data_6932 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6932 _Entry.Title ; Chemical shift assignments of phosphoryl carrier domain of pyruvate phosphate dikinase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-01-06 _Entry.Accession_date 2006-01-06 _Entry.Last_release_date 2006-05-02 _Entry.Original_release_date 2006-05-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 James Ames . B. . 6932 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . CARB . 6932 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6932 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 491 6932 '15N chemical shifts' 123 6932 '1H chemical shifts' 724 6932 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 . . 2006-05-02 2006-01-06 original author . 6932 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6932 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16460017 _Citation.Full_citation . _Citation.Title ; Examination of the structure, stability, and catalytic potential in the engineered phosphoryl carrier domain of pyruvate phosphate dikinase. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 45 _Citation.Journal_issue 6 _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 1702 _Citation.Page_last 1711 _Citation.Year 2006 _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 Ying Lin . . . 6932 1 2 Jacqueline Lusin . D. . 6932 1 3 Dongmei Ye . . . 6932 1 4 Debra Dunaway-Mariano . . . 6932 1 5 James Ames . B. . 6932 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6932 _Assembly.ID 1 _Assembly.Name cent-I _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'cent-I is the phosphoryl carrier domain of pyruvate phosphate dikinase (residues 384-511)' _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 cent-I 1 $cent-I . . no native no no . . . 6932 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cent-I _Entity.Sf_category entity _Entity.Sf_framecode cent-I _Entity.Entry_ID 6932 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name cent-I _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AALKAGEVIGSALPASPGAA AGKVYFTADEAKAAHEKGER VILVRLETSPEDIEGMHAAE GILTVRGGMTSHAAVVARGM GTCCVSGCGEIKINEEAKTF ELGGHTFAEGDYISLDGSTG KIYKGDIE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'cent-I sequence begins at Ala384 and ends at Glu511' _Entity.Polymer_author_seq_details 'sequence of the central domain (cent-I) begins at Ala384 and ends at Glu511' _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1DIK . "Pyruvate Phosphate Dikinase" . . . . . 100.00 874 100.00 100.00 6.68e-78 . . . . 6932 1 2 no PDB 1GGO . "T453a Mutant Of Pyruvate, Phosphate Dikinase" . . . . . 100.00 873 99.22 99.22 5.09e-77 . . . . 6932 1 3 no PDB 1JDE . "K22a Mutant Of Pyruvate, Phosphate Dikinase" . . . . . 100.00 873 100.00 100.00 8.02e-78 . . . . 6932 1 4 no PDB 1KBL . "Pyruvate Phosphate Dikinase" . . . . . 100.00 873 100.00 100.00 6.60e-78 . . . . 6932 1 5 no PDB 1KC7 . "Pyruvate Phosphate Dikinase With Bound Mg-Phosphonopyruvate" . . . . . 100.00 873 100.00 100.00 6.60e-78 . . . . 6932 1 6 no PDB 2DIK . "R337a Mutant Of Pyruvate Phosphate Dikinase" . . . . . 100.00 873 100.00 100.00 7.78e-78 . . . . 6932 1 7 no PDB 2FM4 . "Nmr Structure Of The Phosphoryl Carrier Domain Of Pyruvate Phosphate Dikinase" . . . . . 100.00 128 100.00 100.00 8.48e-84 . . . . 6932 1 8 no PDB 2R82 . "Pyruvate Phosphate Dikinase (Ppdk) Triple Mutant R219eE271RS262D Adapts A Second Conformational State" . . . . . 100.00 874 100.00 100.00 7.24e-78 . . . . 6932 1 9 no GB AAA22917 . "pyruvate phosphate dikinase [ [[Clostridium] symbiosum]" . . . . . 100.00 840 100.00 100.00 4.87e-78 . . . . 6932 1 10 no GB EGA95273 . "pyruvate [ [[Clostridium] symbiosum WAL-14163]" . . . . . 100.00 874 100.00 100.00 6.74e-78 . . . . 6932 1 11 no GB EGB19009 . "pyruvate, phosphate dikinase [ [[Clostridium] symbiosum WAL-14673]" . . . . . 100.00 874 100.00 100.00 6.74e-78 . . . . 6932 1 12 no GB EHF07270 . "pyruvate, phosphate dikinase [Clostridium sp. 7_3_54FAA]" . . . . . 100.00 874 100.00 100.00 6.74e-78 . . . . 6932 1 13 no GB ERI77319 . "pyruvate, phosphate dikinase [ [[Clostridium] symbiosum ATCC 14940]" . . . . . 100.00 874 100.00 100.00 6.74e-78 . . . . 6932 1 14 no REF WP_003498777 . "MULTISPECIES: pyruvate phosphate dikinase [Clostridiales]" . . . . . 100.00 874 100.00 100.00 6.74e-78 . . . . 6932 1 15 no SP P22983 . "RecName: Full=Pyruvate, phosphate dikinase; AltName: Full=Pyruvate, orthophosphate dikinase [[Clostridium] symbiosum]" . . . . . 100.00 874 100.00 100.00 6.68e-78 . . . . 6932 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 1 384 ALA . 6932 1 2 385 ALA . 6932 1 3 386 LEU . 6932 1 4 387 LYS . 6932 1 5 388 ALA . 6932 1 6 389 GLY . 6932 1 7 390 GLU . 6932 1 8 391 VAL . 6932 1 9 392 ILE . 6932 1 10 393 GLY . 6932 1 11 394 SER . 6932 1 12 395 ALA . 6932 1 13 396 LEU . 6932 1 14 397 PRO . 6932 1 15 398 ALA . 6932 1 16 399 SER . 6932 1 17 400 PRO . 6932 1 18 401 GLY . 6932 1 19 402 ALA . 6932 1 20 403 ALA . 6932 1 21 404 ALA . 6932 1 22 405 GLY . 6932 1 23 406 LYS . 6932 1 24 407 VAL . 6932 1 25 408 TYR . 6932 1 26 409 PHE . 6932 1 27 410 THR . 6932 1 28 411 ALA . 6932 1 29 412 ASP . 6932 1 30 413 GLU . 6932 1 31 414 ALA . 6932 1 32 415 LYS . 6932 1 33 416 ALA . 6932 1 34 417 ALA . 6932 1 35 418 HIS . 6932 1 36 419 GLU . 6932 1 37 420 LYS . 6932 1 38 421 GLY . 6932 1 39 422 GLU . 6932 1 40 423 ARG . 6932 1 41 424 VAL . 6932 1 42 425 ILE . 6932 1 43 426 LEU . 6932 1 44 427 VAL . 6932 1 45 428 ARG . 6932 1 46 429 LEU . 6932 1 47 430 GLU . 6932 1 48 431 THR . 6932 1 49 432 SER . 6932 1 50 433 PRO . 6932 1 51 434 GLU . 6932 1 52 435 ASP . 6932 1 53 436 ILE . 6932 1 54 437 GLU . 6932 1 55 438 GLY . 6932 1 56 439 MET . 6932 1 57 440 HIS . 6932 1 58 441 ALA . 6932 1 59 442 ALA . 6932 1 60 443 GLU . 6932 1 61 444 GLY . 6932 1 62 445 ILE . 6932 1 63 446 LEU . 6932 1 64 447 THR . 6932 1 65 448 VAL . 6932 1 66 449 ARG . 6932 1 67 450 GLY . 6932 1 68 451 GLY . 6932 1 69 452 MET . 6932 1 70 453 THR . 6932 1 71 454 SER . 6932 1 72 455 HIS . 6932 1 73 456 ALA . 6932 1 74 457 ALA . 6932 1 75 458 VAL . 6932 1 76 459 VAL . 6932 1 77 460 ALA . 6932 1 78 461 ARG . 6932 1 79 462 GLY . 6932 1 80 463 MET . 6932 1 81 464 GLY . 6932 1 82 465 THR . 6932 1 83 466 CYS . 6932 1 84 467 CYS . 6932 1 85 468 VAL . 6932 1 86 469 SER . 6932 1 87 470 GLY . 6932 1 88 471 CYS . 6932 1 89 472 GLY . 6932 1 90 473 GLU . 6932 1 91 474 ILE . 6932 1 92 475 LYS . 6932 1 93 476 ILE . 6932 1 94 477 ASN . 6932 1 95 478 GLU . 6932 1 96 479 GLU . 6932 1 97 480 ALA . 6932 1 98 481 LYS . 6932 1 99 482 THR . 6932 1 100 483 PHE . 6932 1 101 484 GLU . 6932 1 102 485 LEU . 6932 1 103 486 GLY . 6932 1 104 487 GLY . 6932 1 105 488 HIS . 6932 1 106 489 THR . 6932 1 107 490 PHE . 6932 1 108 491 ALA . 6932 1 109 492 GLU . 6932 1 110 493 GLY . 6932 1 111 494 ASP . 6932 1 112 495 TYR . 6932 1 113 496 ILE . 6932 1 114 497 SER . 6932 1 115 498 LEU . 6932 1 116 499 ASP . 6932 1 117 500 GLY . 6932 1 118 501 SER . 6932 1 119 502 THR . 6932 1 120 503 GLY . 6932 1 121 504 LYS . 6932 1 122 505 ILE . 6932 1 123 506 TYR . 6932 1 124 507 LYS . 6932 1 125 508 GLY . 6932 1 126 509 ASP . 6932 1 127 510 ILE . 6932 1 128 511 GLU . 6932 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 . ALA 1 1 6932 1 . ALA 2 2 6932 1 . LEU 3 3 6932 1 . LYS 4 4 6932 1 . ALA 5 5 6932 1 . GLY 6 6 6932 1 . GLU 7 7 6932 1 . VAL 8 8 6932 1 . ILE 9 9 6932 1 . GLY 10 10 6932 1 . SER 11 11 6932 1 . ALA 12 12 6932 1 . LEU 13 13 6932 1 . PRO 14 14 6932 1 . ALA 15 15 6932 1 . SER 16 16 6932 1 . PRO 17 17 6932 1 . GLY 18 18 6932 1 . ALA 19 19 6932 1 . ALA 20 20 6932 1 . ALA 21 21 6932 1 . GLY 22 22 6932 1 . LYS 23 23 6932 1 . VAL 24 24 6932 1 . TYR 25 25 6932 1 . PHE 26 26 6932 1 . THR 27 27 6932 1 . ALA 28 28 6932 1 . ASP 29 29 6932 1 . GLU 30 30 6932 1 . ALA 31 31 6932 1 . LYS 32 32 6932 1 . ALA 33 33 6932 1 . ALA 34 34 6932 1 . HIS 35 35 6932 1 . GLU 36 36 6932 1 . LYS 37 37 6932 1 . GLY 38 38 6932 1 . GLU 39 39 6932 1 . ARG 40 40 6932 1 . VAL 41 41 6932 1 . ILE 42 42 6932 1 . LEU 43 43 6932 1 . VAL 44 44 6932 1 . ARG 45 45 6932 1 . LEU 46 46 6932 1 . GLU 47 47 6932 1 . THR 48 48 6932 1 . SER 49 49 6932 1 . PRO 50 50 6932 1 . GLU 51 51 6932 1 . ASP 52 52 6932 1 . ILE 53 53 6932 1 . GLU 54 54 6932 1 . GLY 55 55 6932 1 . MET 56 56 6932 1 . HIS 57 57 6932 1 . ALA 58 58 6932 1 . ALA 59 59 6932 1 . GLU 60 60 6932 1 . GLY 61 61 6932 1 . ILE 62 62 6932 1 . LEU 63 63 6932 1 . THR 64 64 6932 1 . VAL 65 65 6932 1 . ARG 66 66 6932 1 . GLY 67 67 6932 1 . GLY 68 68 6932 1 . MET 69 69 6932 1 . THR 70 70 6932 1 . SER 71 71 6932 1 . HIS 72 72 6932 1 . ALA 73 73 6932 1 . ALA 74 74 6932 1 . VAL 75 75 6932 1 . VAL 76 76 6932 1 . ALA 77 77 6932 1 . ARG 78 78 6932 1 . GLY 79 79 6932 1 . MET 80 80 6932 1 . GLY 81 81 6932 1 . THR 82 82 6932 1 . CYS 83 83 6932 1 . CYS 84 84 6932 1 . VAL 85 85 6932 1 . SER 86 86 6932 1 . GLY 87 87 6932 1 . CYS 88 88 6932 1 . GLY 89 89 6932 1 . GLU 90 90 6932 1 . ILE 91 91 6932 1 . LYS 92 92 6932 1 . ILE 93 93 6932 1 . ASN 94 94 6932 1 . GLU 95 95 6932 1 . GLU 96 96 6932 1 . ALA 97 97 6932 1 . LYS 98 98 6932 1 . THR 99 99 6932 1 . PHE 100 100 6932 1 . GLU 101 101 6932 1 . LEU 102 102 6932 1 . GLY 103 103 6932 1 . GLY 104 104 6932 1 . HIS 105 105 6932 1 . THR 106 106 6932 1 . PHE 107 107 6932 1 . ALA 108 108 6932 1 . GLU 109 109 6932 1 . GLY 110 110 6932 1 . ASP 111 111 6932 1 . TYR 112 112 6932 1 . ILE 113 113 6932 1 . SER 114 114 6932 1 . LEU 115 115 6932 1 . ASP 116 116 6932 1 . GLY 117 117 6932 1 . SER 118 118 6932 1 . THR 119 119 6932 1 . GLY 120 120 6932 1 . LYS 121 121 6932 1 . ILE 122 122 6932 1 . TYR 123 123 6932 1 . LYS 124 124 6932 1 . GLY 125 125 6932 1 . ASP 126 126 6932 1 . ILE 127 127 6932 1 . GLU 128 128 6932 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 6932 _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 $cent-I . 