1 . . . A 411 GLN HE22 . 17783 1 1040 . 1 1 89 89 GLN C C 13 179.168 0.002 . 1 . . . A 411 GLN C . 17783 1 1041 . 1 1 89 89 GLN CA C 13 60.712 0.066 . 1 . . . A 411 GLN CA . 17783 1 1042 . 1 1 89 89 GLN CB C 13 28.510 0.064 . 1 . . . A 411 GLN CB . 17783 1 1043 . 1 1 89 89 GLN CG C 13 35.396 0.082 . 1 . . . A 411 GLN CG . 17783 1 1044 . 1 1 89 89 GLN N N 15 119.387 0.043 . 1 . . . A 411 GLN N . 17783 1 1045 . 1 1 89 89 GLN NE2 N 15 113.726 0.190 . 1 . . . A 411 GLN NE2 . 17783 1 1046 . 1 1 90 90 ALA H H 1 7.794 0.007 . 1 . . . A 412 ALA H . 17783 1 1047 . 1 1 90 90 ALA HA H 1 4.265 0.009 . 1 . . . A 412 ALA HA . 17783 1 1048 . 1 1 90 90 ALA HB1 H 1 1.536 0.014 . 1 . . . A 412 ALA HB1 . 17783 1 1049 . 1 1 90 90 ALA HB2 H 1 1.536 0.014 . 1 . . . A 412 ALA HB2 . 17783 1 1050 . 1 1 90 90 ALA HB3 H 1 1.536 0.014 . 1 . . . A 412 ALA HB3 . 17783 1 1051 . 1 1 90 90 ALA C C 13 177.949 0.005 . 1 . . . A 412 ALA C . 17783 1 1052 . 1 1 90 90 ALA CA C 13 53.941 0.056 . 1 . . . A 412 ALA CA . 17783 1 1053 . 1 1 90 90 ALA CB C 13 18.327 0.052 . 1 . . . A 412 ALA CB . 17783 1 1054 . 1 1 90 90 ALA N N 15 118.634 0.050 . 1 . . . A 412 ALA N . 17783 1 1055 . 1 1 91 91 LYS H H 1 7.398 0.005 . 1 . . . A 413 LYS H . 17783 1 1056 . 1 1 91 91 LYS HA H 1 4.332 0.009 . 1 . . . A 413 LYS HA . 17783 1 1057 . 1 1 91 91 LYS HB2 H 1 2.282 0.012 . 2 . . . A 413 LYS HB2 . 17783 1 1058 . 1 1 91 91 LYS HB3 H 1 2.116 0.011 . 2 . . . A 413 LYS HB3 . 17783 1 1059 . 1 1 91 91 LYS HG2 H 1 1.599 0.031 . 2 . . . A 413 LYS HG2 . 17783 1 1060 . 1 1 91 91 LYS HG3 H 1 1.568 0.021 . 2 . . . A 413 LYS HG3 . 17783 1 1061 . 1 1 91 91 LYS HD2 H 1 1.546 0.020 . 2 . . . A 413 LYS HD2 . 17783 1 1062 . 1 1 91 91 LYS HD3 H 1 1.501 0.034 . 2 . . . A 413 LYS HD3 . 17783 1 1063 . 1 1 91 91 LYS HE2 H 1 2.607 0.011 . 2 . . . A 413 LYS HE2 . 17783 1 1064 . 1 1 91 91 LYS HE3 H 1 2.516 0.025 . 2 . . . A 413 LYS HE3 . 17783 1 1065 . 1 1 91 91 LYS C C 13 175.829 0.006 . 1 . . . A 413 LYS C . 17783 1 1066 . 1 1 91 91 LYS CA C 13 55.370 0.064 . 1 . . . A 413 LYS CA . 17783 1 1067 . 1 1 91 91 LYS CB C 13 31.484 0.071 . 1 . . . A 413 LYS CB . 17783 1 1068 . 1 1 91 91 LYS CG C 13 25.162 0.074 . 1 . . . A 413 LYS CG . 17783 1 1069 . 1 1 91 91 LYS CD C 13 28.153 0.056 . 1 . . . A 413 LYS CD . 17783 1 1070 . 1 1 91 91 LYS CE C 13 41.912 0.053 . 1 . . . A 413 LYS CE . 17783 1 1071 . 1 1 91 91 LYS N N 15 115.842 0.041 . 1 . . . A 413 LYS N . 17783 1 1072 . 1 1 92 92 ASN H H 1 8.178 0.003 . 1 . . . A 414 ASN H . 17783 1 1073 . 1 1 92 92 ASN HA H 1 4.536 0.010 . 1 . . . A 414 ASN HA . 17783 1 1074 . 1 1 92 92 ASN HB2 H 1 3.068 0.010 . 2 . . . A 414 ASN HB2 . 17783 1 1075 . 1 1 92 92 ASN HB3 H 1 2.888 0.016 . 2 . . . A 414 ASN HB3 . 17783 1 1076 . 1 1 92 92 ASN HD21 H 1 6.785 0.004 . 1 . . . A 414 ASN HD21 . 17783 1 1077 . 1 1 92 92 ASN HD22 H 1 7.512 0.010 . 1 . . . A 414 ASN HD22 . 17783 1 1078 . 1 1 92 92 ASN C C 13 171.075 0.000 . 1 . . . A 414 ASN C . 17783 1 1079 . 1 1 92 92 ASN CA C 13 54.063 0.092 . 1 . . . A 414 ASN CA . 17783 1 1080 . 1 1 92 92 ASN CB C 13 37.081 0.083 . 1 . . . A 414 ASN CB . 17783 1 1081 . 1 1 92 92 ASN CG C 13 177.848 0.009 . 1 . . . A 414 ASN CG . 17783 1 1082 . 1 1 92 92 ASN N N 15 113.776 0.045 . 1 . . . A 414 ASN N . 17783 1 1083 . 1 1 92 92 ASN ND2 N 15 112.878 0.190 . 1 . . . A 414 ASN ND2 . 17783 1 1084 . 1 1 93 93 PRO HA H 1 5.002 0.008 . 1 . . . A 415 PRO HA . 17783 1 1085 . 1 1 93 93 PRO HB2 H 1 2.282 0.009 . 2 . . . A 415 PRO HB2 . 17783 1 1086 . 1 1 93 93 PRO HB3 H 1 1.688 0.020 . 2 . . . A 415 PRO HB3 . 17783 1 1087 . 1 1 93 93 PRO HG2 H 1 1.880 0.020 . 2 . . . A 415 PRO HG2 . 17783 1 1088 . 1 1 93 93 PRO HG3 H 1 1.858 0.022 . 2 . . . A 415 PRO HG3 . 17783 1 1089 . 1 1 93 93 PRO HD2 H 1 3.694 0.012 . 2 . . . A 415 PRO HD2 . 17783 1 1090 . 1 1 93 93 PRO HD3 H 1 4.176 0.006 . 2 . . . A 415 PRO HD3 . 17783 1 1091 . 1 1 93 93 PRO C C 13 175.682 0.003 . 1 . . . A 415 PRO C . 17783 1 1092 . 1 1 93 93 PRO CA C 13 63.490 0.069 . 1 . . . A 415 PRO CA . 17783 1 1093 . 1 1 93 93 PRO CB C 13 33.585 0.073 . 1 . . . A 415 PRO CB . 17783 1 1094 . 1 1 93 93 PRO CG C 13 28.382 0.099 . 1 . . . A 415 PRO CG . 17783 1 1095 . 1 1 93 93 PRO CD C 13 50.547 0.069 . 1 . . . A 415 PRO CD . 17783 1 1096 . 1 1 94 94 TRP H H 1 7.921 0.010 . 1 . . . A 416 TRP H . 17783 1 1097 . 1 1 94 94 TRP HA H 1 5.017 0.009 . 1 . . . A 416 TRP HA . 17783 1 1098 . 1 1 94 94 TRP HB2 H 1 3.336 0.019 . 2 . . . A 416 TRP HB2 . 17783 1 1099 . 1 1 94 94 TRP HB3 H 1 3.217 0.016 . 2 . . . A 416 TRP HB3 . 17783 1 1100 . 1 1 94 94 TRP HD1 H 1 7.454 0.007 . 1 . . . A 416 TRP HD1 . 17783 1 1101 . 1 1 94 94 TRP HE1 H 1 9.781 0.003 . 1 . . . A 416 TRP HE1 . 17783 1 1102 . 1 1 94 94 TRP HE3 H 1 7.588 0.010 . 1 . . . A 416 TRP HE3 . 17783 1 1103 . 1 1 94 94 TRP HZ2 H 1 7.448 0.008 . 1 . . . A 416 TRP HZ2 . 17783 1 1104 . 1 1 94 94 TRP HZ3 H 1 7.214 0.007 . 1 . . . A 416 TRP HZ3 . 17783 1 1105 . 1 1 94 94 TRP HH2 H 1 7.219 0.007 . 1 . . . A 416 TRP HH2 . 17783 1 1106 . 1 1 94 94 TRP C C 13 173.607 0.007 . 1 . . . A 416 TRP C . 17783 1 1107 . 