data_19526 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19526 _Entry.Title ; Solution NMR structure of SLED domain of Scml2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-09-24 _Entry.Accession_date 2013-09-24 _Entry.Last_release_date 2014-04-22 _Entry.Original_release_date 2014-04-22 _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 'Solution NMR structure of SLED domain from Sex Comb on Midleg-like 2 (Scml2)' _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 Irina Bezsonova . . . 19526 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' . 19526 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PcG . 19526 PRC1 . 19526 Scml2 . 19526 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19526 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 468 19526 '15N chemical shifts' 115 19526 '1H chemical shifts' 759 19526 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-04-22 2013-09-24 original author . 19526 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1OI1 'MBT domains of Scml2' 19526 PDB 2BIV 'MBT domains of Scml2' 19526 PDB 2VYT 'MBT domains of Scml2' 19526 PDB 4EDU 'MBT domains of Scml2' 19526 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19526 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24727478 _Citation.Full_citation . _Citation.Title 'Solution NMR Structure of the DNA-binding Domain from Scml2 (Sex Comb onMidleg-like 2)' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2014 _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 Irina Bezsonova . . . 19526 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19526 _Assembly.ID 1 _Assembly.Name 'SLED domain of Scml2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'SLED domain of Scml2' 1 $SLED_Scml2 A . yes native no no . . . 19526 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SLED_Scml2 _Entity.Sf_category entity _Entity.Sf_framecode SLED_Scml2 _Entity.Entry_ID 19526 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SLED_Scml2 _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 ; GSHMMSTVCVYVNKHGNFGP HLDPKRIQQLPDHFGPGPVN VVLRRIVQACVDCALETKTV FGYLKPDNRGGEVITASFDG ETHSIQLPPVNSASFALRFL ENFCHSLQCDNLLSSQPFS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13112.994 _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 2MEM . "Solution Nmr Structure Of Sled Domain Of Scml2" . . . . . 100.00 119 100.00 100.00 8.91e-82 . . . . 19526 1 2 no DBJ BAG61234 . "unnamed protein product [Homo sapiens]" . . . . . 97.48 345 99.14 100.00 2.00e-78 . . . . 19526 1 3 no DBJ BAG64181 . "unnamed protein product [Homo sapiens]" . . . . . 97.48 577 99.14 100.00 1.22e-75 . . . . 19526 1 4 no EMBL CAB38943 . "SCML2 protein [Homo sapiens]" . . . . . 97.48 700 99.14 100.00 1.13e-74 . . . . 19526 1 5 no GB AAH51913 . "SCML2 protein, partial [Homo sapiens]" . . . . . 97.48 733 99.14 100.00 1.19e-74 . . . . 19526 1 6 no GB AAH64617 . "Sex comb on midleg-like 2 (Drosophila) [Homo sapiens]" . . . . . 97.48 700 99.14 100.00 1.13e-74 . . . . 19526 1 7 no GB ABM54391 . "SCML2 [Pan paniscus]" . . . . . 52.94 99 98.41 100.00 2.15e-37 . . . . 19526 1 8 no GB ABM67362 . "SCML2 [Hylobates klossii]" . . . . . 50.42 96 98.33 100.00 5.38e-35 . . . . 19526 1 9 no GB EAW98937 . "sex comb on midleg-like 2 (Drosophila), isoform CRA_a [Homo sapiens]" . . . . . 97.48 700 99.14 100.00 1.13e-74 . . . . 19526 1 10 no REF NP_001248288 . "sex comb on midleg-like protein 2 [Macaca mulatta]" . . . . . 97.48 701 99.14 100.00 7.83e-75 . . . . 19526 1 11 no REF NP_006080 . "sex comb on midleg-like protein 2 [Homo sapiens]" . . . . . 97.48 700 99.14 100.00 1.13e-74 . . . . 19526 1 12 no REF XP_003819585 . "PREDICTED: sex comb on midleg-like protein 2 isoform X1 [Pan paniscus]" . . . . . 97.48 700 99.14 100.00 8.46e-75 . . . . 19526 1 13 no REF XP_003924181 . "PREDICTED: sex comb on midleg-like protein 2 isoform X1 [Saimiri boliviensis boliviensis]" . . . . . 97.48 701 99.14 100.00 1.42e-74 . . . . 19526 1 14 no REF XP_004063918 . "PREDICTED: sex comb on midleg-like protein 2 [Gorilla gorilla gorilla]" . . . . . 97.48 671 99.14 100.00 1.18e-74 . . . . 19526 1 15 no SP Q9UQR0 . "RecName: Full=Sex comb on midleg-like protein 2" . . . . . 97.48 700 99.14 100.00 1.13e-74 . . . . 19526 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 1 350 GLY . 19526 1 2 351 SER . 19526 1 3 352 HIS . 19526 1 4 353 MET . 19526 1 5 354 MET . 19526 1 6 355 SER . 19526 1 7 356 THR . 19526 1 8 357 VAL . 19526 1 9 358 CYS . 19526 1 10 359 VAL . 19526 1 11 360 TYR . 19526 1 12 361 VAL . 19526 1 13 362 ASN . 19526 1 14 363 LYS . 19526 1 15 364 HIS . 19526 1 16 365 GLY . 19526 1 17 366 ASN . 19526 1 18 367 PHE . 19526 1 19 368 GLY . 19526 1 20 369 PRO . 19526 1 21 370 HIS . 19526 1 22 371 LEU . 19526 1 23 372 ASP . 19526 1 24 373 PRO . 19526 1 25 374 LYS . 19526 1 26 375 ARG . 19526 1 27 376 ILE . 19526 1 28 377 GLN . 19526 1 29 378 GLN . 19526 1 30 379 LEU . 19526 1 31 380 PRO . 19526 1 32 381 ASP . 19526 1 33 382 HIS . 19526 1 34 383 PHE . 19526 1 35 384 GLY . 19526 1 36 385 PRO . 19526 1 37 386 GLY . 19526 1 38 387 PRO . 19526 1 39 388 VAL . 19526 1 40 389 ASN . 19526 1 41 390 VAL . 19526 1 42 391 VAL . 19526 1 43 392 LEU . 19526 1 44 393 ARG . 19526 1 45 394 ARG . 19526 1 46 395 ILE . 19526 1 47 396 VAL . 19526 1 48 397 GLN . 19526 1 49 398 ALA . 19526 1 50 399 CYS . 19526 1 51 400 VAL . 19526 1 52 401 ASP . 19526 1 53 402 CYS . 19526 1 54 403 ALA . 19526 1 55 404 LEU . 19526 1 56 405 GLU . 19526 1 57 406 THR . 19526 1 58 407 LYS . 19526 1 59 408 THR . 19526 1 60 409 VAL . 19526 1 61 410 PHE . 19526 1 62 411 GLY . 19526 1 63 412 TYR . 19526 1 64 413 LEU . 19526 1 65 414 LYS . 19526 1 66 415 PRO . 19526 1 67 416 ASP . 19526 1 68 417 ASN . 19526 1 69 418 ARG . 19526 1 70 419 GLY . 19526 1 71 420 GLY . 19526 1 72 421 GLU . 19526 1 73 422 VAL . 19526 1 74 423 ILE . 19526 1 75 424 THR . 19526 1 76 425 ALA . 19526 1 77 426 SER . 19526 1 78 427 PHE . 19526 1 79 428 ASP . 19526 1 80 429 GLY . 19526 1 81 430 GLU . 19526 1 82 431 THR . 19526 1 83 432 HIS . 19526 1 84 433 SER . 19526 1 85 434 ILE . 19526 1 86 435 GLN . 19526 1 87 436 LEU . 19526 1 88 437 PRO . 19526 1 89 438 PRO . 19526 1 90 439 VAL . 19526 1 91 440 ASN . 19526 1 92 441 SER . 19526 1 93 442 ALA . 19526 1 94 443 SER . 19526 1 95 444 PHE . 19526 1 96 445 ALA . 19526 1 97 446 LEU . 19526 1 98 447 ARG . 19526 1 99 448 PHE . 19526 1 100 449 LEU . 19526 1 101 450 GLU . 19526 1 102 451 ASN . 19526 1 103 452 PHE . 19526 1 104 453 CYS . 19526 1 105 454 HIS . 19526 1 106 455 SER . 19526 1 107 456 LEU . 19526 1 108 457 GLN . 19526 1 109 458 CYS . 19526 1 110 459 ASP . 19526 1 111 460 ASN . 19526 1 112 461 LEU . 19526 1 113 462 LEU . 19526 1 114 463 SER . 19526 1 115 464 SER . 19526 1 116 465 GLN . 19526 1 117 466 PRO . 19526 1 118 467 PHE . 19526 1 119 468 SER . 19526 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19526 1 . SER 2 2 19526 1 . HIS 3 3 19526 1 . MET 4 4 19526 1 . MET 5 5 19526 1 . SER 6 6 19526 1 . THR 7 7 19526 1 . VAL 8 8 19526 1 . CYS 9 9 19526 1 . VAL 10 10 19526 1 . TYR 11 11 19526 1 . VAL 12 12 19526 1 . ASN 13 13 19526 1 . LYS 14 14 19526 1 . HIS 15 15 19526 1 . GLY 16 16 19526 1 . ASN 17 17 19526 1 . PHE 18 18 19526 1 . GLY 19 19 19526 1 . PRO 20 20 19526 1 . HIS 21 21 19526 1 . LEU 22 22 19526 1 . ASP 23 23 19526 1 . PRO 24 24 19526 1 . LYS 25 25 19526 1 . ARG 26 26 19526 1 . ILE 27 27 19526 1 . GLN 28 28 19526 1 . GLN 29 29 19526 1 . LEU 30 30 19526 1 . PRO 31 31 19526 1 . ASP 32 32 19526 1 . HIS 33 33 19526 1 . PHE 34 34 19526 1 . GLY 35 35 19526 1 . PRO 36 36 19526 1 . GLY 37 37 19526 1 . PRO 38 38 19526 1 . VAL 39 39 19526 1 . ASN 40 40 19526 1 . VAL 41 41 19526 1 . VAL 42 42 19526 1 . LEU 43 43 19526 1 . ARG 44 44 19526 1 . ARG 45 45 19526 1 . ILE 46 46 19526 1 . VAL 47 47 19526 1 . GLN 48 48 19526 1 . ALA 49 49 19526 1 . CYS 50 50 19526 1 . VAL 51 51 19526 1 . ASP 52 52 19526 1 . CYS 53 53 19526 1 . ALA 54 54 19526 1 . LEU 55 55 19526 1 . GLU 56 56 19526 1 . THR 57 57 19526 1 . LYS 58 58 19526 1 . THR 59 59 19526 1 . VAL 60 60 19526 1 . PHE 61 61 19526 1 . GLY 62 62 19526 1 . TYR 63 63 19526 1 . LEU 64 64 19526 1 . LYS 65 65 19526 1 . PRO 66 66 19526 1 . ASP 67 67 19526 1 . ASN 68 68 19526 1 . ARG 69 69 19526 1 . GLY 70 70 19526 1 . GLY 71 71 19526 1 . GLU 72 72 19526 1 . VAL 73 73 19526 1 . ILE 74 74 19526 1 . THR 75 75 19526 1 . ALA 76 76 19526 1 . SER 77 77 19526 1 . PHE 78 78 19526 1 . ASP 79 79 19526 1 . GLY 80 80 19526 1 . GLU 81 81 19526 1 . THR 82 82 19526 1 . HIS 83 83 19526 1 . SER 84 84 19526 1 . ILE 85 85 19526 1 . GLN 86 86 19526 1 . LEU 87 87 19526 1 . PRO 88 88 19526 1 . PRO 89 89 19526 1 . VAL 90 90 19526 1 . ASN 91 91 19526 1 . SER 92 92 19526 1 . ALA 93 93 19526 1 . SER 94 94 19526 1 . PHE 95 95 19526 1 . ALA 96 96 19526 1 . LEU 97 97 19526 1 . ARG 98 98 19526 1 . PHE 99 99 19526 1 . LEU 100 100 19526 1 . GLU 101 101 19526 1 . ASN 102 102 19526 1 . PHE 103 103 19526 1 . CYS 104 104 19526 1 . HIS 105 105 19526 1 . SER 106 106 19526 1 . LEU 107 107 19526 1 . GLN 108 108 19526 1 . CYS 109 109 19526 1 . ASP 110 110 19526 1 . ASN 111 111 19526 1 . LEU 112 112 19526 1 . LEU 113 113 19526 1 . SER 114 114 19526 1 . SER 115 115 19526 1 . GLN 116 116 19526 1 . PRO 117 117 19526 1 . PHE 118 118 19526 1 . SER 119 119 19526 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 19526 _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 $SLED_Scml2 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19526 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 19526 _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 $SLED_Scml2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28b . . . . . . 19526 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19526 _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 SLED_Scml2 '[U-100% 13C; U-100% 15N]' . . 1 $SLED_Scml2 . . . 0.3 1.0 mM . . . . 19526 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 19526 1 3 NaCl 'natural abundance' . . . . . . 250 . . mM . . . . 19526 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19526 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19526 1 6 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19526 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19526 _Sample_condition_list.ID 1 _Sample_condition_list.Details '50 mM HEPES, pH 7.2, 250 mM NaCl, 2mM DTT' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 250 . mM 19526 1 pH 7.2 . pH 19526 1 pressure 1 . atm 19526 1 temperature 273 . K 19526 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19526 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19526 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19526 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19526 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19526 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19526 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19526 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19526 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19526 3 'data analysis' 19526 3 'peak picking' 19526 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19526 _Software.ID 4 _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' . . 19526 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19526 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19526 _Software.ID 5 _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' . . 19526 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19526 5 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 19526 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19526 _NMR_spectrometer.ID 2 _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 19526 _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 . 800 . . . 19526 1 2 spectrometer_2 Varian INOVA . 600 . . . 19526 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 19526 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19526 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19526 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19526 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19526 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19526 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19526 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19526 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19526 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19526 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19526 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 19526 _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 DSS 'methyl carbons' . . . . ppm 0 na indirect 0.2514 . . . . . . . . . 19526 1 H 1 DSS 'methyl carbons' . . . . ppm 0 internal direct 1.0000 . . . . . . . . . 19526 1 N 15 DSS 'methyl carbons' . . . . ppm 0 na indirect 0.1010 . . . . . . . . . 19526 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 19526 _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' . . . 19526 1 2 '2D 1H-13C HSQC' . . . 19526 1 3 '3D CBCA(CO)NH' . . . 19526 1 4 '3D HNCO' . . . 19526 1 5 '3D HNCA' . . . 19526 1 6 '3D HNCACB' . . . 19526 1 7 '3D HBHA(CO)NH' . . . 19526 1 8 '3D HCCH-TOCSY' . . . 19526 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 3 3 HIS HA H 1 4.523 0.04 . 1 . . . A 352 HIS HA . 19526 1 2 . 1 1 3 3 HIS HB2 H 1 3.010 0.04 . 2 . . . A 352 HIS HB2 . 19526 1 3 . 1 1 3 3 HIS HB3 H 1 2.952 0.04 . 2 . . . A 352 HIS HB3 . 19526 1 4 . 1 1 3 3 HIS C C 13 175.278 0.40 . 1 . . . A 352 HIS C . 19526 1 5 . 1 1 3 3 HIS CA C 13 56.560 0.40 . 1 . . . A 352 HIS CA . 19526 1 6 . 1 1 3 3 HIS CB C 13 30.832 0.40 . 1 . . . A 352 HIS CB . 19526 1 7 . 1 1 4 4 MET H H 1 8.237 0.04 . 1 . . . A 353 MET H . 19526 1 8 . 1 1 4 4 MET HA H 1 3.712 0.04 . 1 . . . A 353 MET HA . 19526 1 9 . 1 1 4 4 MET HB2 H 1 1.840 0.04 . 2 . . . A 353 MET HB2 . 19526 1 10 . 1 1 4 4 MET HB3 H 1 1.970 0.04 . 2 . . . A 353 MET HB3 . 19526 1 11 . 1 1 4 4 MET HG2 H 1 2.406 0.04 . 2 . . . A 353 MET HG2 . 19526 1 12 . 1 1 4 4 MET HG3 H 1 2.325 0.04 . 