1512 organism . 'Clostridium symbiosum' 'C. symbiosum' . . Bacteria . Clostridium symbiosum . . . . . . . . . . . . . . . . . . . . . 6932 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 6932 _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 $cent-I . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6932 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6932 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 cent-I '[U-13C; U-15N]' . . 1 $cent-I . . 1.0 . . mM . . . . 6932 1 2 KCL . . . . . . . 50 . . mM . . . . 6932 1 3 'potassium phosphate' . . . . . . . 20 . . mM . . . . 6932 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6932 _Sample_condition_list.ID 1 _Sample_condition_list.Details '1.0 mM cent-I, 50 mM KCl and 20 mM potassium phosphate' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.07 0.001 M 6932 1 pH 7.0 0.1 pH 6932 1 temperature 298 0.2 K 6932 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6932 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance DRX' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6932 _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 HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6932 1 2 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6932 1 3 HNCOCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6932 1 4 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6932 1 5 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6932 1 6 CBCACONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6932 1 7 HBHACONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6932 1 8 HCC-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6932 1 9 CCONH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6932 1 10 HCCONH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6932 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6932 _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 protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 6932 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6932 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 6932 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6932 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6932 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA H H 1 8.13 0.02 . 1 . . . . 384 ALA H . 6932 1 2 . 1 1 1 1 ALA HA H 1 4.16 0.02 . 1 . . . . 384 ALA HA . 6932 1 3 . 1 1 1 1 ALA HB1 H 1 1.36 0.02 . 1 . . . . 384 ALA HB . 6932 1 4 . 1 1 1 1 ALA HB2 H 1 1.36 0.02 . 1 . . . . 384 ALA HB . 6932 1 5 . 1 1 1 1 ALA HB3 H 1 1.36 0.02 . 1 . . . . 384 ALA HB . 6932 1 6 . 1 1 1 1 ALA C C 13 178.38 0.1 . 1 . . . . 384 ALA C . 6932 1 7 . 1 1 1 1 ALA CA C 13 53.38 0.1 . 1 . . . . 384 ALA CA . 6932 1 8 . 1 1 1 1 ALA CB C 13 18.65 0.1 . 1 . . . . 384 ALA CB . 6932 1 9 . 1 1 1 1 ALA N N 15 121.88 0.1 . 1 . . . . 384 ALA N . 6932 1 10 . 1 1 2 2 ALA H H 1 7.86 0.02 . 1 . . . . 385 ALA H . 6932 1 11 . 1 1 2 2 ALA HA H 1 4.19 0.02 . 1 . . . . 385 ALA HA . 6932 1 12 . 1 1 2 2 ALA HB1 H 1 1.36 0.02 . 1 . . . . 385 ALA HB . 6932 1 13 . 1 1 2 2 ALA HB2 H 1 1.36 0.02 . 1 . . . . 385 ALA HB . 6932 1 14 . 1 1 2 2 ALA HB3 H 1 1.36 0.02 . 1 . . . . 385 ALA HB . 6932 1 15 . 1 1 2 2 ALA C C 13 178.33 0.1 . 1 . . . . 385 ALA C . 6932 1 16 . 1 1 2 2 ALA CA C 13 52.89 0.1 . 1 . . . . 385 ALA CA . 6932 1 17 . 1 1 2 2 ALA CB C 13 19.14 0.1 . 1 . . . . 385 ALA CB . 6932 1 18 . 1 1 2 2 ALA N N 15 122.16 0.1 . 1 . . . . 385 ALA N . 6932 1 19 . 1 1 3 3 LEU H H 1 7.69 0.02 . 1 . . . . 386 LEU H . 6932 1 20 . 1 1 3 3 LEU HA H 1 4.01 0.02 . 1 . . . . 386 LEU HA . 6932 1 21 . 1 1 3 3 LEU HB2 H 1 1.38 0.02 . 2 . . . . 386 LEU HB2 . 6932 1 22 . 1 1 3 3 LEU HB3 H 1 1.55 0.02 . 2 . . . . 386 LEU HB3 . 6932 1 23 . 1 1 3 3 LEU HG H 1 1.45 0.02 . 1 . . . . 386 LEU HG . 6932 1 24 . 1 1 3 3 LEU HD11 H 1 0.75 0.02 . 2 . . . . 386 LEU HD1 . 6932 1 25 . 1 1 3 3 LEU HD12 H 1 0.75 0.02 . 2 . . . . 386 LEU HD1 . 6932 1 26 . 1 1 3 3 LEU HD13 H 1 0.75 0.02 . 2 . . . . 386 LEU HD1 . 6932 1 27 . 1 1 3 3 LEU HD21 H 1 0.64 0.02 . 2 . . . . 386 LEU HD2 . 6932 1 28 . 1 1 3 3 LEU HD22 H 1 0.64 0.02 . 2 . . . . 386 LEU HD2 . 6932 1 29 . 1 1 3 3 LEU HD23 H 1 0.64 0.02 . 2 . . . . 386 LEU HD2 . 6932 1 30 . 1 1 3 3 LEU C C 13 177.80 0.1 . 1 . . . . 386 LEU C . 6932 1 31 . 1 1 3 3 LEU CA C 13 55.90 0.1 . 1 . . . . 386 LEU CA . 6932 1 32 . 1 1 3 3 LEU CB C 13 42.04 0.1 . 1 . . . . 386 LEU CB . 6932 1 33 . 1 1 3 3 LEU CG C 13 27.31 0.1 . 1 . . . . 386 LEU CG . 6932 1 34 . 1 1 3 3 LEU CD1 C 13 24.89 0.1 . 1 . . . . 386 LEU CD1 . 6932 1 35 . 1 1 3 3 LEU CD2 C 13 23.83 0.1 . 1 . . . . 386 LEU CD2 . 6932 1 36 . 1 1 3 3 LEU N N 15 119.88 0.1 . 1 . . . . 386 LEU N . 6932 1 37 . 1 1 4 4 LYS H H 1 8.00 0.02 . 1 . . . . 387 LYS H . 6932 1 38 . 1 1 4 4 LYS HA H 1 4.19 0.02 . 1 . . . . 387 LYS HA . 6932 1 39 . 1 1 4 4 LYS HB2 H 1 1.71 0.02 . 2 . . . . 387 LYS HB2 . 6932 1 40 . 1 1 4 4 LYS HB3 H 1 1.78 0.02 . 2 . . . . 387 LYS HB3 . 6932 1 41 . 1 1 4 4 LYS HG2 H 1 1.39 0.02 . 2 . . . . 387 LYS HG2 . 6932 1 42 . 1 1 4 4 LYS HE2 H 1 2.92 0.02 . 2 . . . . 387 LYS HE2 . 6932 1 43 . 1 1 4 4 LYS C C 13 176.41 0.1 . 1 . . . . 387 LYS C . 6932 1 44 . 1 1 4 4 LYS CA C 13 56.83 0.1 . 1 . . . . 387 LYS CA . 6932 1 45 . 1 1 4 4 LYS CB C 13 32.76 0.1 . 1 . . . . 387 LYS CB . 6932 1 46 . 1 1 4 4 LYS CG C 13 24.89 0.1 . 1 . . . . 387 LYS CG . 6932 1 47 . 1 1 4 4 LYS CD C 13 28.90 0.1 . 1 . . . . 387 LYS CD . 6932 1 48 . 1 1 4 4 LYS CE C 13 42.11 0.1 . 1 . . . . 387 LYS CE . 6932 1 49 . 1 1 4 4 LYS N N 15 120.85 0.1 . 1 . . . . 387 LYS N . 6932 1 50 . 1 1 5 5 ALA H H 1 7.86 0.02 . 1 . . . . 388 ALA H . 6932 1 51 . 1 1 5 5 ALA HA H 1 4.35 0.02 . 1 . . . . 388 ALA HA . 6932 1 52 . 1 1 5 5 ALA HB1 H 1 1.31 0.02 . 1 . . . . 388 ALA HB . 6932 1 53 . 1 1 5 5 ALA HB2 H 1 1.31 0.02 . 1 . . . . 388 ALA HB . 6932 1 54 . 1 1 5 5 ALA HB3 H 1 1.31 0.02 . 1 . . . . 388 ALA HB . 6932 1 55 . 1 1 5 5 ALA C C 13 177.83 0.1 . 1 . . . . 388 ALA C . 6932 1 56 . 1 1 5 5 ALA CA C 13 52.37 0.1 . 1 . . . . 388 ALA CA . 6932 1 57 . 1 1 5 5 ALA CB C 13 19.26 0.1 . 1 . . . . 388 ALA CB . 6932 1 58 . 1 1 5 5 ALA N N 15 123.14 0.1 . 1 . . . . 388 ALA N . 6932 1 59 . 1 1 6 6 GLY H H 1 7.99 0.02 . 1 . . . . 389 GLY H . 6932 1 60 . 1 1 6 6 GLY HA2 H 1 3.74 0.02 . 2 . . . . 389 GLY HA2 . 6932 1 61 . 1 1 6 6 GLY HA3 H 1 4.09 0.02 . 2 . . . . 389 GLY HA3 . 6932 1 62 . 1 1 6 6 GLY C C 13 172.98 0.1 . 1 . . . . 389 GLY C . 6932 1 63 . 1 1 6 6 GLY CA C 13 45.21 0.1 . 1 . . . . 389 GLY CA . 6932 1 64 . 1 1 6 6 GLY N N 15 107.48 0.1 . 1 . . . . 389 GLY N . 6932 1 65 . 1 1 7 7 GLU H H 1 8.77 0.02 . 1 . . . . 390 GLU H . 6932 1 66 . 1 1 7 7 GLU HA H 1 4.46 0.02 . 1 . . . . 390 GLU HA . 6932 1 67 . 1 1 7 7 GLU HB2 H 1 2.03 0.02 . 2 . . . . 390 GLU HB2 . 6932 1 68 . 1 1 7 7 GLU HB3 H 1 2.11 0.02 . 2 . . . . 390 GLU HB3 . 6932 1 69 . 1 1 7 7 GLU HG2 H 1 2.30 0.02 . 2 . . . . 390 GLU HG2 . 6932 1 70 . 1 1 7 7 GLU C C 13 175.12 0.1 . 1 . . . . 390 GLU C . 6932 1 71 . 1 1 7 7 GLU CA C 13 55.70 0.1 . 1 . . . . 390 GLU CA . 6932 1 72 . 1 1 7 7 GLU CB C 13 30.61 0.1 . 1 . . . . 390 GLU CB . 6932 1 73 . 1 1 7 7 GLU CG C 13 30.73 0.1 . 1 . . . . 390 GLU CG . 6932 1 74 . 1 1 7 7 GLU N N 15 122.34 0.1 . 1 . . . . 390 GLU N . 6932 1 75 . 1 1 8 8 VAL H H 1 8.39 0.02 . 1 . . . . 391 VAL H . 6932 1 76 . 1 1 8 8 VAL HA H 1 3.78 0.02 . 1 . . . . 391 VAL HA . 6932 1 77 . 1 1 8 8 VAL HB H 1 1.93 0.02 . 1 . . . . 391 VAL HB . 6932 1 78 . 1 1 8 8 VAL HG11 H 1 0.77 0.02 . 2 . . . . 391 VAL HG1 . 6932 1 79 . 1 1 8 8 VAL HG12 H 1 0.77 0.02 . 2 . . . . 391 VAL HG1 . 6932 1 80 . 