1 1 94 94 TRP CA C 13 53.995 0.072 . 1 . . . A 416 TRP CA . 17783 1 1108 . 1 1 94 94 TRP CB C 13 31.507 0.057 . 1 . . . A 416 TRP CB . 17783 1 1109 . 1 1 94 94 TRP CD1 C 13 128.285 0.050 . 1 . . . A 416 TRP CD1 . 17783 1 1110 . 1 1 94 94 TRP CE3 C 13 121.425 0.112 . 1 . . . A 416 TRP CE3 . 17783 1 1111 . 1 1 94 94 TRP CZ2 C 13 114.764 0.132 . 1 . . . A 416 TRP CZ2 . 17783 1 1112 . 1 1 94 94 TRP CZ3 C 13 121.390 0.103 . 1 . . . A 416 TRP CZ3 . 17783 1 1113 . 1 1 94 94 TRP CH2 C 13 124.047 0.088 . 1 . . . A 416 TRP CH2 . 17783 1 1114 . 1 1 94 94 TRP N N 15 117.925 0.039 . 1 . . . A 416 TRP N . 17783 1 1115 . 1 1 94 94 TRP NE1 N 15 129.524 0.058 . 1 . . . A 416 TRP NE1 . 17783 1 1116 . 1 1 95 95 ALA H H 1 8.878 0.005 . 1 . . . A 417 ALA H . 17783 1 1117 . 1 1 95 95 ALA HA H 1 4.755 0.011 . 1 . . . A 417 ALA HA . 17783 1 1118 . 1 1 95 95 ALA HB1 H 1 1.183 0.008 . 1 . . . A 417 ALA HB1 . 17783 1 1119 . 1 1 95 95 ALA HB2 H 1 1.183 0.008 . 1 . . . A 417 ALA HB2 . 17783 1 1120 . 1 1 95 95 ALA HB3 H 1 1.183 0.008 . 1 . . . A 417 ALA HB3 . 17783 1 1121 . 1 1 95 95 ALA C C 13 174.171 0.002 . 1 . . . A 417 ALA C . 17783 1 1122 . 1 1 95 95 ALA CA C 13 51.637 0.088 . 1 . . . A 417 ALA CA . 17783 1 1123 . 1 1 95 95 ALA CB C 13 19.468 0.074 . 1 . . . A 417 ALA CB . 17783 1 1124 . 1 1 95 95 ALA N N 15 123.924 0.036 . 1 . . . A 417 ALA N . 17783 1 1125 . 1 1 96 96 LYS H H 1 9.235 0.003 . 1 . . . A 418 LYS H . 17783 1 1126 . 1 1 96 96 LYS HA H 1 5.021 0.008 . 1 . . . A 418 LYS HA . 17783 1 1127 . 1 1 96 96 LYS HB2 H 1 1.417 0.019 . 2 . . . A 418 LYS HB2 . 17783 1 1128 . 1 1 96 96 LYS HB3 H 1 0.747 0.013 . 2 . . . A 418 LYS HB3 . 17783 1 1129 . 1 1 96 96 LYS HG2 H 1 1.359 0.012 . 2 . . . A 418 LYS HG2 . 17783 1 1130 . 1 1 96 96 LYS HG3 H 1 1.199 0.012 . 2 . . . A 418 LYS HG3 . 17783 1 1131 . 1 1 96 96 LYS HD2 H 1 1.560 0.013 . 2 . . . A 418 LYS HD2 . 17783 1 1132 . 1 1 96 96 LYS HD3 H 1 1.216 0.023 . 2 . . . A 418 LYS HD3 . 17783 1 1133 . 1 1 96 96 LYS HE2 H 1 2.925 0.010 . 2 . . . A 418 LYS HE2 . 17783 1 1134 . 1 1 96 96 LYS HE3 H 1 2.789 0.008 . 2 . . . A 418 LYS HE3 . 17783 1 1135 . 1 1 96 96 LYS C C 13 173.451 0.000 . 1 . . . A 418 LYS C . 17783 1 1136 . 1 1 96 96 LYS CA C 13 52.564 0.099 . 1 . . . A 418 LYS CA . 17783 1 1137 . 1 1 96 96 LYS CB C 13 36.983 0.066 . 1 . . . A 418 LYS CB . 17783 1 1138 . 1 1 96 96 LYS CG C 13 24.316 0.086 . 1 . . . A 418 LYS CG . 17783 1 1139 . 1 1 96 96 LYS CD C 13 30.141 0.091 . 1 . . . A 418 LYS CD . 17783 1 1140 . 1 1 96 96 LYS CE C 13 42.433 0.067 . 1 . . . A 418 LYS CE . 17783 1 1141 . 1 1 96 96 LYS N N 15 129.441 0.057 . 1 . . . A 418 LYS N . 17783 1 1142 . 1 1 97 97 PRO HA H 1 3.764 0.011 . 1 . . . A 419 PRO HA . 17783 1 1143 . 1 1 97 97 PRO HB2 H 1 2.243 0.012 . 2 . . . A 419 PRO HB2 . 17783 1 1144 . 1 1 97 97 PRO HB3 H 1 1.795 0.009 . 2 . . . A 419 PRO HB3 . 17783 1 1145 . 1 1 97 97 PRO HG2 H 1 2.169 0.018 . 1 . . . A 419 PRO HG2 . 17783 1 1146 . 1 1 97 97 PRO HG3 H 1 2.169 0.018 . 1 . . . A 419 PRO HG3 . 17783 1 1147 . 1 1 97 97 PRO HD2 H 1 3.881 0.009 . 2 . . . A 419 PRO HD2 . 17783 1 1148 . 1 1 97 97 PRO HD3 H 1 4.272 0.008 . 2 . . . A 419 PRO HD3 . 17783 1 1149 . 1 1 97 97 PRO C C 13 178.893 0.008 . 1 . . . A 419 PRO C . 17783 1 1150 . 1 1 97 97 PRO CA C 13 62.895 0.089 . 1 . . . A 419 PRO CA . 17783 1 1151 . 1 1 97 97 PRO CB C 13 32.720 0.051 . 1 . . . A 419 PRO CB . 17783 1 1152 . 1 1 97 97 PRO CG C 13 28.000 0.076 . 1 . . . A 419 PRO CG . 17783 1 1153 . 1 1 97 97 PRO CD C 13 51.506 0.078 . 1 . . . A 419 PRO CD . 17783 1 1154 . 1 1 98 98 LEU H H 1 9.179 0.005 . 1 . . . A 420 LEU H . 17783 1 1155 . 1 1 98 98 LEU HA H 1 3.803 0.009 . 1 . . . A 420 LEU HA . 17783 1 1156 . 1 1 98 98 LEU HB2 H 1 1.708 0.012 . 2 . . . A 420 LEU HB2 . 17783 1 1157 . 1 1 98 98 LEU HB3 H 1 1.130 0.016 . 2 . . . A 420 LEU HB3 . 17783 1 1158 . 1 1 98 98 LEU HG H 1 1.358 0.010 . 1 . . . A 420 LEU HG . 17783 1 1159 . 1 1 98 98 LEU HD11 H 1 0.740 0.014 . 2 . . . A 420 LEU HD11 . 17783 1 1160 . 1 1 98 98 LEU HD12 H 1 0.740 0.014 . 2 . . . A 420 LEU HD12 . 17783 1 1161 . 1 1 98 98 LEU HD13 H 1 0.740 0.014 . 2 . . . A 420 LEU HD13 . 17783 1 1162 . 1 1 98 98 LEU HD21 H 1 0.803 0.015 . 2 . . . A 420 LEU HD21 . 17783 1 1163 . 1 1 98 98 LEU HD22 H 1 0.803 0.015 . 2 . . . A 420 LEU HD22 . 17783 1 1164 . 1 1 98 98 LEU HD23 H 1 0.803 0.015 . 2 . . . A 420 LEU HD23 . 17783 1 1165 . 1 1 98 98 LEU C C 13 179.040 0.043 . 1 . . . A 420 LEU C . 17783 1 1166 . 1 1 98 98 LEU CA C 13 57.368 0.081 . 1 . . . A 420 LEU CA . 17783 1 1167 . 1 1 98 98 LEU CB C 13 39.941 0.063 . 1 . . . A 420 LEU CB . 17783 1 1168 . 1 1 98 98 LEU CG C 13 28.688 0.056 . 1 . . . A 420 LEU CG . 17783 1 1169 . 1 1 98 98 LEU CD1 C 13 24.062 0.068 . 2 . . . A 420 LEU CD1 . 17783 1 1170 . 1 1 98 98 LEU CD2 C 13 26.167 0.106 . 2 . . . A 420 LEU CD2 . 17783 1 1171 . 1 1 98 98 LEU N N 15 126.746 0.056 . 1 . . . A 420 LEU N . 17783 1 1172 . 1 1 99 99 ARG H H 1 8.014 0.005 . 1 . . . A 421 ARG H . 17783 1 1173 . 1 1 99 99 ARG HA H 1 4.059 0.007 . 1 . . . A 421 ARG HA . 17783 1 1174 . 1 1 99 99 ARG HB2 H 1 1.929 0.010 . 