2 . . . A 353 MET HG3 . 19526 1 13 . 1 1 4 4 MET CA C 13 55.533 0.40 . 1 . . . A 353 MET CA . 19526 1 14 . 1 1 4 4 MET CB C 13 32.769 0.40 . 1 . . . A 353 MET CB . 19526 1 15 . 1 1 4 4 MET CG C 13 31.881 0.40 . 1 . . . A 353 MET CG . 19526 1 16 . 1 1 4 4 MET N N 15 121.809 0.40 . 1 . . . A 353 MET N . 19526 1 17 . 1 1 5 5 MET HA H 1 4.566 0.04 . 1 . . . A 354 MET HA . 19526 1 18 . 1 1 5 5 MET HB2 H 1 2.025 0.04 . 2 . . . A 354 MET HB2 . 19526 1 19 . 1 1 5 5 MET HB3 H 1 2.025 0.04 . 2 . . . A 354 MET HB3 . 19526 1 20 . 1 1 5 5 MET HG2 H 1 2.561 0.04 . 2 . . . A 354 MET HG2 . 19526 1 21 . 1 1 5 5 MET HG3 H 1 2.613 0.04 . 2 . . . A 354 MET HG3 . 19526 1 22 . 1 1 5 5 MET C C 13 176.111 0.40 . 1 . . . A 354 MET C . 19526 1 23 . 1 1 5 5 MET CA C 13 55.274 0.40 . 1 . . . A 354 MET CA . 19526 1 24 . 1 1 5 5 MET CB C 13 32.729 0.40 . 1 . . . A 354 MET CB . 19526 1 25 . 1 1 5 5 MET CG C 13 31.879 0.40 . 1 . . . A 354 MET CG . 19526 1 26 . 1 1 6 6 SER H H 1 8.302 0.04 . 1 . . . A 355 SER H . 19526 1 27 . 1 1 6 6 SER HA H 1 4.464 0.04 . 1 . . . A 355 SER HA . 19526 1 28 . 1 1 6 6 SER HB2 H 1 3.836 0.04 . 2 . . . A 355 SER HB2 . 19526 1 29 . 1 1 6 6 SER HB3 H 1 3.836 0.04 . 2 . . . A 355 SER HB3 . 19526 1 30 . 1 1 6 6 SER C C 13 173.575 0.40 . 1 . . . A 355 SER C . 19526 1 31 . 1 1 6 6 SER CA C 13 58.925 0.40 . 1 . . . A 355 SER CA . 19526 1 32 . 1 1 6 6 SER CB C 13 64.029 0.40 . 1 . . . A 355 SER CB . 19526 1 33 . 1 1 6 6 SER N N 15 118.671 0.40 . 1 . . . A 355 SER N . 19526 1 34 . 1 1 7 7 THR H H 1 8.011 0.04 . 1 . . . A 356 THR H . 19526 1 35 . 1 1 7 7 THR HA H 1 4.834 0.04 . 1 . . . A 356 THR HA . 19526 1 36 . 1 1 7 7 THR HB H 1 3.760 0.04 . 1 . . . A 356 THR HB . 19526 1 37 . 1 1 7 7 THR HG21 H 1 0.954 0.04 . 1 . . . A 356 THR HG21 . 19526 1 38 . 1 1 7 7 THR HG22 H 1 0.954 0.04 . 1 . . . A 356 THR HG22 . 19526 1 39 . 1 1 7 7 THR HG23 H 1 0.954 0.04 . 1 . . . A 356 THR HG23 . 19526 1 40 . 1 1 7 7 THR C C 13 173.087 0.40 . 1 . . . A 356 THR C . 19526 1 41 . 1 1 7 7 THR CA C 13 60.303 0.40 . 1 . . . A 356 THR CA . 19526 1 42 . 1 1 7 7 THR CB C 13 72.009 0.40 . 1 . . . A 356 THR CB . 19526 1 43 . 1 1 7 7 THR CG2 C 13 21.327 0.40 . 1 . . . A 356 THR CG2 . 19526 1 44 . 1 1 7 7 THR N N 15 115.456 0.40 . 1 . . . A 356 THR N . 19526 1 45 . 1 1 8 8 VAL H H 1 8.562 0.04 . 1 . . . A 357 VAL H . 19526 1 46 . 1 1 8 8 VAL HA H 1 4.481 0.04 . 1 . . . A 357 VAL HA . 19526 1 47 . 1 1 8 8 VAL HB H 1 1.787 0.04 . 1 . . . A 357 VAL HB . 19526 1 48 . 1 1 8 8 VAL HG11 H 1 0.879 0.04 . 2 . . . A 357 VAL HG11 . 19526 1 49 . 1 1 8 8 VAL HG12 H 1 0.879 0.04 . 2 . . . A 357 VAL HG12 . 19526 1 50 . 1 1 8 8 VAL HG13 H 1 0.879 0.04 . 2 . . . A 357 VAL HG13 . 19526 1 51 . 1 1 8 8 VAL HG21 H 1 0.603 0.04 . 2 . . . A 357 VAL HG21 . 19526 1 52 . 1 1 8 8 VAL HG22 H 1 0.603 0.04 . 2 . . . A 357 VAL HG22 . 19526 1 53 . 1 1 8 8 VAL HG23 H 1 0.603 0.04 . 2 . . . A 357 VAL HG23 . 19526 1 54 . 1 1 8 8 VAL C C 13 171.401 0.40 . 1 . . . A 357 VAL C . 19526 1 55 . 1 1 8 8 VAL CA C 13 60.284 0.40 . 1 . . . A 357 VAL CA . 19526 1 56 . 1 1 8 8 VAL CB C 13 35.849 0.40 . 1 . . . A 357 VAL CB . 19526 1 57 . 1 1 8 8 VAL CG1 C 13 21.393 0.40 . 2 . . . A 357 VAL CG1 . 19526 1 58 . 1 1 8 8 VAL CG2 C 13 20.091 0.40 . 2 . . . A 357 VAL CG2 . 19526 1 59 . 1 1 8 8 VAL N N 15 117.923 0.40 . 1 . . . A 357 VAL N . 19526 1 60 . 1 1 9 9 CYS H H 1 7.865 0.04 . 1 . . . A 358 CYS H . 19526 1 61 . 1 1 9 9 CYS HA H 1 4.976 0.04 . 1 . . . A 358 CYS HA . 19526 1 62 . 1 1 9 9 CYS HB2 H 1 2.607 0.04 . 2 . . . A 358 CYS HB2 . 19526 1 63 . 1 1 9 9 CYS HB3 H 1 2.182 0.04 . 2 . . . A 358 CYS HB3 . 19526 1 64 . 1 1 9 9 CYS C C 13 172.572 0.40 . 1 . . . A 358 CYS C . 19526 1 65 . 1 1 9 9 CYS CA C 13 57.114 0.40 . 1 . . . A 358 CYS CA . 19526 1 66 . 1 1 9 9 CYS CB C 13 29.140 0.40 . 1 . . . A 358 CYS CB . 19526 1 67 . 1 1 9 9 CYS N N 15 125.284 0.40 . 1 . . . A 358 CYS N . 19526 1 68 . 1 1 10 10 VAL H H 1 8.481 0.04 . 1 . . . A 359 VAL H . 19526 1 69 . 1 1 10 10 VAL HA H 1 4.355 0.04 . 1 . . . A 359 VAL HA . 19526 1 70 . 1 1 10 10 VAL HB H 1 1.608 0.04 . 1 . . . A 359 VAL HB . 19526 1 71 . 1 1 10 10 VAL HG11 H 1 0.789 0.04 . 2 . . . A 359 VAL HG11 . 19526 1 72 . 1 1 10 10 VAL HG12 H 1 0.789 0.04 . 2 . . . A 359 VAL HG12 . 19526 1 73 . 1 1 10 10 VAL HG13 H 1 0.789 0.04 . 2 . . . A 359 VAL HG13 . 19526 1 74 . 1 1 10 10 VAL HG21 H 1 0.503 0.04 . 2 . . . A 359 VAL HG21 . 19526 1 75 . 1 1 10 10 VAL HG22 H 1 0.503 0.04 . 2 . . . A 359 VAL HG22 . 19526 1 76 . 1 1 10 10 VAL HG23 H 1 0.503 0.04 . 2 . . . A 359 VAL HG23 . 19526 1 77 . 1 1 10 10 VAL C C 13 173.812 0.40 . 1 . . . A 359 VAL C . 19526 1 78 . 1 1 10 10 VAL CA C 13 60.846 0.40 . 1 . . . A 359 VAL CA . 19526 1 79 . 1 1 10 10 VAL CB C 13 35.405 0.40 . 1 . . . A 359 VAL CB . 19526 1 80 . 1 1 10 10 VAL CG1 C 13 23.007 0.40 . 2 . . . A 359 VAL CG1 . 19526 1 81 . 1 1 10 10 VAL CG2 C 13 21.193 0.40 . 2 . . . A 359 VAL CG2 . 19526 1 82 . 1 1 10 10 VAL N N 15 125.792 0.40 . 1 . . . A 359 VAL N . 19526 1 83 . 1 1 11 11 TYR H H 1 9.475 0.04 . 1 . . . A 360 TYR H . 19526 1 84 . 1 1 11 11 TYR HA H 1 4.629 0.04 . 1 . . . A 360 TYR HA . 19526 1 85 . 1 1 11 11 TYR HB2 H 1 3.246 0.04 . 2 . . . A 360 TYR HB2 . 19526 1 86 . 1 1 11 11 TYR HB3 H 1 2.734 0.04 . 2 . . . A 360 TYR HB3 . 19526 1 87 . 1 1 11 11 TYR HD1 H 1 6.396 0.04 . 3 . . . A 360 TYR HD1 . 19526 1 88 . 1 1 11 11 TYR HE1 H 1 6.396 0.04 . 3 . . . A 360 TYR HE1 . 19526 1 89 . 1 1 11 11 TYR C C 13 174.724 0.40 . 1 . . . A 360 TYR C . 19526 1 90 . 1 1 11 11 TYR CA C 13 58.565 0.40 . 1 . . . A 360 TYR CA . 19526 1 91 . 1 1 11 11 TYR CB C 13 40.074 0.40 . 1 . . . A 360 TYR CB . 19526 1 92 . 1 1 11 11 TYR CD1 C 13 133.925 0.40 . 3 . . . A 360 TYR CD1 . 19526 1 93 . 1 1 11 11 TYR CE1 C 13 117.421 0.40 . 3 . . . A 360 TYR CE1 . 19526 1 94 . 1 1 11 11 TYR N N 15 127.355 0.40 . 1 . . . A 360 TYR N . 19526 1 95 . 1 1 12 12 VAL H H 1 7.988 0.04 . 1 . . . A 361 VAL H . 19526 1 96 . 1 1 12 12 VAL HA H 1 4.631 0.04 . 1 . . . A 361 VAL HA . 19526 1 97 . 1 1 12 12 VAL HB H 1 1.915 0.04 . 1 . . . A 361 VAL HB . 19526 1 98 . 1 1 12 12 VAL HG11 H 1 0.799 0.04 . 2 . . . A 361 VAL HG11 . 19526 1 99 . 1 1 12 12 VAL HG12 H 1 0.799 0.04 . 2 . . . A 361 VAL HG12 . 19526 1 100 . 1 1 12 12 VAL HG13 H 1 0.799 0.04 . 2 . . . A 361 VAL HG13 . 19526 1 101 . 1 1 12 12 VAL HG21 H 1 0.587 0.04 . 2 . . . A 361 VAL HG21 . 19526 1 102 . 1 1 12 12 VAL HG22 H 1 0.587 0.04 . 2 . . . A 361 VAL HG22 . 19526 1 103 . 1 1 12 12 VAL HG23 H 1 0.587 0.04 . 2 . . . A 361 VAL HG23 . 19526 1 104 . 1 1 12 12 VAL C C 13 175.388 0.40 . 1 . . . A 361 VAL C . 19526 1 105 . 1 1 12 12 VAL CA C 13 60.913 0.40 . 1 . . . A 361 VAL CA . 19526 1 106 . 1 1 12 12 VAL CB C 13 34.079 0.40 . 1 . . . A 361 VAL CB . 19526 1 107 . 1 1 12 12 VAL CG1 C 13 21.371 0.40 . 2 . . . A 361 VAL CG1 . 19526 1 108 . 1 1 12 12 VAL CG2 C 13 20.951 0.40 . 2 . . . A 361 VAL CG2 . 19526 1 109 . 1 1 12 12 VAL N N 15 120.276 0.40 . 1 . . . A 361 VAL N . 19526 1 110 . 1 1 13 13 ASN H H 1 9.161 0.04 . 1 . . . A 362 ASN H . 19526 1 111 . 1 1 13 13 ASN HA H 1 4.017 0.04 . 1 . . . A 362 ASN HA . 19526 1 112 . 1 1 13 13 ASN HB2 H 1 2.714 0.04 . 2 . . . A 362 ASN HB2 . 19526 1 113 . 1 1 13 13 ASN HB3 H 1 0.731 0.04 . 2 . . . A 362 ASN HB3 . 19526 1 114 . 1 1 13 13 ASN HD21 H 1 6.641 0.04 . 2 . . . A 362 ASN HD21 . 19526 1 115 . 1 1 13 13 ASN HD22 H 1 6.641 0.04 . 2 . . . A 362 ASN HD22 . 19526 1 116 . 1 1 13 13 ASN C C 13 175.159 0.40 . 1 . . . A 362 ASN C . 19526 1 117 . 1 1 13 13 ASN CA C 13 51.243 0.40 . 1 . . . A 362 ASN CA . 19526 1 118 . 1 1 13 13 ASN CB C 13 36.264 0.40 . 1 . . . A 362 ASN CB . 19526 1 119 . 1 1 13 13 ASN N N 15 126.964 0.40 . 1 . . . A 362 ASN N . 19526 1 120 . 1 1 13 13 ASN ND2 N 15 110.307 0.40 . 1 . . . A 362 ASN ND2 . 19526 1 121 . 1 1 14 14 LYS H H 1 8.314 0.04 . 1 . . . A 363 LYS H . 19526 1 122 . 1 1 14 14 LYS HA H 1 3.870 0.04 . 1 . . . A 363 LYS HA . 19526 1 123 . 1 1 14 14 LYS HB2 H 1 1.838 0.04 . 2 . . . A 363 LYS HB2 . 19526 1 124 . 1 1 14 14 LYS HB3 H 1 1.391 0.04 . 2 . . . A 363 LYS HB3 . 19526 1 125 . 1 1 14 14 LYS HG2 H 1 1.353 0.04 . 2 . . . A 363 LYS HG2 . 19526 1 126 . 1 1 14 14 LYS HG3 H 1 1.078 0.04 . 2 . . . A 363 LYS HG3 . 19526 1 127 . 1 1 14 14 LYS HD2 H 1 1.449 0.04 . 2 . . . A 363 LYS HD2 . 19526 1 128 . 1 1 14 14 LYS HD3 H 1 1.428 0.04 . 2 . . . A 363 LYS HD3 . 19526 1 129 . 1 1 14 14 LYS HE2 H 1 2.878 0.04 . 2 . . . A 363 LYS HE2 . 19526 1 130 . 1 1 14 14 LYS HE3 H 1 2.494 0.04 . 2 . . . A 363 LYS HE3 . 19526 1 131 . 1 1 14 14 LYS C C 13 176.047 0.40 . 1 . . . A 363 LYS C . 19526 1 132 . 1 1 14 14 LYS CA C 13 57.107 0.40 . 1 . . . A 363 LYS CA . 19526 1 133 . 1 1 14 14 LYS CB C 13 31.373 0.40 . 1 . . . A 363 LYS CB . 19526 1 134 . 1 1 14 14 LYS CG C 13 26.165 0.40 . 1 . . . A 363 LYS CG . 19526 1 135 . 1 1 14 14 LYS CD C 13 29.080 0.40 . 1 . . . A 363 LYS CD . 19526 1 136 . 1 1 14 14 LYS CE C 13 42.551 0.40 . 1 . . . A 363 LYS CE . 19526 1 137 . 1 1 14 14 LYS N N 15 123.352 0.40 . 1 . . . A 363 LYS N . 19526 1 138 . 1 1 15 15 HIS H H 1 7.570 0.04 . 1 . . . A 364 HIS H . 19526 1 139 . 1 1 15 15 HIS HA H 1 4.689 0.04 . 1 . . . A 364 HIS HA . 19526 1 140 . 1 1 15 15 HIS HB2 H 1 3.218 0.04 . 2 . . . A 364 HIS HB2 . 19526 1 141 . 1 1 15 15 HIS HB3 H 1 2.763 0.04 . 2 . . . A 364 HIS HB3 . 19526 1 142 . 1 1 15 15 HIS HD2 H 1 6.971 0.04 . 1 . . . A 364 HIS HD2 . 19526 1 143 . 1 1 15 15 HIS C C 13 174.715 0.40 . 1 . . . A 364 HIS C . 19526 1 144 . 1 1 15 15 HIS CA C 13 55.012 0.40 . 1 . . . A 364 HIS CA . 19526 1 145 . 1 1 15 15 HIS CB C 13 29.891 0.40 . 1 . . . A 364 HIS CB . 19526 1 146 . 1 1 15 15 HIS CD2 C 13 120.778 0.40 . 1 . . . A 364 HIS CD2 . 19526 1 147 . 1 1 15 15 HIS N N 15 116.075 0.40 . 1 . . . A 364 HIS N . 19526 1 148 . 1 1 16 16 GLY H H 1 6.994 0.04 . 1 . . . A 365 GLY H . 19526 1 149 . 1 1 16 16 GLY HA2 H 1 3.818 0.04 . 2 . . . A 365 GLY HA2 . 19526 1 150 . 1 1 16 16 GLY HA3 H 1 3.178 0.04 . 2 . . . A 365 GLY HA3 . 19526 1 151 . 1 1 16 16 GLY C C 13 170.520 0.40 . 1 . . . A 365 GLY C . 19526 1 152 . 1 1 16 16 GLY CA C 13 44.529 0.40 . 1 . . . A 365 GLY CA . 19526 1 153 . 1 1 16 16 GLY N N 15 108.156 0.40 . 1 . . . A 365 GLY N . 19526 1 154 . 1 1 17 17 ASN H H 1 7.784 0.04 . 1 . . . A 366 ASN H . 19526 1 155 . 1 1 17 17 ASN HA H 1 4.346 0.04 . 1 . . . A 366 ASN HA . 19526 1 156 . 1 1 17 17 ASN HB2 H 1 2.704 0.04 . 2 . . . A 366 ASN HB2 . 19526 1 157 . 1 1 17 17 ASN HB3 H 1 2.513 0.04 . 2 . . . A 366 ASN HB3 . 19526 1 158 . 1 1 17 17 ASN HD21 H 1 7.648 0.04 . 2 . . . A 366 ASN HD21 . 19526 1 159 . 1 1 17 17 ASN HD22 H 1 7.648 0.04 . 2 . . . A 366 ASN HD22 . 19526 1 160 . 1 1 17 17 ASN C C 13 175.230 0.40 . 1 . . . A 366 ASN C . 19526 1 161 . 1 1 17 17 ASN CA C 13 52.012 0.40 . 1 . . . A 366 ASN CA . 19526 1 162 . 1 1 17 17 ASN CB C 13 38.691 0.40 . 1 . . . A 366 ASN CB . 19526 1 163 . 1 1 17 17 ASN N N 15 116.480 0.40 . 1 . . . A 366 ASN N . 19526 1 164 . 1 1 17 17 ASN ND2 N 15 113.862 0.40 . 1 . . . A 366 ASN ND2 . 19526 1 165 . 1 1 18 18 PHE H H 1 8.008 0.04 . 1 . . . A 367 PHE H . 19526 1 166 . 1 1 18 18 PHE HA H 1 4.516 0.04 . 1 . . . A 367 PHE HA . 19526 1 167 . 1 1 18 18 PHE HB2 H 1 3.174 0.04 . 2 . . . A 367 PHE HB2 . 19526 1 168 . 1 1 18 18 PHE HB3 H 1 2.868 0.04 . 2 . . . A 367 PHE HB3 . 19526 1 169 . 1 1 18 18 PHE HD2 H 1 6.886 0.04 . 3 . . . A 367 PHE HD2 . 19526 1 170 . 1 1 18 18 PHE HE2 H 1 6.956 0.04 . 3 . . . A 367 PHE HE2 . 19526 1 171 . 1 1 18 18 PHE C C 13 175.900 0.40 . 1 . . . A 367 PHE C . 19526 1 172 . 1 1 18 18 PHE CA C 13 56.533 0.40 . 1 . . . A 367 PHE CA . 19526 1 173 . 1 1 18 18 PHE CB C 13 38.597 0.40 . 1 . . . A 367 PHE CB . 19526 1 174 . 1 1 18 18 PHE CD2 C 13 131.004 0.40 . 3 . . . A 367 PHE CD2 . 19526 1 175 . 1 1 18 18 PHE CE2 C 13 129.176 0.40 . 3 . . . A 367 PHE CE2 . 19526 1 176 . 1 1 18 18 PHE N N 15 122.388 0.40 . 1 . . . A 367 PHE N . 19526 1 177 . 1 1 19 19 GLY H H 1 7.876 0.04 . 1 . . . A 368 GLY H . 19526 1 178 . 1 1 19 19 GLY HA2 H 1 3.699 0.04 . 2 . . . A 368 GLY HA2 . 19526 1 179 . 1 1 19 19 GLY HA3 H 1 3.699 0.04 . 2 . . . A 368 GLY HA3 . 19526 1 180 . 1 1 19 19 GLY CA C 13 45.856 0.40 . 1 . . . A 368 GLY CA . 19526 1 181 . 1 1 19 19 GLY N N 15 104.827 0.40 . 1 . . . A 368 GLY N . 19526 1 182 . 1 1 20 20 PRO HA H 1 4.287 0.04 . 1 . . . A 369 PRO HA . 19526 1 183 . 1 1 20 20 PRO HB2 H 1 1.885 0.04 . 2 . . . A 369 PRO HB2 . 19526 1 184 . 1 1 20 20 PRO HB3 H 1 1.196 0.04 . 2 . . . A 369 PRO HB3 . 19526 1 185 . 1 1 20 20 PRO HG2 H 1 1.563 0.04 . 2 . . . A 369 PRO HG2 . 19526 1 186 . 1 1 20 20 PRO HG3 H 1 0.607 0.04 . 2 . . . A 369 PRO HG3 . 19526 1 187 . 1 1 20 20 PRO HD2 H 1 3.456 0.04 . 2 . . . A 369 PRO HD2 . 19526 1 188 . 1 1 20 20 PRO HD3 H 1 3.264 0.04 . 2 . . . A 369 PRO HD3 . 19526 1 189 . 1 1 20 20 PRO C C 13 177.708 0.40 . 1 . . . A 369 PRO C . 19526 1 190 . 1 1 20 20 PRO CA C 13 63.706 0.40 . 1 . . . A 369 PRO CA . 19526 1 191 . 1 1 20 20 PRO CB C 13 32.371 0.40 . 1 . . . A 369 PRO CB . 19526 1 192 . 1 1 20 20 PRO CG C 13 25.261 0.40 . 1 . . . A 369 PRO CG . 19526 1 193 . 1 1 20 20 PRO CD C 13 49.193 0.40 . 1 . . . A 369 PRO CD . 19526 1 194 . 1 1 21 21 HIS H H 1 9.004 0.04 . 1 . . . A 370 HIS H . 19526 1 195 . 1 1 21 21 HIS HA H 1 4.824 0.04 . 1 . . . A 370 HIS HA . 19526 1 196 . 1 1 21 21 HIS HB2 H 1 2.986 0.04 . 2 . . . A 370 HIS HB2 . 19526 1 197 . 1 1 21 21 HIS HB3 H 1 2.909 0.04 . 2 . . . A 370 HIS HB3 . 19526 1 198 . 1 1 21 21 HIS HD2 H 1 6.894 0.04 . 1 . . . A 370 HIS HD2 . 19526 1 199 . 1 1 21 21 HIS C C 13 176.449 0.40 . 1 . . . A 370 HIS C . 19526 1 200 . 1 1 21 21 HIS CA C 13 56.534 0.40 . 1 . . . A 370 HIS CA . 19526 1 201 . 1 1 21 21 HIS CB C 13 32.481 0.40 . 1 . . . A 370 HIS CB . 19526 1 202 . 1 1 21 21 HIS CD2 C 13 120.341 0.40 . 1 . . . A 370 HIS CD2 . 19526 1 203 . 1 1 21 21 HIS N N 15 115.028 0.40 . 1 . . . A 370 HIS N . 19526 1 204 . 1 1 22 22 LEU H H 1 6.418 0.04 . 1 . . . A 371 LEU H . 19526 1 205 . 1 1 22 22 LEU HA H 1 4.600 0.04 . 1 . . . A 371 LEU HA . 19526 1 206 . 1 1 22 22 LEU HB2 H 1 1.753 0.04 . 