1 1 8 8 VAL HG13 H 1 0.77 0.02 . 2 . . . . 391 VAL HG1 . 6932 1 81 . 1 1 8 8 VAL HG21 H 1 0.79 0.02 . 2 . . . . 391 VAL HG2 . 6932 1 82 . 1 1 8 8 VAL HG22 H 1 0.79 0.02 . 2 . . . . 391 VAL HG2 . 6932 1 83 . 1 1 8 8 VAL HG23 H 1 0.79 0.02 . 2 . . . . 391 VAL HG2 . 6932 1 84 . 1 1 8 8 VAL C C 13 177.42 0.1 . 1 . . . . 391 VAL C . 6932 1 85 . 1 1 8 8 VAL CA C 13 63.10 0.1 . 1 . . . . 391 VAL CA . 6932 1 86 . 1 1 8 8 VAL CB C 13 32.11 0.1 . 1 . . . . 391 VAL CB . 6932 1 87 . 1 1 8 8 VAL CG1 C 13 23.10 0.1 . 1 . . . . 391 VAL CG1 . 6932 1 88 . 1 1 8 8 VAL CG2 C 13 21.48 0.1 . 1 . . . . 391 VAL CG2 . 6932 1 89 . 1 1 8 8 VAL N N 15 127.19 0.1 . 1 . . . . 391 VAL N . 6932 1 90 . 1 1 9 9 ILE H H 1 9.02 0.02 . 1 . . . . 392 ILE H . 6932 1 91 . 1 1 9 9 ILE HA H 1 4.77 0.02 . 1 . . . . 392 ILE HA . 6932 1 92 . 1 1 9 9 ILE HB H 1 2.07 0.02 . 1 . . . . 392 ILE HB . 6932 1 93 . 1 1 9 9 ILE HG12 H 1 0.99 0.02 . 2 . . . . 392 ILE HG12 . 6932 1 94 . 1 1 9 9 ILE HG21 H 1 0.91 0.02 . 1 . . . . 392 ILE HG2 . 6932 1 95 . 1 1 9 9 ILE HG22 H 1 0.91 0.02 . 1 . . . . 392 ILE HG2 . 6932 1 96 . 1 1 9 9 ILE HG23 H 1 0.91 0.02 . 1 . . . . 392 ILE HG2 . 6932 1 97 . 1 1 9 9 ILE HD11 H 1 0.79 0.02 . 1 . . . . 392 ILE HD1 . 6932 1 98 . 1 1 9 9 ILE HD12 H 1 0.79 0.02 . 1 . . . . 392 ILE HD1 . 6932 1 99 . 1 1 9 9 ILE HD13 H 1 0.79 0.02 . 1 . . . . 392 ILE HD1 . 6932 1 100 . 1 1 9 9 ILE C C 13 174.80 0.1 . 1 . . . . 392 ILE C . 6932 1 101 . 1 1 9 9 ILE CA C 13 60.83 0.1 . 1 . . . . 392 ILE CA . 6932 1 102 . 1 1 9 9 ILE CB C 13 39.88 0.1 . 1 . . . . 392 ILE CB . 6932 1 103 . 1 1 9 9 ILE CG1 C 13 26.42 0.1 . 1 . . . . 392 ILE CG1 . 6932 1 104 . 1 1 9 9 ILE CG2 C 13 19.04 0.1 . 1 . . . . 392 ILE CG2 . 6932 1 105 . 1 1 9 9 ILE CD1 C 13 15.64 0.1 . 1 . . . . 392 ILE CD1 . 6932 1 106 . 1 1 9 9 ILE N N 15 121.94 0.1 . 1 . . . . 392 ILE N . 6932 1 107 . 1 1 10 10 GLY H H 1 7.53 0.02 . 1 . . . . 393 GLY H . 6932 1 108 . 1 1 10 10 GLY HA2 H 1 4.09 0.02 . 2 . . . . 393 GLY HA2 . 6932 1 109 . 1 1 10 10 GLY HA3 H 1 3.71 0.02 . 2 . . . . 393 GLY HA3 . 6932 1 110 . 1 1 10 10 GLY C C 13 169.91 0.1 . 1 . . . . 393 GLY C . 6932 1 111 . 1 1 10 10 GLY CA C 13 45.34 0.1 . 1 . . . . 393 GLY CA . 6932 1 112 . 1 1 10 10 GLY N N 15 107.85 0.1 . 1 . . . . 393 GLY N . 6932 1 113 . 1 1 11 11 SER H H 1 8.46 0.02 . 1 . . . . 394 SER H . 6932 1 114 . 1 1 11 11 SER HA H 1 5.15 0.02 . 1 . . . . 394 SER HA . 6932 1 115 . 1 1 11 11 SER HB2 H 1 3.68 0.02 . 2 . . . . 394 SER HB2 . 6932 1 116 . 1 1 11 11 SER HB3 H 1 3.77 0.02 . 2 . . . . 394 SER HB3 . 6932 1 117 . 1 1 11 11 SER C C 13 172.97 0.1 . 1 . . . . 394 SER C . 6932 1 118 . 1 1 11 11 SER CA C 13 57.44 0.1 . 1 . . . . 394 SER CA . 6932 1 119 . 1 1 11 11 SER CB C 13 65.49 0.1 . 1 . . . . 394 SER CB . 6932 1 120 . 1 1 11 11 SER N N 15 112.42 0.1 . 1 . . . . 394 SER N . 6932 1 121 . 1 1 12 12 ALA H H 1 9.19 0.02 . 1 . . . . 395 ALA H . 6932 1 122 . 1 1 12 12 ALA HA H 1 4.54 0.02 . 1 . . . . 395 ALA HA . 6932 1 123 . 1 1 12 12 ALA HB1 H 1 1.24 0.02 . 1 . . . . 395 ALA HB . 6932 1 124 . 1 1 12 12 ALA HB2 H 1 1.24 0.02 . 1 . . . . 395 ALA HB . 6932 1 125 . 1 1 12 12 ALA HB3 H 1 1.24 0.02 . 1 . . . . 395 ALA HB . 6932 1 126 . 1 1 12 12 ALA C C 13 175.35 0.1 . 1 . . . . 395 ALA C . 6932 1 127 . 1 1 12 12 ALA CA C 13 51.76 0.1 . 1 . . . . 395 ALA CA . 6932 1 128 . 1 1 12 12 ALA CB C 13 18.70 0.1 . 1 . . . . 395 ALA CB . 6932 1 129 . 1 1 12 12 ALA N N 15 128.22 0.1 . 1 . . . . 395 ALA N . 6932 1 130 . 1 1 13 13 LEU H H 1 8.52 0.02 . 1 . . . . 396 LEU H . 6932 1 131 . 1 1 13 13 LEU HA H 1 4.68 0.02 . 1 . . . . 396 LEU HA . 6932 1 132 . 1 1 13 13 LEU HB2 H 1 1.33 0.02 . 2 . . . . 396 LEU HB2 . 6932 1 133 . 1 1 13 13 LEU HB3 H 1 1.94 0.02 . 2 . . . . 396 LEU HB3 . 6932 1 134 . 1 1 13 13 LEU HG H 1 1.72 0.2 . 1 . . . . 396 LEU HG . 6932 1 135 . 1 1 13 13 LEU HD11 H 1 0.92 0.02 . 2 . . . . 396 LEU HD1 . 6932 1 136 . 1 1 13 13 LEU HD12 H 1 0.92 0.02 . 2 . . . . 396 LEU HD1 . 6932 1 137 . 1 1 13 13 LEU HD13 H 1 0.92 0.02 . 2 . . . . 396 LEU HD1 . 6932 1 138 . 1 1 13 13 LEU HD21 H 1 0.92 0.02 . 2 . . . . 396 LEU HD2 . 6932 1 139 . 1 1 13 13 LEU HD22 H 1 0.92 0.02 . 2 . . . . 396 LEU HD2 . 6932 1 140 . 1 1 13 13 LEU HD23 H 1 0.92 0.02 . 2 . . . . 396 LEU HD2 . 6932 1 141 . 1 1 13 13 LEU CA C 13 53.87 0.1 . 1 . . . . 396 LEU CA . 6932 1 142 . 1 1 13 13 LEU CB C 13 41.81 0.1 . 1 . . . . 396 LEU CB . 6932 1 143 . 1 1 13 13 LEU CD1 C 13 26.20 0.1 . 1 . . . . 396 LEU CD1 . 6932 1 144 . 1 1 13 13 LEU N N 15 122.38 0.1 . 1 . . . . 396 LEU N . 6932 1 145 . 1 1 14 14 PRO HA H 1 4.57 0.02 . 1 . . . . 397 PRO HA . 6932 1 146 . 1 1 14 14 PRO HB2 H 1 1.23 0.02 . 2 . . . . 397 PRO HB2 . 6932 1 147 . 1 1 14 14 PRO HB3 H 1 2.26 0.02 . 2 . . . . 397 PRO HB3 . 6932 1 148 . 1 1 14 14 PRO HG2 H 1 1.89 0.02 . 2 . . . . 397 PRO HG2 . 6932 1 149 . 1 1 14 14 PRO HD2 H 1 3.61 0.02 . 2 . . . . 397 PRO HD2 . 6932 1 150 . 1 1 14 14 PRO HD3 H 1 3.89 0.02 . 2 . . . . 397 PRO HD3 . 6932 1 151 . 1 1 14 14 PRO C C 13 174.28 0.1 . 1 . . . . 397 PRO C . 6932 1 152 . 1 1 14 14 PRO CA C 13 61.40 0.1 . 1 . . . . 397 PRO CA . 6932 1 153 . 1 1 14 14 PRO CB C 13 29.56 0.1 . 1 . . . . 397 PRO CB . 6932 1 154 . 1 1 14 14 PRO CG C 13 26.94 0.1 . 1 . . . . 397 PRO CG . 6932 1 155 . 1 1 14 14 PRO CD C 13 50.54 0.1 . 1 . . . . 397 PRO CD . 6932 1 156 . 1 1 15 15 ALA H H 1 7.94 0.02 . 1 . . . . 398 ALA H . 6932 1 157 . 1 1 15 15 ALA HA H 1 4.14 0.02 . 1 . . . . 398 ALA HA . 6932 1 158 . 1 1 15 15 ALA HB1 H 1 1.18 0.02 . 1 . . . . 398 ALA HB . 6932 1 159 . 1 1 15 15 ALA HB2 H 1 1.18 0.02 . 1 . . . . 398 ALA HB . 6932 1 160 . 1 1 15 15 ALA HB3 H 1 1.18 0.02 . 1 . . . . 398 ALA HB . 6932 1 161 . 1 1 15 15 ALA C C 13 177.77 0.1 . 1 . . . . 398 ALA C . 6932 1 162 . 1 1 15 15 ALA CA C 13 54.62 0.1 . 1 . . . . 398 ALA CA . 6932 1 163 . 1 1 15 15 ALA CB C 13 20.31 0.1 . 1 . . . . 398 ALA CB . 6932 1 164 . 1 1 15 15 ALA N N 15 128.69 0.1 . 1 . . . . 398 ALA N . 6932 1 165 . 1 1 16 16 SER H H 1 7.92 0.02 . 1 . . . . 399 SER H . 6932 1 166 . 1 1 16 16 SER HA H 1 4.86 0.02 . 1 . . . . 399 SER HA . 6932 1 167 . 1 1 16 16 SER HB2 H 1 3.45 0.02 . 2 . . . . 399 SER HB2 . 6932 1 168 . 1 1 16 16 SER HB3 H 1 4.01 0.02 . 2 . . . . 399 SER HB3 . 6932 1 169 . 1 1 16 16 SER CA C 13 54.60 0.1 . 1 . . . . 399 SER CA . 6932 1 170 . 1 1 16 16 SER CB C 13 65.08 0.1 . 1 . . . . 399 SER CB . 6932 1 171 . 1 1 16 16 SER N N 15 111.59 0.1 . 1 . . . . 399 SER N . 6932 1 172 . 1 1 17 17 PRO HA H 1 3.86 0.02 . 1 . . . . 400 PRO HA . 6932 1 173 . 1 1 17 17 PRO HB2 H 1 1.91 0.02 . 2 . . . . 400 PRO HB2 . 6932 1 174 . 1 1 17 17 PRO HB3 H 1 2.25 0.02 . 2 . . . . 400 PRO HB3 . 6932 1 175 . 1 1 17 17 PRO HG2 H 1 1.91 0.02 . 2 . . . . 400 PRO HG2 . 6932 1 176 . 1 1 17 17 PRO HD2 H 1 3.65 0.02 . 2 . . . . 400 PRO HD2 . 6932 1 177 . 1 1 17 17 PRO HD3 H 1 3.76 0.02 . 2 . . . . 400 PRO HD3 . 6932 1 178 . 1 1 17 17 PRO C C 13 175.51 0.1 . 1 . . . . 400 PRO C . 6932 1 179 . 1 1 17 17 PRO CA C 13 63.21 0.1 . 1 . . . . 400 PRO CA . 6932 1 180 . 1 1 17 17 PRO CB C 13 33.54 0.1 . 1 . . . . 400 PRO CB . 6932 1 181 . 1 1 17 17 PRO CG C 13 26.93 0.1 . 1 . . . . 400 PRO CG . 6932 1 182 . 1 1 17 17 PRO CD C 13 51.77 0.1 . 1 . . . . 400 PRO CD . 6932 1 183 . 1 1 18 18 GLY H H 1 7.09 0.02 . 1 . . . . 401 GLY H . 6932 1 184 . 1 1 18 18 GLY HA2 H 1 3.65 0.02 . 2 . . . . 401 GLY HA2 . 6932 1 185 . 1 1 18 18 GLY HA3 H 1 4.47 0.02 . 2 . . . . 401 GLY HA3 . 6932 1 186 . 1 1 18 18 GLY C C 13 171.82 0.1 . 1 . . . . 401 GLY C . 6932 1 187 . 1 1 18 18 GLY CA C 13 43.79 0.1 . 1 . . . . 401 GLY CA . 6932 1 188 . 1 1 18 18 GLY N N 15 106.38 0.1 . 1 . . . . 401 GLY N . 6932 1 189 . 1 1 19 19 ALA H H 1 8.41 0.02 . 1 . . . . 402 ALA H . 6932 1 190 . 1 1 19 19 ALA HA H 1 5.38 0.02 . 1 . . . . 402 ALA HA . 6932 1 191 . 1 1 19 19 ALA HB1 H 1 1.38 0.02 . 1 . . . . 402 ALA HB . 6932 1 192 . 1 1 19 19 ALA HB2 H 1 1.38 0.02 . 1 . . . . 402 ALA HB . 6932 1 193 . 1 1 19 19 ALA HB3 H 1 1.38 0.02 . 1 . . . . 402 ALA HB . 6932 1 194 . 1 1 19 19 ALA C C 13 176.43 0.1 . 1 . . . . 402 ALA C . 6932 1 195 . 1 1 19 19 ALA CA C 13 51.21 0.1 . 1 . . . . 402 ALA CA . 6932 1 196 . 1 1 19 19 ALA CB C 13 21.11 0.1 . 1 . . . . 402 ALA CB . 6932 1 197 . 1 1 19 19 ALA N N 15 123.64 0.1 . 1 . . . . 402 ALA N . 6932 1 198 . 1 1 20 20 ALA H H 1 8.70 0.02 . 1 . . . . 403 ALA H . 6932 1 199 . 1 1 20 20 ALA HA H 1 4.82 0.02 . 1 . . . . 403 ALA HA . 6932 1 200 . 1 1 20 20 ALA HB1 H 1 1.21 0.02 . 1 . . . . 403 ALA HB . 6932 1 201 . 1 1 20 20 ALA HB2 H 1 1.21 0.02 . 1 . . . . 403 ALA HB . 6932 1 202 . 1 1 20 20 ALA HB3 H 1 1.21 0.02 . 1 . . . . 403 ALA HB . 6932 1 203 . 1 1 20 20 ALA C C 13 174.48 0.1 . 1 . . . . 403 ALA C . 6932 1 204 . 1 1 20 20 ALA CA C 13 51.26 0.1 . 1 . . . . 403 ALA CA . 