2 . . . A 421 ARG HB2 . 17783 1 1175 . 1 1 99 99 ARG HB3 H 1 1.729 0.016 . 2 . . . A 421 ARG HB3 . 17783 1 1176 . 1 1 99 99 ARG HG2 H 1 1.601 0.009 . 1 . . . A 421 ARG HG2 . 17783 1 1177 . 1 1 99 99 ARG HG3 H 1 1.601 0.009 . 1 . . . A 421 ARG HG3 . 17783 1 1178 . 1 1 99 99 ARG HD2 H 1 3.203 0.008 . 2 . . . A 421 ARG HD2 . 17783 1 1179 . 1 1 99 99 ARG HD3 H 1 3.202 0.008 . 2 . . . A 421 ARG HD3 . 17783 1 1180 . 1 1 99 99 ARG HE H 1 7.312 0.007 . 1 . . . A 421 ARG HE . 17783 1 1181 . 1 1 99 99 ARG C C 13 178.140 0.013 . 1 . . . A 421 ARG C . 17783 1 1182 . 1 1 99 99 ARG CA C 13 59.093 0.062 . 1 . . . A 421 ARG CA . 17783 1 1183 . 1 1 99 99 ARG CB C 13 29.956 0.074 . 1 . . . A 421 ARG CB . 17783 1 1184 . 1 1 99 99 ARG CG C 13 27.170 0.052 . 1 . . . A 421 ARG CG . 17783 1 1185 . 1 1 99 99 ARG CD C 13 42.951 0.075 . 1 . . . A 421 ARG CD . 17783 1 1186 . 1 1 99 99 ARG N N 15 118.262 0.067 . 1 . . . A 421 ARG N . 17783 1 1187 . 1 1 99 99 ARG NE N 15 83.944 0.034 . 1 . . . A 421 ARG NE . 17783 1 1188 . 1 1 100 100 GLN H H 1 7.258 0.004 . 1 . . . A 422 GLN H . 17783 1 1189 . 1 1 100 100 GLN HA H 1 4.210 0.011 . 1 . . . A 422 GLN HA . 17783 1 1190 . 1 1 100 100 GLN HB2 H 1 2.209 0.020 . 2 . . . A 422 GLN HB2 . 17783 1 1191 . 1 1 100 100 GLN HB3 H 1 2.141 0.024 . 2 . . . A 422 GLN HB3 . 17783 1 1192 . 1 1 100 100 GLN HG2 H 1 2.475 0.006 . 2 . . . A 422 GLN HG2 . 17783 1 1193 . 1 1 100 100 GLN HG3 H 1 2.475 0.006 . 2 . . . A 422 GLN HG3 . 17783 1 1194 . 1 1 100 100 GLN HE21 H 1 7.011 0.005 . 1 . . . A 422 GLN HE21 . 17783 1 1195 . 1 1 100 100 GLN HE22 H 1 7.698 0.006 . 1 . . . A 422 GLN HE22 . 17783 1 1196 . 1 1 100 100 GLN C C 13 177.594 0.012 . 1 . . . A 422 GLN C . 17783 1 1197 . 1 1 100 100 GLN CA C 13 57.733 0.095 . 1 . . . A 422 GLN CA . 17783 1 1198 . 1 1 100 100 GLN CB C 13 29.178 0.075 . 1 . . . A 422 GLN CB . 17783 1 1199 . 1 1 100 100 GLN CG C 13 34.254 0.044 . 1 . . . A 422 GLN CG . 17783 1 1200 . 1 1 100 100 GLN CD C 13 179.379 0.017 . 1 . . . A 422 GLN CD . 17783 1 1201 . 1 1 100 100 GLN N N 15 116.539 0.041 . 1 . . . A 422 GLN N . 17783 1 1202 . 1 1 100 100 GLN NE2 N 15 111.548 0.260 . 1 . . . A 422 GLN NE2 . 17783 1 1203 . 1 1 101 101 VAL H H 1 7.090 0.005 . 1 . . . A 423 VAL H . 17783 1 1204 . 1 1 101 101 VAL HA H 1 3.548 0.014 . 1 . . . A 423 VAL HA . 17783 1 1205 . 1 1 101 101 VAL HB H 1 2.045 0.008 . 1 . . . A 423 VAL HB . 17783 1 1206 . 1 1 101 101 VAL HG11 H 1 0.470 0.013 . 2 . . . A 423 VAL HG11 . 17783 1 1207 . 1 1 101 101 VAL HG12 H 1 0.470 0.013 . 2 . . . A 423 VAL HG12 . 17783 1 1208 . 1 1 101 101 VAL HG13 H 1 0.470 0.013 . 2 . . . A 423 VAL HG13 . 17783 1 1209 . 1 1 101 101 VAL HG21 H 1 0.946 0.008 . 2 . . . A 423 VAL HG21 . 17783 1 1210 . 1 1 101 101 VAL HG22 H 1 0.946 0.008 . 2 . . . A 423 VAL HG22 . 17783 1 1211 . 1 1 101 101 VAL HG23 H 1 0.946 0.008 . 2 . . . A 423 VAL HG23 . 17783 1 1212 . 1 1 101 101 VAL C C 13 177.040 0.007 . 1 . . . A 423 VAL C . 17783 1 1213 . 1 1 101 101 VAL CA C 13 65.447 0.068 . 1 . . . A 423 VAL CA . 17783 1 1214 . 1 1 101 101 VAL CB C 13 32.553 0.093 . 1 . . . A 423 VAL CB . 17783 1 1215 . 1 1 101 101 VAL CG1 C 13 21.044 0.061 . 2 . . . A 423 VAL CG1 . 17783 1 1216 . 1 1 101 101 VAL CG2 C 13 21.779 0.089 . 2 . . . A 423 VAL CG2 . 17783 1 1217 . 1 1 101 101 VAL N N 15 119.665 0.042 . 1 . . . A 423 VAL N . 17783 1 1218 . 1 1 102 102 GLN H H 1 8.553 0.005 . 1 . . . A 424 GLN H . 17783 1 1219 . 1 1 102 102 GLN HA H 1 3.565 0.010 . 1 . . . A 424 GLN HA . 17783 1 1220 . 1 1 102 102 GLN HB2 H 1 2.015 0.023 . 2 . . . A 424 GLN HB2 . 17783 1 1221 . 1 1 102 102 GLN HB3 H 1 1.906 0.018 . 2 . . . A 424 GLN HB3 . 17783 1 1222 . 1 1 102 102 GLN HG2 H 1 2.301 0.023 . 2 . . . A 424 GLN HG2 . 17783 1 1223 . 1 1 102 102 GLN HG3 H 1 2.209 0.023 . 2 . . . A 424 GLN HG3 . 17783 1 1224 . 1 1 102 102 GLN HE21 H 1 6.506 0.005 . 1 . . . A 424 GLN HE21 . 17783 1 1225 . 1 1 102 102 GLN HE22 H 1 7.315 0.009 . 1 . . . A 424 GLN HE22 . 17783 1 1226 . 1 1 102 102 GLN C C 13 177.994 0.001 . 1 . . . A 424 GLN C . 17783 1 1227 . 1 1 102 102 GLN CA C 13 58.883 0.070 . 1 . . . A 424 GLN CA . 17783 1 1228 . 1 1 102 102 GLN CB C 13 27.060 0.076 . 1 . . . A 424 GLN CB . 17783 1 1229 . 1 1 102 102 GLN CG C 13 35.057 0.097 . 1 . . . A 424 GLN CG . 17783 1 1230 . 1 1 102 102 GLN N N 15 115.032 0.037 . 1 . . . A 424 GLN N . 17783 1 1231 . 1 1 102 102 GLN NE2 N 15 109.441 0.152 . 1 . . . A 424 GLN NE2 . 17783 1 1232 . 1 1 103 103 ALA H H 1 7.366 0.008 . 1 . . . A 425 ALA H . 17783 1 1233 . 1 1 103 103 ALA HA H 1 4.158 0.010 . 1 . . . A 425 ALA HA . 17783 1 1234 . 1 1 103 103 ALA HB1 H 1 1.462 0.007 . 1 . . . A 425 ALA HB1 . 17783 1 1235 . 1 1 103 103 ALA HB2 H 1 1.462 0.007 . 1 . . . A 425 ALA HB2 . 17783 1 1236 . 1 1 103 103 ALA HB3 H 1 1.462 0.007 . 1 . . . A 425 ALA HB3 . 17783 1 1237 . 1 1 103 103 ALA C C 13 178.545 0.003 . 1 . . . A 425 ALA C . 17783 1 1238 . 1 1 103 103 ALA CA C 13 54.275 0.070 . 1 . . . A 425 ALA CA . 17783 1 1239 . 1 1 103 103 ALA CB C 13 18.322 0.066 . 1 . . . A 425 ALA CB . 17783 1 1240 . 1 1 103 103 ALA N N 15 120.742 0.037 . 1 . . . A 425 ALA N . 