2 . . . A 371 LEU HB2 . 19526 1 207 . 1 1 22 22 LEU HB3 H 1 0.857 0.04 . 2 . . . A 371 LEU HB3 . 19526 1 208 . 1 1 22 22 LEU HG H 1 1.714 0.04 . 1 . . . A 371 LEU HG . 19526 1 209 . 1 1 22 22 LEU HD11 H 1 0.827 0.04 . 2 . . . A 371 LEU HD11 . 19526 1 210 . 1 1 22 22 LEU HD12 H 1 0.827 0.04 . 2 . . . A 371 LEU HD12 . 19526 1 211 . 1 1 22 22 LEU HD13 H 1 0.827 0.04 . 2 . . . A 371 LEU HD13 . 19526 1 212 . 1 1 22 22 LEU HD21 H 1 0.604 0.04 . 2 . . . A 371 LEU HD21 . 19526 1 213 . 1 1 22 22 LEU HD22 H 1 0.604 0.04 . 2 . . . A 371 LEU HD22 . 19526 1 214 . 1 1 22 22 LEU HD23 H 1 0.604 0.04 . 2 . . . A 371 LEU HD23 . 19526 1 215 . 1 1 22 22 LEU C C 13 174.200 0.40 . 1 . . . A 371 LEU C . 19526 1 216 . 1 1 22 22 LEU CA C 13 53.438 0.40 . 1 . . . A 371 LEU CA . 19526 1 217 . 1 1 22 22 LEU CB C 13 44.013 0.40 . 1 . . . A 371 LEU CB . 19526 1 218 . 1 1 22 22 LEU CG C 13 26.385 0.40 . 1 . . . A 371 LEU CG . 19526 1 219 . 1 1 22 22 LEU CD1 C 13 25.677 0.40 . 2 . . . A 371 LEU CD1 . 19526 1 220 . 1 1 22 22 LEU CD2 C 13 23.178 0.40 . 2 . . . A 371 LEU CD2 . 19526 1 221 . 1 1 22 22 LEU N N 15 118.831 0.40 . 1 . . . A 371 LEU N . 19526 1 222 . 1 1 23 23 ASP H H 1 8.647 0.04 . 1 . . . A 372 ASP H . 19526 1 223 . 1 1 23 23 ASP HA H 1 4.542 0.04 . 1 . . . A 372 ASP HA . 19526 1 224 . 1 1 23 23 ASP HB2 H 1 2.824 0.04 . 2 . . . A 372 ASP HB2 . 19526 1 225 . 1 1 23 23 ASP HB3 H 1 2.294 0.04 . 2 . . . A 372 ASP HB3 . 19526 1 226 . 1 1 23 23 ASP CA C 13 50.994 0.40 . 1 . . . A 372 ASP CA . 19526 1 227 . 1 1 23 23 ASP CB C 13 42.051 0.40 . 1 . . . A 372 ASP CB . 19526 1 228 . 1 1 23 23 ASP N N 15 121.305 0.40 . 1 . . . A 372 ASP N . 19526 1 229 . 1 1 24 24 PRO HA H 1 3.676 0.04 . 1 . . . A 373 PRO HA . 19526 1 230 . 1 1 24 24 PRO HB2 H 1 2.300 0.04 . 2 . . . A 373 PRO HB2 . 19526 1 231 . 1 1 24 24 PRO HB3 H 1 1.939 0.04 . 2 . . . A 373 PRO HB3 . 19526 1 232 . 1 1 24 24 PRO HG2 H 1 2.090 0.04 . 2 . . . A 373 PRO HG2 . 19526 1 233 . 1 1 24 24 PRO HG3 H 1 1.986 0.04 . 2 . . . A 373 PRO HG3 . 19526 1 234 . 1 1 24 24 PRO HD2 H 1 3.931 0.04 . 2 . . . A 373 PRO HD2 . 19526 1 235 . 1 1 24 24 PRO HD3 H 1 4.308 0.04 . 2 . . . A 373 PRO HD3 . 19526 1 236 . 1 1 24 24 PRO C C 13 178.307 0.40 . 1 . . . A 373 PRO C . 19526 1 237 . 1 1 24 24 PRO CA C 13 65.051 0.40 . 1 . . . A 373 PRO CA . 19526 1 238 . 1 1 24 24 PRO CB C 13 32.584 0.40 . 1 . . . A 373 PRO CB . 19526 1 239 . 1 1 24 24 PRO CG C 13 27.889 0.40 . 1 . . . A 373 PRO CG . 19526 1 240 . 1 1 24 24 PRO CD C 13 51.308 0.40 . 1 . . . A 373 PRO CD . 19526 1 241 . 1 1 25 25 LYS H H 1 7.822 0.04 . 1 . . . A 374 LYS H . 19526 1 242 . 1 1 25 25 LYS HA H 1 3.876 0.04 . 1 . . . A 374 LYS HA . 19526 1 243 . 1 1 25 25 LYS HB2 H 1 1.796 0.04 . 2 . . . A 374 LYS HB2 . 19526 1 244 . 1 1 25 25 LYS HB3 H 1 1.675 0.04 . 2 . . . A 374 LYS HB3 . 19526 1 245 . 1 1 25 25 LYS HG2 H 1 1.375 0.04 . 2 . . . A 374 LYS HG2 . 19526 1 246 . 1 1 25 25 LYS HG3 H 1 1.300 0.04 . 2 . . . A 374 LYS HG3 . 19526 1 247 . 1 1 25 25 LYS HD2 H 1 1.584 0.04 . 2 . . . A 374 LYS HD2 . 19526 1 248 . 1 1 25 25 LYS HD3 H 1 1.584 0.04 . 2 . . . A 374 LYS HD3 . 19526 1 249 . 1 1 25 25 LYS HE2 H 1 2.887 0.04 . 2 . . . A 374 LYS HE2 . 19526 1 250 . 1 1 25 25 LYS HE3 H 1 2.887 0.04 . 2 . . . A 374 LYS HE3 . 19526 1 251 . 1 1 25 25 LYS C C 13 179.536 0.40 . 1 . . . A 374 LYS C . 19526 1 252 . 1 1 25 25 LYS CA C 13 58.895 0.40 . 1 . . . A 374 LYS CA . 19526 1 253 . 1 1 25 25 LYS CB C 13 31.988 0.40 . 1 . . . A 374 LYS CB . 19526 1 254 . 1 1 25 25 LYS CG C 13 25.287 0.40 . 1 . . . A 374 LYS CG . 19526 1 255 . 1 1 25 25 LYS CD C 13 28.978 0.40 . 1 . . . A 374 LYS CD . 19526 1 256 . 1 1 25 25 LYS CE C 13 41.964 0.40 . 1 . . . A 374 LYS CE . 19526 1 257 . 1 1 25 25 LYS N N 15 114.433 0.40 . 1 . . . A 374 LYS N . 19526 1 258 . 1 1 26 26 ARG H H 1 6.934 0.04 . 1 . . . A 375 ARG H . 19526 1 259 . 1 1 26 26 ARG HA H 1 4.071 0.04 . 1 . . . A 375 ARG HA . 19526 1 260 . 1 1 26 26 ARG HB2 H 1 2.252 0.04 . 2 . . . A 375 ARG HB2 . 19526 1 261 . 1 1 26 26 ARG HB3 H 1 1.681 0.04 . 2 . . . A 375 ARG HB3 . 19526 1 262 . 1 1 26 26 ARG HG2 H 1 1.567 0.04 . 2 . . . A 375 ARG HG2 . 19526 1 263 . 1 1 26 26 ARG HG3 H 1 1.567 0.04 . 2 . . . A 375 ARG HG3 . 19526 1 264 . 1 1 26 26 ARG HD2 H 1 3.277 0.04 . 2 . . . A 375 ARG HD2 . 19526 1 265 . 1 1 26 26 ARG HD3 H 1 3.087 0.04 . 2 . . . A 375 ARG HD3 . 19526 1 266 . 1 1 26 26 ARG C C 13 179.533 0.40 . 1 . . . A 375 ARG C . 19526 1 267 . 1 1 26 26 ARG CA C 13 58.171 0.40 . 1 . . . A 375 ARG CA . 19526 1 268 . 1 1 26 26 ARG CB C 13 30.703 0.40 . 1 . . . A 375 ARG CB . 19526 1 269 . 1 1 26 26 ARG CG C 13 28.354 0.40 . 1 . . . A 375 ARG CG . 19526 1 270 . 1 1 26 26 ARG CD C 13 43.367 0.40 . 1 . . . A 375 ARG CD . 19526 1 271 . 1 1 26 26 ARG N N 15 116.776 0.40 . 1 . . . A 375 ARG N . 19526 1 272 . 1 1 27 27 ILE H H 1 7.859 0.04 . 1 . . . A 376 ILE H . 19526 1 273 . 1 1 27 27 ILE HA H 1 3.608 0.04 . 1 . . . A 376 ILE HA . 19526 1 274 . 1 1 27 27 ILE HB H 1 1.463 0.04 . 1 . . . A 376 ILE HB . 19526 1 275 . 1 1 27 27 ILE HG12 H 1 1.078 0.04 . 2 . . . A 376 ILE HG12 . 19526 1 276 . 1 1 27 27 ILE HG13 H 1 0.631 0.04 . 2 . . . A 376 ILE HG13 . 19526 1 277 . 1 1 27 27 ILE HG21 H 1 0.166 0.04 . 1 . . . A 376 ILE HG21 . 19526 1 278 . 1 1 27 27 ILE HG22 H 1 0.166 0.04 . 1 . . . A 376 ILE HG22 . 19526 1 279 . 1 1 27 27 ILE HG23 H 1 0.166 0.04 . 1 . . . A 376 ILE HG23 . 19526 1 280 . 1 1 27 27 ILE HD11 H 1 0.427 0.04 . 1 . . . A 376 ILE HD11 . 19526 1 281 . 1 1 27 27 ILE HD12 H 1 0.427 0.04 . 1 . . . A 376 ILE HD12 . 19526 1 282 . 1 1 27 27 ILE HD13 H 1 0.427 0.04 . 1 . . . A 376 ILE HD13 . 19526 1 283 . 1 1 27 27 ILE C C 13 178.165 0.40 . 1 . . . A 376 ILE C . 19526 1 284 . 1 1 27 27 ILE CA C 13 62.301 0.40 . 1 . . . A 376 ILE CA . 19526 1 285 . 1 1 27 27 ILE CB C 13 35.290 0.40 . 1 . . . A 376 ILE CB . 19526 1 286 . 1 1 27 27 ILE CG1 C 13 26.519 0.40 . 1 . . . A 376 ILE CG1 . 19526 1 287 . 1 1 27 27 ILE CG2 C 13 17.182 0.40 . 1 . . . A 376 ILE CG2 . 19526 1 288 . 1 1 27 27 ILE CD1 C 13 9.682 0.40 . 1 . . . A 376 ILE CD1 . 19526 1 289 . 1 1 27 27 ILE N N 15 122.312 0.40 . 1 . . . A 376 ILE N . 19526 1 290 . 1 1 28 28 GLN H H 1 7.436 0.04 . 1 . . . A 377 GLN H . 19526 1 291 . 1 1 28 28 GLN HA H 1 3.675 0.04 . 1 . . . A 377 GLN HA . 19526 1 292 . 1 1 28 28 GLN HB2 H 1 2.070 0.04 . 2 . . . A 377 GLN HB2 . 19526 1 293 . 1 1 28 28 GLN HB3 H 1 1.949 0.04 . 2 . . . A 377 GLN HB3 . 19526 1 294 . 1 1 28 28 GLN HG2 H 1 2.484 0.04 . 2 . . . A 377 GLN HG2 . 19526 1 295 . 1 1 28 28 GLN HG3 H 1 2.404 0.04 . 2 . . . A 377 GLN HG3 . 19526 1 296 . 1 1 28 28 GLN HE21 H 1 7.181 0.04 . 2 . . . A 377 GLN HE21 . 19526 1 297 . 1 1 28 28 GLN HE22 H 1 7.181 0.04 . 2 . . . A 377 GLN HE22 . 19526 1 298 . 1 1 28 28 GLN C C 13 176.527 0.40 . 1 . . . A 377 GLN C . 19526 1 299 . 1 1 28 28 GLN CA C 13 58.008 0.40 . 1 . . . A 377 GLN CA . 19526 1 300 . 1 1 28 28 GLN CB C 13 28.114 0.40 . 1 . . . A 377 GLN CB . 19526 1 301 . 1 1 28 28 GLN CG C 13 33.564 0.40 . 1 . . . A 377 GLN CG . 19526 1 302 . 1 1 28 28 GLN N N 15 113.627 0.40 . 1 . . . A 377 GLN N . 19526 1 303 . 1 1 28 28 GLN NE2 N 15 111.093 0.40 . 1 . . . A 377 GLN NE2 . 19526 1 304 . 1 1 29 29 GLN H H 1 6.911 0.04 . 1 . . . A 378 GLN H . 19526 1 305 . 1 1 29 29 GLN HA H 1 4.151 0.04 . 1 . . . A 378 GLN HA . 19526 1 306 . 1 1 29 29 GLN HB2 H 1 2.195 0.04 . 2 . . . A 378 GLN HB2 . 19526 1 307 . 1 1 29 29 GLN HB3 H 1 1.877 0.04 . 2 . . . A 378 GLN HB3 . 19526 1 308 . 1 1 29 29 GLN HG2 H 1 2.420 0.04 . 2 . . . A 378 GLN HG2 . 19526 1 309 . 1 1 29 29 GLN HG3 H 1 2.269 0.04 . 2 . . . A 378 GLN HG3 . 19526 1 310 . 1 1 29 29 GLN HE21 H 1 7.355 0.04 . 2 . . . A 378 GLN HE21 . 19526 1 311 . 1 1 29 29 GLN HE22 H 1 7.355 0.04 . 2 . . . A 378 GLN HE22 . 19526 1 312 . 1 1 29 29 GLN C C 13 176.485 0.40 . 1 . . . A 378 GLN C . 19526 1 313 . 1 1 29 29 GLN CA C 13 55.275 0.40 . 1 . . . A 378 GLN CA . 19526 1 314 . 1 1 29 29 GLN CB C 13 29.305 0.40 . 1 . . . A 378 GLN CB . 19526 1 315 . 1 1 29 29 GLN CG C 13 33.998 0.40 . 1 . . . A 378 GLN CG . 19526 1 316 . 1 1 29 29 GLN N N 15 113.878 0.40 . 1 . . . A 378 GLN N . 19526 1 317 . 1 1 29 29 GLN NE2 N 15 111.991 0.40 . 1 . . . A 378 GLN NE2 . 19526 1 318 . 1 1 30 30 LEU H H 1 7.368 0.04 . 1 . . . A 379 LEU H . 19526 1 319 . 1 1 30 30 LEU HA H 1 4.209 0.04 . 1 . . . A 379 LEU HA . 19526 1 320 . 1 1 30 30 LEU HB2 H 1 1.844 0.04 . 2 . . . A 379 LEU HB2 . 19526 1 321 . 1 1 30 30 LEU HB3 H 1 1.361 0.04 . 2 . . . A 379 LEU HB3 . 19526 1 322 . 1 1 30 30 LEU HG H 1 0.865 0.04 . 1 . . . A 379 LEU HG . 19526 1 323 . 1 1 30 30 LEU HD11 H 1 0.865 0.04 . 2 . . . A 379 LEU HD11 . 19526 1 324 . 1 1 30 30 LEU HD12 H 1 0.865 0.04 . 2 . . . A 379 LEU HD12 . 19526 1 325 . 1 1 30 30 LEU HD13 H 1 0.865 0.04 . 2 . . . A 379 LEU HD13 . 19526 1 326 . 1 1 30 30 LEU HD21 H 1 1.993 0.04 . 2 . . . A 379 LEU HD21 . 19526 1 327 . 1 1 30 30 LEU HD22 H 1 1.993 0.04 . 2 . . . A 379 LEU HD22 . 19526 1 328 . 1 1 30 30 LEU HD23 H 1 1.993 0.04 . 2 . . . A 379 LEU HD23 . 19526 1 329 . 1 1 30 30 LEU CA C 13 54.029 0.40 . 1 . . . A 379 LEU CA . 19526 1 330 . 1 1 30 30 LEU CB C 13 40.701 0.40 . 1 . . . A 379 LEU CB . 19526 1 331 . 1 1 30 30 LEU CG C 13 23.240 0.40 . 1 . . . A 379 LEU CG . 19526 1 332 . 1 1 30 30 LEU CD1 C 13 25.898 0.40 . 2 . . . A 379 LEU CD1 . 19526 1 333 . 1 1 30 30 LEU CD2 C 13 26.690 0.40 . 2 . . . A 379 LEU CD2 . 19526 1 334 . 1 1 30 30 LEU N N 15 120.809 0.40 . 1 . . . A 379 LEU N . 19526 1 335 . 1 1 31 31 PRO HA H 1 4.202 0.04 . 1 . . . A 380 PRO HA . 19526 1 336 . 1 1 31 31 PRO HB2 H 1 1.805 0.04 . 2 . . . A 380 PRO HB2 . 19526 1 337 . 1 1 31 31 PRO HB3 H 1 1.228 0.04 . 2 . . . A 380 PRO HB3 . 19526 1 338 . 1 1 31 31 PRO HG2 H 1 1.216 0.04 . 2 . . . A 380 PRO HG2 . 19526 1 339 . 1 1 31 31 PRO HG3 H 1 0.670 0.04 . 2 . . . A 380 PRO HG3 . 19526 1 340 . 1 1 31 31 PRO HD2 H 1 3.397 0.04 . 2 . . . A 380 PRO HD2 . 19526 1 341 . 1 1 31 31 PRO HD3 H 1 3.025 0.04 . 2 . . . A 380 PRO HD3 . 19526 1 342 . 1 1 31 31 PRO C C 13 173.563 0.40 . 1 . . . A 380 PRO C . 19526 1 343 . 1 1 31 31 PRO CA C 13 62.226 0.40 . 1 . . . A 380 PRO CA . 19526 1 344 . 1 1 31 31 PRO CB C 13 31.809 0.40 . 1 . . . A 380 PRO CB . 19526 1 345 . 1 1 31 31 PRO CG C 13 26.543 0.40 . 1 . . . A 380 PRO CG . 19526 1 346 . 1 1 31 31 PRO CD C 13 49.710 0.40 . 1 . . . A 380 PRO CD . 19526 1 347 . 1 1 32 32 ASP H H 1 7.938 0.04 . 1 . . . A 381 ASP H . 19526 1 348 . 1 1 32 32 ASP HA H 1 4.226 0.04 . 1 . . . A 381 ASP HA . 19526 1 349 . 1 1 32 32 ASP HB2 H 1 2.789 0.04 . 2 . . . A 381 ASP HB2 . 19526 1 350 . 1 1 32 32 ASP HB3 H 1 2.602 0.04 . 2 . . . A 381 ASP HB3 . 19526 1 351 . 1 1 32 32 ASP C C 13 176.275 0.40 . 1 . . . A 381 ASP C . 19526 1 352 . 1 1 32 32 ASP CA C 13 56.506 0.40 . 1 . . . A 381 ASP CA . 19526 1 353 . 1 1 32 32 ASP CB C 13 41.676 0.40 . 1 . . . A 381 ASP CB . 19526 1 354 . 1 1 32 32 ASP N N 15 114.823 0.40 . 1 . . . A 381 ASP N . 19526 1 355 . 1 1 33 33 HIS H H 1 6.907 0.04 . 1 . . . A 382 HIS H . 19526 1 356 . 1 1 33 33 HIS HA H 1 5.004 0.04 . 1 . . . A 382 HIS HA . 19526 1 357 . 1 1 33 33 HIS HB2 H 1 2.831 0.04 . 2 . . . A 382 HIS HB2 . 19526 1 358 . 1 1 33 33 HIS HB3 H 1 2.018 0.04 . 2 . . . A 382 HIS HB3 . 19526 1 359 . 1 1 33 33 HIS C C 13 171.825 0.40 . 1 . . . A 382 HIS C . 19526 1 360 . 1 1 33 33 HIS CA C 13 54.485 0.40 . 1 . . . A 382 HIS CA . 19526 1 361 . 1 1 33 33 HIS CB C 13 31.499 0.40 . 1 . . . A 382 HIS CB . 19526 1 362 . 1 1 33 33 HIS N N 15 109.071 0.40 . 1 . . . A 382 HIS N . 19526 1 363 . 1 1 34 34 PHE H H 1 9.270 0.04 . 1 . . . A 383 PHE H . 19526 1 364 . 1 1 34 34 PHE HA H 1 4.416 0.04 . 1 . . . A 383 PHE HA . 19526 1 365 . 1 1 34 34 PHE HB2 H 1 2.696 0.04 . 2 . . . A 383 PHE HB2 . 19526 1 366 . 1 1 34 34 PHE HB3 H 1 2.516 0.04 . 2 . . . A 383 PHE HB3 . 19526 1 367 . 1 1 34 34 PHE HD2 H 1 6.835 0.04 . 3 . . . A 383 PHE HD2 . 19526 1 368 . 1 1 34 34 PHE C C 13 174.826 0.40 . 1 . . . A 383 PHE C . 19526 1 369 . 1 1 34 34 PHE CA C 13 56.869 0.40 . 1 . . . A 383 PHE CA . 19526 1 370 . 1 1 34 34 PHE CB C 13 42.487 0.40 . 1 . . . A 383 PHE CB . 19526 1 371 . 1 1 34 34 PHE CD2 C 13 131.999 0.40 . 3 . . . A 383 PHE CD2 . 19526 1 372 . 1 1 34 34 PHE N N 15 118.808 0.40 . 1 . . . A 383 PHE N . 19526 1 373 . 1 1 35 35 GLY H H 1 8.620 0.04 . 1 . . . A 384 GLY H . 19526 1 374 . 1 1 35 35 GLY HA2 H 1 4.642 0.04 . 2 . . . A 384 GLY HA2 . 19526 1 375 . 1 1 35 35 GLY HA3 H 1 3.200 0.04 . 2 . . . A 384 GLY HA3 . 19526 1 376 . 1 1 35 35 GLY CA C 13 43.554 0.40 . 1 . . . A 384 GLY CA . 19526 1 377 . 1 1 35 35 GLY N N 15 109.983 0.40 . 1 . . . A 384 GLY N . 19526 1 378 . 1 1 36 36 PRO HA H 1 4.793 0.04 . 1 . . . A 385 PRO HA . 19526 1 379 . 1 1 36 36 PRO HB2 H 1 2.165 0.04 . 2 . . . A 385 PRO HB2 . 19526 1 380 . 1 1 36 36 PRO HB3 H 1 1.841 0.04 . 2 . . . A 385 PRO HB3 . 19526 1 381 . 1 1 36 36 PRO HG2 H 1 1.868 0.04 . 2 . . . A 385 PRO HG2 . 19526 1 382 . 1 1 36 36 PRO HG3 H 1 1.709 0.04 . 2 . . . A 385 PRO HG3 . 19526 1 383 . 1 1 36 36 PRO HD2 H 1 3.503 0.04 . 2 . . . A 385 PRO HD2 . 19526 1 384 . 1 1 36 36 PRO HD3 H 1 3.503 0.04 . 2 . . . A 385 PRO HD3 . 19526 1 385 . 1 1 36 36 PRO C C 13 176.664 0.40 . 1 . . . A 385 PRO C . 19526 1 386 . 1 1 36 36 PRO CA C 13 60.975 0.40 . 1 . . . A 385 PRO CA . 19526 1 387 . 1 1 36 36 PRO CB C 13 34.365 0.40 . 1 . . . A 385 PRO CB . 19526 1 388 . 1 1 36 36 PRO CG C 13 25.642 0.40 . 1 . . . A 385 PRO CG . 19526 1 389 . 1 1 36 36 PRO CD C 13 51.021 0.40 . 1 . . . A 385 PRO CD . 19526 1 390 . 1 1 37 37 GLY H H 1 8.149 0.04 . 1 . . . A 386 GLY H . 19526 1 391 . 1 1 37 37 GLY HA2 H 1 4.363 0.04 . 2 . . . A 386 GLY HA2 . 19526 1 392 . 1 1 37 37 GLY HA3 H 1 3.887 0.04 . 2 . . . A 386 GLY HA3 . 19526 1 393 . 1 1 37 37 GLY CA C 13 45.305 0.40 . 1 . . . A 386 GLY CA . 19526 1 394 . 1 1 37 37 GLY N N 15 111.540 0.40 . 1 . . . A 386 GLY N . 19526 1 395 . 1 1 38 38 PRO HA H 1 4.560 0.04 . 1 . . . A 387 PRO HA . 19526 1 396 . 1 1 38 38 PRO HB2 H 1 2.453 0.04 . 2 . . . A 387 PRO HB2 . 19526 1 397 . 1 1 38 38 PRO HB3 H 1 1.911 0.04 . 2 . . . A 387 PRO HB3 . 