6932 1 205 . 1 1 20 20 ALA CB C 13 24.65 0.1 . 1 . . . . 403 ALA CB . 6932 1 206 . 1 1 20 20 ALA N N 15 123.50 0.1 . 1 . . . . 403 ALA N . 6932 1 207 . 1 1 21 21 ALA H H 1 8.42 0.02 . 1 . . . . 404 ALA H . 6932 1 208 . 1 1 21 21 ALA HA H 1 5.32 0.02 . 1 . . . . 404 ALA HA . 6932 1 209 . 1 1 21 21 ALA HB1 H 1 1.48 0.02 . 1 . . . . 404 ALA HB . 6932 1 210 . 1 1 21 21 ALA HB2 H 1 1.48 0.02 . 1 . . . . 404 ALA HB . 6932 1 211 . 1 1 21 21 ALA HB3 H 1 1.48 0.02 . 1 . . . . 404 ALA HB . 6932 1 212 . 1 1 21 21 ALA C C 13 176.33 0.1 . 1 . . . . 404 ALA C . 6932 1 213 . 1 1 21 21 ALA CA C 13 51.39 0.1 . 1 . . . . 404 ALA CA . 6932 1 214 . 1 1 21 21 ALA CB C 13 23.75 0.1 . 1 . . . . 404 ALA CB . 6932 1 215 . 1 1 21 21 ALA N N 15 123.51 0.1 . 1 . . . . 404 ALA N . 6932 1 216 . 1 1 22 22 GLY H H 1 8.36 0.02 . 1 . . . . 405 GLY H . 6932 1 217 . 1 1 22 22 GLY HA2 H 1 3.87 0.02 . 2 . . . . 405 GLY HA2 . 6932 1 218 . 1 1 22 22 GLY HA3 H 1 3.51 0.02 . 2 . . . . 405 GLY HA3 . 6932 1 219 . 1 1 22 22 GLY C C 13 169.26 0.1 . 1 . . . . 405 GLY C . 6932 1 220 . 1 1 22 22 GLY CA C 13 46.13 0.1 . 1 . . . . 405 GLY CA . 6932 1 221 . 1 1 22 22 GLY N N 15 104.29 0.1 . 1 . . . . 405 GLY N . 6932 1 222 . 1 1 23 23 LYS H H 1 8.75 0.02 . 1 . . . . 406 LYS H . 6932 1 223 . 1 1 23 23 LYS HA H 1 3.80 0.02 . 1 . . . . 406 LYS HA . 6932 1 224 . 1 1 23 23 LYS HB2 H 1 1.16 0.02 . 2 . . . . 406 LYS HB2 . 6932 1 225 . 1 1 23 23 LYS HB3 H 1 1.77 0.02 . 2 . . . . 406 LYS HB3 . 6932 1 226 . 1 1 23 23 LYS HG2 H 1 0.45 0.02 . 2 . . . . 406 LYS HG2 . 6932 1 227 . 1 1 23 23 LYS HD2 H 1 1.62 0.02 . 2 . . . . 406 LYS HD2 . 6932 1 228 . 1 1 23 23 LYS HE2 H 1 3.04 0.02 . 2 . . . . 406 LYS HE2 . 6932 1 229 . 1 1 23 23 LYS C C 13 177.75 0.1 . 1 . . . . 406 LYS C . 6932 1 230 . 1 1 23 23 LYS CA C 13 55.62 0.1 . 1 . . . . 406 LYS CA . 6932 1 231 . 1 1 23 23 LYS CB C 13 35.37 0.1 . 1 . . . . 406 LYS CB . 6932 1 232 . 1 1 23 23 LYS CG C 13 25.05 0.1 . 1 . . . . 406 LYS CG . 6932 1 233 . 1 1 23 23 LYS CD C 13 29.93 0.1 . 1 . . . . 406 LYS CD . 6932 1 234 . 1 1 23 23 LYS CE C 13 41.80 0.1 . 1 . . . . 406 LYS CE . 6932 1 235 . 1 1 23 23 LYS N N 15 119.81 0.1 . 1 . . . . 406 LYS N . 6932 1 236 . 1 1 24 24 VAL H H 1 8.59 0.02 . 1 . . . . 407 VAL H . 6932 1 237 . 1 1 24 24 VAL HA H 1 4.15 0.02 . 1 . . . . 407 VAL HA . 6932 1 238 . 1 1 24 24 VAL HB H 1 1.76 0.02 . 1 . . . . 407 VAL HB . 6932 1 239 . 1 1 24 24 VAL HG11 H 1 0.38 0.02 . 2 . . . . 407 VAL HG1 . 6932 1 240 . 1 1 24 24 VAL HG12 H 1 0.38 0.02 . 2 . . . . 407 VAL HG1 . 6932 1 241 . 1 1 24 24 VAL HG13 H 1 0.38 0.02 . 2 . . . . 407 VAL HG1 . 6932 1 242 . 1 1 24 24 VAL HG21 H 1 0.92 0.02 . 2 . . . . 407 VAL HG2 . 6932 1 243 . 1 1 24 24 VAL HG22 H 1 0.92 0.02 . 2 . . . . 407 VAL HG2 . 6932 1 244 . 1 1 24 24 VAL HG23 H 1 0.92 0.02 . 2 . . . . 407 VAL HG2 . 6932 1 245 . 1 1 24 24 VAL C C 13 174.95 0.1 . 1 . . . . 407 VAL C . 6932 1 246 . 1 1 24 24 VAL CA C 13 63.17 0.1 . 1 . . . . 407 VAL CA . 6932 1 247 . 1 1 24 24 VAL CB C 13 32.78 0.1 . 1 . . . . 407 VAL CB . 6932 1 248 . 1 1 24 24 VAL CG1 C 13 22.61 0.1 . 1 . . . . 407 VAL CG1 . 6932 1 249 . 1 1 24 24 VAL N N 15 120.87 0.1 . 1 . . . . 407 VAL N . 6932 1 250 . 1 1 25 25 TYR H H 1 8.35 0.02 . 1 . . . . 408 TYR H . 6932 1 251 . 1 1 25 25 TYR HA H 1 4.41 0.02 . 1 . . . . 408 TYR HA . 6932 1 252 . 1 1 25 25 TYR HB2 H 1 3.02 0.02 . 2 . . . . 408 TYR HB2 . 6932 1 253 . 1 1 25 25 TYR HB3 H 1 2.28 0.02 . 2 . . . . 408 TYR HB3 . 6932 1 254 . 1 1 25 25 TYR HD1 H 1 7.20 0.02 . 3 . . . . 408 TYR HD1 . 6932 1 255 . 1 1 25 25 TYR HE1 H 1 6.61 0.02 . 3 . . . . 408 TYR HE1 . 6932 1 256 . 1 1 25 25 TYR C C 13 175.10 0.1 . 1 . . . . 408 TYR C . 6932 1 257 . 1 1 25 25 TYR CA C 13 58.85 0.1 . 1 . . . . 408 TYR CA . 6932 1 258 . 1 1 25 25 TYR CB C 13 43.49 0.1 . 1 . . . . 408 TYR CB . 6932 1 259 . 1 1 25 25 TYR CD1 C 13 133.35 0.1 . 3 . . . . 408 TYR CD1 . 6932 1 260 . 1 1 25 25 TYR CE1 C 13 118.56 0.1 . 3 . . . . 408 TYR CE1 . 6932 1 261 . 1 1 25 25 TYR N N 15 121.72 0.1 . 1 . . . . 408 TYR N . 6932 1 262 . 1 1 26 26 PHE H H 1 9.75 0.02 . 1 . . . . 409 PHE H . 6932 1 263 . 1 1 26 26 PHE HA H 1 5.17 0.02 . 1 . . . . 409 PHE HA . 6932 1 264 . 1 1 26 26 PHE HB2 H 1 2.92 0.02 . 2 . . . . 409 PHE HB2 . 6932 1 265 . 1 1 26 26 PHE HB3 H 1 3.59 0.02 . 2 . . . . 409 PHE HB3 . 6932 1 266 . 1 1 26 26 PHE HD1 H 1 7.40 0.02 . 3 . . . . 409 PHE HD1 . 6932 1 267 . 1 1 26 26 PHE HE1 H 1 7.01 0.02 . 3 . . . . 409 PHE HE1 . 6932 1 268 . 1 1 26 26 PHE HZ H 1 6.90 0.02 . 1 . . . . 409 PHE HZ . 6932 1 269 . 1 1 26 26 PHE C C 13 176.56 0.1 . 1 . . . . 409 PHE C . 6932 1 270 . 1 1 26 26 PHE CA C 13 59.24 0.1 . 1 . . . . 409 PHE CA . 6932 1 271 . 1 1 26 26 PHE CB C 13 41.47 0.1 . 1 . . . . 409 PHE CB . 6932 1 272 . 1 1 26 26 PHE CD1 C 13 131.30 0.1 . 3 . . . . 409 PHE CD1 . 6932 1 273 . 1 1 26 26 PHE CE1 C 13 130.68 0.1 . 3 . . . . 409 PHE CE1 . 6932 1 274 . 1 1 26 26 PHE N N 15 116.07 0.1 . 1 . . . . 409 PHE N . 6932 1 275 . 1 1 27 27 THR H H 1 7.33 0.02 . 1 . . . . 410 THR H . 6932 1 276 . 1 1 27 27 THR HA H 1 4.84 0.02 . 1 . . . . 410 THR HA . 6932 1 277 . 1 1 27 27 THR HB H 1 4.56 0.02 . 1 . . . . 410 THR HB . 6932 1 278 . 1 1 27 27 THR HG21 H 1 1.34 0.02 . 1 . . . . 410 THR HG2 . 6932 1 279 . 1 1 27 27 THR HG22 H 1 1.34 0.02 . 1 . . . . 410 THR HG2 . 6932 1 280 . 1 1 27 27 THR HG23 H 1 1.34 0.02 . 1 . . . . 410 THR HG2 . 6932 1 281 . 1 1 27 27 THR C C 13 174.18 0.1 . 1 . . . . 410 THR C . 6932 1 282 . 1 1 27 27 THR CA C 13 58.97 0.1 . 1 . . . . 410 THR CA . 6932 1 283 . 1 1 27 27 THR CB C 13 72.90 0.1 . 1 . . . . 410 THR CB . 6932 1 284 . 1 1 27 27 THR CG2 C 13 21.95 0.1 . 1 . . . . 410 THR CG2 . 6932 1 285 . 1 1 27 27 THR N N 15 104.54 0.1 . 1 . . . . 410 THR N . 6932 1 286 . 1 1 28 28 ALA H H 1 10.23 0.02 . 1 . . . . 411 ALA H . 6932 1 287 . 1 1 28 28 ALA HA H 1 3.86 0.02 . 1 . . . . 411 ALA HA . 6932 1 288 . 1 1 28 28 ALA HB1 H 1 1.69 0.02 . 1 . . . . 411 ALA HB . 6932 1 289 . 1 1 28 28 ALA HB2 H 1 1.69 0.02 . 1 . . . . 411 ALA HB . 6932 1 290 . 1 1 28 28 ALA HB3 H 1 1.69 0.02 . 1 . . . . 411 ALA HB . 6932 1 291 . 1 1 28 28 ALA C C 13 179.05 0.1 . 1 . . . . 411 ALA C . 6932 1 292 . 1 1 28 28 ALA CA C 13 55.64 0.1 . 1 . . . . 411 ALA CA . 6932 1 293 . 1 1 28 28 ALA CB C 13 19.24 0.1 . 1 . . . . 411 ALA CB . 6932 1 294 . 1 1 28 28 ALA N N 15 127.51 0.1 . 1 . . . . 411 ALA N . 6932 1 295 . 1 1 29 29 ASP H H 1 9.12 0.02 . 1 . . . . 412 ASP H . 6932 1 296 . 1 1 29 29 ASP HA H 1 4.34 0.02 . 1 . . . . 412 ASP HA . 6932 1 297 . 1 1 29 29 ASP HB2 H 1 2.62 0.02 . 2 . . . . 412 ASP HB2 . 6932 1 298 . 1 1 29 29 ASP C C 13 179.74 0.1 . 1 . . . . 412 ASP C . 6932 1 299 . 1 1 29 29 ASP CA C 13 57.66 0.1 . 1 . . . . 412 ASP CA . 6932 1 300 . 1 1 29 29 ASP CB C 13 40.24 0.1 . 1 . . . . 412 ASP CB . 6932 1 301 . 1 1 29 29 ASP N N 15 116.97 0.1 . 1 . . . . 412 ASP N . 6932 1 302 . 1 1 30 30 GLU H H 1 7.56 0.02 . 1 . . . . 413 GLU H . 6932 1 303 . 1 1 30 30 GLU HA H 1 4.01 0.02 . 1 . . . . 413 GLU HA . 6932 1 304 . 1 1 30 30 GLU HB2 H 1 2.25 0.02 . 2 . . . . 413 GLU HB2 . 6932 1 305 . 1 1 30 30 GLU HG2 H 1 2.35 0.02 . 2 . . . . 413 GLU HG2 . 6932 1 306 . 1 1 30 30 GLU C C 13 178.67 0.1 . 1 . . . . 413 GLU C . 6932 1 307 . 1 1 30 30 GLU CA C 13 58.88 0.1 . 1 . . . . 413 GLU CA . 6932 1 308 . 1 1 30 30 GLU CB C 13 30.01 0.1 . 1 . . . . 413 GLU CB . 6932 1 309 . 1 1 30 30 GLU CG C 13 38.42 0.1 . 1 . . . . 413 GLU CG . 6932 1 310 . 1 1 30 30 GLU N N 15 118.93 0.1 . 1 . . . . 413 GLU N . 6932 1 311 . 1 1 31 31 ALA H H 1 8.27 0.02 . 1 . . . . 414 ALA H . 6932 1 312 . 1 1 31 31 ALA HA H 1 3.57 0.02 . 1 . . . . 414 ALA HA . 6932 1 313 . 1 1 31 31 ALA HB1 H 1 1.37 0.02 . 1 . . . . 414 ALA HB . 6932 1 314 . 1 1 31 31 ALA HB2 H 1 1.37 0.02 . 1 . . . . 414 ALA HB . 6932 1 315 . 1 1 31 31 ALA HB3 H 1 1.37 0.02 . 1 . . . . 414 ALA HB . 6932 1 316 . 1 1 31 31 ALA C C 13 178.36 0.1 . 1 . . . . 414 ALA C . 6932 1 317 . 1 1 31 31 ALA CA C 13 54.91 0.1 . 1 . . . . 414 ALA CA . 6932 1 318 . 1 1 31 31 ALA CB C 13 18.66 0.1 . 1 . . . . 414 ALA CB . 6932 1 319 . 1 1 31 31 ALA N N 15 122.98 0.1 . 1 . . . . 414 ALA N . 6932 1 320 . 1 1 32 32 LYS H H 1 8.28 0.02 . 1 . . . . 415 LYS H . 6932 1 321 . 1 1 32 32 LYS HA H 1 3.73 0.02 . 1 . . . . 415 LYS HA . 6932 1 322 . 1 1 32 32 LYS HB2 H 1 1.63 0.02 . 2 . . . . 415 LYS HB2 . 6932 1 323 . 1 1 32 32 LYS HB3 H 1 1.93 0.02 . 2 . . . . 415 LYS HB3 . 6932 1 324 . 1 1 32 32 LYS HG2 H 1 1.35 0.02 . 2 . . . . 415 LYS HG2 . 6932 1 325 . 1 1 32 32 LYS HD2 H 1 1.58 0.02 . 2 . . . . 415 LYS HD2 . 6932 1 326 . 1 1 32 32 LYS HE2 H 1 2.98 0.02 . 2 . . . . 415 LYS HE2 . 6932 1 327 . 1 1 32 32 LYS C C 13 177.94 0.1 . 1 . . . . 415 LYS C . 6932 1 328 . 1 1 32 32 LYS CA C 13 59.88 0.1 . 1 . . . . 