17783 1 1241 . 1 1 104 104 ASP H H 1 7.628 0.004 . 1 . . . A 426 ASP H . 17783 1 1242 . 1 1 104 104 ASP HA H 1 4.708 0.010 . 1 . . . A 426 ASP HA . 17783 1 1243 . 1 1 104 104 ASP HB2 H 1 2.928 0.022 . 2 . . . A 426 ASP HB2 . 17783 1 1244 . 1 1 104 104 ASP HB3 H 1 2.862 0.021 . 2 . . . A 426 ASP HB3 . 17783 1 1245 . 1 1 104 104 ASP C C 13 176.876 0.006 . 1 . . . A 426 ASP C . 17783 1 1246 . 1 1 104 104 ASP CA C 13 55.223 0.057 . 1 . . . A 426 ASP CA . 17783 1 1247 . 1 1 104 104 ASP CB C 13 42.500 0.095 . 1 . . . A 426 ASP CB . 17783 1 1248 . 1 1 104 104 ASP N N 15 117.066 0.036 . 1 . . . A 426 ASP N . 17783 1 1249 . 1 1 105 105 LEU H H 1 7.242 0.007 . 1 . . . A 427 LEU H . 17783 1 1250 . 1 1 105 105 LEU HA H 1 4.299 0.012 . 1 . . . A 427 LEU HA . 17783 1 1251 . 1 1 105 105 LEU HB2 H 1 1.603 0.006 . 2 . . . A 427 LEU HB2 . 17783 1 1252 . 1 1 105 105 LEU HB3 H 1 1.394 0.014 . 2 . . . A 427 LEU HB3 . 17783 1 1253 . 1 1 105 105 LEU HG H 1 1.603 0.006 . 1 . . . A 427 LEU HG . 17783 1 1254 . 1 1 105 105 LEU HD11 H 1 0.493 0.013 . 2 . . . A 427 LEU HD11 . 17783 1 1255 . 1 1 105 105 LEU HD12 H 1 0.493 0.013 . 2 . . . A 427 LEU HD12 . 17783 1 1256 . 1 1 105 105 LEU HD13 H 1 0.493 0.013 . 2 . . . A 427 LEU HD13 . 17783 1 1257 . 1 1 105 105 LEU HD21 H 1 0.536 0.017 . 2 . . . A 427 LEU HD21 . 17783 1 1258 . 1 1 105 105 LEU HD22 H 1 0.536 0.017 . 2 . . . A 427 LEU HD22 . 17783 1 1259 . 1 1 105 105 LEU HD23 H 1 0.536 0.017 . 2 . . . A 427 LEU HD23 . 17783 1 1260 . 1 1 105 105 LEU C C 13 176.118 0.002 . 1 . . . A 427 LEU C . 17783 1 1261 . 1 1 105 105 LEU CA C 13 54.986 0.092 . 1 . . . A 427 LEU CA . 17783 1 1262 . 1 1 105 105 LEU CB C 13 42.078 0.061 . 1 . . . A 427 LEU CB . 17783 1 1263 . 1 1 105 105 LEU CG C 13 25.637 0.164 . 1 . . . A 427 LEU CG . 17783 1 1264 . 1 1 105 105 LEU CD1 C 13 22.916 0.053 . 2 . . . A 427 LEU CD1 . 17783 1 1265 . 1 1 105 105 LEU CD2 C 13 26.113 0.102 . 2 . . . A 427 LEU CD2 . 17783 1 1266 . 1 1 105 105 LEU N N 15 119.853 0.042 . 1 . . . A 427 LEU N . 17783 1 1267 . 1 1 106 106 LYS H H 1 7.812 0.004 . 1 . . . A 428 LYS H . 17783 1 1268 . 1 1 106 106 LYS HA H 1 4.070 0.006 . 1 . . . A 428 LYS HA . 17783 1 1269 . 1 1 106 106 LYS HB2 H 1 1.800 0.012 . 2 . . . A 428 LYS HB2 . 17783 1 1270 . 1 1 106 106 LYS HB3 H 1 1.728 0.016 . 2 . . . A 428 LYS HB3 . 17783 1 1271 . 1 1 106 106 LYS HG2 H 1 1.439 0.004 . 2 . . . A 428 LYS HG2 . 17783 1 1272 . 1 1 106 106 LYS HG3 H 1 1.438 0.005 . 2 . . . A 428 LYS HG3 . 17783 1 1273 . 1 1 106 106 LYS HD2 H 1 1.648 0.003 . 1 . . . A 428 LYS HD2 . 17783 1 1274 . 1 1 106 106 LYS HD3 H 1 1.648 0.003 . 1 . . . A 428 LYS HD3 . 17783 1 1275 . 1 1 106 106 LYS HE2 H 1 2.969 0.002 . 1 . . . A 428 LYS HE2 . 17783 1 1276 . 1 1 106 106 LYS HE3 H 1 2.969 0.002 . 1 . . . A 428 LYS HE3 . 17783 1 1277 . 1 1 106 106 LYS C C 13 181.666 0.000 . 1 . . . A 428 LYS C . 17783 1 1278 . 1 1 106 106 LYS CA C 13 57.937 0.079 . 1 . . . A 428 LYS CA . 17783 1 1279 . 1 1 106 106 LYS CB C 13 33.485 0.028 . 1 . . . A 428 LYS CB . 17783 1 1280 . 1 1 106 106 LYS CG C 13 24.877 0.061 . 1 . . . A 428 LYS CG . 17783 1 1281 . 1 1 106 106 LYS CD C 13 28.804 0.114 . 1 . . . A 428 LYS CD . 17783 1 1282 . 1 1 106 106 LYS CE C 13 42.198 0.019 . 1 . . . A 428 LYS CE . 17783 1 1283 . 1 1 106 106 LYS N N 15 127.083 0.050 . 1 . . . A 428 LYS N . 17783 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 17783 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'Normalized to reference integral by nlinLS, the peak fitting routine in NMRPipe' _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 25 '2D {1H}-15N NOE' . . . 17783 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 1 1 MET H H 1 . 1 1 1 1 MET N N 15 -0.632 -0.019 . . . 323 MET H . 323 MET N 17783 1 2 . 1 1 2 2 ARG H H 1 . 1 1 2 2 ARG N N 15 -0.472 -0.014 . . . 324 ARG H . 324 ARG N 17783 1 3 . 1 1 3 3 GLY H H 1 . 1 1 3 3 GLY N N 15 -0.579 -0.017 . . . 325 GLY H . 325 GLY N 17783 1 4 . 1 1 4 4 SER H H 1 . 1 1 4 4 SER N N 15 -0.223 -0.006 . . . 326 SER H . 326 SER N 17783 1 5 . 1 1 11 11 GLY H H 1 . 1 1 11 11 GLY N N 15 0.2538 0.0076 . . . 333 GLY H . 333 GLY N 17783 1 6 . 1 1 12 12 SER H H 1 . 1 1 12 12 SER N N 15 0.2882 0.0086 . . . 334 SER H . 334 SER N 17783 1 7 . 1 1 13 13 ASN H H 1 . 1 1 13 13 ASN N N 15 0.2249 0.0067 . . . 335 ASN H . 335 ASN N 17783 1 8 . 1 1 14 14 ASN H H 1 . 1 1 14 14 ASN N N 15 0.3801 0.0114 . . . 336 ASN H . 336 ASN N 17783 1 9 . 1 1 15 15 ASN H H 1 . 1 1 15 15 ASN N N 15 0.6091 0.0183 . . . 337 ASN H . 337 ASN N 17783 1 10 . 1 1 16 16 GLY H H 1 . 1 1 16 16 GLY N N 15 0.5551 0.0167 . . . 338 GLY H . 338 GLY N 17783 1 11 . 1 1 17 17 SER H H 1 . 1 1 17 17 SER N N 15 0.5161 0.0155 . . . 339 SER H . 339 SER N 17783 1 12 . 1 1 18 18 LEU H H 1 . 1 1 18 18 LEU N N 15 0.5890 0.0177 . . . 340 LEU H . 340 LEU N 17783 1 13 . 1 1 19 19 LYS H H 1 . 1 1 19 19 LYS N N 15 0.6302 0.0189 . . . 341 LYS H . 341 LYS N 17783 1 14 . 1 1 20 20 SER H H 1 . 1 1 20 20 SER N N 15 0.6844 0.0205 . . . 342 SER H . 342 SER N 17783 1 15 . 1 1 21 21 ALA H H 1 . 1 1 21 21 ALA N N 15 0.6904 0.0207 . . . 