19526 1 398 . 1 1 38 38 PRO HG2 H 1 2.049 0.04 . 2 . . . A 387 PRO HG2 . 19526 1 399 . 1 1 38 38 PRO HG3 H 1 1.968 0.04 . 2 . . . A 387 PRO HG3 . 19526 1 400 . 1 1 38 38 PRO HD2 H 1 3.641 0.04 . 2 . . . A 387 PRO HD2 . 19526 1 401 . 1 1 38 38 PRO HD3 H 1 3.352 0.04 . 2 . . . A 387 PRO HD3 . 19526 1 402 . 1 1 38 38 PRO C C 13 178.960 0.40 . 1 . . . A 387 PRO C . 19526 1 403 . 1 1 38 38 PRO CA C 13 62.677 0.40 . 1 . . . A 387 PRO CA . 19526 1 404 . 1 1 38 38 PRO CB C 13 32.718 0.40 . 1 . . . A 387 PRO CB . 19526 1 405 . 1 1 38 38 PRO CG C 13 27.619 0.40 . 1 . . . A 387 PRO CG . 19526 1 406 . 1 1 38 38 PRO CD C 13 49.907 0.40 . 1 . . . A 387 PRO CD . 19526 1 407 . 1 1 39 39 VAL H H 1 8.199 0.04 . 1 . . . A 388 VAL H . 19526 1 408 . 1 1 39 39 VAL HA H 1 3.408 0.04 . 1 . . . A 388 VAL HA . 19526 1 409 . 1 1 39 39 VAL HB H 1 1.678 0.04 . 1 . . . A 388 VAL HB . 19526 1 410 . 1 1 39 39 VAL HG11 H 1 0.617 0.04 . 2 . . . A 388 VAL HG11 . 19526 1 411 . 1 1 39 39 VAL HG12 H 1 0.617 0.04 . 2 . . . A 388 VAL HG12 . 19526 1 412 . 1 1 39 39 VAL HG13 H 1 0.617 0.04 . 2 . . . A 388 VAL HG13 . 19526 1 413 . 1 1 39 39 VAL HG21 H 1 0.583 0.04 . 2 . . . A 388 VAL HG21 . 19526 1 414 . 1 1 39 39 VAL HG22 H 1 0.583 0.04 . 2 . . . A 388 VAL HG22 . 19526 1 415 . 1 1 39 39 VAL HG23 H 1 0.583 0.04 . 2 . . . A 388 VAL HG23 . 19526 1 416 . 1 1 39 39 VAL C C 13 174.968 0.40 . 1 . . . A 388 VAL C . 19526 1 417 . 1 1 39 39 VAL CA C 13 66.130 0.40 . 1 . . . A 388 VAL CA . 19526 1 418 . 1 1 39 39 VAL CB C 13 31.487 0.40 . 1 . . . A 388 VAL CB . 19526 1 419 . 1 1 39 39 VAL CG1 C 13 21.648 0.40 . 2 . . . A 388 VAL CG1 . 19526 1 420 . 1 1 39 39 VAL CG2 C 13 21.591 0.40 . 2 . . . A 388 VAL CG2 . 19526 1 421 . 1 1 39 39 VAL N N 15 120.620 0.40 . 1 . . . A 388 VAL N . 19526 1 422 . 1 1 40 40 ASN H H 1 8.482 0.04 . 1 . . . A 389 ASN H . 19526 1 423 . 1 1 40 40 ASN HA H 1 3.999 0.04 . 1 . . . A 389 ASN HA . 19526 1 424 . 1 1 40 40 ASN HB2 H 1 2.698 0.04 . 2 . . . A 389 ASN HB2 . 19526 1 425 . 1 1 40 40 ASN HB3 H 1 2.698 0.04 . 2 . . . A 389 ASN HB3 . 19526 1 426 . 1 1 40 40 ASN C C 13 175.824 0.40 . 1 . . . A 389 ASN C . 19526 1 427 . 1 1 40 40 ASN CA C 13 57.233 0.40 . 1 . . . A 389 ASN CA . 19526 1 428 . 1 1 40 40 ASN CB C 13 37.039 0.40 . 1 . . . A 389 ASN CB . 19526 1 429 . 1 1 40 40 ASN N N 15 115.337 0.40 . 1 . . . A 389 ASN N . 19526 1 430 . 1 1 41 41 VAL H H 1 6.572 0.04 . 1 . . . A 390 VAL H . 19526 1 431 . 1 1 41 41 VAL HA H 1 3.369 0.04 . 1 . . . A 390 VAL HA . 19526 1 432 . 1 1 41 41 VAL HB H 1 1.877 0.04 . 1 . . . A 390 VAL HB . 19526 1 433 . 1 1 41 41 VAL HG11 H 1 0.869 0.04 . 2 . . . A 390 VAL HG11 . 19526 1 434 . 1 1 41 41 VAL HG12 H 1 0.869 0.04 . 2 . . . A 390 VAL HG12 . 19526 1 435 . 1 1 41 41 VAL HG13 H 1 0.869 0.04 . 2 . . . A 390 VAL HG13 . 19526 1 436 . 1 1 41 41 VAL HG21 H 1 0.803 0.04 . 2 . . . A 390 VAL HG21 . 19526 1 437 . 1 1 41 41 VAL HG22 H 1 0.803 0.04 . 2 . . . A 390 VAL HG22 . 19526 1 438 . 1 1 41 41 VAL HG23 H 1 0.803 0.04 . 2 . . . A 390 VAL HG23 . 19526 1 439 . 1 1 41 41 VAL C C 13 177.214 0.40 . 1 . . . A 390 VAL C . 19526 1 440 . 1 1 41 41 VAL CA C 13 65.722 0.40 . 1 . . . A 390 VAL CA . 19526 1 441 . 1 1 41 41 VAL CB C 13 32.628 0.40 . 1 . . . A 390 VAL CB . 19526 1 442 . 1 1 41 41 VAL CG1 C 13 21.658 0.40 . 2 . . . A 390 VAL CG1 . 19526 1 443 . 1 1 41 41 VAL CG2 C 13 20.790 0.40 . 2 . . . A 390 VAL CG2 . 19526 1 444 . 1 1 41 41 VAL N N 15 120.067 0.40 . 1 . . . A 390 VAL N . 19526 1 445 . 1 1 42 42 VAL H H 1 7.999 0.04 . 1 . . . A 391 VAL H . 19526 1 446 . 1 1 42 42 VAL HA H 1 3.194 0.04 . 1 . . . A 391 VAL HA . 19526 1 447 . 1 1 42 42 VAL HB H 1 1.465 0.04 . 1 . . . A 391 VAL HB . 19526 1 448 . 1 1 42 42 VAL HG11 H 1 0.748 0.04 . 2 . . . A 391 VAL HG11 . 19526 1 449 . 1 1 42 42 VAL HG12 H 1 0.748 0.04 . 2 . . . A 391 VAL HG12 . 19526 1 450 . 1 1 42 42 VAL HG13 H 1 0.748 0.04 . 2 . . . A 391 VAL HG13 . 19526 1 451 . 1 1 42 42 VAL HG21 H 1 0.560 0.04 . 2 . . . A 391 VAL HG21 . 19526 1 452 . 1 1 42 42 VAL HG22 H 1 0.560 0.04 . 2 . . . A 391 VAL HG22 . 19526 1 453 . 1 1 42 42 VAL HG23 H 1 0.560 0.04 . 2 . . . A 391 VAL HG23 . 19526 1 454 . 1 1 42 42 VAL C C 13 177.129 0.40 . 1 . . . A 391 VAL C . 19526 1 455 . 1 1 42 42 VAL CA C 13 67.411 0.40 . 1 . . . A 391 VAL CA . 19526 1 456 . 1 1 42 42 VAL CB C 13 31.914 0.40 . 1 . . . A 391 VAL CB . 19526 1 457 . 1 1 42 42 VAL CG1 C 13 22.517 0.40 . 2 . . . A 391 VAL CG1 . 19526 1 458 . 1 1 42 42 VAL CG2 C 13 21.905 0.40 . 2 . . . A 391 VAL CG2 . 19526 1 459 . 1 1 42 42 VAL N N 15 119.134 0.40 . 1 . . . A 391 VAL N . 19526 1 460 . 1 1 43 43 LEU H H 1 8.138 0.04 . 1 . . . A 392 LEU H . 19526 1 461 . 1 1 43 43 LEU HA H 1 3.678 0.04 . 1 . . . A 392 LEU HA . 19526 1 462 . 1 1 43 43 LEU HB2 H 1 1.695 0.04 . 2 . . . A 392 LEU HB2 . 19526 1 463 . 1 1 43 43 LEU HB3 H 1 1.136 0.04 . 2 . . . A 392 LEU HB3 . 19526 1 464 . 1 1 43 43 LEU HG H 1 1.158 0.04 . 1 . . . A 392 LEU HG . 19526 1 465 . 1 1 43 43 LEU HD11 H 1 0.434 0.04 . 2 . . . A 392 LEU HD11 . 19526 1 466 . 1 1 43 43 LEU HD12 H 1 0.434 0.04 . 2 . . . A 392 LEU HD12 . 19526 1 467 . 1 1 43 43 LEU HD13 H 1 0.434 0.04 . 2 . . . A 392 LEU HD13 . 19526 1 468 . 1 1 43 43 LEU HD21 H 1 0.692 0.04 . 2 . . . A 392 LEU HD21 . 19526 1 469 . 1 1 43 43 LEU HD22 H 1 0.692 0.04 . 2 . . . A 392 LEU HD22 . 19526 1 470 . 1 1 43 43 LEU HD23 H 1 0.692 0.04 . 2 . . . A 392 LEU HD23 . 19526 1 471 . 1 1 43 43 LEU C C 13 177.318 0.40 . 1 . . . A 392 LEU C . 19526 1 472 . 1 1 43 43 LEU CA C 13 58.536 0.40 . 1 . . . A 392 LEU CA . 19526 1 473 . 1 1 43 43 LEU CB C 13 41.671 0.40 . 1 . . . A 392 LEU CB . 19526 1 474 . 1 1 43 43 LEU CG C 13 26.426 0.40 . 1 . . . A 392 LEU CG . 19526 1 475 . 1 1 43 43 LEU CD1 C 13 25.882 0.40 . 2 . . . A 392 LEU CD1 . 19526 1 476 . 1 1 43 43 LEU CD2 C 13 24.210 0.40 . 2 . . . A 392 LEU CD2 . 19526 1 477 . 1 1 43 43 LEU N N 15 117.128 0.40 . 1 . . . A 392 LEU N . 19526 1 478 . 1 1 44 44 ARG H H 1 7.198 0.04 . 1 . . . A 393 ARG H . 19526 1 479 . 1 1 44 44 ARG HA H 1 3.407 0.04 . 1 . . . A 393 ARG HA . 19526 1 480 . 1 1 44 44 ARG HB2 H 1 1.846 0.04 . 2 . . . A 393 ARG HB2 . 19526 1 481 . 1 1 44 44 ARG HB3 H 1 1.607 0.04 . 2 . . . A 393 ARG HB3 . 19526 1 482 . 1 1 44 44 ARG HG2 H 1 1.530 0.04 . 2 . . . A 393 ARG HG2 . 19526 1 483 . 1 1 44 44 ARG HG3 H 1 1.400 0.04 . 2 . . . A 393 ARG HG3 . 19526 1 484 . 1 1 44 44 ARG HD2 H 1 3.321 0.04 . 2 . . . A 393 ARG HD2 . 19526 1 485 . 1 1 44 44 ARG HD3 H 1 3.384 0.04 . 2 . . . A 393 ARG HD3 . 19526 1 486 . 1 1 44 44 ARG C C 13 177.184 0.40 . 1 . . . A 393 ARG C . 19526 1 487 . 1 1 44 44 ARG CA C 13 59.816 0.40 . 1 . . . A 393 ARG CA . 19526 1 488 . 1 1 44 44 ARG CB C 13 28.695 0.40 . 1 . . . A 393 ARG CB . 19526 1 489 . 1 1 44 44 ARG CG C 13 26.087 0.40 . 1 . . . A 393 ARG CG . 19526 1 490 . 1 1 44 44 ARG CD C 13 43.105 0.40 . 1 . . . A 393 ARG CD . 19526 1 491 . 1 1 44 44 ARG N N 15 116.738 0.40 . 1 . . . A 393 ARG N . 19526 1 492 . 1 1 45 45 ARG H H 1 8.108 0.04 . 1 . . . A 394 ARG H . 19526 1 493 . 1 1 45 45 ARG HA H 1 3.728 0.04 . 1 . . . A 394 ARG HA . 19526 1 494 . 1 1 45 45 ARG HB2 H 1 1.754 0.04 . 2 . . . A 394 ARG HB2 . 19526 1 495 . 1 1 45 45 ARG HB3 H 1 1.754 0.04 . 2 . . . A 394 ARG HB3 . 19526 1 496 . 1 1 45 45 ARG HG2 H 1 1.541 0.04 . 2 . . . A 394 ARG HG2 . 19526 1 497 . 1 1 45 45 ARG HG3 H 1 1.541 0.04 . 2 . . . A 394 ARG HG3 . 19526 1 498 . 1 1 45 45 ARG HD2 H 1 3.138 0.04 . 2 . . . A 394 ARG HD2 . 19526 1 499 . 1 1 45 45 ARG HD3 H 1 3.060 0.04 . 2 . . . A 394 ARG HD3 . 19526 1 500 . 1 1 45 45 ARG C C 13 179.665 0.40 . 1 . . . A 394 ARG C . 19526 1 501 . 1 1 45 45 ARG CA C 13 59.877 0.40 . 1 . . . A 394 ARG CA . 19526 1 502 . 1 1 45 45 ARG CB C 13 30.526 0.40 . 1 . . . A 394 ARG CB . 19526 1 503 . 1 1 45 45 ARG CG C 13 28.354 0.40 . 1 . . . A 394 ARG CG . 19526 1 504 . 1 1 45 45 ARG CD C 13 44.261 0.40 . 1 . . . A 394 ARG CD . 19526 1 505 . 1 1 45 45 ARG N N 15 115.560 0.40 . 1 . . . A 394 ARG N . 19526 1 506 . 1 1 46 46 ILE H H 1 8.059 0.04 . 1 . . . A 395 ILE H . 19526 1 507 . 1 1 46 46 ILE HA H 1 2.757 0.04 . 1 . . . A 395 ILE HA . 19526 1 508 . 1 1 46 46 ILE HB H 1 1.265 0.04 . 1 . . . A 395 ILE HB . 19526 1 509 . 1 1 46 46 ILE HG12 H 1 1.012 0.04 . 2 . . . A 395 ILE HG12 . 19526 1 510 . 1 1 46 46 ILE HG13 H 1 -0.312 0.04 . 2 . . . A 395 ILE HG13 . 19526 1 511 . 1 1 46 46 ILE HG21 H 1 0.506 0.04 . 1 . . . A 395 ILE HG21 . 19526 1 512 . 1 1 46 46 ILE HG22 H 1 0.506 0.04 . 1 . . . A 395 ILE HG22 . 19526 1 513 . 1 1 46 46 ILE HG23 H 1 0.506 0.04 . 1 . . . A 395 ILE HG23 . 19526 1 514 . 1 1 46 46 ILE HD11 H 1 0.352 0.04 . 1 . . . A 395 ILE HD11 . 19526 1 515 . 1 1 46 46 ILE HD12 H 1 0.352 0.04 . 1 . . . A 395 ILE HD12 . 19526 1 516 . 1 1 46 46 ILE HD13 H 1 0.352 0.04 . 1 . . . A 395 ILE HD13 . 19526 1 517 . 1 1 46 46 ILE C C 13 177.187 0.40 . 1 . . . A 395 ILE C . 19526 1 518 . 1 1 46 46 ILE CA C 13 64.340 0.40 . 1 . . . A 395 ILE CA . 19526 1 519 . 1 1 46 46 ILE CB C 13 38.192 0.40 . 1 . . . A 395 ILE CB . 19526 1 520 . 1 1 46 46 ILE CG1 C 13 28.500 0.40 . 1 . . . A 395 ILE CG1 . 19526 1 521 . 1 1 46 46 ILE CG2 C 13 19.161 0.40 . 1 . . . A 395 ILE CG2 . 19526 1 522 . 1 1 46 46 ILE CD1 C 13 15.652 0.40 . 1 . . . A 395 ILE CD1 . 19526 1 523 . 1 1 46 46 ILE N N 15 119.091 0.40 . 1 . . . A 395 ILE N . 19526 1 524 . 1 1 47 47 VAL H H 1 8.226 0.04 . 1 . . . A 396 VAL H . 19526 1 525 . 1 1 47 47 VAL HA H 1 3.194 0.04 . 1 . . . A 396 VAL HA . 19526 1 526 . 1 1 47 47 VAL HB H 1 1.783 0.04 . 1 . . . A 396 VAL HB . 19526 1 527 . 1 1 47 47 VAL HG11 H 1 0.554 0.04 . 2 . . . A 396 VAL HG11 . 19526 1 528 . 1 1 47 47 VAL HG12 H 1 0.554 0.04 . 2 . . . A 396 VAL HG12 . 19526 1 529 . 1 1 47 47 VAL HG13 H 1 0.554 0.04 . 2 . . . A 396 VAL HG13 . 19526 1 530 . 1 1 47 47 VAL HG21 H 1 0.633 0.04 . 2 . . . A 396 VAL HG21 . 19526 1 531 . 1 1 47 47 VAL HG22 H 1 0.633 0.04 . 2 . . . A 396 VAL HG22 . 19526 1 532 . 1 1 47 47 VAL HG23 H 1 0.633 0.04 . 2 . . . A 396 VAL HG23 . 19526 1 533 . 1 1 47 47 VAL C C 13 177.735 0.40 . 1 . . . A 396 VAL C . 19526 1 534 . 1 1 47 47 VAL CA C 13 67.929 0.40 . 1 . . . A 396 VAL CA . 19526 1 535 . 1 1 47 47 VAL CB C 13 31.160 0.40 . 1 . . . A 396 VAL CB . 19526 1 536 . 1 1 47 47 VAL CG1 C 13 23.051 0.40 . 2 . . . A 396 VAL CG1 . 19526 1 537 . 1 1 47 47 VAL CG2 C 13 23.562 0.40 . 2 . . . A 396 VAL CG2 . 19526 1 538 . 1 1 47 47 VAL N N 15 121.155 0.40 . 1 . . . A 396 VAL N . 19526 1 539 . 1 1 48 48 GLN H H 1 8.748 0.04 . 1 . . . A 397 GLN H . 19526 1 540 . 1 1 48 48 GLN HA H 1 3.723 0.04 . 1 . . . A 397 GLN HA . 19526 1 541 . 1 1 48 48 GLN HB2 H 1 1.974 0.04 . 2 . . . A 397 GLN HB2 . 19526 1 542 . 1 1 48 48 GLN HB3 H 1 2.270 0.04 . 2 . . . A 397 GLN HB3 . 19526 1 543 . 1 1 48 48 GLN HG2 H 1 2.355 0.04 . 2 . . . A 397 GLN HG2 . 19526 1 544 . 1 1 48 48 GLN HG3 H 1 2.218 0.04 . 2 . . . A 397 GLN HG3 . 19526 1 545 . 1 1 48 48 GLN HE21 H 1 6.813 0.04 . 2 . . . A 397 GLN HE21 . 19526 1 546 . 1 1 48 48 GLN HE22 H 1 6.813 0.04 . 2 . . . A 397 GLN HE22 . 19526 1 547 . 1 1 48 48 GLN C C 13 177.242 0.40 . 1 . . . A 397 GLN C . 19526 1 548 . 1 1 48 48 GLN CA C 13 58.448 0.40 . 1 . . . A 397 GLN CA . 19526 1 549 . 1 1 48 48 GLN CB C 13 29.590 0.40 . 1 . . . A 397 GLN CB . 19526 1 550 . 1 1 48 48 GLN CG C 13 33.999 0.40 . 1 . . . A 397 GLN CG . 19526 1 551 . 1 1 48 48 GLN N N 15 118.553 0.40 . 1 . . . A 397 GLN N . 19526 1 552 . 1 1 48 48 GLN NE2 N 15 112.108 0.40 . 1 . . . A 397 GLN NE2 . 19526 1 553 . 1 1 49 49 ALA H H 1 7.853 0.04 . 1 . . . A 398 ALA H . 19526 1 554 . 1 1 49 49 ALA HA H 1 4.215 0.04 . 1 . . . A 398 ALA HA . 19526 1 555 . 1 1 49 49 ALA HB1 H 1 1.518 0.04 . 1 . . . A 398 ALA HB1 . 19526 1 556 . 1 1 49 49 ALA HB2 H 1 1.518 0.04 . 1 . . . A 398 ALA HB2 . 19526 1 557 . 1 1 49 49 ALA HB3 H 1 1.518 0.04 . 1 . . . A 398 ALA HB3 . 19526 1 558 . 1 1 49 49 ALA C C 13 180.149 0.40 . 1 . . . A 398 ALA C . 19526 1 559 . 1 1 49 49 ALA CA C 13 55.379 0.40 . 1 . . . A 398 ALA CA . 19526 1 560 . 1 1 49 49 ALA CB C 13 18.061 0.40 . 1 . . . A 398 ALA CB . 19526 1 561 . 1 1 49 49 ALA N N 15 119.896 0.40 . 1 . . . A 398 ALA N . 19526 1 562 . 1 1 50 50 CYS H H 1 8.032 0.04 . 1 . . . A 399 CYS H . 19526 1 563 . 1 1 50 50 CYS HA H 1 3.772 0.04 . 1 . . . A 399 CYS HA . 19526 1 564 . 1 1 50 50 CYS HB2 H 1 3.327 0.04 . 2 . . . A 399 CYS HB2 . 19526 1 565 . 1 1 50 50 CYS HB3 H 1 2.238 0.04 . 2 . . . A 399 CYS HB3 . 19526 1 566 . 1 1 50 50 CYS C C 13 176.862 0.40 . 1 . . . A 399 CYS C . 19526 1 567 . 1 1 50 50 CYS CA C 13 65.964 0.40 . 1 . . . A 399 CYS CA . 19526 1 568 . 1 1 50 50 CYS CB C 13 27.177 0.40 . 1 . . . A 399 CYS CB . 19526 1 569 . 1 1 50 50 CYS N N 15 116.259 0.40 . 1 . . . A 399 CYS N . 19526 1 570 . 1 1 51 51 VAL H H 1 8.009 0.04 . 1 . . . A 400 VAL H . 19526 1 571 . 1 1 51 51 VAL HA H 1 3.362 0.04 . 1 . . . A 400 VAL HA . 19526 1 572 . 1 1 51 51 VAL HB H 1 2.358 0.04 . 1 . . . A 400 VAL HB . 19526 1 573 . 1 1 51 51 VAL HG11 H 1 1.040 0.04 . 2 . . . A 400 VAL HG11 . 19526 1 574 . 1 1 51 51 VAL HG12 H 1 1.040 0.04 . 2 . . . A 400 VAL HG12 . 19526 1 575 . 1 1 51 51 VAL HG13 H 1 1.040 0.04 . 2 . . . A 400 VAL HG13 . 19526 1 576 . 1 1 51 51 VAL HG21 H 1 0.934 0.04 . 2 . . . A 400 VAL HG21 . 19526 1 577 . 1 1 51 51 VAL HG22 H 1 0.934 0.04 . 2 . . . A 400 VAL HG22 . 19526 1 578 . 1 1 51 51 VAL HG23 H 1 0.934 0.04 . 2 . . . A 400 VAL HG23 . 19526 1 579 . 1 1 51 51 VAL C C 13 178.997 0.40 . 1 . . . A 400 VAL C . 19526 1 580 . 1 1 51 51 VAL CA C 13 67.531 0.40 . 1 . . . A 400 VAL CA . 19526 1 581 . 1 1 51 51 VAL CB C 13 31.630 0.40 . 1 . . . A 400 VAL CB . 19526 1 582 . 1 1 51 51 VAL CG1 C 13 22.336 0.40 . 2 . . . A 400 VAL CG1 . 19526 1 583 . 1 1 51 51 VAL CG2 C 13 23.532 0.40 . 2 . . . A 400 VAL CG2 . 19526 1 584 . 1 1 51 51 VAL N N 15 118.686 0.40 . 1 . . . A 400 VAL N . 19526 1 585 . 1 1 52 52 ASP H H 1 8.879 0.04 . 1 . . . A 401 ASP H . 19526 1 586 . 1 1 52 52 ASP HA H 1 4.417 0.04 . 1 . . . A 401 ASP HA . 19526 1 587 . 1 1 52 52 ASP HB2 H 1 2.886 0.04 . 2 . . . A 401 ASP HB2 . 19526 1 588 . 1 1 52 52 ASP HB3 H 1 2.723 0.04 . 