415 LYS CA . 6932 1 329 . 1 1 32 32 LYS CB C 13 32.83 0.1 . 1 . . . . 415 LYS CB . 6932 1 330 . 1 1 32 32 LYS CG C 13 24.84 0.1 . 1 . . . . 415 LYS CG . 6932 1 331 . 1 1 32 32 LYS CD C 13 30.28 0.1 . 1 . . . . 415 LYS CD . 6932 1 332 . 1 1 32 32 LYS CE C 13 42.01 0.1 . 1 . . . . 415 LYS CE . 6932 1 333 . 1 1 32 32 LYS N N 15 117.58 0.1 . 1 . . . . 415 LYS N . 6932 1 334 . 1 1 33 33 ALA H H 1 7.67 0.02 . 1 . . . . 416 ALA H . 6932 1 335 . 1 1 33 33 ALA HA H 1 4.06 0.02 . 1 . . . . 416 ALA HA . 6932 1 336 . 1 1 33 33 ALA HB1 H 1 1.38 0.02 . 1 . . . . 416 ALA HB . 6932 1 337 . 1 1 33 33 ALA HB2 H 1 1.38 0.02 . 1 . . . . 416 ALA HB . 6932 1 338 . 1 1 33 33 ALA HB3 H 1 1.38 0.02 . 1 . . . . 416 ALA HB . 6932 1 339 . 1 1 33 33 ALA C C 13 180.30 0.1 . 1 . . . . 416 ALA C . 6932 1 340 . 1 1 33 33 ALA CA C 13 54.90 0.1 . 1 . . . . 416 ALA CA . 6932 1 341 . 1 1 33 33 ALA CB C 13 18.11 0.1 . 1 . . . . 416 ALA CB . 6932 1 342 . 1 1 33 33 ALA N N 15 120.68 0.1 . 1 . . . . 416 ALA N . 6932 1 343 . 1 1 34 34 ALA H H 1 7.65 0.02 . 1 . . . . 417 ALA H . 6932 1 344 . 1 1 34 34 ALA HA H 1 3.84 0.02 . 1 . . . . 417 ALA HA . 6932 1 345 . 1 1 34 34 ALA HB1 H 1 0.81 0.02 . 1 . . . . 417 ALA HB . 6932 1 346 . 1 1 34 34 ALA HB2 H 1 0.81 0.02 . 1 . . . . 417 ALA HB . 6932 1 347 . 1 1 34 34 ALA HB3 H 1 0.81 0.02 . 1 . . . . 417 ALA HB . 6932 1 348 . 1 1 34 34 ALA C C 13 180.23 0.1 . 1 . . . . 417 ALA C . 6932 1 349 . 1 1 34 34 ALA CA C 13 54.97 0.1 . 1 . . . . 417 ALA CA . 6932 1 350 . 1 1 34 34 ALA CB C 13 18.12 0.1 . 1 . . . . 417 ALA CB . 6932 1 351 . 1 1 34 34 ALA N N 15 121.09 0.1 . 1 . . . . 417 ALA N . 6932 1 352 . 1 1 35 35 HIS H H 1 8.25 0.02 . 1 . . . . 418 HIS H . 6932 1 353 . 1 1 35 35 HIS HA H 1 5.03 0.02 . 1 . . . . 418 HIS HA . 6932 1 354 . 1 1 35 35 HIS HB2 H 1 3.44 0.02 . 2 . . . . 418 HIS HB2 . 6932 1 355 . 1 1 35 35 HIS HB3 H 1 3.18 0.02 . 2 . . . . 418 HIS HB3 . 6932 1 356 . 1 1 35 35 HIS HD1 H 1 7.49 0.02 . 1 . . . . 418 HIS HD1 . 6932 1 357 . 1 1 35 35 HIS C C 13 179.85 0.1 . 1 . . . . 418 HIS C . 6932 1 358 . 1 1 35 35 HIS CA C 13 58.37 0.1 . 1 . . . . 418 HIS CA . 6932 1 359 . 1 1 35 35 HIS CB C 13 28.98 0.1 . 1 . . . . 418 HIS CB . 6932 1 360 . 1 1 35 35 HIS N N 15 118.81 0.1 . 1 . . . . 418 HIS N . 6932 1 361 . 1 1 36 36 GLU H H 1 8.40 0.02 . 1 . . . . 419 GLU H . 6932 1 362 . 1 1 36 36 GLU HA H 1 3.93 0.02 . 1 . . . . 419 GLU HA . 6932 1 363 . 1 1 36 36 GLU HB2 H 1 2.12 0.02 . 2 . . . . 419 GLU HB2 . 6932 1 364 . 1 1 36 36 GLU HG2 H 1 2.35 0.02 . 2 . . . . 419 GLU HG2 . 6932 1 365 . 1 1 36 36 GLU C C 13 177.90 0.1 . 1 . . . . 419 GLU C . 6932 1 366 . 1 1 36 36 GLU CA C 13 58.90 0.1 . 1 . . . . 419 GLU CA . 6932 1 367 . 1 1 36 36 GLU CB C 13 29.01 0.1 . 1 . . . . 419 GLU CB . 6932 1 368 . 1 1 36 36 GLU CG C 13 37.11 0.1 . 1 . . . . 419 GLU CG . 6932 1 369 . 1 1 36 36 GLU N N 15 121.32 0.1 . 1 . . . . 419 GLU N . 6932 1 370 . 1 1 37 37 LYS H H 1 7.27 0.02 . 1 . . . . 420 LYS H . 6932 1 371 . 1 1 37 37 LYS HA H 1 4.35 0.02 . 1 . . . . 420 LYS HA . 6932 1 372 . 1 1 37 37 LYS HB2 H 1 1.98 0.02 . 2 . . . . 420 LYS HB2 . 6932 1 373 . 1 1 37 37 LYS HB3 H 1 2.04 0.02 . 2 . . . . 420 LYS HB3 . 6932 1 374 . 1 1 37 37 LYS HG2 H 1 1.55 0.02 . 2 . . . . 420 LYS HG2 . 6932 1 375 . 1 1 37 37 LYS HD2 H 1 1.64 0.02 . 2 . . . . 420 LYS HD2 . 6932 1 376 . 1 1 37 37 LYS HE2 H 1 2.92 0.02 . 2 . . . . 420 LYS HE2 . 6932 1 377 . 1 1 37 37 LYS C C 13 176.60 0.1 . 1 . . . . 420 LYS C . 6932 1 378 . 1 1 37 37 LYS CA C 13 56.62 0.1 . 1 . . . . 420 LYS CA . 6932 1 379 . 1 1 37 37 LYS CB C 13 32.46 0.1 . 1 . . . . 420 LYS CB . 6932 1 380 . 1 1 37 37 LYS CG C 13 25.22 0.1 . 1 . . . . 420 LYS CG . 6932 1 381 . 1 1 37 37 LYS CD C 13 29.51 0.1 . 1 . . . . 420 LYS CD . 6932 1 382 . 1 1 37 37 LYS CE C 13 42.21 0.1 . 1 . . . . 420 LYS CE . 6932 1 383 . 1 1 37 37 LYS N N 15 117.36 0.1 . 1 . . . . 420 LYS N . 6932 1 384 . 1 1 38 38 GLY H H 1 7.83 0.02 . 1 . . . . 421 GLY H . 6932 1 385 . 1 1 38 38 GLY HA2 H 1 3.61 0.02 . 2 . . . . 421 GLY HA2 . 6932 1 386 . 1 1 38 38 GLY HA3 H 1 4.34 0.02 . 2 . . . . 421 GLY HA3 . 6932 1 387 . 1 1 38 38 GLY C C 13 174.82 0.1 . 1 . . . . 421 GLY C . 6932 1 388 . 1 1 38 38 GLY CA C 13 44.87 0.1 . 1 . . . . 421 GLY CA . 6932 1 389 . 1 1 38 38 GLY N N 15 107.18 0.1 . 1 . . . . 421 GLY N . 6932 1 390 . 1 1 39 39 GLU H H 1 7.64 0.02 . 1 . . . . 422 GLU H . 6932 1 391 . 1 1 39 39 GLU HA H 1 4.47 0.02 . 1 . . . . 422 GLU HA . 6932 1 392 . 1 1 39 39 GLU HB2 H 1 1.97 0.02 . 2 . . . . 422 GLU HB2 . 6932 1 393 . 1 1 39 39 GLU HG2 H 1 2.17 0.02 . 2 . . . . 422 GLU HG2 . 6932 1 394 . 1 1 39 39 GLU C C 13 179.5 0.1 . 1 . . . . 422 GLU C . 6932 1 395 . 1 1 39 39 GLU CA C 13 56.12 0.1 . 1 . . . . 422 GLU CA . 6932 1 396 . 1 1 39 39 GLU CB C 13 29.62 0.1 . 1 . . . . 422 GLU CB . 6932 1 397 . 1 1 39 39 GLU CG C 13 35.75 0.1 . 1 . . . . 422 GLU CG . 6932 1 398 . 1 1 39 39 GLU N N 15 119.45 0.1 . 1 . . . . 422 GLU N . 6932 1 399 . 1 1 40 40 ARG H H 1 8.52 0.02 . 1 . . . . 423 ARG H . 6932 1 400 . 1 1 40 40 ARG HA H 1 4.70 0.02 . 1 . . . . 423 ARG HA . 6932 1 401 . 1 1 40 40 ARG HB2 H 1 1.99 0.02 . 2 . . . . 423 ARG HB2 . 6932 1 402 . 1 1 40 40 ARG HB3 H 1 2.26 0.02 . 2 . . . . 423 ARG HB3 . 6932 1 403 . 1 1 40 40 ARG HG2 H 1 1.80 0.02 . 2 . . . . 423 ARG HG2 . 6932 1 404 . 1 1 40 40 ARG HD2 H 1 3.41 0.02 . 2 . . . . 423 ARG HD2 . 6932 1 405 . 1 1 40 40 ARG C C 13 177.07 0.1 . 1 . . . . 423 ARG C . 6932 1 406 . 1 1 40 40 ARG CA C 13 56.18 0.1 . 1 . . . . 423 ARG CA . 6932 1 407 . 1 1 40 40 ARG CB C 13 32.15 0.1 . 1 . . . . 423 ARG CB . 6932 1 408 . 1 1 40 40 ARG CG C 13 28.62 0.1 . 1 . . . . 423 ARG CG . 6932 1 409 . 1 1 40 40 ARG CD C 13 43.85 0.1 . 1 . . . . 423 ARG CD . 6932 1 410 . 1 1 40 40 ARG N N 15 122.98 0.1 . 1 . . . . 423 ARG N . 6932 1 411 . 1 1 41 41 VAL H H 1 9.32 0.02 . 1 . . . . 424 VAL H . 6932 1 412 . 1 1 41 41 VAL HA H 1 5.26 0.02 . 1 . . . . 424 VAL HA . 6932 1 413 . 1 1 41 41 VAL HB H 1 2.13 0.02 . 1 . . . . 424 VAL HB . 6932 1 414 . 1 1 41 41 VAL HG11 H 1 0.96 0.02 . 2 . . . . 424 VAL HG1 . 6932 1 415 . 1 1 41 41 VAL HG12 H 1 0.96 0.02 . 2 . . . . 424 VAL HG1 . 6932 1 416 . 1 1 41 41 VAL HG13 H 1 0.96 0.02 . 2 . . . . 424 VAL HG1 . 6932 1 417 . 1 1 41 41 VAL HG21 H 1 0.98 0.02 . 2 . . . . 424 VAL HG2 . 6932 1 418 . 1 1 41 41 VAL HG22 H 1 0.98 0.02 . 2 . . . . 424 VAL HG2 . 6932 1 419 . 1 1 41 41 VAL HG23 H 1 0.98 0.02 . 2 . . . . 424 VAL HG2 . 6932 1 420 . 1 1 41 41 VAL C C 13 174.79 0.1 . 1 . . . . 424 VAL C . 6932 1 421 . 1 1 41 41 VAL CA C 13 60.84 0.1 . 1 . . . . 424 VAL CA . 6932 1 422 . 1 1 41 41 VAL CB C 13 36.54 0.1 . 1 . . . . 424 VAL CB . 6932 1 423 . 1 1 41 41 VAL CG1 C 13 20.83 0.1 . 1 . . . . 424 VAL CG1 . 6932 1 424 . 1 1 41 41 VAL CG2 C 13 22.15 0.1 . 1 . . . . 424 VAL CG2 . 6932 1 425 . 1 1 41 41 VAL N N 15 121.30 0.1 . 1 . . . . 424 VAL N . 6932 1 426 . 1 1 42 42 ILE H H 1 8.86 0.02 . 1 . . . . 425 ILE H . 6932 1 427 . 1 1 42 42 ILE HA H 1 4.58 0.02 . 1 . . . . 425 ILE HA . 6932 1 428 . 1 1 42 42 ILE HB H 1 1.44 0.02 . 1 . . . . 425 ILE HB . 6932 1 429 . 1 1 42 42 ILE HG12 H 1 1.17 0.02 . 2 . . . . 425 ILE HG12 . 6932 1 430 . 1 1 42 42 ILE HG21 H 1 0.38 0.02 . 1 . . . . 425 ILE HG2 . 6932 1 431 . 1 1 42 42 ILE HG22 H 1 0.38 0.02 . 1 . . . . 425 ILE HG2 . 6932 1 432 . 1 1 42 42 ILE HG23 H 1 0.38 0.02 . 1 . . . . 425 ILE HG2 . 6932 1 433 . 1 1 42 42 ILE HD11 H 1 0.38 0.02 . 1 . . . . 425 ILE HD1 . 6932 1 434 . 1 1 42 42 ILE HD12 H 1 0.38 0.02 . 1 . . . . 425 ILE HD1 . 6932 1 435 . 1 1 42 42 ILE HD13 H 1 0.38 0.02 . 1 . . . . 425 ILE HD1 . 6932 1 436 . 1 1 42 42 ILE C C 13 174.19 0.1 . 1 . . . . 425 ILE C . 6932 1 437 . 1 1 42 42 ILE CA C 13 57.38 0.1 . 1 . . . . 425 ILE CA . 6932 1 438 . 1 1 42 42 ILE CB C 13 38.18 0.1 . 1 . . . . 425 ILE CB . 6932 1 439 . 1 1 42 42 ILE CG1 C 13 26.49 0.1 . 1 . . . . 425 ILE CG1 . 6932 1 440 . 1 1 42 42 ILE CG2 C 13 16.46 0.1 . 1 . . . . 425 ILE CG2 . 6932 1 441 . 1 1 42 42 ILE CD1 C 13 9.69 0.1 . 1 . . . . 425 ILE CD1 . 6932 1 442 . 1 1 42 42 ILE N N 15 126.9 0.1 . 1 . . . . 425 ILE N . 6932 1 443 . 1 1 43 43 LEU H H 1 7.61 0.02 . 1 . . . . 426 LEU H . 6932 1 444 . 1 1 43 43 LEU HA H 1 4.57 0.02 . 1 . . . . 426 LEU HA . 6932 1 445 . 1 1 43 43 LEU HB2 H 1 0.76 0.02 . 2 . . . . 426 LEU HB2 . 6932 1 446 . 1 1 43 43 LEU HB3 H 1 1.66 0.02 . 2 . . . . 426 LEU HB3 . 6932 1 447 . 1 1 43 43 LEU HG H 1 1.17 0.02 . 1 . . . . 426 LEU HG . 6932 1 448 . 1 1 43 43 LEU HD11 H 1 0.47 0.02 . 2 . . . . 426 LEU HD1 . 6932 1 449 . 1 1 43 43 LEU HD12 H 1 0.47 0.02 . 2 . . . . 426 LEU HD1 . 6932 1 450 . 1 1 43 43 LEU HD13 H 1 0.47 0.02 . 2 . . . . 426 LEU HD1 . 6932 1 451 . 1 1 43 43 LEU HD21 H 1 0.56 0.02 . 2 . . . . 426 LEU HD2 . 6932 1 452 . 1 1 43 43 LEU HD22 H 1 0.56 0.02 . 