343 ALA H . 343 ALA N 17783 1 16 . 1 1 23 23 SER H H 1 . 1 1 23 23 SER N N 15 0.6340 0.0190 . . . 345 SER H . 345 SER N 17783 1 17 . 1 1 24 24 SER H H 1 . 1 1 24 24 SER N N 15 0.7552 0.0227 . . . 346 SER H . 346 SER N 17783 1 18 . 1 1 25 25 HIS H H 1 . 1 1 25 25 HIS N N 15 0.7454 0.0224 . . . 347 HIS H . 347 HIS N 17783 1 19 . 1 1 26 26 TYR H H 1 . 1 1 26 26 TYR N N 15 0.6822 0.0205 . . . 348 TYR H . 348 TYR N 17783 1 20 . 1 1 27 27 THR H H 1 . 1 1 27 27 THR N N 15 0.8156 0.0245 . . . 349 THR H . 349 THR N 17783 1 21 . 1 1 28 28 LEU H H 1 . 1 1 28 28 LEU N N 15 0.7705 0.0231 . . . 350 LEU H . 350 LEU N 17783 1 22 . 1 1 29 29 GLN H H 1 . 1 1 29 29 GLN N N 15 0.7432 0.0223 . . . 351 GLN H . 351 GLN N 17783 1 23 . 1 1 30 30 LEU H H 1 . 1 1 30 30 LEU N N 15 0.8515 0.0255 . . . 352 LEU H . 352 LEU N 17783 1 24 . 1 1 31 31 SER H H 1 . 1 1 31 31 SER N N 15 0.6851 0.0206 . . . 353 SER H . 353 SER N 17783 1 25 . 1 1 32 32 SER H H 1 . 1 1 32 32 SER N N 15 0.7055 0.0212 . . . 354 SER H . 354 SER N 17783 1 26 . 1 1 33 33 SER H H 1 . 1 1 33 33 SER N N 15 0.7145 0.0214 . . . 355 SER H . 355 SER N 17783 1 27 . 1 1 34 34 SER H H 1 . 1 1 34 34 SER N N 15 0.7374 0.0221 . . . 356 SER H . 356 SER N 17783 1 28 . 1 1 35 35 ASN H H 1 . 1 1 35 35 ASN N N 15 0.7467 0.0224 . . . 357 ASN H . 357 ASN N 17783 1 29 . 1 1 36 36 TYR H H 1 . 1 1 36 36 TYR N N 15 0.7611 0.0228 . . . 358 TYR H . 358 TYR N 17783 1 30 . 1 1 37 37 ASP H H 1 . 1 1 37 37 ASP N N 15 0.7158 0.0215 . . . 359 ASP H . 359 ASP N 17783 1 31 . 1 1 38 38 ASN H H 1 . 1 1 38 38 ASN N N 15 0.7350 0.0221 . . . 360 ASN H . 360 ASN N 17783 1 32 . 1 1 39 39 LEU H H 1 . 1 1 39 39 LEU N N 15 0.7300 0.0219 . . . 361 LEU H . 361 LEU N 17783 1 33 . 1 1 40 40 ASN H H 1 . 1 1 40 40 ASN N N 15 0.8058 0.0242 . . . 362 ASN H . 362 ASN N 17783 1 34 . 1 1 41 41 GLY H H 1 . 1 1 41 41 GLY N N 15 0.7473 0.0224 . . . 363 GLY H . 363 GLY N 17783 1 35 . 1 1 42 42 TRP H H 1 . 1 1 42 42 TRP N N 15 0.7658 0.0230 . . . 364 TRP H . 364 TRP N 17783 1 36 . 1 1 43 43 ALA H H 1 . 1 1 43 43 ALA N N 15 0.7742 0.0232 . . . 365 ALA H . 365 ALA N 17783 1 37 . 1 1 44 44 LYS H H 1 . 1 1 44 44 LYS N N 15 0.7558 0.0227 . . . 366 LYS H . 366 LYS N 17783 1 38 . 1 1 45 45 LYS H H 1 . 1 1 45 45 LYS N N 15 0.7659 0.0230 . . . 367 LYS H . 367 LYS N 17783 1 39 . 1 1 46 46 GLU H H 1 . 1 1 46 46 GLU N N 15 0.7502 0.0225 . . . 368 GLU H . 368 GLU N 17783 1 40 . 1 1 47 47 ASN H H 1 . 1 1 47 47 ASN N N 15 0.7516 0.0225 . . . 369 ASN H . 369 ASN N 17783 1 41 . 1 1 48 48 LEU H H 1 . 1 1 48 48 LEU N N 15 0.7275 0.0218 . . . 370 LEU H . 370 LEU N 17783 1 42 . 1 1 49 49 LYS H H 1 . 1 1 49 49 LYS N N 15 0.6137 0.0184 . . . 371 LYS H . 371 LYS N 17783 1 43 . 1 1 50 50 ASN H H 1 . 1 1 50 50 ASN N N 15 0.4978 0.0149 . . . 372 ASN H . 372 ASN N 17783 1 44 . 1 1 51 51 TYR H H 1 . 1 1 51 51 TYR N N 15 0.6399 0.0192 . . . 373 TYR H . 373 TYR N 17783 1 45 . 1 1 52 52 VAL H H 1 . 1 1 52 52 VAL N N 15 0.7411 0.0222 . . . 374 VAL H . 374 VAL N 17783 1 46 . 1 1 53 53 VAL H H 1 . 1 1 53 53 VAL N N 15 0.7401 0.0222 . . . 375 VAL H . 375 VAL N 17783 1 47 . 1 1 54 54 TYR H H 1 . 1 1 54 54 TYR N N 15 0.7962 0.0239 . . . 376 TYR H . 376 TYR N 17783 1 48 . 1 1 55 55 GLU H H 1 . 1 1 55 55 GLU N N 15 0.7133 0.0214 . . . 377 GLU H . 377 GLU N 17783 1 49 . 1 1 56 56 THR H H 1 . 1 1 56 56 THR N N 15 0.7532 0.0226 . . . 378 THR H . 378 THR N 17783 1 50 . 1 1 57 57 THR H H 1 . 1 1 57 57 THR N N 15 0.6930 0.0208 . . . 379 THR H . 379 THR N 17783 1 51 . 1 1 58 58 ARG H H 1 . 1 1 58 58 ARG N N 15 0.7347 0.0220 . . . 380 ARG H . 380 ARG N 17783 1 52 . 1 1 60 60 GLY H H 1 . 1 1 60 60 GLY N N 15 0.7067 0.0212 . . . 382 GLY H . 382 GLY N 17783 1 53 . 1 1 61 61 GLN H H 1 . 1 1 61 61 GLN N N 15 0.6252 0.0188 . . . 383 GLN H . 383 GLN N 17783 1 54 . 1 1 63 63 TRP H H 1 . 1 1 63 63 TRP N N 15 0.6991 0.0210 . . . 385 TRP H . 385 TRP N 17783 1 55 . 1 1 64 64 TYR H H 1 . 1 1 64 64 TYR N N 15 0.7280 0.0218 . . . 386 TYR H . 386 TYR N 17783 1 56 . 1 1 65 65 VAL H H 1 . 1 1 65 65 VAL N N 15 0.7273 0.0218 . . . 387 VAL H . 387 VAL N 17783 1 57 . 1 1 66 66 LEU H H 1 . 1 1 66 66 LEU N N 15 0.7261 0.0218 . . . 388 LEU H . 388 LEU N 17783 1 58 . 1 1 67 67 VAL H H 1 . 1 1 67 67 VAL N N 15 0.8038 0.0241 . . . 389 VAL H . 389 VAL N 17783 1 59 . 1 1 68 68 SER H H 1 . 1 1 68 68 SER N N 15 0.7540 0.0226 . . . 390 SER H . 390 SER N 17783 1 60 . 1 1 69 69 GLY H H 1 . 1 1 69 69 GLY N N 15 0.7128 0.0214 . . . 391 GLY H . 391 GLY N 17783 1 61 . 1 1 70 70 VAL H H 1 . 1 1 70 70 VAL N N 15 0.8186 0.0246 . . . 392 VAL H . 392 VAL N 17783 1 62 . 1 1 71 71 TYR H H 1 . 1 1 71 71 TYR N N 15 0.7536 0.0226 . . . 393 TYR H . 393 TYR N 17783 1 63 . 1 1 72 72 ALA H H 1 . 1 1 72 72 ALA N N 15 0.7383 0.0221 . . . 394 ALA H . 394 ALA N 17783 1 64 . 1 1 73 73 SER H H 1 . 1 1 73 73 SER N N 15 0.7615 0.0228 . . . 395 SER H . 395 SER N 17783 1 65 . 1 1 74 74 LYS H H 1 . 1 1 74 74 LYS N N 15 0.7681 0.0230 . . . 396 LYS H . 396 LYS N 17783 1 66 . 1 1 75 75 GLU H H 1 . 1 1 75 75 GLU N N 15 0.8390 0.0252 . . . 397 GLU H . 397 GLU N 17783 1 67 . 1 1 76 76 GLU H H 1 . 