2 . . . A 401 ASP HB3 . 19526 1 589 . 1 1 52 52 ASP C C 13 177.829 0.40 . 1 . . . A 401 ASP C . 19526 1 590 . 1 1 52 52 ASP CA C 13 57.033 0.40 . 1 . . . A 401 ASP CA . 19526 1 591 . 1 1 52 52 ASP CB C 13 40.100 0.40 . 1 . . . A 401 ASP CB . 19526 1 592 . 1 1 52 52 ASP N N 15 120.816 0.40 . 1 . . . A 401 ASP N . 19526 1 593 . 1 1 53 53 CYS H H 1 7.713 0.04 . 1 . . . A 402 CYS H . 19526 1 594 . 1 1 53 53 CYS HA H 1 4.212 0.04 . 1 . . . A 402 CYS HA . 19526 1 595 . 1 1 53 53 CYS HB2 H 1 2.849 0.04 . 2 . . . A 402 CYS HB2 . 19526 1 596 . 1 1 53 53 CYS HB3 H 1 2.738 0.04 . 2 . . . A 402 CYS HB3 . 19526 1 597 . 1 1 53 53 CYS C C 13 172.782 0.40 . 1 . . . A 402 CYS C . 19526 1 598 . 1 1 53 53 CYS CA C 13 60.279 0.40 . 1 . . . A 402 CYS CA . 19526 1 599 . 1 1 53 53 CYS CB C 13 28.407 0.40 . 1 . . . A 402 CYS CB . 19526 1 600 . 1 1 53 53 CYS N N 15 116.191 0.40 . 1 . . . A 402 CYS N . 19526 1 601 . 1 1 54 54 ALA H H 1 7.418 0.04 . 1 . . . A 403 ALA H . 19526 1 602 . 1 1 54 54 ALA HA H 1 4.282 0.04 . 1 . . . A 403 ALA HA . 19526 1 603 . 1 1 54 54 ALA HB1 H 1 1.349 0.04 . 1 . . . A 403 ALA HB1 . 19526 1 604 . 1 1 54 54 ALA HB2 H 1 1.349 0.04 . 1 . . . A 403 ALA HB2 . 19526 1 605 . 1 1 54 54 ALA HB3 H 1 1.349 0.04 . 1 . . . A 403 ALA HB3 . 19526 1 606 . 1 1 54 54 ALA C C 13 178.085 0.40 . 1 . . . A 403 ALA C . 19526 1 607 . 1 1 54 54 ALA CA C 13 53.100 0.40 . 1 . . . A 403 ALA CA . 19526 1 608 . 1 1 54 54 ALA CB C 13 20.886 0.40 . 1 . . . A 403 ALA CB . 19526 1 609 . 1 1 54 54 ALA N N 15 123.018 0.40 . 1 . . . A 403 ALA N . 19526 1 610 . 1 1 55 55 LEU H H 1 8.120 0.04 . 1 . . . A 404 LEU H . 19526 1 611 . 1 1 55 55 LEU HA H 1 4.082 0.04 . 1 . . . A 404 LEU HA . 19526 1 612 . 1 1 55 55 LEU HB2 H 1 1.627 0.04 . 2 . . . A 404 LEU HB2 . 19526 1 613 . 1 1 55 55 LEU HB3 H 1 1.454 0.04 . 2 . . . A 404 LEU HB3 . 19526 1 614 . 1 1 55 55 LEU HG H 1 1.177 0.04 . 1 . . . A 404 LEU HG . 19526 1 615 . 1 1 55 55 LEU HD11 H 1 0.764 0.04 . 2 . . . A 404 LEU HD11 . 19526 1 616 . 1 1 55 55 LEU HD12 H 1 0.764 0.04 . 2 . . . A 404 LEU HD12 . 19526 1 617 . 1 1 55 55 LEU HD13 H 1 0.764 0.04 . 2 . . . A 404 LEU HD13 . 19526 1 618 . 1 1 55 55 LEU HD21 H 1 0.834 0.04 . 2 . . . A 404 LEU HD21 . 19526 1 619 . 1 1 55 55 LEU HD22 H 1 0.834 0.04 . 2 . . . A 404 LEU HD22 . 19526 1 620 . 1 1 55 55 LEU HD23 H 1 0.834 0.04 . 2 . . . A 404 LEU HD23 . 19526 1 621 . 1 1 55 55 LEU CA C 13 57.824 0.40 . 1 . . . A 404 LEU CA . 19526 1 622 . 1 1 55 55 LEU CB C 13 42.154 0.40 . 1 . . . A 404 LEU CB . 19526 1 623 . 1 1 55 55 LEU CG C 13 27.897 0.40 . 1 . . . A 404 LEU CG . 19526 1 624 . 1 1 55 55 LEU CD1 C 13 25.793 0.40 . 2 . . . A 404 LEU CD1 . 19526 1 625 . 1 1 55 55 LEU CD2 C 13 23.491 0.40 . 2 . . . A 404 LEU CD2 . 19526 1 626 . 1 1 55 55 LEU N N 15 122.923 0.40 . 1 . . . A 404 LEU N . 19526 1 627 . 1 1 56 56 GLU HA H 1 4.563 0.04 . 1 . . . A 405 GLU HA . 19526 1 628 . 1 1 56 56 GLU HB2 H 1 1.966 0.04 . 2 . . . A 405 GLU HB2 . 19526 1 629 . 1 1 56 56 GLU HB3 H 1 1.788 0.04 . 2 . . . A 405 GLU HB3 . 19526 1 630 . 1 1 56 56 GLU HG2 H 1 2.101 0.04 . 2 . . . A 405 GLU HG2 . 19526 1 631 . 1 1 56 56 GLU HG3 H 1 2.041 0.04 . 2 . . . A 405 GLU HG3 . 19526 1 632 . 1 1 56 56 GLU C C 13 175.383 0.40 . 1 . . . A 405 GLU C . 19526 1 633 . 1 1 56 56 GLU CA C 13 54.539 0.40 . 1 . . . A 405 GLU CA . 19526 1 634 . 1 1 56 56 GLU CB C 13 30.486 0.40 . 1 . . . A 405 GLU CB . 19526 1 635 . 1 1 56 56 GLU CG C 13 36.159 0.40 . 1 . . . A 405 GLU CG . 19526 1 636 . 1 1 57 57 THR H H 1 8.453 0.04 . 1 . . . A 406 THR H . 19526 1 637 . 1 1 57 57 THR HA H 1 3.413 0.04 . 1 . . . A 406 THR HA . 19526 1 638 . 1 1 57 57 THR HB H 1 3.765 0.04 . 1 . . . A 406 THR HB . 19526 1 639 . 1 1 57 57 THR HG21 H 1 1.231 0.04 . 1 . . . A 406 THR HG21 . 19526 1 640 . 1 1 57 57 THR HG22 H 1 1.231 0.04 . 1 . . . A 406 THR HG22 . 19526 1 641 . 1 1 57 57 THR HG23 H 1 1.231 0.04 . 1 . . . A 406 THR HG23 . 19526 1 642 . 1 1 57 57 THR C C 13 174.765 0.40 . 1 . . . A 406 THR C . 19526 1 643 . 1 1 57 57 THR CA C 13 67.890 0.40 . 1 . . . A 406 THR CA . 19526 1 644 . 1 1 57 57 THR CB C 13 69.280 0.40 . 1 . . . A 406 THR CB . 19526 1 645 . 1 1 57 57 THR CG2 C 13 23.349 0.40 . 1 . . . A 406 THR CG2 . 19526 1 646 . 1 1 57 57 THR N N 15 123.081 0.40 . 1 . . . A 406 THR N . 19526 1 647 . 1 1 58 58 LYS H H 1 8.608 0.04 . 1 . . . A 407 LYS H . 19526 1 648 . 1 1 58 58 LYS HA H 1 2.393 0.04 . 1 . . . A 407 LYS HA . 19526 1 649 . 1 1 58 58 LYS HB2 H 1 0.949 0.04 . 2 . . . A 407 LYS HB2 . 19526 1 650 . 1 1 58 58 LYS HB3 H 1 0.699 0.04 . 2 . . . A 407 LYS HB3 . 19526 1 651 . 1 1 58 58 LYS HG2 H 1 0.628 0.04 . 2 . . . A 407 LYS HG2 . 19526 1 652 . 1 1 58 58 LYS HG3 H 1 0.305 0.04 . 2 . . . A 407 LYS HG3 . 19526 1 653 . 1 1 58 58 LYS HD2 H 1 1.325 0.04 . 2 . . . A 407 LYS HD2 . 19526 1 654 . 1 1 58 58 LYS HD3 H 1 1.284 0.04 . 2 . . . A 407 LYS HD3 . 19526 1 655 . 1 1 58 58 LYS HE2 H 1 2.640 0.04 . 2 . . . A 407 LYS HE2 . 19526 1 656 . 1 1 58 58 LYS HE3 H 1 2.584 0.04 . 2 . . . A 407 LYS HE3 . 19526 1 657 . 1 1 58 58 LYS C C 13 178.064 0.40 . 1 . . . A 407 LYS C . 19526 1 658 . 1 1 58 58 LYS CA C 13 59.647 0.40 . 1 . . . A 407 LYS CA . 19526 1 659 . 1 1 58 58 LYS CB C 13 32.572 0.40 . 1 . . . A 407 LYS CB . 19526 1 660 . 1 1 58 58 LYS CG C 13 24.148 0.40 . 1 . . . A 407 LYS CG . 19526 1 661 . 1 1 58 58 LYS CD C 13 29.716 0.40 . 1 . . . A 407 LYS CD . 19526 1 662 . 1 1 58 58 LYS CE C 13 41.848 0.40 . 1 . . . A 407 LYS CE . 19526 1 663 . 1 1 58 58 LYS N N 15 117.773 0.40 . 1 . . . A 407 LYS N . 19526 1 664 . 1 1 59 59 THR H H 1 7.126 0.04 . 1 . . . A 408 THR H . 19526 1 665 . 1 1 59 59 THR HA H 1 3.428 0.04 . 1 . . . A 408 THR HA . 19526 1 666 . 1 1 59 59 THR HB H 1 4.180 0.04 . 1 . . . A 408 THR HB . 19526 1 667 . 1 1 59 59 THR HG21 H 1 0.709 0.04 . 1 . . . A 408 THR HG21 . 19526 1 668 . 1 1 59 59 THR HG22 H 1 0.709 0.04 . 1 . . . A 408 THR HG22 . 19526 1 669 . 1 1 59 59 THR HG23 H 1 0.709 0.04 . 1 . . . A 408 THR HG23 . 19526 1 670 . 1 1 59 59 THR C C 13 175.430 0.40 . 1 . . . A 408 THR C . 19526 1 671 . 1 1 59 59 THR CA C 13 65.482 0.40 . 1 . . . A 408 THR CA . 19526 1 672 . 1 1 59 59 THR CB C 13 68.195 0.40 . 1 . . . A 408 THR CB . 19526 1 673 . 1 1 59 59 THR CG2 C 13 21.524 0.40 . 1 . . . A 408 THR CG2 . 19526 1 674 . 1 1 59 59 THR N N 15 115.442 0.40 . 1 . . . A 408 THR N . 19526 1 675 . 1 1 60 60 VAL H H 1 6.636 0.04 . 1 . . . A 409 VAL H . 19526 1 676 . 1 1 60 60 VAL HA H 1 3.366 0.04 . 1 . . . A 409 VAL HA . 19526 1 677 . 1 1 60 60 VAL HB H 1 1.723 0.04 . 1 . . . A 409 VAL HB . 19526 1 678 . 1 1 60 60 VAL HG11 H 1 0.846 0.04 . 2 . . . A 409 VAL HG11 . 19526 1 679 . 1 1 60 60 VAL HG12 H 1 0.846 0.04 . 2 . . . A 409 VAL HG12 . 19526 1 680 . 1 1 60 60 VAL HG13 H 1 0.846 0.04 . 2 . . . A 409 VAL HG13 . 19526 1 681 . 1 1 60 60 VAL HG21 H 1 0.872 0.04 . 2 . . . A 409 VAL HG21 . 19526 1 682 . 1 1 60 60 VAL HG22 H 1 0.872 0.04 . 2 . . . A 409 VAL HG22 . 19526 1 683 . 1 1 60 60 VAL HG23 H 1 0.872 0.04 . 2 . . . A 409 VAL HG23 . 19526 1 684 . 1 1 60 60 VAL C C 13 177.013 0.40 . 1 . . . A 409 VAL C . 19526 1 685 . 1 1 60 60 VAL CA C 13 66.921 0.40 . 1 . . . A 409 VAL CA . 19526 1 686 . 1 1 60 60 VAL CB C 13 32.150 0.40 . 1 . . . A 409 VAL CB . 19526 1 687 . 1 1 60 60 VAL CG1 C 13 21.630 0.40 . 2 . . . A 409 VAL CG1 . 19526 1 688 . 1 1 60 60 VAL CG2 C 13 24.892 0.40 . 2 . . . A 409 VAL CG2 . 19526 1 689 . 1 1 60 60 VAL N N 15 119.264 0.40 . 1 . . . A 409 VAL N . 19526 1 690 . 1 1 61 61 PHE H H 1 8.350 0.04 . 1 . . . A 410 PHE H . 19526 1 691 . 1 1 61 61 PHE HA H 1 3.837 0.04 . 1 . . . A 410 PHE HA . 19526 1 692 . 1 1 61 61 PHE HB2 H 1 2.716 0.04 . 2 . . . A 410 PHE HB2 . 19526 1 693 . 1 1 61 61 PHE HB3 H 1 2.617 0.04 . 2 . . . A 410 PHE HB3 . 19526 1 694 . 1 1 61 61 PHE C C 13 177.325 0.40 . 1 . . . A 410 PHE C . 19526 1 695 . 1 1 61 61 PHE CA C 13 61.442 0.40 . 1 . . . A 410 PHE CA . 19526 1 696 . 1 1 61 61 PHE CB C 13 40.078 0.40 . 1 . . . A 410 PHE CB . 19526 1 697 . 1 1 61 61 PHE N N 15 118.326 0.40 . 1 . . . A 410 PHE N . 19526 1 698 . 1 1 62 62 GLY H H 1 7.338 0.04 . 1 . . . A 411 GLY H . 19526 1 699 . 1 1 62 62 GLY HA2 H 1 3.829 0.04 . 2 . . . A 411 GLY HA2 . 19526 1 700 . 1 1 62 62 GLY HA3 H 1 3.542 0.04 . 2 . . . A 411 GLY HA3 . 19526 1 701 . 1 1 62 62 GLY C C 13 174.461 0.40 . 1 . . . A 411 GLY C . 19526 1 702 . 1 1 62 62 GLY CA C 13 45.957 0.40 . 1 . . . A 411 GLY CA . 19526 1 703 . 1 1 62 62 GLY N N 15 102.220 0.40 . 1 . . . A 411 GLY N . 19526 1 704 . 1 1 63 63 TYR H H 1 7.304 0.04 . 1 . . . A 412 TYR H . 19526 1 705 . 1 1 63 63 TYR HA H 1 4.362 0.04 . 1 . . . A 412 TYR HA . 19526 1 706 . 1 1 63 63 TYR HB2 H 1 3.093 0.04 . 2 . . . A 412 TYR HB2 . 19526 1 707 . 1 1 63 63 TYR HB3 H 1 2.907 0.04 . 2 . . . A 412 TYR HB3 . 19526 1 708 . 1 1 63 63 TYR HD1 H 1 6.887 0.04 . 3 . . . A 412 TYR HD1 . 19526 1 709 . 1 1 63 63 TYR HE1 H 1 6.396 0.04 . 3 . . . A 412 TYR HE1 . 19526 1 710 . 1 1 63 63 TYR C C 13 176.330 0.40 . 1 . . . A 412 TYR C . 19526 1 711 . 1 1 63 63 TYR CA C 13 59.354 0.40 . 1 . . . A 412 TYR CA . 19526 1 712 . 1 1 63 63 TYR CB C 13 37.731 0.40 . 1 . . . A 412 TYR CB . 19526 1 713 . 1 1 63 63 TYR CD1 C 13 133.925 0.40 . 3 . . . A 412 TYR CD1 . 19526 1 714 . 1 1 63 63 TYR CE1 C 13 117.421 0.40 . 3 . . . A 412 TYR CE1 . 19526 1 715 . 1 1 63 63 TYR N N 15 117.518 0.40 . 1 . . . A 412 TYR N . 19526 1 716 . 1 1 64 64 LEU H H 1 7.332 0.04 . 1 . . . A 413 LEU H . 19526 1 717 . 1 1 64 64 LEU HA H 1 4.244 0.04 . 1 . . . A 413 LEU HA . 19526 1 718 . 1 1 64 64 LEU HB2 H 1 1.483 0.04 . 2 . . . A 413 LEU HB2 . 19526 1 719 . 1 1 64 64 LEU HB3 H 1 0.886 0.04 . 2 . . . A 413 LEU HB3 . 19526 1 720 . 1 1 64 64 LEU HG H 1 1.396 0.04 . 1 . . . A 413 LEU HG . 19526 1 721 . 1 1 64 64 LEU HD11 H 1 0.374 0.04 . 2 . . . A 413 LEU HD11 . 19526 1 722 . 1 1 64 64 LEU HD12 H 1 0.374 0.04 . 2 . . . A 413 LEU HD12 . 19526 1 723 . 1 1 64 64 LEU HD13 H 1 0.374 0.04 . 2 . . . A 413 LEU HD13 . 19526 1 724 . 1 1 64 64 LEU HD21 H 1 0.343 0.04 . 2 . . . A 413 LEU HD21 . 19526 1 725 . 1 1 64 64 LEU HD22 H 1 0.343 0.04 . 2 . . . A 413 LEU HD22 . 19526 1 726 . 1 1 64 64 LEU HD23 H 1 0.343 0.04 . 2 . . . A 413 LEU HD23 . 19526 1 727 . 1 1 64 64 LEU C C 13 175.509 0.40 . 1 . . . A 413 LEU C . 19526 1 728 . 1 1 64 64 LEU CA C 13 53.918 0.40 . 1 . . . A 413 LEU CA . 19526 1 729 . 1 1 64 64 LEU CB C 13 41.568 0.40 . 1 . . . A 413 LEU CB . 19526 1 730 . 1 1 64 64 LEU CG C 13 26.727 0.40 . 1 . . . A 413 LEU CG . 19526 1 731 . 1 1 64 64 LEU CD1 C 13 25.805 0.40 . 2 . . . A 413 LEU CD1 . 19526 1 732 . 1 1 64 64 LEU CD2 C 13 23.081 0.40 . 2 . . . A 413 LEU CD2 . 19526 1 733 . 1 1 64 64 LEU N N 15 121.224 0.40 . 1 . . . A 413 LEU N . 19526 1 734 . 1 1 65 65 LYS H H 1 8.571 0.04 . 1 . . . A 414 LYS H . 19526 1 735 . 1 1 65 65 LYS HA H 1 4.492 0.04 . 1 . . . A 414 LYS HA . 19526 1 736 . 1 1 65 65 LYS HB2 H 1 1.721 0.04 . 2 . . . A 414 LYS HB2 . 19526 1 737 . 1 1 65 65 LYS HB3 H 1 1.661 0.04 . 2 . . . A 414 LYS HB3 . 19526 1 738 . 1 1 65 65 LYS HG2 H 1 1.410 0.04 . 2 . . . A 414 LYS HG2 . 19526 1 739 . 1 1 65 65 LYS HG3 H 1 1.293 0.04 . 2 . . . A 414 LYS HG3 . 19526 1 740 . 1 1 65 65 LYS HD2 H 1 2.875 0.04 . 2 . . . A 414 LYS HD2 . 19526 1 741 . 1 1 65 65 LYS HD3 H 1 1.570 0.04 . 2 . . . A 414 LYS HD3 . 19526 1 742 . 1 1 65 65 LYS HE2 H 1 1.580 0.04 . 2 . . . A 414 LYS HE2 . 19526 1 743 . 1 1 65 65 LYS HE3 H 1 2.880 0.04 . 2 . . . A 414 LYS HE3 . 19526 1 744 . 1 1 65 65 LYS CA C 13 53.283 0.40 . 1 . . . A 414 LYS CA . 19526 1 745 . 1 1 65 65 LYS CB C 13 32.657 0.40 . 1 . . . A 414 LYS CB . 19526 1 746 . 1 1 65 65 LYS CG C 13 24.675 0.40 . 1 . . . A 414 LYS CG . 19526 1 747 . 1 1 65 65 LYS CD C 13 28.862 0.40 . 1 . . . A 414 LYS CD . 19526 1 748 . 1 1 65 65 LYS CE C 13 42.302 0.40 . 1 . . . A 414 LYS CE . 19526 1 749 . 1 1 65 65 LYS N N 15 124.753 0.40 . 1 . . . A 414 LYS N . 19526 1 750 . 1 1 66 66 PRO HA H 1 4.293 0.04 . 1 . . . A 415 PRO HA . 19526 1 751 . 1 1 66 66 PRO HB2 H 1 2.176 0.04 . 2 . . . A 415 PRO HB2 . 19526 1 752 . 1 1 66 66 PRO HB3 H 1 1.899 0.04 . 2 . . . A 415 PRO HB3 . 19526 1 753 . 1 1 66 66 PRO HG2 H 1 1.923 0.04 . 2 . . . A 415 PRO HG2 . 19526 1 754 . 1 1 66 66 PRO HG3 H 1 1.882 0.04 . 2 . . . A 415 PRO HG3 . 19526 1 755 . 1 1 66 66 PRO HD2 H 1 3.779 0.04 . 2 . . . A 415 PRO HD2 . 19526 1 756 . 1 1 66 66 PRO HD3 H 1 3.537 0.04 . 2 . . . A 415 PRO HD3 . 19526 1 757 . 1 1 66 66 PRO C C 13 175.988 0.40 . 1 . . . A 415 PRO C . 19526 1 758 . 1 1 66 66 PRO CA C 13 63.828 0.40 . 1 . . . A 415 PRO CA . 19526 1 759 . 1 1 66 66 PRO CB C 13 32.447 0.40 . 1 . . . A 415 PRO CB . 19526 1 760 . 1 1 66 66 PRO CG C 13 27.425 0.40 . 1 . . . A 415 PRO CG . 19526 1 761 . 1 1 66 66 PRO CD C 13 50.797 0.40 . 1 . . . A 415 PRO CD . 19526 1 762 . 1 1 67 67 ASP H H 1 8.134 0.04 . 1 . . . A 416 ASP H . 19526 1 763 . 1 1 67 67 ASP HA H 1 4.593 0.04 . 1 . . . A 416 ASP HA . 19526 1 764 . 1 1 67 67 ASP HB2 H 1 2.572 0.04 . 2 . . . A 416 ASP HB2 . 19526 1 765 . 1 1 67 67 ASP HB3 H 1 2.372 0.04 . 2 . . . A 416 ASP HB3 . 19526 1 766 . 1 1 67 67 ASP C C 13 175.522 0.40 . 1 . . . A 416 ASP C . 19526 1 767 . 1 1 67 67 ASP CA C 13 53.044 0.40 . 1 . . . A 416 ASP CA . 19526 1 768 . 1 1 67 67 ASP CB C 13 43.178 0.40 . 1 . . . A 416 ASP CB . 19526 1 769 . 1 1 67 67 ASP N N 15 122.538 0.40 . 1 . . . A 416 ASP N . 19526 1 770 . 1 1 68 68 ASN H H 1 8.985 0.04 . 1 . . . A 417 ASN H . 19526 1 771 . 1 1 68 68 ASN HA H 1 4.706 0.04 . 1 . . . A 417 ASN HA . 19526 1 772 . 1 1 68 68 ASN HB2 H 1 2.796 0.04 . 2 . . . A 417 ASN HB2 . 19526 1 773 . 1 1 68 68 ASN HB3 H 1 2.497 0.04 . 2 . . . A 417 ASN HB3 . 19526 1 774 . 1 1 68 68 ASN C C 13 175.776 0.40 . 1 . . . A 417 ASN C . 19526 1 775 . 1 1 68 68 ASN CA C 13 53.105 0.40 . 1 . . . A 417 ASN CA . 19526 1 776 . 1 1 68 68 ASN CB C 13 38.952 0.40 . 1 . . . A 417 ASN CB . 19526 1 777 . 1 1 68 68 ASN N N 15 120.148 0.40 . 1 . . . A 417 ASN N . 19526 1 778 . 1 1 69 69 ARG H H 1 7.893 0.04 . 1 . . . A 418 ARG H . 19526 1 779 . 1 1 69 69 ARG HA H 1 4.297 0.04 . 1 . . . A 418 ARG HA . 19526 1 780 . 