2 . . . . 426 LEU HD2 . 6932 1 453 . 1 1 43 43 LEU HD23 H 1 0.56 0.02 . 2 . . . . 426 LEU HD2 . 6932 1 454 . 1 1 43 43 LEU C C 13 173.42 0.1 . 1 . . . . 426 LEU C . 6932 1 455 . 1 1 43 43 LEU CA C 13 53.34 0.1 . 1 . . . . 426 LEU CA . 6932 1 456 . 1 1 43 43 LEU CB C 13 44.27 0.1 . 1 . . . . 426 LEU CB . 6932 1 457 . 1 1 43 43 LEU CG C 13 26.47 0.1 . 1 . . . . 426 LEU CG . 6932 1 458 . 1 1 43 43 LEU CD1 C 13 22.25 0.1 . 1 . . . . 426 LEU CD1 . 6932 1 459 . 1 1 43 43 LEU CD2 C 13 26.30 0.1 . 1 . . . . 426 LEU CD2 . 6932 1 460 . 1 1 43 43 LEU N N 15 127.80 0.1 . 1 . . . . 426 LEU N . 6932 1 461 . 1 1 44 44 VAL H H 1 8.22 0.02 . 1 . . . . 427 VAL H . 6932 1 462 . 1 1 44 44 VAL HA H 1 5.05 0.02 . 1 . . . . 427 VAL HA . 6932 1 463 . 1 1 44 44 VAL HB H 1 1.38 0.02 . 1 . . . . 427 VAL HB . 6932 1 464 . 1 1 44 44 VAL HG11 H 1 0.49 0.02 . 2 . . . . 427 VAL HG1 . 6932 1 465 . 1 1 44 44 VAL HG12 H 1 0.49 0.02 . 2 . . . . 427 VAL HG1 . 6932 1 466 . 1 1 44 44 VAL HG13 H 1 0.49 0.02 . 2 . . . . 427 VAL HG1 . 6932 1 467 . 1 1 44 44 VAL HG21 H 1 0.05 0.2 . 2 . . . . 427 VAL HG2 . 6932 1 468 . 1 1 44 44 VAL HG22 H 1 0.05 0.2 . 2 . . . . 427 VAL HG2 . 6932 1 469 . 1 1 44 44 VAL HG23 H 1 0.05 0.2 . 2 . . . . 427 VAL HG2 . 6932 1 470 . 1 1 44 44 VAL C C 13 175.17 0.1 . 1 . . . . 427 VAL C . 6932 1 471 . 1 1 44 44 VAL CA C 13 60.63 0.1 . 1 . . . . 427 VAL CA . 6932 1 472 . 1 1 44 44 VAL CB C 13 32.24 0.1 . 1 . . . . 427 VAL CB . 6932 1 473 . 1 1 44 44 VAL CG1 C 13 21.72 0.1 . 1 . . . . 427 VAL CG1 . 6932 1 474 . 1 1 44 44 VAL CG2 C 13 18.70 0.1 . 1 . . . . 427 VAL CG2 . 6932 1 475 . 1 1 44 44 VAL N N 15 128.49 0.1 . 1 . . . . 427 VAL N . 6932 1 476 . 1 1 45 45 ARG H H 1 7.97 0.02 . 1 . . . . 428 ARG H . 6932 1 477 . 1 1 45 45 ARG HA H 1 4.70 0.02 . 1 . . . . 428 ARG HA . 6932 1 478 . 1 1 45 45 ARG HB2 H 1 1.02 0.02 . 2 . . . . 428 ARG HB2 . 6932 1 479 . 1 1 45 45 ARG HB3 H 1 1.95 0.02 . 2 . . . . 428 ARG HB3 . 6932 1 480 . 1 1 45 45 ARG HG2 H 1 1.56 0.02 . 2 . . . . 428 ARG HG2 . 6932 1 481 . 1 1 45 45 ARG HD2 H 1 2.93 0.02 . 2 . . . . 428 ARG HD2 . 6932 1 482 . 1 1 45 45 ARG HD3 H 1 3.42 0.02 . 2 . . . . 428 ARG HD3 . 6932 1 483 . 1 1 45 45 ARG C C 13 175.43 0.1 . 1 . . . . 428 ARG C . 6932 1 484 . 1 1 45 45 ARG CA C 13 52.37 0.1 . 1 . . . . 428 ARG CA . 6932 1 485 . 1 1 45 45 ARG CB C 13 36.03 0.1 . 1 . . . . 428 ARG CB . 6932 1 486 . 1 1 45 45 ARG CG C 13 26.86 0.1 . 1 . . . . 428 ARG CG . 6932 1 487 . 1 1 45 45 ARG CD C 13 42.70 0.1 . 1 . . . . 428 ARG CD . 6932 1 488 . 1 1 45 45 ARG N N 15 120.89 0.1 . 1 . . . . 428 ARG N . 6932 1 489 . 1 1 46 46 LEU H H 1 9.30 0.02 . 1 . . . . 429 LEU H . 6932 1 490 . 1 1 46 46 LEU HA H 1 3.88 0.02 . 1 . . . . 429 LEU HA . 6932 1 491 . 1 1 46 46 LEU HB2 H 1 1.59 0.02 . 2 . . . . 429 LEU HB2 . 6932 1 492 . 1 1 46 46 LEU HB3 H 1 1.85 0.02 . 2 . . . . 429 LEU HB3 . 6932 1 493 . 1 1 46 46 LEU HG H 1 1.70 0.02 . 1 . . . . 429 LEU HG . 6932 1 494 . 1 1 46 46 LEU HD11 H 1 0.93 0.02 . 2 . . . . 429 LEU HD1 . 6932 1 495 . 1 1 46 46 LEU HD12 H 1 0.93 0.02 . 2 . . . . 429 LEU HD1 . 6932 1 496 . 1 1 46 46 LEU HD13 H 1 0.93 0.02 . 2 . . . . 429 LEU HD1 . 6932 1 497 . 1 1 46 46 LEU HD21 H 1 0.96 0.02 . 2 . . . . 429 LEU HD2 . 6932 1 498 . 1 1 46 46 LEU HD22 H 1 0.96 0.02 . 2 . . . . 429 LEU HD2 . 6932 1 499 . 1 1 46 46 LEU HD23 H 1 0.96 0.02 . 2 . . . . 429 LEU HD2 . 6932 1 500 . 1 1 46 46 LEU C C 13 176.08 0.1 . 1 . . . . 429 LEU C . 6932 1 501 . 1 1 46 46 LEU CA C 13 59.39 0.1 . 1 . . . . 429 LEU CA . 6932 1 502 . 1 1 46 46 LEU CB C 13 42.81 0.1 . 1 . . . . 429 LEU CB . 6932 1 503 . 1 1 46 46 LEU CG C 13 27.07 0.1 . 1 . . . . 429 LEU CG . 6932 1 504 . 1 1 46 46 LEU CD1 C 13 24.50 0.1 . 1 . . . . 429 LEU CD1 . 6932 1 505 . 1 1 46 46 LEU CD2 C 13 24.73 0.1 . 1 . . . . 429 LEU CD2 . 6932 1 506 . 1 1 46 46 LEU N N 15 122.88 0.1 . 1 . . . . 429 LEU N . 6932 1 507 . 1 1 47 47 GLU H H 1 7.25 0.02 . 1 . . . . 430 GLU H . 6932 1 508 . 1 1 47 47 GLU HA H 1 4.38 0.02 . 1 . . . . 430 GLU HA . 6932 1 509 . 1 1 47 47 GLU HB2 H 1 2.15 0.02 . 2 . . . . 430 GLU HB2 . 6932 1 510 . 1 1 47 47 GLU HB3 H 1 2.48 0.02 . 2 . . . . 430 GLU HB3 . 6932 1 511 . 1 1 47 47 GLU C C 13 175.21 0.1 . 1 . . . . 430 GLU C . 6932 1 512 . 1 1 47 47 GLU CA C 13 55.38 0.1 . 1 . . . . 430 GLU CA . 6932 1 513 . 1 1 47 47 GLU CB C 13 32.33 0.1 . 1 . . . . 430 GLU CB . 6932 1 514 . 1 1 47 47 GLU CG C 13 35.69 0.1 . 1 . . . . 430 GLU CG . 6932 1 515 . 1 1 47 47 GLU N N 15 108.50 0.1 . 1 . . . . 430 GLU N . 6932 1 516 . 1 1 48 48 THR H H 1 8.93 0.02 . 1 . . . . 431 THR H . 6932 1 517 . 1 1 48 48 THR HA H 1 4.93 0.02 . 1 . . . . 431 THR HA . 6932 1 518 . 1 1 48 48 THR HB H 1 4.71 0.02 . 1 . . . . 431 THR HB . 6932 1 519 . 1 1 48 48 THR HG21 H 1 0.87 0.02 . 1 . . . . 431 THR HG2 . 6932 1 520 . 1 1 48 48 THR HG22 H 1 0.87 0.02 . 1 . . . . 431 THR HG2 . 6932 1 521 . 1 1 48 48 THR HG23 H 1 0.87 0.02 . 1 . . . . 431 THR HG2 . 6932 1 522 . 1 1 48 48 THR C C 13 173.24 0.1 . 1 . . . . 431 THR C . 6932 1 523 . 1 1 48 48 THR CA C 13 61.40 0.1 . 1 . . . . 431 THR CA . 6932 1 524 . 1 1 48 48 THR CB C 13 70.33 0.1 . 1 . . . . 431 THR CB . 6932 1 525 . 1 1 48 48 THR CG2 C 13 21.50 0.1 . 1 . . . . 431 THR CG2 . 6932 1 526 . 1 1 48 48 THR N N 15 113.00 0.1 . 1 . . . . 431 THR N . 6932 1 527 . 1 1 49 49 SER H H 1 8.64 0.02 . 1 . . . . 432 SER H . 6932 1 528 . 1 1 49 49 SER HA H 1 3.98 0.02 . 1 . . . . 432 SER HA . 6932 1 529 . 1 1 49 49 SER HB2 H 1 3.64 0.02 . 2 . . . . 432 SER HB2 . 6932 1 530 . 1 1 49 49 SER CA C 13 55.67 0.1 . 1 . . . . 432 SER CA . 6932 1 531 . 1 1 49 49 SER CB C 13 65.06 0.1 . 1 . . . . 432 SER CB . 6932 1 532 . 1 1 49 49 SER N N 15 116.58 0.1 . 1 . . . . 432 SER N . 6932 1 533 . 1 1 50 50 PRO HA H 1 4.19 0.02 . 1 . . . . 433 PRO HA . 6932 1 534 . 1 1 50 50 PRO HB2 H 1 1.86 0.02 . 2 . . . . 433 PRO HB2 . 6932 1 535 . 1 1 50 50 PRO HB3 H 1 2.50 0.02 . 2 . . . . 433 PRO HB3 . 6932 1 536 . 1 1 50 50 PRO HG2 H 1 2.17 0.02 . 2 . . . . 433 PRO HG2 . 6932 1 537 . 1 1 50 50 PRO HD2 H 1 3.29 0.02 . 2 . . . . 433 PRO HD2 . 6932 1 538 . 1 1 50 50 PRO HD3 H 1 3.64 0.02 . 2 . . . . 433 PRO HD3 . 6932 1 539 . 1 1 50 50 PRO C C 13 178.05 0.1 . 1 . . . . 433 PRO C . 6932 1 540 . 1 1 50 50 PRO CA C 13 66.00 0.1 . 1 . . . . 433 PRO CA . 6932 1 541 . 1 1 50 50 PRO CB C 13 31.80 0.1 . 1 . . . . 433 PRO CB . 6932 1 542 . 1 1 50 50 PRO CG C 13 27.95 0.1 . 1 . . . . 433 PRO CG . 6932 1 543 . 1 1 50 50 PRO CD C 13 50.73 0.1 . 1 . . . . 433 PRO CD . 6932 1 544 . 1 1 51 51 GLU H H 1 8.30 0.02 . 1 . . . . 434 GLU H . 6932 1 545 . 1 1 51 51 GLU HA H 1 4.15 0.02 . 1 . . . . 434 GLU HA . 6932 1 546 . 1 1 51 51 GLU HB2 H 1 1.86 0.02 . 2 . . . . 434 GLU HB2 . 6932 1 547 . 1 1 51 51 GLU HB3 H 1 2.09 0.02 . 2 . . . . 434 GLU HB3 . 6932 1 548 . 1 1 51 51 GLU HG2 H 1 2.33 0.02 . 2 . . . . 434 GLU HG2 . 6932 1 549 . 1 1 51 51 GLU C C 13 177.77 0.1 . 1 . . . . 434 GLU C . 6932 1 550 . 1 1 51 51 GLU CA C 13 58.80 0.1 . 1 . . . . 434 GLU CA . 6932 1 551 . 1 1 51 51 GLU CB C 13 29.01 0.1 . 1 . . . . 434 GLU CB . 6932 1 552 . 1 1 51 51 GLU CG C 13 37.14 0.1 . 1 . . . . 434 GLU CG . 6932 1 553 . 1 1 51 51 GLU N N 15 115.94 0.1 . 1 . . . . 434 GLU N . 6932 1 554 . 1 1 52 52 ASP H H 1 8.46 0.02 . 1 . . . . 435 ASP H . 6932 1 555 . 1 1 52 52 ASP HA H 1 4.68 0.02 . 1 . . . . 435 ASP HA . 6932 1 556 . 1 1 52 52 ASP HB2 H 1 2.71 0.02 . 2 . . . . 435 ASP HB2 . 6932 1 557 . 1 1 52 52 ASP HB3 H 1 3.11 0.02 . 2 . . . . 435 ASP HB3 . 6932 1 558 . 1 1 52 52 ASP C C 13 178.25 0.1 . 1 . . . . 435 ASP C . 6932 1 559 . 1 1 52 52 ASP CA C 13 55.06 0.1 . 1 . . . . 435 ASP CA . 6932 1 560 . 1 1 52 52 ASP CB C 13 42.15 0.1 . 1 . . . . 435 ASP CB . 6932 1 561 . 1 1 52 52 ASP N N 15 118.22 0.1 . 1 . . . . 435 ASP N . 6932 1 562 . 1 1 53 53 ILE H H 1 7.31 0.02 . 1 . . . . 436 ILE H . 6932 1 563 . 1 1 53 53 ILE HA H 1 3.95 0.02 . 1 . . . . 436 ILE HA . 6932 1 564 . 1 1 53 53 ILE HB H 1 2.07 0.02 . 1 . . . . 436 ILE HB . 6932 1 565 . 1 1 53 53 ILE HG12 H 1 1.47 0.02 . 2 . . . . 436 ILE HG12 . 6932 1 566 . 1 1 53 53 ILE HG21 H 1 0.99 0.02 . 1 . . . . 436 ILE HG2 . 6932 1 567 . 1 1 53 53 ILE HG22 H 1 0.99 0.02 . 1 . . . . 436 ILE HG2 . 6932 1 568 . 1 1 53 53 ILE HG23 H 1 0.99 0.02 . 1 . . . . 436 ILE HG2 . 6932 1 569 . 1 1 53 53 ILE HD11 H 1 0.97 0.02 . 1 . . . . 436 ILE HD1 . 6932 1 570 . 1 1 53 53 ILE HD12 H 1 0.97 0.02 . 1 . . . . 436 ILE HD1 . 6932 1 571 . 1 1 53 53 ILE HD13 H 1 0.97 0.02 . 1 . . . . 436 ILE HD1 . 6932 1 572 . 1 1 53 53 ILE C C 13 176.35 0.1 . 1 . . . . 436 ILE C . 6932 1 573 . 1 1 53 53 ILE CA C 13 64.28 0.1 . 1 . . . . 436 ILE CA . 6932 1 574 . 1 1 53 53 ILE CB C 13 38.58 0.1 . 1 . . . . 436 ILE CB . 6932 1 575 . 1 1 53 53 ILE CG1 C 13 28.93 0.1 . 1 . . . . 436 ILE CG1 . 