1 1 76 76 GLU N N 15 0.7349 0.0220 . . . 398 GLU H . 398 GLU N 17783 1 68 . 1 1 77 77 ALA H H 1 . 1 1 77 77 ALA N N 15 0.7667 0.0230 . . . 399 ALA H . 399 ALA N 17783 1 69 . 1 1 78 78 LYS H H 1 . 1 1 78 78 LYS N N 15 0.7031 0.0211 . . . 400 LYS H . 400 LYS N 17783 1 70 . 1 1 79 79 LYS H H 1 . 1 1 79 79 LYS N N 15 0.7700 0.0231 . . . 401 LYS H . 401 LYS N 17783 1 71 . 1 1 80 80 ALA H H 1 . 1 1 80 80 ALA N N 15 0.7544 0.0226 . . . 402 ALA H . 402 ALA N 17783 1 72 . 1 1 81 81 VAL H H 1 . 1 1 81 81 VAL N N 15 0.7308 0.0219 . . . 403 VAL H . 403 VAL N 17783 1 73 . 1 1 82 82 SER H H 1 . 1 1 82 82 SER N N 15 0.7571 0.0227 . . . 404 SER H . 404 SER N 17783 1 74 . 1 1 83 83 THR H H 1 . 1 1 83 83 THR N N 15 0.6557 0.0197 . . . 405 THR H . 405 THR N 17783 1 75 . 1 1 84 84 LEU H H 1 . 1 1 84 84 LEU N N 15 0.7873 0.0236 . . . 406 LEU H . 406 LEU N 17783 1 76 . 1 1 86 86 ALA H H 1 . 1 1 86 86 ALA N N 15 0.7720 0.0232 . . . 408 ALA H . 408 ALA N 17783 1 77 . 1 1 87 87 ASP H H 1 . 1 1 87 87 ASP N N 15 0.7326 0.0220 . . . 409 ASP H . 409 ASP N 17783 1 78 . 1 1 88 88 VAL H H 1 . 1 1 88 88 VAL N N 15 0.6819 0.0205 . . . 410 VAL H . 410 VAL N 17783 1 79 . 1 1 89 89 GLN H H 1 . 1 1 89 89 GLN N N 15 0.7884 0.0237 . . . 411 GLN H . 411 GLN N 17783 1 80 . 1 1 90 90 ALA H H 1 . 1 1 90 90 ALA N N 15 0.7493 0.0225 . . . 412 ALA H . 412 ALA N 17783 1 81 . 1 1 91 91 LYS H H 1 . 1 1 91 91 LYS N N 15 0.7339 0.0220 . . . 413 LYS H . 413 LYS N 17783 1 82 . 1 1 92 92 ASN H H 1 . 1 1 92 92 ASN N N 15 0.6975 0.0209 . . . 414 ASN H . 414 ASN N 17783 1 83 . 1 1 94 94 TRP H H 1 . 1 1 94 94 TRP N N 15 0.6992 0.0210 . . . 416 TRP H . 416 TRP N 17783 1 84 . 1 1 95 95 ALA H H 1 . 1 1 95 95 ALA N N 15 0.7685 0.0231 . . . 417 ALA H . 417 ALA N 17783 1 85 . 1 1 96 96 LYS H H 1 . 1 1 96 96 LYS N N 15 0.7088 0.0213 . . . 418 LYS H . 418 LYS N 17783 1 86 . 1 1 98 98 LEU H H 1 . 1 1 98 98 LEU N N 15 0.8143 0.0244 . . . 420 LEU H . 420 LEU N 17783 1 87 . 1 1 99 99 ARG H H 1 . 1 1 99 99 ARG N N 15 0.6412 0.0192 . . . 421 ARG H . 421 ARG N 17783 1 88 . 1 1 100 100 GLN H H 1 . 1 1 100 100 GLN N N 15 0.7770 0.0233 . . . 422 GLN H . 422 GLN N 17783 1 89 . 1 1 101 101 VAL H H 1 . 1 1 101 101 VAL N N 15 0.6584 0.0198 . . . 423 VAL H . 423 VAL N 17783 1 90 . 1 1 102 102 GLN H H 1 . 1 1 102 102 GLN N N 15 0.6759 0.0203 . . . 424 GLN H . 424 GLN N 17783 1 91 . 1 1 103 103 ALA H H 1 . 1 1 103 103 ALA N N 15 0.6334 0.0190 . . . 425 ALA H . 425 ALA N 17783 1 92 . 1 1 104 104 ASP H H 1 . 1 1 104 104 ASP N N 15 0.6777 0.0203 . . . 426 ASP H . 426 ASP N 17783 1 93 . 1 1 105 105 LEU H H 1 . 1 1 105 105 LEU N N 15 0.6339 0.0190 . . . 427 LEU H . 427 LEU N 17783 1 94 . 1 1 106 106 LYS H H 1 . 1 1 106 106 LYS N N 15 0.4748 0.0142 . . . 428 LYS H . 428 LYS N 17783 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 17783 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 23 '2D 15N T1' . . . 17783 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 1 1 MET N N 15 0.6902 0.0962 . . 323 MET N 17783 1 2 . 1 1 2 2 ARG N N 15 0.6424 0.1080 . . 324 ARG N 17783 1 3 . 1 1 3 3 GLY N N 15 0.6475 0.0878 . . 325 GLY N 17783 1 4 . 1 1 4 4 SER N N 15 0.5971 0.0959 . . 326 SER N 17783 1 5 . 1 1 11 11 GLY N N 15 0.5216 0.0491 . . 333 GLY N 17783 1 6 . 1 1 12 12 SER N N 15 0.5493 0.0303 . . 334 SER N 17783 1 7 . 1 1 13 13 ASN N N 15 0.6213 0.0796 . . 335 ASN N 17783 1 8 . 1 1 14 14 ASN N N 15 0.5189 0.0709 . . 336 ASN N 17783 1 9 . 1 1 15 15 ASN N N 15 0.6355 0.0872 . . 337 ASN N 17783 1 10 . 1 1 16 16 GLY N N 15 0.5447 0.0411 . . 338 GLY N 17783 1 11 . 1 1 17 17 SER N N 15 0.4908 0.0382 . . 339 SER N 17783 1 12 . 1 1 18 18 LEU N N 15 0.5372 0.0334 . . 340 LEU N 17783 1 13 . 1 1 19 19 LYS N N 15 0.5625 0.0121 . . 341 LYS N 17783 1 14 . 1 1 20 20 SER N N 15 0.5686 0.0276 . . 342 SER N 17783 1 15 . 1 1 21 21 ALA N N 15 0.6744 0.0262 . . 343 ALA N 17783 1 16 . 1 1 23 23 SER N N 15 0.5435 0.0183 . . 345 SER N 17783 1 17 . 1 1 24 24 SER N N 15 0.5397 0.0132 . . 346 SER N 17783 1 18 . 1 1 25 25 HIS N N 15 0.5923 0.0143 . . 347 HIS N 17783 1 19 . 1 1 26 26 TYR N N 15 0.6189 0.0478 . . 348 TYR N 17783 1 20 . 1 1 27 27 THR N N 15 0.5907 0.0149 . . 349 THR N 17783 1 21 . 1 1 28 28 LEU N N 15 0.6195 0.0184 . . 350 LEU N 17783 1 22 . 1 1 29 29 GLN N N 15 0.6080 0.0168 . . 351 GLN N 17783 1 23 . 1 1 30 30 LEU N N 15 0.6104 0.0283 . . 352 LEU N 17783 1 24 . 1 1 31 31 SER N N 15 0.6066 0.0105 . . 353 SER N 17783 1 25 . 1 1 32 32 SER N N 15 0.5739 0.0278 . . 354 SER N 17783 1 26 . 1 1 33 33 SER N N 15 0.6188 0.0110 . . 355 SER N 17783 1 27 . 1 1 34 34 SER N N 15 0.5380 0.0244 . . 356 SER N 17783 1 28 . 1 1 35 35 ASN N N 15 0.6058 0.0146 . . 357 ASN N 17783 1 29 . 1 1 36 36 TYR N N 15 0.6089 0.0172 . . 358 TYR N 17783 1 30 . 1 1 37 37 ASP N N 15 0.6018 0.0254 . . 359 ASP N 17783 1 31 . 1 1 38 38 ASN N N 15 0.5861 0.0123 . . 360 ASN N 17783 1 32 . 1 1 39 39 LEU N N 15 0.6022 0.0156 . . 361 LEU N 17783 1 33 . 1 1 40 40 ASN N N 15 0.6049 0.0155 . . 362 ASN N 17783 1 34 . 1 1 41 41 GLY N N 15 0.5815 0.0128 . . 363 GLY N 17783 1 35 . 