1 1 69 69 ARG HB2 H 1 1.897 0.04 . 2 . . . A 418 ARG HB2 . 19526 1 781 . 1 1 69 69 ARG HB3 H 1 1.509 0.04 . 2 . . . A 418 ARG HB3 . 19526 1 782 . 1 1 69 69 ARG HG2 H 1 1.633 0.04 . 2 . . . A 418 ARG HG2 . 19526 1 783 . 1 1 69 69 ARG HG3 H 1 1.482 0.04 . 2 . . . A 418 ARG HG3 . 19526 1 784 . 1 1 69 69 ARG HD2 H 1 3.168 0.04 . 2 . . . A 418 ARG HD2 . 19526 1 785 . 1 1 69 69 ARG HD3 H 1 3.004 0.04 . 2 . . . A 418 ARG HD3 . 19526 1 786 . 1 1 69 69 ARG C C 13 176.089 0.40 . 1 . . . A 418 ARG C . 19526 1 787 . 1 1 69 69 ARG CA C 13 56.233 0.40 . 1 . . . A 418 ARG CA . 19526 1 788 . 1 1 69 69 ARG CB C 13 31.657 0.40 . 1 . . . A 418 ARG CB . 19526 1 789 . 1 1 69 69 ARG CG C 13 26.766 0.40 . 1 . . . A 418 ARG CG . 19526 1 790 . 1 1 69 69 ARG CD C 13 43.706 0.40 . 1 . . . A 418 ARG CD . 19526 1 791 . 1 1 69 69 ARG N N 15 118.912 0.40 . 1 . . . A 418 ARG N . 19526 1 792 . 1 1 70 70 GLY H H 1 8.309 0.04 . 1 . . . A 419 GLY H . 19526 1 793 . 1 1 70 70 GLY HA2 H 1 3.961 0.04 . 2 . . . A 419 GLY HA2 . 19526 1 794 . 1 1 70 70 GLY HA3 H 1 3.535 0.04 . 2 . . . A 419 GLY HA3 . 19526 1 795 . 1 1 70 70 GLY C C 13 174.846 0.40 . 1 . . . A 419 GLY C . 19526 1 796 . 1 1 70 70 GLY CA C 13 45.932 0.40 . 1 . . . A 419 GLY CA . 19526 1 797 . 1 1 70 70 GLY N N 15 108.419 0.40 . 1 . . . A 419 GLY N . 19526 1 798 . 1 1 71 71 GLY H H 1 8.015 0.04 . 1 . . . A 420 GLY H . 19526 1 799 . 1 1 71 71 GLY HA2 H 1 3.941 0.04 . 2 . . . A 420 GLY HA2 . 19526 1 800 . 1 1 71 71 GLY HA3 H 1 3.765 0.04 . 2 . . . A 420 GLY HA3 . 19526 1 801 . 1 1 71 71 GLY C C 13 172.732 0.40 . 1 . . . A 420 GLY C . 19526 1 802 . 1 1 71 71 GLY CA C 13 43.680 0.40 . 1 . . . A 420 GLY CA . 19526 1 803 . 1 1 71 71 GLY N N 15 108.971 0.40 . 1 . . . A 420 GLY N . 19526 1 804 . 1 1 72 72 GLU H H 1 8.377 0.04 . 1 . . . A 421 GLU H . 19526 1 805 . 1 1 72 72 GLU HA H 1 3.829 0.04 . 1 . . . A 421 GLU HA . 19526 1 806 . 1 1 72 72 GLU HB2 H 1 1.818 0.04 . 2 . . . A 421 GLU HB2 . 19526 1 807 . 1 1 72 72 GLU HB3 H 1 1.554 0.04 . 2 . . . A 421 GLU HB3 . 19526 1 808 . 1 1 72 72 GLU HG2 H 1 2.436 0.04 . 2 . . . A 421 GLU HG2 . 19526 1 809 . 1 1 72 72 GLU HG3 H 1 2.137 0.04 . 2 . . . A 421 GLU HG3 . 19526 1 810 . 1 1 72 72 GLU C C 13 175.535 0.40 . 1 . . . A 421 GLU C . 19526 1 811 . 1 1 72 72 GLU CA C 13 55.873 0.40 . 1 . . . A 421 GLU CA . 19526 1 812 . 1 1 72 72 GLU CB C 13 31.224 0.40 . 1 . . . A 421 GLU CB . 19526 1 813 . 1 1 72 72 GLU CG C 13 36.332 0.40 . 1 . . . A 421 GLU CG . 19526 1 814 . 1 1 72 72 GLU N N 15 116.748 0.40 . 1 . . . A 421 GLU N . 19526 1 815 . 1 1 73 73 VAL H H 1 8.257 0.04 . 1 . . . A 422 VAL H . 19526 1 816 . 1 1 73 73 VAL HA H 1 4.478 0.04 . 1 . . . A 422 VAL HA . 19526 1 817 . 1 1 73 73 VAL HB H 1 1.742 0.04 . 1 . . . A 422 VAL HB . 19526 1 818 . 1 1 73 73 VAL HG11 H 1 0.815 0.04 . 2 . . . A 422 VAL HG11 . 19526 1 819 . 1 1 73 73 VAL HG12 H 1 0.815 0.04 . 2 . . . A 422 VAL HG12 . 19526 1 820 . 1 1 73 73 VAL HG13 H 1 0.815 0.04 . 2 . . . A 422 VAL HG13 . 19526 1 821 . 1 1 73 73 VAL HG21 H 1 0.734 0.04 . 2 . . . A 422 VAL HG21 . 19526 1 822 . 1 1 73 73 VAL HG22 H 1 0.734 0.04 . 2 . . . A 422 VAL HG22 . 19526 1 823 . 1 1 73 73 VAL HG23 H 1 0.734 0.04 . 2 . . . A 422 VAL HG23 . 19526 1 824 . 1 1 73 73 VAL C C 13 175.544 0.40 . 1 . . . A 422 VAL C . 19526 1 825 . 1 1 73 73 VAL CA C 13 62.417 0.40 . 1 . . . A 422 VAL CA . 19526 1 826 . 1 1 73 73 VAL CB C 13 33.760 0.40 . 1 . . . A 422 VAL CB . 19526 1 827 . 1 1 73 73 VAL CG1 C 13 22.300 0.40 . 2 . . . A 422 VAL CG1 . 19526 1 828 . 1 1 73 73 VAL CG2 C 13 22.037 0.40 . 2 . . . A 422 VAL CG2 . 19526 1 829 . 1 1 73 73 VAL N N 15 119.246 0.40 . 1 . . . A 422 VAL N . 19526 1 830 . 1 1 74 74 ILE H H 1 8.924 0.04 . 1 . . . A 423 ILE H . 19526 1 831 . 1 1 74 74 ILE HA H 1 4.316 0.04 . 1 . . . A 423 ILE HA . 19526 1 832 . 1 1 74 74 ILE HB H 1 1.844 0.04 . 1 . . . A 423 ILE HB . 19526 1 833 . 1 1 74 74 ILE HG12 H 1 1.502 0.04 . 2 . . . A 423 ILE HG12 . 19526 1 834 . 1 1 74 74 ILE HG13 H 1 0.920 0.04 . 2 . . . A 423 ILE HG13 . 19526 1 835 . 1 1 74 74 ILE HG21 H 1 0.795 0.04 . 1 . . . A 423 ILE HG21 . 19526 1 836 . 1 1 74 74 ILE HG22 H 1 0.795 0.04 . 1 . . . A 423 ILE HG22 . 19526 1 837 . 1 1 74 74 ILE HG23 H 1 0.795 0.04 . 1 . . . A 423 ILE HG23 . 19526 1 838 . 1 1 74 74 ILE HD11 H 1 0.659 0.04 . 1 . . . A 423 ILE HD11 . 19526 1 839 . 1 1 74 74 ILE HD12 H 1 0.659 0.04 . 1 . . . A 423 ILE HD12 . 19526 1 840 . 1 1 74 74 ILE HD13 H 1 0.659 0.04 . 1 . . . A 423 ILE HD13 . 19526 1 841 . 1 1 74 74 ILE C C 13 175.218 0.40 . 1 . . . A 423 ILE C . 19526 1 842 . 1 1 74 74 ILE CA C 13 57.203 0.40 . 1 . . . A 423 ILE CA . 19526 1 843 . 1 1 74 74 ILE CB C 13 37.669 0.40 . 1 . . . A 423 ILE CB . 19526 1 844 . 1 1 74 74 ILE CG1 C 13 26.387 0.40 . 1 . . . A 423 ILE CG1 . 19526 1 845 . 1 1 74 74 ILE CG2 C 13 16.872 0.40 . 1 . . . A 423 ILE CG2 . 19526 1 846 . 1 1 74 74 ILE CD1 C 13 10.987 0.40 . 1 . . . A 423 ILE CD1 . 19526 1 847 . 1 1 74 74 ILE N N 15 127.788 0.40 . 1 . . . A 423 ILE N . 19526 1 848 . 1 1 75 75 THR H H 1 8.920 0.04 . 1 . . . A 424 THR H . 19526 1 849 . 1 1 75 75 THR HA H 1 5.574 0.04 . 1 . . . A 424 THR HA . 19526 1 850 . 1 1 75 75 THR HB H 1 3.809 0.04 . 1 . . . A 424 THR HB . 19526 1 851 . 1 1 75 75 THR HG21 H 1 0.955 0.04 . 1 . . . A 424 THR HG21 . 19526 1 852 . 1 1 75 75 THR HG22 H 1 0.955 0.04 . 1 . . . A 424 THR HG22 . 19526 1 853 . 1 1 75 75 THR HG23 H 1 0.955 0.04 . 1 . . . A 424 THR HG23 . 19526 1 854 . 1 1 75 75 THR C C 13 173.765 0.40 . 1 . . . A 424 THR C . 19526 1 855 . 1 1 75 75 THR CA C 13 59.692 0.40 . 1 . . . A 424 THR CA . 19526 1 856 . 1 1 75 75 THR CB C 13 72.495 0.40 . 1 . . . A 424 THR CB . 19526 1 857 . 1 1 75 75 THR CG2 C 13 21.047 0.40 . 1 . . . A 424 THR CG2 . 19526 1 858 . 1 1 75 75 THR N N 15 117.789 0.40 . 1 . . . A 424 THR N . 19526 1 859 . 1 1 76 76 ALA H H 1 8.481 0.04 . 1 . . . A 425 ALA H . 19526 1 860 . 1 1 76 76 ALA HA H 1 4.399 0.04 . 1 . . . A 425 ALA HA . 19526 1 861 . 1 1 76 76 ALA HB1 H 1 0.749 0.04 . 1 . . . A 425 ALA HB1 . 19526 1 862 . 1 1 76 76 ALA HB2 H 1 0.749 0.04 . 1 . . . A 425 ALA HB2 . 19526 1 863 . 1 1 76 76 ALA HB3 H 1 0.749 0.04 . 1 . . . A 425 ALA HB3 . 19526 1 864 . 1 1 76 76 ALA C C 13 175.323 0.40 . 1 . . . A 425 ALA C . 19526 1 865 . 1 1 76 76 ALA CA C 13 51.602 0.40 . 1 . . . A 425 ALA CA . 19526 1 866 . 1 1 76 76 ALA CB C 13 23.187 0.40 . 1 . . . A 425 ALA CB . 19526 1 867 . 1 1 76 76 ALA N N 15 122.011 0.40 . 1 . . . A 425 ALA N . 19526 1 868 . 1 1 77 77 SER H H 1 8.928 0.04 . 1 . . . A 426 SER H . 19526 1 869 . 1 1 77 77 SER HA H 1 5.205 0.04 . 1 . . . A 426 SER HA . 19526 1 870 . 1 1 77 77 SER HB2 H 1 3.567 0.04 . 2 . . . A 426 SER HB2 . 19526 1 871 . 1 1 77 77 SER HB3 H 1 3.500 0.04 . 2 . . . A 426 SER HB3 . 19526 1 872 . 1 1 77 77 SER C C 13 173.809 0.40 . 1 . . . A 426 SER C . 19526 1 873 . 1 1 77 77 SER CA C 13 56.733 0.40 . 1 . . . A 426 SER CA . 19526 1 874 . 1 1 77 77 SER CB C 13 63.905 0.40 . 1 . . . A 426 SER CB . 19526 1 875 . 1 1 77 77 SER N N 15 117.354 0.40 . 1 . . . A 426 SER N . 19526 1 876 . 1 1 78 78 PHE H H 1 8.070 0.04 . 1 . . . A 427 PHE H . 19526 1 877 . 1 1 78 78 PHE HA H 1 4.682 0.04 . 1 . . . A 427 PHE HA . 19526 1 878 . 1 1 78 78 PHE HB2 H 1 3.356 0.04 . 2 . . . A 427 PHE HB2 . 19526 1 879 . 1 1 78 78 PHE HB3 H 1 2.843 0.04 . 2 . . . A 427 PHE HB3 . 19526 1 880 . 1 1 78 78 PHE HD1 H 1 6.524 0.04 . 3 . . . A 427 PHE HD1 . 19526 1 881 . 1 1 78 78 PHE HE1 H 1 6.314 0.04 . 3 . . . A 427 PHE HE1 . 19526 1 882 . 1 1 78 78 PHE C C 13 175.190 0.40 . 1 . . . A 427 PHE C . 19526 1 883 . 1 1 78 78 PHE CA C 13 57.193 0.40 . 1 . . . A 427 PHE CA . 19526 1 884 . 1 1 78 78 PHE CB C 13 39.421 0.40 . 1 . . . A 427 PHE CB . 19526 1 885 . 1 1 78 78 PHE CD1 C 13 132.054 0.40 . 3 . . . A 427 PHE CD1 . 19526 1 886 . 1 1 78 78 PHE CE1 C 13 130.480 0.40 . 3 . . . A 427 PHE CE1 . 19526 1 887 . 1 1 78 78 PHE N N 15 118.541 0.40 . 1 . . . A 427 PHE N . 19526 1 888 . 1 1 79 79 ASP H H 1 9.523 0.04 . 1 . . . A 428 ASP H . 19526 1 889 . 1 1 79 79 ASP HA H 1 4.300 0.04 . 1 . . . A 428 ASP HA . 19526 1 890 . 1 1 79 79 ASP HB2 H 1 2.976 0.04 . 2 . . . A 428 ASP HB2 . 19526 1 891 . 1 1 79 79 ASP HB3 H 1 2.856 0.04 . 2 . . . A 428 ASP HB3 . 19526 1 892 . 1 1 79 79 ASP C C 13 175.894 0.40 . 1 . . . A 428 ASP C . 19526 1 893 . 1 1 79 79 ASP CA C 13 55.753 0.40 . 1 . . . A 428 ASP CA . 19526 1 894 . 1 1 79 79 ASP CB C 13 39.298 0.40 . 1 . . . A 428 ASP CB . 19526 1 895 . 1 1 79 79 ASP N N 15 119.471 0.40 . 1 . . . A 428 ASP N . 19526 1 896 . 1 1 80 80 GLY H H 1 8.528 0.04 . 1 . . . A 429 GLY H . 19526 1 897 . 1 1 80 80 GLY HA2 H 1 3.986 0.04 . 2 . . . A 429 GLY HA2 . 19526 1 898 . 1 1 80 80 GLY HA3 H 1 3.478 0.04 . 2 . . . A 429 GLY HA3 . 19526 1 899 . 1 1 80 80 GLY C C 13 173.634 0.40 . 1 . . . A 429 GLY C . 19526 1 900 . 1 1 80 80 GLY CA C 13 45.734 0.40 . 1 . . . A 429 GLY CA . 19526 1 901 . 1 1 80 80 GLY N N 15 104.321 0.40 . 1 . . . A 429 GLY N . 19526 1 902 . 1 1 81 81 GLU H H 1 7.376 0.04 . 1 . . . A 430 GLU H . 19526 1 903 . 1 1 81 81 GLU HA H 1 4.457 0.04 . 1 . . . A 430 GLU HA . 19526 1 904 . 1 1 81 81 GLU HB2 H 1 1.491 0.04 . 2 . . . A 430 GLU HB2 . 19526 1 905 . 1 1 81 81 GLU HB3 H 1 1.310 0.04 . 2 . . . A 430 GLU HB3 . 19526 1 906 . 1 1 81 81 GLU HG2 H 1 1.768 0.04 . 2 . . . A 430 GLU HG2 . 19526 1 907 . 1 1 81 81 GLU HG3 H 1 1.768 0.04 . 2 . . . A 430 GLU HG3 . 19526 1 908 . 1 1 81 81 GLU C C 13 174.108 0.40 . 1 . . . A 430 GLU C . 19526 1 909 . 1 1 81 81 GLU CA C 13 54.264 0.40 . 1 . . . A 430 GLU CA . 19526 1 910 . 1 1 81 81 GLU CB C 13 34.191 0.40 . 1 . . . A 430 GLU CB . 19526 1 911 . 1 1 81 81 GLU CG C 13 35.790 0.40 . 1 . . . A 430 GLU CG . 19526 1 912 . 1 1 81 81 GLU N N 15 118.392 0.40 . 1 . . . A 430 GLU N . 19526 1 913 . 1 1 82 82 THR H H 1 8.245 0.04 . 1 . . . A 431 THR H . 19526 1 914 . 1 1 82 82 THR HA H 1 4.285 0.04 . 1 . . . A 431 THR HA . 19526 1 915 . 1 1 82 82 THR HB H 1 3.660 0.04 . 1 . . . A 431 THR HB . 19526 1 916 . 1 1 82 82 THR HG21 H 1 0.847 0.04 . 1 . . . A 431 THR HG21 . 19526 1 917 . 1 1 82 82 THR HG22 H 1 0.847 0.04 . 1 . . . A 431 THR HG22 . 19526 1 918 . 1 1 82 82 THR HG23 H 1 0.847 0.04 . 1 . . . A 431 THR HG23 . 19526 1 919 . 1 1 82 82 THR C C 13 173.086 0.40 . 1 . . . A 431 THR C . 19526 1 920 . 1 1 82 82 THR CA C 13 62.344 0.40 . 1 . . . A 431 THR CA . 19526 1 921 . 1 1 82 82 THR CB C 13 69.472 0.40 . 1 . . . A 431 THR CB . 19526 1 922 . 1 1 82 82 THR CG2 C 13 21.563 0.40 . 1 . . . A 431 THR CG2 . 19526 1 923 . 1 1 82 82 THR N N 15 116.177 0.40 . 1 . . . A 431 THR N . 19526 1 924 . 1 1 83 83 HIS H H 1 8.786 0.04 . 1 . . . A 432 HIS H . 19526 1 925 . 1 1 83 83 HIS HA H 1 4.483 0.04 . 1 . . . A 432 HIS HA . 19526 1 926 . 1 1 83 83 HIS HB2 H 1 2.892 0.04 . 2 . . . A 432 HIS HB2 . 19526 1 927 . 1 1 83 83 HIS HB3 H 1 2.062 0.04 . 2 . . . A 432 HIS HB3 . 19526 1 928 . 1 1 83 83 HIS C C 13 173.522 0.40 . 1 . . . A 432 HIS C . 19526 1 929 . 1 1 83 83 HIS CA C 13 54.649 0.40 . 1 . . . A 432 HIS CA . 19526 1 930 . 1 1 83 83 HIS CB C 13 32.778 0.40 . 1 . . . A 432 HIS CB . 19526 1 931 . 1 1 83 83 HIS N N 15 126.549 0.40 . 1 . . . A 432 HIS N . 19526 1 932 . 1 1 84 84 SER H H 1 8.630 0.04 . 1 . . . A 433 SER H . 19526 1 933 . 1 1 84 84 SER HA H 1 5.766 0.04 . 1 . . . A 433 SER HA . 19526 1 934 . 1 1 84 84 SER HB2 H 1 3.594 0.04 . 2 . . . A 433 SER HB2 . 19526 1 935 . 1 1 84 84 SER HB3 H 1 3.547 0.04 . 2 . . . A 433 SER HB3 . 19526 1 936 . 1 1 84 84 SER C C 13 173.435 0.40 . 1 . . . A 433 SER C . 19526 1 937 . 1 1 84 84 SER CA C 13 57.375 0.40 . 1 . . . A 433 SER CA . 19526 1 938 . 1 1 84 84 SER CB C 13 66.281 0.40 . 1 . . . A 433 SER CB . 19526 1 939 . 1 1 84 84 SER N N 15 115.502 0.40 . 1 . . . A 433 SER N . 19526 1 940 . 1 1 85 85 ILE H H 1 9.067 0.04 . 1 . . . A 434 ILE H . 19526 1 941 . 1 1 85 85 ILE HA H 1 4.510 0.04 . 1 . . . A 434 ILE HA . 19526 1 942 . 1 1 85 85 ILE HB H 1 1.568 0.04 . 1 . . . A 434 ILE HB . 19526 1 943 . 1 1 85 85 ILE HG12 H 1 1.192 0.04 . 2 . . . A 434 ILE HG12 . 19526 1 944 . 1 1 85 85 ILE HG13 H 1 0.744 0.04 . 2 . . . A 434 ILE HG13 . 19526 1 945 . 1 1 85 85 ILE HG21 H 1 0.596 0.04 . 1 . . . A 434 ILE HG21 . 19526 1 946 . 1 1 85 85 ILE HG22 H 1 0.596 0.04 . 1 . . . A 434 ILE HG22 . 19526 1 947 . 1 1 85 85 ILE HG23 H 1 0.596 0.04 . 1 . . . A 434 ILE HG23 . 19526 1 948 . 1 1 85 85 ILE HD11 H 1 0.269 0.04 . 1 . . . A 434 ILE HD11 . 19526 1 949 . 1 1 85 85 ILE HD12 H 1 0.269 0.04 . 1 . . . A 434 ILE HD12 . 19526 1 950 . 1 1 85 85 ILE HD13 H 1 0.269 0.04 . 1 . . . A 434 ILE HD13 . 19526 1 951 . 1 1 85 85 ILE C C 13 173.238 0.40 . 1 . . . A 434 ILE C . 19526 1 952 . 1 1 85 85 ILE CA C 13 59.345 0.40 . 1 . . . A 434 ILE CA . 19526 1 953 . 1 1 85 85 ILE CB C 13 43.489 0.40 . 1 . . . A 434 ILE CB . 19526 1 954 . 1 1 85 85 ILE CG1 C 13 27.252 0.40 . 1 . . . A 434 ILE CG1 . 19526 1 955 . 1 1 85 85 ILE CG2 C 13 19.734 0.40 . 1 . . . A 434 ILE CG2 . 19526 1 956 . 1 1 85 85 ILE CD1 C 13 15.292 0.40 . 1 . . . A 434 ILE CD1 . 19526 1 957 . 1 1 85 85 ILE N N 15 121.303 0.40 . 1 . . . A 434 ILE N . 19526 1 958 . 1 1 86 86 GLN H H 1 8.135 0.04 . 1 . . . A 435 GLN H . 19526 1 959 . 1 1 86 86 GLN HA H 1 4.764 0.04 . 1 . . . A 435 GLN HA . 19526 1 960 . 1 1 86 86 GLN HB2 H 1 1.656 0.04 . 2 . . . A 435 GLN HB2 . 19526 1 961 . 1 1 86 86 GLN HB3 H 1 1.656 0.04 . 2 . . . A 435 GLN HB3 . 19526 1 962 . 1 1 86 86 GLN HE21 H 1 6.782 0.04 . 2 . . . A 435 GLN HE21 . 19526 1 963 . 1 1 86 86 GLN HE22 H 1 6.782 0.04 . 2 . . . A 435 GLN HE22 . 19526 1 964 . 1 1 86 86 GLN C C 13 176.584 0.40 . 1 . . . A 435 GLN C . 19526 1 965 . 1 1 86 86 GLN CA C 13 54.171 0.40 . 1 . . . A 435 GLN CA . 19526 1 966 . 1 1 86 86 GLN CB C 13 30.372 0.40 . 1 . . . A 435 GLN CB . 19526 1 967 . 1 1 86 86 GLN N N 15 119.719 0.40 . 1 . . . A 435 GLN N . 19526 1 968 . 1 1 86 86 GLN NE2 N 15 110.18 0.40 . 1 . . . A 435 GLN NE2 . 19526 1 969 . 1 1 87 87 LEU H H 1 8.756 0.04 . 1 . . . A 436 LEU H . 19526 1 970 . 1 1 87 87 LEU HA H 1 4.161 0.04 . 1 . . . A 436 LEU HA . 19526 1 971 . 1 1 87 87 LEU HB2 H 1 1.469 0.04 . 