6932 1 576 . 1 1 53 53 ILE CG2 C 13 18.43 0.1 . 1 . . . . 436 ILE CG2 . 6932 1 577 . 1 1 53 53 ILE CD1 C 13 14.08 0.1 . 1 . . . . 436 ILE CD1 . 6932 1 578 . 1 1 53 53 ILE N N 15 120.42 0.1 . 1 . . . . 436 ILE N . 6932 1 579 . 1 1 54 54 GLU H H 1 8.74 0.02 . 1 . . . . 437 GLU H . 6932 1 580 . 1 1 54 54 GLU HA H 1 4.20 0.02 . 1 . . . . 437 GLU HA . 6932 1 581 . 1 1 54 54 GLU HB2 H 1 2.01 0.02 . 2 . . . . 437 GLU HB2 . 6932 1 582 . 1 1 54 54 GLU HG2 H 1 2.20 0.02 . 2 . . . . 437 GLU HG2 . 6932 1 583 . 1 1 54 54 GLU C C 13 180.77 0.1 . 1 . . . . 437 GLU C . 6932 1 584 . 1 1 54 54 GLU CA C 13 60.05 0.1 . 1 . . . . 437 GLU CA . 6932 1 585 . 1 1 54 54 GLU CB C 13 29.00 0.1 . 1 . . . . 437 GLU CB . 6932 1 586 . 1 1 54 54 GLU CG C 13 37.10 0.1 . 1 . . . . 437 GLU CG . 6932 1 587 . 1 1 54 54 GLU N N 15 120.99 0.1 . 1 . . . . 437 GLU N . 6932 1 588 . 1 1 55 55 GLY H H 1 7.96 0.02 . 1 . . . . 438 GLY H . 6932 1 589 . 1 1 55 55 GLY HA2 H 1 3.65 0.02 . 2 . . . . 438 GLY HA2 . 6932 1 590 . 1 1 55 55 GLY HA3 H 1 3.86 0.02 . 2 . . . . 438 GLY HA3 . 6932 1 591 . 1 1 55 55 GLY C C 13 174.44 0.1 . 1 . . . . 438 GLY C . 6932 1 592 . 1 1 55 55 GLY CA C 13 47.41 0.1 . 1 . . . . 438 GLY CA . 6932 1 593 . 1 1 55 55 GLY N N 15 107.07 0.1 . 1 . . . . 438 GLY N . 6932 1 594 . 1 1 56 56 MET H H 1 8.08 0.02 . 1 . . . . 439 MET H . 6932 1 595 . 1 1 56 56 MET HA H 1 3.61 0.02 . 1 . . . . 439 MET HA . 6932 1 596 . 1 1 56 56 MET HB2 H 1 2.01 0.02 . 2 . . . . 439 MET HB2 . 6932 1 597 . 1 1 56 56 MET HB3 H 1 2.05 0.02 . 2 . . . . 439 MET HB3 . 6932 1 598 . 1 1 56 56 MET HG2 H 1 2.63 0.02 . 2 . . . . 439 MET HG2 . 6932 1 599 . 1 1 56 56 MET HE1 H 1 1.62 0.02 . 1 . . . . 439 MET HE . 6932 1 600 . 1 1 56 56 MET HE2 H 1 1.62 0.02 . 1 . . . . 439 MET HE . 6932 1 601 . 1 1 56 56 MET HE3 H 1 1.62 0.02 . 1 . . . . 439 MET HE . 6932 1 602 . 1 1 56 56 MET C C 13 177.8 0.1 . 1 . . . . 439 MET C . 6932 1 603 . 1 1 56 56 MET CA C 13 59.45 0.1 . 1 . . . . 439 MET CA . 6932 1 604 . 1 1 56 56 MET CB C 13 33.38 0.1 . 1 . . . . 439 MET CB . 6932 1 605 . 1 1 56 56 MET CG C 13 32.71 0.1 . 1 . . . . 439 MET CG . 6932 1 606 . 1 1 56 56 MET N N 15 119.53 0.1 . 1 . . . . 439 MET N . 6932 1 607 . 1 1 57 57 HIS H H 1 8.09 0.02 . 1 . . . . 440 HIS H . 6932 1 608 . 1 1 57 57 HIS HA H 1 4.30 0.02 . 1 . . . . 440 HIS HA . 6932 1 609 . 1 1 57 57 HIS HB2 H 1 3.15 0.02 . 2 . . . . 440 HIS HB2 . 6932 1 610 . 1 1 57 57 HIS HD1 H 1 7.09 0.02 . 1 . . . . 440 HIS HD1 . 6932 1 611 . 1 1 57 57 HIS C C 13 175.36 0.1 . 1 . . . . 440 HIS C . 6932 1 612 . 1 1 57 57 HIS CA C 13 58.62 0.1 . 1 . . . . 440 HIS CA . 6932 1 613 . 1 1 57 57 HIS CB C 13 30.02 0.1 . 1 . . . . 440 HIS CB . 6932 1 614 . 1 1 57 57 HIS N N 15 116.27 0.1 . 1 . . . . 440 HIS N . 6932 1 615 . 1 1 58 58 ALA H H 1 6.94 0.02 . 1 . . . . 441 ALA H . 6932 1 616 . 1 1 58 58 ALA HA H 1 3.70 0.02 . 1 . . . . 441 ALA HA . 6932 1 617 . 1 1 58 58 ALA HB1 H 1 1.29 0.02 . 1 . . . . 441 ALA HB . 6932 1 618 . 1 1 58 58 ALA HB2 H 1 1.29 0.02 . 1 . . . . 441 ALA HB . 6932 1 619 . 1 1 58 58 ALA HB3 H 1 1.29 0.02 . 1 . . . . 441 ALA HB . 6932 1 620 . 1 1 58 58 ALA C C 13 175.74 0.1 . 1 . . . . 441 ALA C . 6932 1 621 . 1 1 58 58 ALA CA C 13 52.26 0.1 . 1 . . . . 441 ALA CA . 6932 1 622 . 1 1 58 58 ALA CB C 13 19.30 0.1 . 1 . . . . 441 ALA CB . 6932 1 623 . 1 1 58 58 ALA N N 15 118.77 0.1 . 1 . . . . 441 ALA N . 6932 1 624 . 1 1 59 59 ALA H H 1 6.82 0.02 . 1 . . . . 442 ALA H . 6932 1 625 . 1 1 59 59 ALA HA H 1 4.11 0.02 . 1 . . . . 442 ALA HA . 6932 1 626 . 1 1 59 59 ALA HB1 H 1 1.31 0.02 . 1 . . . . 442 ALA HB . 6932 1 627 . 1 1 59 59 ALA HB2 H 1 1.31 0.02 . 1 . . . . 442 ALA HB . 6932 1 628 . 1 1 59 59 ALA HB3 H 1 1.31 0.02 . 1 . . . . 442 ALA HB . 6932 1 629 . 1 1 59 59 ALA C C 13 176.60 0.1 . 1 . . . . 442 ALA C . 6932 1 630 . 1 1 59 59 ALA CA C 13 51.94 0.1 . 1 . . . . 442 ALA CA . 6932 1 631 . 1 1 59 59 ALA CB C 13 19.79 0.1 . 1 . . . . 442 ALA CB . 6932 1 632 . 1 1 59 59 ALA N N 15 119.01 0.1 . 1 . . . . 442 ALA N . 6932 1 633 . 1 1 60 60 GLU H H 1 9.47 0.02 . 1 . . . . 443 GLU H . 6932 1 634 . 1 1 60 60 GLU HA H 1 4.21 0.02 . 1 . . . . 443 GLU HA . 6932 1 635 . 1 1 60 60 GLU HB2 H 1 1.95 0.02 . 2 . . . . 443 GLU HB2 . 6932 1 636 . 1 1 60 60 GLU HB3 H 1 2.13 0.02 . 2 . . . . 443 GLU HB3 . 6932 1 637 . 1 1 60 60 GLU HG2 H 1 2.63 0.02 . 2 . . . . 443 GLU HG2 . 6932 1 638 . 1 1 60 60 GLU C C 13 176.0 0.1 . 1 . . . . 443 GLU C . 6932 1 639 . 1 1 60 60 GLU CA C 13 57.25 0.1 . 1 . . . . 443 GLU CA . 6932 1 640 . 1 1 60 60 GLU CB C 13 30.69 0.1 . 1 . . . . 443 GLU CB . 6932 1 641 . 1 1 60 60 GLU CG C 13 37.12 0.1 . 1 . . . . 443 GLU CG . 6932 1 642 . 1 1 60 60 GLU N N 15 121.44 0.1 . 1 . . . . 443 GLU N . 6932 1 643 . 1 1 61 61 GLY H H 1 7.16 0.02 . 1 . . . . 444 GLY H . 6932 1 644 . 1 1 61 61 GLY HA2 H 1 3.06 0.02 . 2 . . . . 444 GLY HA2 . 6932 1 645 . 1 1 61 61 GLY HA3 H 1 4.70 0.02 . 2 . . . . 444 GLY HA3 . 6932 1 646 . 1 1 61 61 GLY C C 13 169.89 0.1 . 1 . . . . 444 GLY C . 6932 1 647 . 1 1 61 61 GLY CA C 13 44.50 0.1 . 1 . . . . 444 GLY CA . 6932 1 648 . 1 1 61 61 GLY N N 15 126.15 0.1 . 1 . . . . 444 GLY N . 6932 1 649 . 1 1 62 62 ILE H H 1 7.68 0.02 . 1 . . . . 445 ILE H . 6932 1 650 . 1 1 62 62 ILE HA H 1 4.69 0.02 . 1 . . . . 445 ILE HA . 6932 1 651 . 1 1 62 62 ILE HB H 1 1.53 0.02 . 1 . . . . 445 ILE HB . 6932 1 652 . 1 1 62 62 ILE HG12 H 1 1.38 0.02 . 2 . . . . 445 ILE HG12 . 6932 1 653 . 1 1 62 62 ILE HG21 H 1 0.70 0.02 . 1 . . . . 445 ILE HG2 . 6932 1 654 . 1 1 62 62 ILE HG22 H 1 0.70 0.02 . 1 . . . . 445 ILE HG2 . 6932 1 655 . 1 1 62 62 ILE HG23 H 1 0.70 0.02 . 1 . . . . 445 ILE HG2 . 6932 1 656 . 1 1 62 62 ILE HD11 H 1 0.74 0.02 . 1 . . . . 445 ILE HD1 . 6932 1 657 . 1 1 62 62 ILE HD12 H 1 0.74 0.02 . 1 . . . . 445 ILE HD1 . 6932 1 658 . 1 1 62 62 ILE HD13 H 1 0.74 0.02 . 1 . . . . 445 ILE HD1 . 6932 1 659 . 1 1 62 62 ILE C C 13 171.54 0.1 . 1 . . . . 445 ILE C . 6932 1 660 . 1 1 62 62 ILE CA C 13 59.85 0.1 . 1 . . . . 445 ILE CA . 6932 1 661 . 1 1 62 62 ILE CB C 13 41.58 0.1 . 1 . . . . 445 ILE CB . 6932 1 662 . 1 1 62 62 ILE CG1 C 13 28.39 0.1 . 1 . . . . 445 ILE CG1 . 6932 1 663 . 1 1 62 62 ILE CG2 C 13 18.66 0.1 . 1 . . . . 445 ILE CG2 . 6932 1 664 . 1 1 62 62 ILE CD1 C 13 14.60 0.1 . 1 . . . . 445 ILE CD1 . 6932 1 665 . 1 1 62 62 ILE N N 15 121.10 0.1 . 1 . . . . 445 ILE N . 6932 1 666 . 1 1 63 63 LEU H H 1 8.74 0.02 . 1 . . . . 446 LEU H . 6932 1 667 . 1 1 63 63 LEU HA H 1 5.54 0.02 . 1 . . . . 446 LEU HA . 6932 1 668 . 1 1 63 63 LEU HB2 H 1 0.97 0.02 . 2 . . . . 446 LEU HB2 . 6932 1 669 . 1 1 63 63 LEU HB3 H 1 1.54 0.02 . 2 . . . . 446 LEU HB3 . 6932 1 670 . 1 1 63 63 LEU HG H 1 0.95 0.02 . 1 . . . . 446 LEU HG . 6932 1 671 . 1 1 63 63 LEU HD11 H 1 0.70 0.02 . 2 . . . . 446 LEU HD1 . 6932 1 672 . 1 1 63 63 LEU HD12 H 1 0.70 0.02 . 2 . . . . 446 LEU HD1 . 6932 1 673 . 1 1 63 63 LEU HD13 H 1 0.70 0.02 . 2 . . . . 446 LEU HD1 . 6932 1 674 . 1 1 63 63 LEU HD21 H 1 0.36 0.02 . 2 . . . . 446 LEU HD2 . 6932 1 675 . 1 1 63 63 LEU HD22 H 1 0.36 0.02 . 2 . . . . 446 LEU HD2 . 6932 1 676 . 1 1 63 63 LEU HD23 H 1 0.36 0.02 . 2 . . . . 446 LEU HD2 . 6932 1 677 . 1 1 63 63 LEU C C 13 174.24 0.1 . 1 . . . . 446 LEU C . 6932 1 678 . 1 1 63 63 LEU CA C 13 52.64 0.1 . 1 . . . . 446 LEU CA . 6932 1 679 . 1 1 63 63 LEU CB C 13 45.82 0.1 . 1 . . . . 446 LEU CB . 6932 1 680 . 1 1 63 63 LEU CG C 13 27.13 0.1 . 1 . . . . 446 LEU CG . 6932 1 681 . 1 1 63 63 LEU CD1 C 13 22.96 0.1 . 1 . . . . 446 LEU CD1 . 6932 1 682 . 1 1 63 63 LEU CD2 C 13 25.42 0.1 . 1 . . . . 446 LEU CD2 . 6932 1 683 . 1 1 63 63 LEU N N 15 130.91 0.1 . 1 . . . . 446 LEU N . 6932 1 684 . 1 1 64 64 THR H H 1 8.10 0.02 . 1 . . . . 447 THR H . 6932 1 685 . 1 1 64 64 THR HA H 1 6.10 0.02 . 1 . . . . 447 THR HA . 6932 1 686 . 1 1 64 64 THR HB H 1 4.50 0.02 . 1 . . . . 447 THR HB . 6932 1 687 . 1 1 64 64 THR HG21 H 1 0.90 0.02 . 1 . . . . 447 THR HG2 . 6932 1 688 . 1 1 64 64 THR HG22 H 1 0.90 0.02 . 1 . . . . 447 THR HG2 . 6932 1 689 . 1 1 64 64 THR HG23 H 1 0.90 0.02 . 1 . . . . 447 THR HG2 . 6932 1 690 . 1 1 64 64 THR C C 13 174.45 0.1 . 1 . . . . 447 THR C . 6932 1 691 . 1 1 64 64 THR CA C 13 57.06 0.1 . 1 . . . . 447 THR CA . 6932 1 692 . 1 1 64 64 THR CB C 13 71.88 0.1 . 1 . . . . 447 THR CB . 6932 1 693 . 1 1 64 64 THR CG2 C 13 22.61 0.1 . 1 . . . . 447 THR CG2 . 6932 1 694 . 1 1 64 64 THR N N 15 112.01 0.1 . 1 . . . . 447 THR N . 6932 1 695 . 1 1 65 65 VAL H H 1 7.46 0.02 . 1 . . . . 448 VAL H . 6932 1 696 . 1 1 65 65 VAL HA H 1 3.89 0.02 . 1 . . . . 448 VAL HA . 6932 1 697 . 1 1 65 65 VAL HB H 1 2.23 0.02 . 1 . . . . 448 VAL HB . 6932 1 698 . 1 1 65 65 VAL HG11 H 1 0.87 0.02 . 2 . . . . 448 VAL HG1 . 6932 1 699 . 1 1 65 65 VAL HG12 H 1 0.87 0.02 . 2 . . . . 