1 1 42 42 TRP N N 15 0.5785 0.0311 . . 364 TRP N 17783 1 36 . 1 1 43 43 ALA N N 15 0.5515 0.0278 . . 365 ALA N 17783 1 37 . 1 1 44 44 LYS N N 15 0.6484 0.0291 . . 366 LYS N 17783 1 38 . 1 1 45 45 LYS N N 15 0.6070 0.0234 . . 367 LYS N 17783 1 39 . 1 1 46 46 GLU N N 15 0.6160 0.0209 . . 368 GLU N 17783 1 40 . 1 1 47 47 ASN N N 15 0.6434 0.0103 . . 369 ASN N 17783 1 41 . 1 1 48 48 LEU N N 15 0.6190 0.0272 . . 370 LEU N 17783 1 42 . 1 1 49 49 LYS N N 15 0.6436 0.0203 . . 371 LYS N 17783 1 43 . 1 1 50 50 ASN N N 15 0.5505 0.0437 . . 372 ASN N 17783 1 44 . 1 1 51 51 TYR N N 15 0.6430 0.0132 . . 373 TYR N 17783 1 45 . 1 1 52 52 VAL N N 15 0.6179 0.0177 . . 374 VAL N 17783 1 46 . 1 1 53 53 VAL N N 15 0.6179 0.0076 . . 375 VAL N 17783 1 47 . 1 1 54 54 TYR N N 15 0.5875 0.0202 . . 376 TYR N 17783 1 48 . 1 1 55 55 GLU N N 15 0.6001 0.0080 . . 377 GLU N 17783 1 49 . 1 1 56 56 THR N N 15 0.6232 0.0259 . . 378 THR N 17783 1 50 . 1 1 57 57 THR N N 15 0.6467 0.0130 . . 379 THR N 17783 1 51 . 1 1 58 58 ARG N N 15 0.6773 0.0144 . . 380 ARG N 17783 1 52 . 1 1 60 60 GLY N N 15 0.5817 0.0216 . . 382 GLY N 17783 1 53 . 1 1 61 61 GLN N N 15 0.7896 0.1044 . . 383 GLN N 17783 1 54 . 1 1 63 63 TRP N N 15 0.6159 0.0393 . . 385 TRP N 17783 1 55 . 1 1 64 64 TYR N N 15 0.6106 0.0477 . . 386 TYR N 17783 1 56 . 1 1 65 65 VAL N N 15 0.6191 0.0254 . . 387 VAL N 17783 1 57 . 1 1 66 66 LEU N N 15 0.5840 0.0192 . . 388 LEU N 17783 1 58 . 1 1 67 67 VAL N N 15 0.6144 0.0214 . . 389 VAL N 17783 1 59 . 1 1 68 68 SER N N 15 0.6091 0.0121 . . 390 SER N 17783 1 60 . 1 1 69 69 GLY N N 15 0.6143 0.0147 . . 391 GLY N 17783 1 61 . 1 1 70 70 VAL N N 15 0.6327 0.0230 . . 392 VAL N 17783 1 62 . 1 1 71 71 TYR N N 15 0.6272 0.0146 . . 393 TYR N 17783 1 63 . 1 1 72 72 ALA N N 15 0.6064 0.0150 . . 394 ALA N 17783 1 64 . 1 1 73 73 SER N N 15 0.6208 0.0186 . . 395 SER N 17783 1 65 . 1 1 74 74 LYS N N 15 0.5452 0.0241 . . 396 LYS N 17783 1 66 . 1 1 75 75 GLU N N 15 0.5908 0.0199 . . 397 GLU N 17783 1 67 . 1 1 76 76 GLU N N 15 0.5719 0.0110 . . 398 GLU N 17783 1 68 . 1 1 77 77 ALA N N 15 0.6024 0.0108 . . 399 ALA N 17783 1 69 . 1 1 78 78 LYS N N 15 0.5905 0.0200 . . 400 LYS N 17783 1 70 . 1 1 79 79 LYS N N 15 0.6050 0.0344 . . 401 LYS N 17783 1 71 . 1 1 80 80 ALA N N 15 0.6076 0.0053 . . 402 ALA N 17783 1 72 . 1 1 81 81 VAL N N 15 0.5988 0.0214 . . 403 VAL N 17783 1 73 . 1 1 82 82 SER N N 15 0.6302 0.0061 . . 404 SER N 17783 1 74 . 1 1 83 83 THR N N 15 0.6082 0.0102 . . 405 THR N 17783 1 75 . 1 1 84 84 LEU N N 15 0.5889 0.0071 . . 406 LEU N 17783 1 76 . 1 1 86 86 ALA N N 15 0.5430 0.0369 . . 408 ALA N 17783 1 77 . 1 1 87 87 ASP N N 15 0.5380 0.0104 . . 409 ASP N 17783 1 78 . 1 1 88 88 VAL N N 15 0.6348 0.0086 . . 410 VAL N 17783 1 79 . 1 1 89 89 GLN N N 15 0.6000 0.0098 . . 411 GLN N 17783 1 80 . 1 1 90 90 ALA N N 15 0.5970 0.0161 . . 412 ALA N 17783 1 81 . 1 1 91 91 LYS N N 15 0.6020 0.0122 . . 413 LYS N 17783 1 82 . 1 1 92 92 ASN N N 15 0.6429 0.0205 . . 414 ASN N 17783 1 83 . 1 1 94 94 TRP N N 15 0.6209 0.0187 . . 416 TRP N 17783 1 84 . 1 1 95 95 ALA N N 15 0.6278 0.0214 . . 417 ALA N 17783 1 85 . 1 1 96 96 LYS N N 15 0.6092 0.0196 . . 418 LYS N 17783 1 86 . 1 1 98 98 LEU N N 15 0.6191 0.0282 . . 420 LEU N 17783 1 87 . 1 1 99 99 ARG N N 15 0.6098 0.0163 . . 421 ARG N 17783 1 88 . 1 1 100 100 GLN N N 15 0.6295 0.0362 . . 422 GLN N 17783 1 89 . 1 1 101 101 VAL N N 15 0.7001 0.0186 . . 423 VAL N 17783 1 90 . 1 1 102 102 GLN N N 15 0.6083 0.0290 . . 424 GLN N 17783 1 91 . 1 1 103 103 ALA N N 15 0.5823 0.0104 . . 425 ALA N 17783 1 92 . 1 1 104 104 ASP N N 15 0.6295 0.0122 . . 426 ASP N 17783 1 93 . 1 1 105 105 LEU N N 15 0.6475 0.0230 . . 427 LEU N 17783 1 94 . 1 1 106 106 LYS N N 15 0.5903 0.0066 . . 428 LYS N 17783 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 17783 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 24 '2D 15N T2' . . . 17783 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 1 1 MET N N 15 0.2606 0.1191 . . . . 323 MET N 17783 1 2 . 1 1 2 2 ARG N N 15 0.8507 0.0696 . . . . 324 ARG N 17783 1 3 . 1 1 3 3 GLY N N 15 0.2158 0.0370 . . . . 325 GLY N 17783 1 4 . 1 1 4 4 SER N N 15 0.2514 0.0559 . . . . 326 SER N 17783 1 5 . 1 1 11 11 GLY N N 15 0.1275 0.0300 . . . . 333 GLY N 17783 1 6 . 1 1 12 12 SER N N 15 0.1581 0.0206 . . . . 334 SER N 17783 1 7 . 1 1 13 13 ASN N N 15 0.1454 0.0284 . . . . 335 ASN N 17783 1 8 . 1 1 14 14 ASN N N 15 0.1426 0.0173 . . . . 336 ASN N 17783 1 9 . 1 1 15 15 ASN N N 15 0.1211 0.0179 . . . . 337 ASN N 17783 1 10 . 1 1 16 16 GLY N N 15 0.1218 0.0134 . . . . 338 GLY N 17783 1 11 . 1 1 17 17 SER N N 15 0.1115 0.0053 . . . . 339 SER N 17783 1 12 . 1 1 18 18 LEU N N 15 0.0922 0.0033 . . . . 340 LEU N 17783 1 13 . 1 1 19 19 LYS N N 15 0.0897 0.0052 . . . . 341 LYS N 17783 1 14 . 1 1 20 20 SER N N 15 0.0767 0.0029 . . . . 342 SER N 17783 1 15 . 1 1 21 21 ALA N N 15 0.1200 0.0117 . . . . 343 ALA N 17783 1 16 . 1 1 23 23 SER N N 15 0.1103 0.0050 . . . . 345 SER N 17783 1 17 . 1 1 24 24 SER N N 15 0.1165 0.0447 . . . . 346 SER N 17783 1 18 . 1 1 25 25 HIS N N 15 0.0771 0.0079 . . . . 