2 . . . A 436 LEU HB2 . 19526 1 972 . 1 1 87 87 LEU HB3 H 1 0.889 0.04 . 2 . . . A 436 LEU HB3 . 19526 1 973 . 1 1 87 87 LEU HG H 1 0.399 0.04 . 1 . . . A 436 LEU HG . 19526 1 974 . 1 1 87 87 LEU HD11 H 1 0.399 0.04 . 2 . . . A 436 LEU HD11 . 19526 1 975 . 1 1 87 87 LEU HD12 H 1 0.399 0.04 . 2 . . . A 436 LEU HD12 . 19526 1 976 . 1 1 87 87 LEU HD13 H 1 0.399 0.04 . 2 . . . A 436 LEU HD13 . 19526 1 977 . 1 1 87 87 LEU HD21 H 1 0.503 0.04 . 2 . . . A 436 LEU HD21 . 19526 1 978 . 1 1 87 87 LEU HD22 H 1 0.503 0.04 . 2 . . . A 436 LEU HD22 . 19526 1 979 . 1 1 87 87 LEU HD23 H 1 0.503 0.04 . 2 . . . A 436 LEU HD23 . 19526 1 980 . 1 1 87 87 LEU CA C 13 52.717 0.40 . 1 . . . A 436 LEU CA . 19526 1 981 . 1 1 87 87 LEU CB C 13 40.260 0.40 . 1 . . . A 436 LEU CB . 19526 1 982 . 1 1 87 87 LEU CG C 13 26.670 0.40 . 1 . . . A 436 LEU CG . 19526 1 983 . 1 1 87 87 LEU CD1 C 13 25.671 0.40 . 2 . . . A 436 LEU CD1 . 19526 1 984 . 1 1 87 87 LEU CD2 C 13 23.144 0.40 . 2 . . . A 436 LEU CD2 . 19526 1 985 . 1 1 87 87 LEU N N 15 121.731 0.40 . 1 . . . A 436 LEU N . 19526 1 986 . 1 1 88 88 PRO HA H 1 4.472 0.04 . 1 . . . A 437 PRO HA . 19526 1 987 . 1 1 88 88 PRO HB2 H 1 2.111 0.04 . 2 . . . A 437 PRO HB2 . 19526 1 988 . 1 1 88 88 PRO HB3 H 1 1.557 0.04 . 2 . . . A 437 PRO HB3 . 19526 1 989 . 1 1 88 88 PRO HG2 H 1 2.058 0.04 . 2 . . . A 437 PRO HG2 . 19526 1 990 . 1 1 88 88 PRO HG3 H 1 1.716 0.04 . 2 . . . A 437 PRO HG3 . 19526 1 991 . 1 1 88 88 PRO HD2 H 1 3.575 0.04 . 2 . . . A 437 PRO HD2 . 19526 1 992 . 1 1 88 88 PRO HD3 H 1 2.909 0.04 . 2 . . . A 437 PRO HD3 . 19526 1 993 . 1 1 88 88 PRO CA C 13 61.389 0.40 . 1 . . . A 437 PRO CA . 19526 1 994 . 1 1 88 88 PRO CB C 13 30.180 0.40 . 1 . . . A 437 PRO CB . 19526 1 995 . 1 1 88 88 PRO CG C 13 27.241 0.40 . 1 . . . A 437 PRO CG . 19526 1 996 . 1 1 88 88 PRO CD C 13 49.555 0.40 . 1 . . . A 437 PRO CD . 19526 1 997 . 1 1 89 89 PRO HA H 1 4.117 0.04 . 1 . . . A 438 PRO HA . 19526 1 998 . 1 1 89 89 PRO HB2 H 1 1.808 0.04 . 2 . . . A 438 PRO HB2 . 19526 1 999 . 1 1 89 89 PRO HB3 H 1 1.636 0.04 . 2 . . . A 438 PRO HB3 . 19526 1 1000 . 1 1 89 89 PRO HG2 H 1 1.835 0.04 . 2 . . . A 438 PRO HG2 . 19526 1 1001 . 1 1 89 89 PRO HG3 H 1 1.613 0.04 . 2 . . . A 438 PRO HG3 . 19526 1 1002 . 1 1 89 89 PRO HD2 H 1 3.492 0.04 . 2 . . . A 438 PRO HD2 . 19526 1 1003 . 1 1 89 89 PRO HD3 H 1 3.288 0.04 . 2 . . . A 438 PRO HD3 . 19526 1 1004 . 1 1 89 89 PRO C C 13 176.051 0.40 . 1 . . . A 438 PRO C . 19526 1 1005 . 1 1 89 89 PRO CA C 13 62.915 0.40 . 1 . . . A 438 PRO CA . 19526 1 1006 . 1 1 89 89 PRO CB C 13 30.753 0.40 . 1 . . . A 438 PRO CB . 19526 1 1007 . 1 1 89 89 PRO CG C 13 27.922 0.40 . 1 . . . A 438 PRO CG . 19526 1 1008 . 1 1 89 89 PRO CD C 13 49.697 0.40 . 1 . . . A 438 PRO CD . 19526 1 1009 . 1 1 90 90 VAL H H 1 7.940 0.04 . 1 . . . A 439 VAL H . 19526 1 1010 . 1 1 90 90 VAL HA H 1 3.931 0.04 . 1 . . . A 439 VAL HA . 19526 1 1011 . 1 1 90 90 VAL HB H 1 1.631 0.04 . 1 . . . A 439 VAL HB . 19526 1 1012 . 1 1 90 90 VAL HG11 H 1 0.717 0.04 . 2 . . . A 439 VAL HG11 . 19526 1 1013 . 1 1 90 90 VAL HG12 H 1 0.717 0.04 . 2 . . . A 439 VAL HG12 . 19526 1 1014 . 1 1 90 90 VAL HG13 H 1 0.717 0.04 . 2 . . . A 439 VAL HG13 . 19526 1 1015 . 1 1 90 90 VAL HG21 H 1 0.639 0.04 . 2 . . . A 439 VAL HG21 . 19526 1 1016 . 1 1 90 90 VAL HG22 H 1 0.639 0.04 . 2 . . . A 439 VAL HG22 . 19526 1 1017 . 1 1 90 90 VAL HG23 H 1 0.639 0.04 . 2 . . . A 439 VAL HG23 . 19526 1 1018 . 1 1 90 90 VAL CA C 13 61.197 0.40 . 1 . . . A 439 VAL CA . 19526 1 1019 . 1 1 90 90 VAL CB C 13 34.106 0.40 . 1 . . . A 439 VAL CB . 19526 1 1020 . 1 1 90 90 VAL CG1 C 13 22.331 0.40 . 2 . . . A 439 VAL CG1 . 19526 1 1021 . 1 1 90 90 VAL CG2 C 13 21.086 0.40 . 2 . . . A 439 VAL CG2 . 19526 1 1022 . 1 1 90 90 VAL N N 15 121.526 0.40 . 1 . . . A 439 VAL N . 19526 1 1023 . 1 1 91 91 ASN HA H 1 4.788 0.04 . 1 . . . A 440 ASN HA . 19526 1 1024 . 1 1 91 91 ASN HB2 H 1 2.713 0.04 . 2 . . . A 440 ASN HB2 . 19526 1 1025 . 1 1 91 91 ASN HB3 H 1 2.626 0.04 . 2 . . . A 440 ASN HB3 . 19526 1 1026 . 1 1 91 91 ASN HD21 H 1 7.366 0.04 . 2 . . . A 440 ASN HD21 . 19526 1 1027 . 1 1 91 91 ASN HD22 H 1 7.366 0.04 . 2 . . . A 440 ASN HD22 . 19526 1 1028 . 1 1 91 91 ASN C C 13 174.227 0.40 . 1 . . . A 440 ASN C . 19526 1 1029 . 1 1 91 91 ASN CA C 13 52.810 0.40 . 1 . . . A 440 ASN CA . 19526 1 1030 . 1 1 91 91 ASN CB C 13 40.085 0.40 . 1 . . . A 440 ASN CB . 19526 1 1031 . 1 1 91 91 ASN ND2 N 15 112.432 0.40 . 1 . . . A 440 ASN ND2 . 19526 1 1032 . 1 1 92 92 SER H H 1 7.356 0.04 . 1 . . . A 441 SER H . 19526 1 1033 . 1 1 92 92 SER HA H 1 4.811 0.04 . 1 . . . A 441 SER HA . 19526 1 1034 . 1 1 92 92 SER HB2 H 1 4.124 0.04 . 2 . . . A 441 SER HB2 . 19526 1 1035 . 1 1 92 92 SER HB3 H 1 3.852 0.04 . 2 . . . A 441 SER HB3 . 19526 1 1036 . 1 1 92 92 SER C C 13 173.989 0.40 . 1 . . . A 441 SER C . 19526 1 1037 . 1 1 92 92 SER CA C 13 56.309 0.40 . 1 . . . A 441 SER CA . 19526 1 1038 . 1 1 92 92 SER CB C 13 66.096 0.40 . 1 . . . A 441 SER CB . 19526 1 1039 . 1 1 92 92 SER N N 15 111.640 0.40 . 1 . . . A 441 SER N . 19526 1 1040 . 1 1 93 93 ALA H H 1 9.007 0.04 . 1 . . . A 442 ALA H . 19526 1 1041 . 1 1 93 93 ALA HA H 1 3.750 0.04 . 1 . . . A 442 ALA HA . 19526 1 1042 . 1 1 93 93 ALA HB1 H 1 1.406 0.04 . 1 . . . A 442 ALA HB1 . 19526 1 1043 . 1 1 93 93 ALA HB2 H 1 1.406 0.04 . 1 . . . A 442 ALA HB2 . 19526 1 1044 . 1 1 93 93 ALA HB3 H 1 1.406 0.04 . 1 . . . A 442 ALA HB3 . 19526 1 1045 . 1 1 93 93 ALA C C 13 178.819 0.40 . 1 . . . A 442 ALA C . 19526 1 1046 . 1 1 93 93 ALA CA C 13 55.781 0.40 . 1 . . . A 442 ALA CA . 19526 1 1047 . 1 1 93 93 ALA CB C 13 17.984 0.40 . 1 . . . A 442 ALA CB . 19526 1 1048 . 1 1 93 93 ALA N N 15 126.621 0.40 . 1 . . . A 442 ALA N . 19526 1 1049 . 1 1 94 94 SER H H 1 8.535 0.04 . 1 . . . A 443 SER H . 19526 1 1050 . 1 1 94 94 SER HA H 1 4.024 0.04 . 1 . . . A 443 SER HA . 19526 1 1051 . 1 1 94 94 SER HB3 H 1 3.784 0.04 . 2 . . . A 443 SER HB3 . 19526 1 1052 . 1 1 94 94 SER C C 13 177.346 0.40 . 1 . . . A 443 SER C . 19526 1 1053 . 1 1 94 94 SER CA C 13 61.536 0.40 . 1 . . . A 443 SER CA . 19526 1 1054 . 1 1 94 94 SER CB C 13 61.888 0.40 . 1 . . . A 443 SER CB . 19526 1 1055 . 1 1 94 94 SER N N 15 112.044 0.40 . 1 . . . A 443 SER N . 19526 1 1056 . 1 1 95 95 PHE H H 1 7.765 0.04 . 1 . . . A 444 PHE H . 19526 1 1057 . 1 1 95 95 PHE HA H 1 4.197 0.04 . 1 . . . A 444 PHE HA . 19526 1 1058 . 1 1 95 95 PHE HB2 H 1 3.129 0.04 . 2 . . . A 444 PHE HB2 . 19526 1 1059 . 1 1 95 95 PHE HB3 H 1 3.054 0.04 . 2 . . . A 444 PHE HB3 . 19526 1 1060 . 1 1 95 95 PHE HD1 H 1 7.181 0.04 . 3 . . . A 444 PHE HD1 . 19526 1 1061 . 1 1 95 95 PHE C C 13 177.999 0.40 . 1 . . . A 444 PHE C . 19526 1 1062 . 1 1 95 95 PHE CA C 13 61.065 0.40 . 1 . . . A 444 PHE CA . 19526 1 1063 . 1 1 95 95 PHE CB C 13 39.127 0.40 . 1 . . . A 444 PHE CB . 19526 1 1064 . 1 1 95 95 PHE CD1 C 13 131.69 0.40 . 3 . . . A 444 PHE CD1 . 19526 1 1065 . 1 1 95 95 PHE N N 15 121.807 0.40 . 1 . . . A 444 PHE N . 19526 1 1066 . 1 1 96 96 ALA H H 1 7.819 0.04 . 1 . . . A 445 ALA H . 19526 1 1067 . 1 1 96 96 ALA HA H 1 3.808 0.04 . 1 . . . A 445 ALA HA . 19526 1 1068 . 1 1 96 96 ALA HB1 H 1 1.303 0.04 . 1 . . . A 445 ALA HB1 . 19526 1 1069 . 1 1 96 96 ALA HB2 H 1 1.303 0.04 . 1 . . . A 445 ALA HB2 . 19526 1 1070 . 1 1 96 96 ALA HB3 H 1 1.303 0.04 . 1 . . . A 445 ALA HB3 . 19526 1 1071 . 1 1 96 96 ALA C C 13 178.449 0.40 . 1 . . . A 445 ALA C . 19526 1 1072 . 1 1 96 96 ALA CA C 13 55.452 0.40 . 1 . . . A 445 ALA CA . 19526 1 1073 . 1 1 96 96 ALA CB C 13 18.226 0.40 . 1 . . . A 445 ALA CB . 19526 1 1074 . 1 1 96 96 ALA N N 15 121.823 0.40 . 1 . . . A 445 ALA N . 19526 1 1075 . 1 1 97 97 LEU H H 1 8.349 0.04 . 1 . . . A 446 LEU H . 19526 1 1076 . 1 1 97 97 LEU HA H 1 3.948 0.04 . 1 . . . A 446 LEU HA . 19526 1 1077 . 1 1 97 97 LEU HB2 H 1 1.798 0.04 . 2 . . . A 446 LEU HB2 . 19526 1 1078 . 1 1 97 97 LEU HB3 H 1 1.507 0.04 . 2 . . . A 446 LEU HB3 . 19526 1 1079 . 1 1 97 97 LEU HG H 1 1.770 0.04 . 1 . . . A 446 LEU HG . 19526 1 1080 . 1 1 97 97 LEU HD11 H 1 0.827 0.04 . 2 . . . A 446 LEU HD11 . 19526 1 1081 . 1 1 97 97 LEU HD12 H 1 0.827 0.04 . 2 . . . A 446 LEU HD12 . 19526 1 1082 . 1 1 97 97 LEU HD13 H 1 0.827 0.04 . 2 . . . A 446 LEU HD13 . 19526 1 1083 . 1 1 97 97 LEU HD21 H 1 0.704 0.04 . 2 . . . A 446 LEU HD21 . 19526 1 1084 . 1 1 97 97 LEU HD22 H 1 0.704 0.04 . 2 . . . A 446 LEU HD22 . 19526 1 1085 . 1 1 97 97 LEU HD23 H 1 0.704 0.04 . 2 . . . A 446 LEU HD23 . 19526 1 1086 . 1 1 97 97 LEU C C 13 179.665 0.40 . 1 . . . A 446 LEU C . 19526 1 1087 . 1 1 97 97 LEU CA C 13 57.702 0.40 . 1 . . . A 446 LEU CA . 19526 1 1088 . 1 1 97 97 LEU CB C 13 40.517 0.40 . 1 . . . A 446 LEU CB . 19526 1 1089 . 1 1 97 97 LEU CG C 13 27.407 0.40 . 1 . . . A 446 LEU CG . 19526 1 1090 . 1 1 97 97 LEU CD1 C 13 25.099 0.40 . 2 . . . A 446 LEU CD1 . 19526 1 1091 . 1 1 97 97 LEU CD2 C 13 22.065 0.40 . 2 . . . A 446 LEU CD2 . 19526 1 1092 . 1 1 97 97 LEU N N 15 116.706 0.40 . 1 . . . A 446 LEU N . 19526 1 1093 . 1 1 98 98 ARG H H 1 7.861 0.04 . 1 . . . A 447 ARG H . 19526 1 1094 . 1 1 98 98 ARG HA H 1 4.037 0.04 . 1 . . . A 447 ARG HA . 19526 1 1095 . 1 1 98 98 ARG HB2 H 1 1.783 0.04 . 2 . . . A 447 ARG HB2 . 19526 1 1096 . 1 1 98 98 ARG HB3 H 1 1.783 0.04 . 2 . . . A 447 ARG HB3 . 19526 1 1097 . 1 1 98 98 ARG HG2 H 1 1.590 0.04 . 2 . . . A 447 ARG HG2 . 19526 1 1098 . 1 1 98 98 ARG HG3 H 1 1.590 0.04 . 2 . . . A 447 ARG HG3 . 19526 1 1099 . 1 1 98 98 ARG HD2 H 1 3.065 0.04 . 2 . . . A 447 ARG HD2 . 19526 1 1100 . 1 1 98 98 ARG HD3 H 1 3.065 0.04 . 2 . . . A 447 ARG HD3 . 19526 1 1101 . 1 1 98 98 ARG C C 13 178.344 0.40 . 1 . . . A 447 ARG C . 19526 1 1102 . 1 1 98 98 ARG CA C 13 59.089 0.40 . 1 . . . A 447 ARG CA . 19526 1 1103 . 1 1 98 98 ARG CB C 13 30.070 0.40 . 1 . . . A 447 ARG CB . 19526 1 1104 . 1 1 98 98 ARG CG C 13 26.990 0.40 . 1 . . . A 447 ARG CG . 19526 1 1105 . 1 1 98 98 ARG CD C 13 43.228 0.40 . 1 . . . A 447 ARG CD . 19526 1 1106 . 1 1 98 98 ARG N N 15 121.262 0.40 . 1 . . . A 447 ARG N . 19526 1 1107 . 1 1 99 99 PHE H H 1 8.288 0.04 . 1 . . . A 448 PHE H . 19526 1 1108 . 1 1 99 99 PHE HA H 1 3.832 0.04 . 1 . . . A 448 PHE HA . 19526 1 1109 . 1 1 99 99 PHE HB2 H 1 3.142 0.04 . 2 . . . A 448 PHE HB2 . 19526 1 1110 . 1 1 99 99 PHE HB3 H 1 2.683 0.04 . 2 . . . A 448 PHE HB3 . 19526 1 1111 . 1 1 99 99 PHE C C 13 179.049 0.40 . 1 . . . A 448 PHE C . 19526 1 1112 . 1 1 99 99 PHE CA C 13 62.009 0.40 . 1 . . . A 448 PHE CA . 19526 1 1113 . 1 1 99 99 PHE CB C 13 38.523 0.40 . 1 . . . A 448 PHE CB . 19526 1 1114 . 1 1 99 99 PHE N N 15 121.152 0.40 . 1 . . . A 448 PHE N . 19526 1 1115 . 1 1 100 100 LEU H H 1 8.304 0.04 . 1 . . . A 449 LEU H . 19526 1 1116 . 1 1 100 100 LEU HA H 1 3.995 0.04 . 1 . . . A 449 LEU HA . 19526 1 1117 . 1 1 100 100 LEU HB2 H 1 1.964 0.04 . 2 . . . A 449 LEU HB2 . 19526 1 1118 . 1 1 100 100 LEU HB3 H 1 1.387 0.04 . 2 . . . A 449 LEU HB3 . 19526 1 1119 . 1 1 100 100 LEU HG H 1 1.884 0.04 . 1 . . . A 449 LEU HG . 19526 1 1120 . 1 1 100 100 LEU HD11 H 1 0.718 0.04 . 2 . . . A 449 LEU HD11 . 19526 1 1121 . 1 1 100 100 LEU HD12 H 1 0.718 0.04 . 2 . . . A 449 LEU HD12 . 19526 1 1122 . 1 1 100 100 LEU HD13 H 1 0.718 0.04 . 2 . . . A 449 LEU HD13 . 19526 1 1123 . 1 1 100 100 LEU HD21 H 1 0.718 0.04 . 2 . . . A 449 LEU HD21 . 19526 1 1124 . 1 1 100 100 LEU HD22 H 1 0.718 0.04 . 2 . . . A 449 LEU HD22 . 19526 1 1125 . 1 1 100 100 LEU HD23 H 1 0.718 0.04 . 2 . . . A 449 LEU HD23 . 19526 1 1126 . 1 1 100 100 LEU C C 13 178.491 0.40 . 1 . . . A 449 LEU C . 19526 1 1127 . 1 1 100 100 LEU CA C 13 57.757 0.40 . 1 . . . A 449 LEU CA . 19526 1 1128 . 1 1 100 100 LEU CB C 13 41.865 0.40 . 1 . . . A 449 LEU CB . 19526 1 1129 . 1 1 100 100 LEU CG C 13 26.573 0.40 . 1 . . . A 449 LEU CG . 19526 1 1130 . 1 1 100 100 LEU CD1 C 13 25.518 0.40 . 2 . . . A 449 LEU CD1 . 19526 1 1131 . 1 1 100 100 LEU CD2 C 13 23.006 0.40 . 2 . . . A 449 LEU CD2 . 19526 1 1132 . 1 1 100 100 LEU N N 15 119.715 0.40 . 1 . . . A 449 LEU N . 19526 1 1133 . 1 1 101 101 GLU H H 1 8.488 0.04 . 1 . . . A 450 GLU H . 19526 1 1134 . 1 1 101 101 GLU HA H 1 3.943 0.04 . 1 . . . A 450 GLU HA . 19526 1 1135 . 1 1 101 101 GLU HB2 H 1 2.155 0.04 . 2 . . . A 450 GLU HB2 . 19526 1 1136 . 1 1 101 101 GLU HB3 H 1 1.972 0.04 . 2 . . . A 450 GLU HB3 . 19526 1 1137 . 1 1 101 101 GLU HG2 H 1 2.363 0.04 . 2 . . . A 450 GLU HG2 . 19526 1 1138 . 1 1 101 101 GLU HG3 H 1 2.134 0.04 . 2 . . . A 450 GLU HG3 . 19526 1 1139 . 1 1 101 101 GLU C C 13 179.460 0.40 . 1 . . . A 450 GLU C . 19526 1 1140 . 1 1 101 101 GLU CA C 13 59.762 0.40 . 1 . . . A 450 GLU CA . 19526 1 1141 . 1 1 101 101 GLU CB C 13 29.477 0.40 . 1 . . . A 450 GLU CB . 19526 1 1142 . 1 1 101 101 GLU CG C 13 36.329 0.40 . 1 . . . A 450 GLU CG . 19526 1 1143 . 1 1 101 101 GLU N N 15 122.098 0.40 . 1 . . . A 450 GLU N . 19526 1 1144 . 1 1 102 102 ASN H H 1 7.901 0.04 . 1 . . . A 451 ASN H . 19526 1 1145 . 1 1 102 102 ASN HA H 1 4.322 0.04 . 1 . . . A 451 ASN HA . 19526 1 1146 . 1 1 102 102 ASN HB2 H 1 2.642 0.04 . 2 . . . A 451 ASN HB2 . 19526 1 1147 . 1 1 102 102 ASN HB3 H 1 2.642 0.04 . 2 . . . A 451 ASN HB3 . 19526 1 1148 . 1 1 102 102 ASN HD21 H 1 7.540 0.04 . 2 . . . A 451 ASN HD21 . 19526 1 1149 . 1 1 102 102 ASN HD22 H 1 7.540 0.04 . 2 . . . A 451 ASN HD22 . 19526 1 1150 . 1 1 102 102 ASN C C 13 177.302 0.40 . 1 . . . A 451 ASN C . 19526 1 1151 . 1 1 102 102 ASN CA C 13 56.468 0.40 . 1 . . . A 451 ASN CA . 19526 1 1152 . 1 1 102 102 ASN CB C 13 38.152 0.40 . 1 . . . A 451 ASN CB . 19526 1 1153 . 1 1 102 102 ASN N N 15 118.672 0.40 . 1 . . . A 451 ASN N . 19526 1 1154 . 1 1 102 102 ASN ND2 N 15 113.271 0.40 . 1 . . . A 451 ASN ND2 . 19526 1 1155 . 1 1 103 103 PHE H H 1 8.269 0.04 . 1 . . . A 452 PHE H . 19526 1 1156 . 1 1 103 103 PHE HA H 1 4.230 0.04 . 1 . . . A 452 PHE HA . 19526 1 1157 . 1 1 103 103 PHE HB2 H 1 2.872 0.04 . 2 . . . A 452 PHE HB2 . 19526 1 1158 . 1 1 103 103 PHE HB3 H 1 2.727 0.04 . 2 . . . A 452 PHE HB3 . 19526 1 1159 . 1 1 103 103 PHE HD1 H 1 7.057 0.04 . 