347 HIS N 17783 1 19 . 1 1 26 26 TYR N N 15 0.1061 0.0099 . . . . 348 TYR N 17783 1 20 . 1 1 27 27 THR N N 15 0.1076 0.0060 . . . . 349 THR N 17783 1 21 . 1 1 28 28 LEU N N 15 0.1094 0.0073 . . . . 350 LEU N 17783 1 22 . 1 1 29 29 GLN N N 15 0.1020 0.0057 . . . . 351 GLN N 17783 1 23 . 1 1 30 30 LEU N N 15 0.1007 0.0034 . . . . 352 LEU N 17783 1 24 . 1 1 31 31 SER N N 15 0.1023 0.0018 . . . . 353 SER N 17783 1 25 . 1 1 32 32 SER N N 15 0.1151 0.0041 . . . . 354 SER N 17783 1 26 . 1 1 33 33 SER N N 15 0.1061 0.0026 . . . . 355 SER N 17783 1 27 . 1 1 34 34 SER N N 15 0.1107 0.0055 . . . . 356 SER N 17783 1 28 . 1 1 35 35 ASN N N 15 0.1000 0.0013 . . . . 357 ASN N 17783 1 29 . 1 1 36 36 TYR N N 15 0.1020 0.0061 . . . . 358 TYR N 17783 1 30 . 1 1 37 37 ASP N N 15 0.1068 0.0036 . . . . 359 ASP N 17783 1 31 . 1 1 38 38 ASN N N 15 0.1036 0.0055 . . . . 360 ASN N 17783 1 32 . 1 1 39 39 LEU N N 15 0.1026 0.0029 . . . . 361 LEU N 17783 1 33 . 1 1 40 40 ASN N N 15 0.1046 0.0042 . . . . 362 ASN N 17783 1 34 . 1 1 41 41 GLY N N 15 0.1031 0.0031 . . . . 363 GLY N 17783 1 35 . 1 1 42 42 TRP N N 15 0.1103 0.0029 . . . . 364 TRP N 17783 1 36 . 1 1 43 43 ALA N N 15 0.1036 0.0207 . . . . 365 ALA N 17783 1 37 . 1 1 44 44 LYS N N 15 0.1078 0.0054 . . . . 366 LYS N 17783 1 38 . 1 1 45 45 LYS N N 15 0.0990 0.0060 . . . . 367 LYS N 17783 1 39 . 1 1 46 46 GLU N N 15 0.1024 0.0020 . . . . 368 GLU N 17783 1 40 . 1 1 47 47 ASN N N 15 0.1103 0.0053 . . . . 369 ASN N 17783 1 41 . 1 1 48 48 LEU N N 15 0.1028 0.0042 . . . . 370 LEU N 17783 1 42 . 1 1 49 49 LYS N N 15 0.1202 0.0076 . . . . 371 LYS N 17783 1 43 . 1 1 50 50 ASN N N 15 0.1152 0.0069 . . . . 372 ASN N 17783 1 44 . 1 1 51 51 TYR N N 15 0.1259 0.0053 . . . . 373 TYR N 17783 1 45 . 1 1 52 52 VAL N N 15 0.1091 0.0123 . . . . 374 VAL N 17783 1 46 . 1 1 53 53 VAL N N 15 0.1171 0.0065 . . . . 375 VAL N 17783 1 47 . 1 1 54 54 TYR N N 15 0.1039 0.0088 . . . . 376 TYR N 17783 1 48 . 1 1 55 55 GLU N N 15 0.1058 0.0028 . . . . 377 GLU N 17783 1 49 . 1 1 56 56 THR N N 15 0.1032 0.0113 . . . . 378 THR N 17783 1 50 . 1 1 57 57 THR N N 15 0.1144 0.0028 . . . . 379 THR N 17783 1 51 . 1 1 58 58 ARG N N 15 0.1193 0.0105 . . . . 380 ARG N 17783 1 52 . 1 1 60 60 GLY N N 15 0.1074 0.0031 . . . . 382 GLY N 17783 1 53 . 1 1 61 61 GLN N N 15 0.1116 0.0201 . . . . 383 GLN N 17783 1 54 . 1 1 63 63 TRP N N 15 0.1026 0.0041 . . . . 385 TRP N 17783 1 55 . 1 1 64 64 TYR N N 15 0.1050 0.0037 . . . . 386 TYR N 17783 1 56 . 1 1 65 65 VAL N N 15 0.1009 0.0061 . . . . 387 VAL N 17783 1 57 . 1 1 66 66 LEU N N 15 0.1039 0.0044 . . . . 388 LEU N 17783 1 58 . 1 1 67 67 VAL N N 15 0.0936 0.0107 . . . . 389 VAL N 17783 1 59 . 1 1 68 68 SER N N 15 0.1041 0.0039 . . . . 390 SER N 17783 1 60 . 1 1 69 69 GLY N N 15 0.1029 0.0039 . . . . 391 GLY N 17783 1 61 . 1 1 70 70 VAL N N 15 0.1110 0.0036 . . . . 392 VAL N 17783 1 62 . 1 1 71 71 TYR N N 15 0.1144 0.0146 . . . . 393 TYR N 17783 1 63 . 1 1 72 72 ALA N N 15 0.1132 0.0044 . . . . 394 ALA N 17783 1 64 . 1 1 73 73 SER N N 15 0.0995 0.0021 . . . . 395 SER N 17783 1 65 . 1 1 74 74 LYS N N 15 0.1029 0.0062 . . . . 396 LYS N 17783 1 66 . 1 1 75 75 GLU N N 15 0.1074 0.0068 . . . . 397 GLU N 17783 1 67 . 1 1 76 76 GLU N N 15 0.1041 0.0090 . . . . 398 GLU N 17783 1 68 . 1 1 77 77 ALA N N 15 0.1028 0.0030 . . . . 399 ALA N 17783 1 69 . 1 1 78 78 LYS N N 15 0.0978 0.0051 . . . . 400 LYS N 17783 1 70 . 1 1 79 79 LYS N N 15 0.1096 0.0031 . . . . 401 LYS N 17783 1 71 . 1 1 80 80 ALA N N 15 0.1042 0.0060 . . . . 402 ALA N 17783 1 72 . 1 1 81 81 VAL N N 15 0.1010 0.0066 . . . . 403 VAL N 17783 1 73 . 1 1 82 82 SER N N 15 0.0971 0.0055 . . . . 404 SER N 17783 1 74 . 1 1 83 83 THR N N 15 0.1002 0.0020 . . . . 405 THR N 17783 1 75 . 1 1 84 84 LEU N N 15 0.1057 0.0032 . . . . 406 LEU N 17783 1 76 . 1 1 86 86 ALA N N 15 0.0862 0.0047 . . . . 408 ALA N 17783 1 77 . 1 1 87 87 ASP N N 15 0.1045 0.0032 . . . . 409 ASP N 17783 1 78 . 1 1 88 88 VAL N N 15 0.1088 0.0052 . . . . 410 VAL N 17783 1 79 . 1 1 89 89 GLN N N 15 0.1076 0.0081 . . . . 411 GLN N 17783 1 80 . 1 1 90 90 ALA N N 15 0.1035 0.0058 . . . . 412 ALA N 17783 1 81 . 1 1 91 91 LYS N N 15 0.1136 0.0046 . . . . 413 LYS N 17783 1 82 . 1 1 92 92 ASN N N 15 0.1054 0.0020 . . . . 414 ASN N 17783 1 83 . 1 1 94 94 TRP N N 15 0.1013 0.0038 . . . . 416 TRP N 17783 1 84 . 1 1 95 95 ALA N N 15 0.1133 0.0033 . . . . 417 ALA N 17783 1 85 . 1 1 96 96 LYS N N 15 0.0845 0.0066 . . . . 418 LYS N 17783 1 86 . 1 1 98 98 LEU N N 15 0.0927 0.0052 . . . . 420 LEU N 17783 1 87 . 1 1 99 99 ARG N N 15 0.0901 0.0027 . . . . 421 ARG N 17783 1 88 . 1 1 100 100 GLN N N 15 0.0894 0.0048 . . . . 422 GLN N 17783 1 89 . 1 1 101 101 VAL N N 15 0.1098 0.0041 . . . . 423 VAL N 17783 1 90 . 1 1 102 102 GLN N N 15 0.0635 0.0030 . . . . 424 GLN N 17783 1 91 . 1 1 103 103 ALA N N 15 0.0931 0.0072 . . . . 425 ALA N 17783 1 92 . 1 1 104 104 ASP N N 15 0.1138 0.0053 . . . . 426 ASP N 17783 1 93 . 1 1 105 105 LEU N N 15 0.1207 0.0058 . . . . 427 LEU N 17783 1 94 . 1 1 106 106 LYS N N 15 0.2025 0.0156 . . . . 428 LYS N 17783 1 stop_ save_