3 . . . A 452 PHE HD1 . 19526 1 1160 . 1 1 103 103 PHE HD2 H 1 6.973 0.04 . 3 . . . A 452 PHE HD2 . 19526 1 1161 . 1 1 103 103 PHE HZ H 1 6.751 0.04 . 1 . . . A 452 PHE HZ . 19526 1 1162 . 1 1 103 103 PHE C C 13 177.395 0.40 . 1 . . . A 452 PHE C . 19526 1 1163 . 1 1 103 103 PHE CA C 13 60.047 0.40 . 1 . . . A 452 PHE CA . 19526 1 1164 . 1 1 103 103 PHE CB C 13 39.763 0.40 . 1 . . . A 452 PHE CB . 19526 1 1165 . 1 1 103 103 PHE CD1 C 13 131.234 0.40 . 3 . . . A 452 PHE CD1 . 19526 1 1166 . 1 1 103 103 PHE CD2 C 13 131.188 0.40 . 3 . . . A 452 PHE CD2 . 19526 1 1167 . 1 1 103 103 PHE CZ C 13 128.990 0.40 . 1 . . . A 452 PHE CZ . 19526 1 1168 . 1 1 103 103 PHE N N 15 123.458 0.40 . 1 . . . A 452 PHE N . 19526 1 1169 . 1 1 104 104 CYS H H 1 8.772 0.04 . 1 . . . A 453 CYS H . 19526 1 1170 . 1 1 104 104 CYS HA H 1 3.728 0.04 . 1 . . . A 453 CYS HA . 19526 1 1171 . 1 1 104 104 CYS HB2 H 1 3.009 0.04 . 2 . . . A 453 CYS HB2 . 19526 1 1172 . 1 1 104 104 CYS HB3 H 1 2.855 0.04 . 2 . . . A 453 CYS HB3 . 19526 1 1173 . 1 1 104 104 CYS C C 13 176.686 0.40 . 1 . . . A 453 CYS C . 19526 1 1174 . 1 1 104 104 CYS CA C 13 63.924 0.40 . 1 . . . A 453 CYS CA . 19526 1 1175 . 1 1 104 104 CYS CB C 13 26.763 0.40 . 1 . . . A 453 CYS CB . 19526 1 1176 . 1 1 104 104 CYS N N 15 115.813 0.40 . 1 . . . A 453 CYS N . 19526 1 1177 . 1 1 105 105 HIS H H 1 8.104 0.04 . 1 . . . A 454 HIS H . 19526 1 1178 . 1 1 105 105 HIS HA H 1 4.371 0.04 . 1 . . . A 454 HIS HA . 19526 1 1179 . 1 1 105 105 HIS HB2 H 1 3.244 0.04 . 2 . . . A 454 HIS HB2 . 19526 1 1180 . 1 1 105 105 HIS HB3 H 1 3.194 0.04 . 2 . . . A 454 HIS HB3 . 19526 1 1181 . 1 1 105 105 HIS HD2 H 1 7.077 0.04 . 1 . . . A 454 HIS HD2 . 19526 1 1182 . 1 1 105 105 HIS C C 13 179.794 0.40 . 1 . . . A 454 HIS C . 19526 1 1183 . 1 1 105 105 HIS CA C 13 59.346 0.40 . 1 . . . A 454 HIS CA . 19526 1 1184 . 1 1 105 105 HIS CB C 13 28.410 0.40 . 1 . . . A 454 HIS CB . 19526 1 1185 . 1 1 105 105 HIS CD2 C 13 121.061 0.40 . 1 . . . A 454 HIS CD2 . 19526 1 1186 . 1 1 105 105 HIS N N 15 118.967 0.40 . 1 . . . A 454 HIS N . 19526 1 1187 . 1 1 106 106 SER H H 1 8.061 0.04 . 1 . . . A 455 SER H . 19526 1 1188 . 1 1 106 106 SER HB2 H 1 3.707 0.04 . 2 . . . A 455 SER HB2 . 19526 1 1189 . 1 1 106 106 SER HB3 H 1 3.100 0.04 . 2 . . . A 455 SER HB3 . 19526 1 1190 . 1 1 106 106 SER C C 13 173.964 0.40 . 1 . . . A 455 SER C . 19526 1 1191 . 1 1 106 106 SER CB C 13 62.099 0.40 . 1 . . . A 455 SER CB . 19526 1 1192 . 1 1 106 106 SER N N 15 119.235 0.40 . 1 . . . A 455 SER N . 19526 1 1193 . 1 1 107 107 LEU H H 1 7.059 0.04 . 1 . . . A 456 LEU H . 19526 1 1194 . 1 1 107 107 LEU HA H 1 3.668 0.04 . 1 . . . A 456 LEU HA . 19526 1 1195 . 1 1 107 107 LEU HB2 H 1 1.587 0.04 . 2 . . . A 456 LEU HB2 . 19526 1 1196 . 1 1 107 107 LEU HB3 H 1 1.340 0.04 . 2 . . . A 456 LEU HB3 . 19526 1 1197 . 1 1 107 107 LEU HG H 1 0.902 0.04 . 1 . . . A 456 LEU HG . 19526 1 1198 . 1 1 107 107 LEU HD11 H 1 0.223 0.04 . 2 . . . A 456 LEU HD11 . 19526 1 1199 . 1 1 107 107 LEU HD12 H 1 0.223 0.04 . 2 . . . A 456 LEU HD12 . 19526 1 1200 . 1 1 107 107 LEU HD13 H 1 0.223 0.04 . 2 . . . A 456 LEU HD13 . 19526 1 1201 . 1 1 107 107 LEU HD21 H 1 -0.059 0.04 . 2 . . . A 456 LEU HD21 . 19526 1 1202 . 1 1 107 107 LEU HD22 H 1 -0.059 0.04 . 2 . . . A 456 LEU HD22 . 19526 1 1203 . 1 1 107 107 LEU HD23 H 1 -0.059 0.04 . 2 . . . A 456 LEU HD23 . 19526 1 1204 . 1 1 107 107 LEU C C 13 175.180 0.40 . 1 . . . A 456 LEU C . 19526 1 1205 . 1 1 107 107 LEU CA C 13 54.884 0.40 . 1 . . . A 456 LEU CA . 19526 1 1206 . 1 1 107 107 LEU CB C 13 42.982 0.40 . 1 . . . A 456 LEU CB . 19526 1 1207 . 1 1 107 107 LEU CG C 13 26.454 0.40 . 1 . . . A 456 LEU CG . 19526 1 1208 . 1 1 107 107 LEU CD1 C 13 24.078 0.40 . 2 . . . A 456 LEU CD1 . 19526 1 1209 . 1 1 107 107 LEU CD2 C 13 24.910 0.40 . 2 . . . A 456 LEU CD2 . 19526 1 1210 . 1 1 107 107 LEU N N 15 117.677 0.40 . 1 . . . A 456 LEU N . 19526 1 1211 . 1 1 108 108 GLN H H 1 7.571 0.04 . 1 . . . A 457 GLN H . 19526 1 1212 . 1 1 108 108 GLN HA H 1 3.794 0.04 . 1 . . . A 457 GLN HA . 19526 1 1213 . 1 1 108 108 GLN HB2 H 1 2.110 0.04 . 2 . . . A 457 GLN HB2 . 19526 1 1214 . 1 1 108 108 GLN HB3 H 1 2.158 0.04 . 2 . . . A 457 GLN HB3 . 19526 1 1215 . 1 1 108 108 GLN HG2 H 1 2.086 0.04 . 2 . . . A 457 GLN HG2 . 19526 1 1216 . 1 1 108 108 GLN HG3 H 1 1.975 0.04 . 2 . . . A 457 GLN HG3 . 19526 1 1217 . 1 1 108 108 GLN HE21 H 1 7.580 0.04 . 2 . . . A 457 GLN HE21 . 19526 1 1218 . 1 1 108 108 GLN HE22 H 1 7.580 0.04 . 2 . . . A 457 GLN HE22 . 19526 1 1219 . 1 1 108 108 GLN C C 13 174.008 0.40 . 1 . . . A 457 GLN C . 19526 1 1220 . 1 1 108 108 GLN CA C 13 56.859 0.40 . 1 . . . A 457 GLN CA . 19526 1 1221 . 1 1 108 108 GLN CB C 13 26.526 0.40 . 1 . . . A 457 GLN CB . 19526 1 1222 . 1 1 108 108 GLN CG C 13 34.447 0.40 . 1 . . . A 457 GLN CG . 19526 1 1223 . 1 1 108 108 GLN N N 15 113.249 0.40 . 1 . . . A 457 GLN N . 19526 1 1224 . 1 1 108 108 GLN NE2 N 15 112.136 0.40 . 1 . . . A 457 GLN NE2 . 19526 1 1225 . 1 1 109 109 CYS H H 1 8.131 0.04 . 1 . . . A 458 CYS H . 19526 1 1226 . 1 1 109 109 CYS HA H 1 4.775 0.04 . 1 . . . A 458 CYS HA . 19526 1 1227 . 1 1 109 109 CYS HB2 H 1 2.934 0.04 . 2 . . . A 458 CYS HB2 . 19526 1 1228 . 1 1 109 109 CYS HB3 H 1 2.358 0.04 . 2 . . . A 458 CYS HB3 . 19526 1 1229 . 1 1 109 109 CYS C C 13 174.218 0.40 . 1 . . . A 458 CYS C . 19526 1 1230 . 1 1 109 109 CYS CA C 13 54.632 0.40 . 1 . . . A 458 CYS CA . 19526 1 1231 . 1 1 109 109 CYS CB C 13 28.596 0.40 . 1 . . . A 458 CYS CB . 19526 1 1232 . 1 1 109 109 CYS N N 15 114.503 0.40 . 1 . . . A 458 CYS N . 19526 1 1233 . 1 1 110 110 ASP H H 1 8.280 0.04 . 1 . . . A 459 ASP H . 19526 1 1234 . 1 1 110 110 ASP HA H 1 4.212 0.04 . 1 . . . A 459 ASP HA . 19526 1 1235 . 1 1 110 110 ASP HB2 H 1 2.484 0.04 . 2 . . . A 459 ASP HB2 . 19526 1 1236 . 1 1 110 110 ASP HB3 H 1 2.396 0.04 . 2 . . . A 459 ASP HB3 . 19526 1 1237 . 1 1 110 110 ASP C C 13 175.727 0.40 . 1 . . . A 459 ASP C . 19526 1 1238 . 1 1 110 110 ASP CA C 13 56.014 0.40 . 1 . . . A 459 ASP CA . 19526 1 1239 . 1 1 110 110 ASP CB C 13 41.918 0.40 . 1 . . . A 459 ASP CB . 19526 1 1240 . 1 1 110 110 ASP N N 15 118.622 0.40 . 1 . . . A 459 ASP N . 19526 1 1241 . 1 1 111 111 ASN H H 1 8.851 0.04 . 1 . . . A 460 ASN H . 19526 1 1242 . 1 1 111 111 ASN HA H 1 4.657 0.04 . 1 . . . A 460 ASN HA . 19526 1 1243 . 1 1 111 111 ASN HB2 H 1 2.943 0.04 . 2 . . . A 460 ASN HB2 . 19526 1 1244 . 1 1 111 111 ASN HB3 H 1 2.708 0.04 . 2 . . . A 460 ASN HB3 . 19526 1 1245 . 1 1 111 111 ASN HD21 H 1 6.840 0.04 . 2 . . . A 460 ASN HD21 . 19526 1 1246 . 1 1 111 111 ASN HD22 H 1 6.840 0.04 . 2 . . . A 460 ASN HD22 . 19526 1 1247 . 1 1 111 111 ASN C C 13 173.921 0.40 . 1 . . . A 460 ASN C . 19526 1 1248 . 1 1 111 111 ASN CA C 13 53.453 0.40 . 1 . . . A 460 ASN CA . 19526 1 1249 . 1 1 111 111 ASN CB C 13 38.186 0.40 . 1 . . . A 460 ASN CB . 19526 1 1250 . 1 1 111 111 ASN N N 15 116.738 0.40 . 1 . . . A 460 ASN N . 19526 1 1251 . 1 1 111 111 ASN ND2 N 15 111.64 0.40 . 1 . . . A 460 ASN ND2 . 19526 1 1252 . 1 1 112 112 LEU H H 1 7.823 0.04 . 1 . . . A 461 LEU H . 19526 1 1253 . 1 1 112 112 LEU HA H 1 4.172 0.04 . 1 . . . A 461 LEU HA . 19526 1 1254 . 1 1 112 112 LEU HB2 H 1 1.761 0.04 . 2 . . . A 461 LEU HB2 . 19526 1 1255 . 1 1 112 112 LEU HB3 H 1 1.468 0.04 . 2 . . . A 461 LEU HB3 . 19526 1 1256 . 1 1 112 112 LEU HG H 1 1.464 0.04 . 1 . . . A 461 LEU HG . 19526 1 1257 . 1 1 112 112 LEU HD11 H 1 0.723 0.04 . 2 . . . A 461 LEU HD11 . 19526 1 1258 . 1 1 112 112 LEU HD12 H 1 0.723 0.04 . 2 . . . A 461 LEU HD12 . 19526 1 1259 . 1 1 112 112 LEU HD13 H 1 0.723 0.04 . 2 . . . A 461 LEU HD13 . 19526 1 1260 . 1 1 112 112 LEU HD21 H 1 0.777 0.04 . 2 . . . A 461 LEU HD21 . 19526 1 1261 . 1 1 112 112 LEU HD22 H 1 0.777 0.04 . 2 . . . A 461 LEU HD22 . 19526 1 1262 . 1 1 112 112 LEU HD23 H 1 0.777 0.04 . 2 . . . A 461 LEU HD23 . 19526 1 1263 . 1 1 112 112 LEU C C 13 174.707 0.40 . 1 . . . A 461 LEU C . 19526 1 1264 . 1 1 112 112 LEU CA C 13 57.495 0.40 . 1 . . . A 461 LEU CA . 19526 1 1265 . 1 1 112 112 LEU CB C 13 44.484 0.40 . 1 . . . A 461 LEU CB . 19526 1 1266 . 1 1 112 112 LEU CG C 13 27.261 0.40 . 1 . . . A 461 LEU CG . 19526 1 1267 . 1 1 112 112 LEU CD1 C 13 25.865 0.40 . 2 . . . A 461 LEU CD1 . 19526 1 1268 . 1 1 112 112 LEU CD2 C 13 24.160 0.40 . 2 . . . A 461 LEU CD2 . 19526 1 1269 . 1 1 112 112 LEU N N 15 118.177 0.40 . 1 . . . A 461 LEU N . 19526 1 1270 . 1 1 113 113 LEU H H 1 7.537 0.04 . 1 . . . A 462 LEU H . 19526 1 1271 . 1 1 113 113 LEU HA H 1 5.754 0.04 . 1 . . . A 462 LEU HA . 19526 1 1272 . 1 1 113 113 LEU HB2 H 1 1.615 0.04 . 2 . . . A 462 LEU HB2 . 19526 1 1273 . 1 1 113 113 LEU HB3 H 1 1.115 0.04 . 2 . . . A 462 LEU HB3 . 19526 1 1274 . 1 1 113 113 LEU HG H 1 1.405 0.04 . 1 . . . A 462 LEU HG . 19526 1 1275 . 1 1 113 113 LEU HD11 H 1 0.635 0.04 . 2 . . . A 462 LEU HD11 . 19526 1 1276 . 1 1 113 113 LEU HD12 H 1 0.635 0.04 . 2 . . . A 462 LEU HD12 . 19526 1 1277 . 1 1 113 113 LEU HD13 H 1 0.635 0.04 . 2 . . . A 462 LEU HD13 . 19526 1 1278 . 1 1 113 113 LEU HD21 H 1 0.724 0.04 . 2 . . . A 462 LEU HD21 . 19526 1 1279 . 1 1 113 113 LEU HD22 H 1 0.724 0.04 . 2 . . . A 462 LEU HD22 . 19526 1 1280 . 1 1 113 113 LEU HD23 H 1 0.724 0.04 . 2 . . . A 462 LEU HD23 . 19526 1 1281 . 1 1 113 113 LEU C C 13 177.350 0.40 . 1 . . . A 462 LEU C . 19526 1 1282 . 1 1 113 113 LEU CA C 13 52.335 0.40 . 1 . . . A 462 LEU CA . 19526 1 1283 . 1 1 113 113 LEU CB C 13 44.914 0.40 . 1 . . . A 462 LEU CB . 19526 1 1284 . 1 1 113 113 LEU CG C 13 26.920 0.40 . 1 . . . A 462 LEU CG . 19526 1 1285 . 1 1 113 113 LEU CD1 C 13 27.689 0.40 . 2 . . . A 462 LEU CD1 . 19526 1 1286 . 1 1 113 113 LEU CD2 C 13 23.808 0.40 . 2 . . . A 462 LEU CD2 . 19526 1 1287 . 1 1 113 113 LEU N N 15 112.916 0.40 . 1 . . . A 462 LEU N . 19526 1 1288 . 1 1 114 114 SER H H 1 8.533 0.04 . 1 . . . A 463 SER H . 19526 1 1289 . 1 1 114 114 SER HA H 1 4.683 0.04 . 1 . . . A 463 SER HA . 19526 1 1290 . 1 1 114 114 SER HB2 H 1 3.691 0.04 . 2 . . . A 463 SER HB2 . 19526 1 1291 . 1 1 114 114 SER HB3 H 1 3.341 0.04 . 2 . . . A 463 SER HB3 . 19526 1 1292 . 1 1 114 114 SER C C 13 173.358 0.40 . 1 . . . A 463 SER C . 19526 1 1293 . 1 1 114 114 SER CA C 13 56.643 0.40 . 1 . . . A 463 SER CA . 19526 1 1294 . 1 1 114 114 SER CB C 13 65.490 0.40 . 1 . . . A 463 SER CB . 19526 1 1295 . 1 1 114 114 SER N N 15 113.745 0.40 . 1 . . . A 463 SER N . 19526 1 1296 . 1 1 115 115 SER H H 1 8.763 0.04 . 1 . . . A 464 SER H . 19526 1 1297 . 1 1 115 115 SER HA H 1 4.915 0.04 . 1 . . . A 464 SER HA . 19526 1 1298 . 1 1 115 115 SER HB2 H 1 4.166 0.04 . 2 . . . A 464 SER HB2 . 19526 1 1299 . 1 1 115 115 SER HB3 H 1 3.823 0.04 . 2 . . . A 464 SER HB3 . 19526 1 1300 . 1 1 115 115 SER C C 13 173.149 0.40 . 1 . . . A 464 SER C . 19526 1 1301 . 1 1 115 115 SER CA C 13 59.481 0.40 . 1 . . . A 464 SER CA . 19526 1 1302 . 1 1 115 115 SER CB C 13 63.716 0.40 . 1 . . . A 464 SER CB . 19526 1 1303 . 1 1 115 115 SER N N 15 120.184 0.40 . 1 . . . A 464 SER N . 19526 1 1304 . 1 1 116 116 GLN H H 1 8.197 0.04 . 1 . . . A 465 GLN H . 19526 1 1305 . 1 1 116 116 GLN HA H 1 4.516 0.04 . 1 . . . A 465 GLN HA . 19526 1 1306 . 1 1 116 116 GLN HB2 H 1 1.727 0.04 . 2 . . . A 465 GLN HB2 . 19526 1 1307 . 1 1 116 116 GLN HB3 H 1 1.440 0.04 . 2 . . . A 465 GLN HB3 . 19526 1 1308 . 1 1 116 116 GLN HG2 H 1 2.088 0.04 . 2 . . . A 465 GLN HG2 . 19526 1 1309 . 1 1 116 116 GLN HG3 H 1 2.088 0.04 . 2 . . . A 465 GLN HG3 . 19526 1 1310 . 1 1 116 116 GLN HE21 H 1 7.337 0.04 . 2 . . . A 465 GLN HE21 . 19526 1 1311 . 1 1 116 116 GLN HE22 H 1 7.337 0.04 . 2 . . . A 465 GLN HE22 . 19526 1 1312 . 1 1 116 116 GLN CA C 13 52.438 0.40 . 1 . . . A 465 GLN CA . 19526 1 1313 . 1 1 116 116 GLN CB C 13 29.992 0.40 . 1 . . . A 465 GLN CB . 19526 1 1314 . 1 1 116 116 GLN CG C 13 33.423 0.40 . 1 . . . A 465 GLN CG . 19526 1 1315 . 1 1 116 116 GLN N N 15 121.923 0.40 . 1 . . . A 465 GLN N . 19526 1 1316 . 1 1 116 116 GLN NE2 N 15 112.595 0.40 . 1 . . . A 465 GLN NE2 . 19526 1 1317 . 1 1 117 117 PRO HA H 1 3.153 0.04 . 1 . . . A 466 PRO HA . 19526 1 1318 . 1 1 117 117 PRO HB2 H 1 1.451 0.04 . 2 . . . A 466 PRO HB2 . 19526 1 1319 . 1 1 117 117 PRO HB3 H 1 1.380 0.04 . 2 . . . A 466 PRO HB3 . 19526 1 1320 . 1 1 117 117 PRO HG2 H 1 1.523 0.04 . 2 . . . A 466 PRO HG2 . 19526 1 1321 . 1 1 117 117 PRO HG3 H 1 1.116 0.04 . 2 . . . A 466 PRO HG3 . 19526 1 1322 . 1 1 117 117 PRO HD2 H 1 3.138 0.04 . 2 . . . A 466 PRO HD2 . 19526 1 1323 . 1 1 117 117 PRO HD3 H 1 2.903 0.04 . 2 . . . A 466 PRO HD3 . 19526 1 1324 . 1 1 117 117 PRO C C 13 176.898 0.40 . 1 . . . A 466 PRO C . 19526 1 1325 . 1 1 117 117 PRO CA C 13 62.110 0.40 . 1 . . . A 466 PRO CA . 19526 1 1326 . 1 1 117 117 PRO CB C 13 31.890 0.40 . 1 . . . A 466 PRO CB . 19526 1 1327 . 1 1 117 117 PRO CG C 13 26.654 0.40 . 1 . . . A 466 PRO CG . 19526 1 1328 . 1 1 117 117 PRO CD C 13 49.548 0.40 . 1 . . . A 466 PRO CD . 19526 1 1329 . 1 1 118 118 PHE H H 1 8.466 0.04 . 1 . . . A 467 PHE H . 19526 1 1330 . 1 1 118 118 PHE HA H 1 4.175 0.04 . 1 . . . A 467 PHE HA . 19526 1 1331 . 1 1 118 118 PHE HB2 H 1 3.097 0.04 . 2 . . . A 467 PHE HB2 . 19526 1 1332 . 1 1 118 118 PHE HB3 H 1 2.699 0.04 . 2 . . . A 467 PHE HB3 . 19526 1 1333 . 1 1 118 118 PHE HD1 H 1 7.084 0.04 . 3 . . . A 467 PHE HD1 . 19526 1 1334 . 1 1 118 118 PHE HE1 H 1 6.739 0.04 . 3 . . . A 467 PHE HE1 . 19526 1 1335 . 1 1 118 118 PHE C C 13 175.453 0.40 . 1 . . . A 467 PHE C . 19526 1 1336 . 1 1 118 118 PHE CA C 13 58.881 0.40 . 1 . . . A 467 PHE CA . 19526 1 1337 . 1 1 118 118 PHE CB C 13 39.737 0.40 . 1 . . . A 467 PHE CB . 19526 1 1338 . 1 1 118 118 PHE CD1 C 13 132.026 0.40 . 3 . . . A 467 PHE CD1 . 19526 1 1339 . 1 1 118 118 PHE CE1 C 13 130.676 0.40 . 3 . . . A 467 PHE CE1 . 19526 1 1340 . 1 1 118 118 PHE N N 15 120.533 0.40 . 1 . . . A 467 PHE N . 19526 1 1341 . 1 1 119 119 SER H H 1 7.733 0.04 . 1 . . . A 468 SER H . 19526 1 1342 . 1 1 119 119 SER N N 15 121.289 0.40 . 1 . . . A 468 SER N . 19526 1 stop_ save_