448 VAL HG1 . 6932 1 700 . 1 1 65 65 VAL HG13 H 1 0.87 0.02 . 2 . . . . 448 VAL HG1 . 6932 1 701 . 1 1 65 65 VAL HG21 H 1 1.14 0.02 . 2 . . . . 448 VAL HG2 . 6932 1 702 . 1 1 65 65 VAL HG22 H 1 1.14 0.02 . 2 . . . . 448 VAL HG2 . 6932 1 703 . 1 1 65 65 VAL HG23 H 1 1.14 0.02 . 2 . . . . 448 VAL HG2 . 6932 1 704 . 1 1 65 65 VAL C C 13 175.70 0.1 . 1 . . . . 448 VAL C . 6932 1 705 . 1 1 65 65 VAL CA C 13 62.76 0.1 . 1 . . . . 448 VAL CA . 6932 1 706 . 1 1 65 65 VAL CB C 13 33.87 0.1 . 1 . . . . 448 VAL CB . 6932 1 707 . 1 1 65 65 VAL CG1 C 13 22.09 0.1 . 1 . . . . 448 VAL CG1 . 6932 1 708 . 1 1 65 65 VAL CG2 C 13 20.98 0.1 . 1 . . . . 448 VAL CG2 . 6932 1 709 . 1 1 65 65 VAL N N 15 120.08 0.1 . 1 . . . . 448 VAL N . 6932 1 710 . 1 1 66 66 ARG H H 1 8.61 0.02 . 1 . . . . 449 ARG H . 6932 1 711 . 1 1 66 66 ARG HA H 1 4.62 0.02 . 1 . . . . 449 ARG HA . 6932 1 712 . 1 1 66 66 ARG HB2 H 1 1.79 0.02 . 2 . . . . 449 ARG HB2 . 6932 1 713 . 1 1 66 66 ARG HG2 H 1 1.60 0.02 . 2 . . . . 449 ARG HG2 . 6932 1 714 . 1 1 66 66 ARG HD2 H 1 3.17 0.02 . 2 . . . . 449 ARG HD2 . 6932 1 715 . 1 1 66 66 ARG C C 13 175.88 0.1 . 1 . . . . 449 ARG C . 6932 1 716 . 1 1 66 66 ARG CA C 13 54.45 0.1 . 1 . . . . 449 ARG CA . 6932 1 717 . 1 1 66 66 ARG CB C 13 33.91 0.1 . 1 . . . . 449 ARG CB . 6932 1 718 . 1 1 66 66 ARG CG C 13 27.36 0.1 . 1 . . . . 449 ARG CG . 6932 1 719 . 1 1 66 66 ARG CD C 13 43.95 0.1 . 1 . . . . 449 ARG CD . 6932 1 720 . 1 1 66 66 ARG N N 15 117.01 0.1 . 1 . . . . 449 ARG N . 6932 1 721 . 1 1 67 67 GLY H H 1 8.65 0.02 . 1 . . . . 450 GLY H . 6932 1 722 . 1 1 67 67 GLY HA2 H 1 4.35 0.02 . 2 . . . . 450 GLY HA2 . 6932 1 723 . 1 1 67 67 GLY HA3 H 1 3.73 0.02 . 2 . . . . 450 GLY HA3 . 6932 1 724 . 1 1 67 67 GLY C C 13 173.90 0.1 . 1 . . . . 450 GLY C . 6932 1 725 . 1 1 67 67 GLY CA C 13 44.65 0.1 . 1 . . . . 450 GLY CA . 6932 1 726 . 1 1 67 67 GLY N N 15 111.16 0.1 . 1 . . . . 450 GLY N . 6932 1 727 . 1 1 68 68 GLY H H 1 8.27 0.02 . 1 . . . . 451 GLY H . 6932 1 728 . 1 1 68 68 GLY HA2 H 1 3.70 0.02 . 2 . . . . 451 GLY HA2 . 6932 1 729 . 1 1 68 68 GLY HA3 H 1 4.41 0.02 . 2 . . . . 451 GLY HA3 . 6932 1 730 . 1 1 68 68 GLY CA C 13 44.34 0.1 . 1 . . . . 451 GLY CA . 6932 1 731 . 1 1 68 68 GLY N N 15 109.66 0.1 . 1 . . . . 451 GLY N . 6932 1 732 . 1 1 70 70 THR HA H 1 4.38 0.02 . 1 . . . . 453 THR HA . 6932 1 733 . 1 1 70 70 THR HB H 1 4.57 0.02 . 1 . . . . 453 THR HB . 6932 1 734 . 1 1 70 70 THR HG21 H 1 1.09 0.02 . 1 . . . . 453 THR HG2 . 6932 1 735 . 1 1 70 70 THR HG22 H 1 1.09 0.02 . 1 . . . . 453 THR HG2 . 6932 1 736 . 1 1 70 70 THR HG23 H 1 1.09 0.02 . 1 . . . . 453 THR HG2 . 6932 1 737 . 1 1 70 70 THR C C 13 173.96 0.1 . 1 . . . . 453 THR C . 6932 1 738 . 1 1 70 70 THR CA C 13 60.44 0.1 . 1 . . . . 453 THR CA . 6932 1 739 . 1 1 70 70 THR CB C 13 68.10 0.1 . 1 . . . . 453 THR CB . 6932 1 740 . 1 1 70 70 THR CG2 C 13 21.63 0.1 . 1 . . . . 453 THR CG2 . 6932 1 741 . 1 1 71 71 SER H H 1 7.48 0.02 . 1 . . . . 454 SER H . 6932 1 742 . 1 1 71 71 SER HA H 1 4.35 0.02 . 1 . . . . 454 SER HA . 6932 1 743 . 1 1 71 71 SER HB2 H 1 4.10 0.02 . 2 . . . . 454 SER HB2 . 6932 1 744 . 1 1 71 71 SER C C 13 172.44 0.1 . 1 . . . . 454 SER C . 6932 1 745 . 1 1 71 71 SER CA C 13 58.31 0.1 . 1 . . . . 454 SER CA . 6932 1 746 . 1 1 71 71 SER CB C 13 65.13 0.1 . 1 . . . . 454 SER CB . 6932 1 747 . 1 1 71 71 SER N N 15 118.13 0.1 . 1 . . . . 454 SER N . 6932 1 748 . 1 1 72 72 HIS H H 1 8.63 0.02 . 1 . . . . 455 HIS H . 6932 1 749 . 1 1 72 72 HIS HA H 1 3.88 0.02 . 1 . . . . 455 HIS HA . 6932 1 750 . 1 1 72 72 HIS HB2 H 1 2.98 0.02 . 2 . . . . 455 HIS HB2 . 6932 1 751 . 1 1 72 72 HIS HB3 H 1 3.11 0.02 . 2 . . . . 455 HIS HB3 . 6932 1 752 . 1 1 72 72 HIS HD1 H 1 7.00 0.02 . 1 . . . . 455 HIS HD1 . 6932 1 753 . 1 1 72 72 HIS C C 13 176.40 0.1 . 1 . . . . 455 HIS C . 6932 1 754 . 1 1 72 72 HIS CA C 13 62.63 0.1 . 1 . . . . 455 HIS CA . 6932 1 755 . 1 1 72 72 HIS CB C 13 30.99 0.1 . 1 . . . . 455 HIS CB . 6932 1 756 . 1 1 72 72 HIS N N 15 122.31 0.1 . 1 . . . . 455 HIS N . 6932 1 757 . 1 1 73 73 ALA H H 1 8.55 0.02 . 1 . . . . 456 ALA H . 6932 1 758 . 1 1 73 73 ALA HA H 1 3.53 0.02 . 1 . . . . 456 ALA HA . 6932 1 759 . 1 1 73 73 ALA HB1 H 1 1.28 0.02 . 1 . . . . 456 ALA HB . 6932 1 760 . 1 1 73 73 ALA HB2 H 1 1.28 0.02 . 1 . . . . 456 ALA HB . 6932 1 761 . 1 1 73 73 ALA HB3 H 1 1.28 0.02 . 1 . . . . 456 ALA HB . 6932 1 762 . 1 1 73 73 ALA C C 13 178.37 0.1 . 1 . . . . 456 ALA C . 6932 1 763 . 1 1 73 73 ALA CA C 13 55.97 0.1 . 1 . . . . 456 ALA CA . 6932 1 764 . 1 1 73 73 ALA CB C 13 19.91 0.1 . 1 . . . . 456 ALA CB . 6932 1 765 . 1 1 73 73 ALA N N 15 118.42 0.1 . 1 . . . . 456 ALA N . 6932 1 766 . 1 1 74 74 ALA H H 1 6.53 0.02 . 1 . . . . 457 ALA H . 6932 1 767 . 1 1 74 74 ALA HA H 1 3.56 0.02 . 1 . . . . 457 ALA HA . 6932 1 768 . 1 1 74 74 ALA HB1 H 1 1.29 0.02 . 1 . . . . 457 ALA HB . 6932 1 769 . 1 1 74 74 ALA HB2 H 1 1.29 0.02 . 1 . . . . 457 ALA HB . 6932 1 770 . 1 1 74 74 ALA HB3 H 1 1.29 0.02 . 1 . . . . 457 ALA HB . 6932 1 771 . 1 1 74 74 ALA C C 13 178.49 0.1 . 1 . . . . 457 ALA C . 6932 1 772 . 1 1 74 74 ALA CA C 13 55.26 0.1 . 1 . . . . 457 ALA CA . 6932 1 773 . 1 1 74 74 ALA CB C 13 20.58 0.1 . 1 . . . . 457 ALA CB . 6932 1 774 . 1 1 74 74 ALA N N 15 116.06 0.1 . 1 . . . . 457 ALA N . 6932 1 775 . 1 1 75 75 VAL H H 1 8.13 0.02 . 1 . . . . 458 VAL H . 6932 1 776 . 1 1 75 75 VAL HA H 1 3.39 0.02 . 1 . . . . 458 VAL HA . 6932 1 777 . 1 1 75 75 VAL HB H 1 1.87 0.02 . 1 . . . . 458 VAL HB . 6932 1 778 . 1 1 75 75 VAL HG11 H 1 0.80 0.02 . 2 . . . . 458 VAL HG1 . 6932 1 779 . 1 1 75 75 VAL HG12 H 1 0.80 0.02 . 2 . . . . 458 VAL HG1 . 6932 1 780 . 1 1 75 75 VAL HG13 H 1 0.80 0.02 . 2 . . . . 458 VAL HG1 . 6932 1 781 . 1 1 75 75 VAL HG21 H 1 0.91 0.02 . 2 . . . . 458 VAL HG2 . 6932 1 782 . 1 1 75 75 VAL HG22 H 1 0.91 0.02 . 2 . . . . 458 VAL HG2 . 6932 1 783 . 1 1 75 75 VAL HG23 H 1 0.91 0.02 . 2 . . . . 458 VAL HG2 . 6932 1 784 . 1 1 75 75 VAL C C 13 180.34 0.1 . 1 . . . . 458 VAL C . 6932 1 785 . 1 1 75 75 VAL CA C 13 66.21 0.1 . 1 . . . . 458 VAL CA . 6932 1 786 . 1 1 75 75 VAL CB C 13 32.32 0.1 . 1 . . . . 458 VAL CB . 6932 1 787 . 1 1 75 75 VAL CG1 C 13 20.95 0.1 . 1 . . . . 458 VAL CG1 . 6932 1 788 . 1 1 75 75 VAL CG2 C 13 22.50 0.1 . 1 . . . . 458 VAL CG2 . 6932 1 789 . 1 1 75 75 VAL N N 15 116.33 0.1 . 1 . . . . 458 VAL N . 6932 1 790 . 1 1 76 76 VAL H H 1 8.49 0.02 . 1 . . . . 459 VAL H . 6932 1 791 . 1 1 76 76 VAL HA H 1 3.46 0.02 . 1 . . . . 459 VAL HA . 6932 1 792 . 1 1 76 76 VAL HB H 1 1.50 0.02 . 1 . . . . 459 VAL HB . 6932 1 793 . 1 1 76 76 VAL HG11 H 1 0.72 002 . 2 . . . . 459 VAL HG1 . 6932 1 794 . 1 1 76 76 VAL HG12 H 1 0.72 002 . 2 . . . . 459 VAL HG1 . 6932 1 795 . 1 1 76 76 VAL HG13 H 1 0.72 002 . 2 . . . . 459 VAL HG1 . 6932 1 796 . 1 1 76 76 VAL HG21 H 1 0.31 0.02 . 2 . . . . 459 VAL HG2 . 6932 1 797 . 1 1 76 76 VAL HG22 H 1 0.31 0.02 . 2 . . . . 459 VAL HG2 . 6932 1 798 . 1 1 76 76 VAL HG23 H 1 0.31 0.02 . 2 . . . . 459 VAL HG2 . 6932 1 799 . 1 1 76 76 VAL C C 13 177.30 0.1 . 1 . . . . 459 VAL C . 6932 1 800 . 1 1 76 76 VAL CA C 13 65.95 0.1 . 1 . . . . 459 VAL CA . 6932 1 801 . 1 1 76 76 VAL CB C 13 31.19 0.1 . 1 . . . . 459 VAL CB . 6932 1 802 . 1 1 76 76 VAL CG1 C 13 21.26 0.1 . 1 . . . . 459 VAL CG1 . 6932 1 803 . 1 1 76 76 VAL CG2 C 13 21.75 0.1 . 1 . . . . 459 VAL CG2 . 6932 1 804 . 1 1 76 76 VAL N N 15 121.68 0.1 . 1 . . . . 459 VAL N . 6932 1 805 . 1 1 77 77 ALA H H 1 8.53 0.02 . 1 . . . . 460 ALA H . 6932 1 806 . 1 1 77 77 ALA HA H 1 3.79 0.02 . 1 . . . . 460 ALA HA . 6932 1 807 . 1 1 77 77 ALA HB1 H 1 1.41 0.02 . 1 . . . . 460 ALA HB . 6932 1 808 . 1 1 77 77 ALA HB2 H 1 1.41 0.02 . 1 . . . . 460 ALA HB . 6932 1 809 . 1 1 77 77 ALA HB3 H 1 1.41 0.02 . 1 . . . . 460 ALA HB . 6932 1 810 . 1 1 77 77 ALA C C 13 180.35 0.1 . 1 . . . . 460 ALA C . 6932 1 811 . 1 1 77 77 ALA CA C 13 56.19 0.1 . 1 . . . . 460 ALA CA . 6932 1 812 . 1 1 77 77 ALA CB C 13 18.26 0.1 . 1 . . . . 460 ALA CB . 6932 1 813 . 1 1 77 77 ALA N N 15 123.18 0.1 . 1 . . . . 460 ALA N . 6932 1 814 . 1 1 78 78 ARG H H 1 8.11 0.02 . 1 . . . . 461 ARG H . 6932 1 815 . 1 1 78 78 ARG HA H 1 4.34 0.02 . 1 . . . . 461 ARG HA . 6932 1 816 . 1 1 78 78 ARG HB2 H 1 1.72 0.02 . 2 . . . . 461 ARG HB2 . 6932 1 817 . 1 1 78 78 ARG HB3 H 1 2.06 0.02 . 2 . . . . 461 ARG HB3 . 6932 1 818 . 1 1 78 78 ARG HG2 H 1 1.65 0.02 . 2 . . . . 461 ARG HG2 . 6932 1 819 . 1 1 78 78 ARG HD2 H 1 3.22 0.02 . 2 . . . . 461 ARG HD2 . 6932 1 820 . 1 1 78 78 ARG HD3 H 1 3.64 0.02 . 2 . . . . 461 ARG HD3 . 6932 1 821 . 1 1 78 78 ARG C C 13 181.00 0.1 . 1 . . . . 461 ARG C . 6932 1 822 . 1 1 78 78 ARG CA C 13 60.32 0.1 . 1 . . . . 461 ARG CA . 6932 1 823 . 1 1 78 78 ARG CB C 13 31.04 0.1 . 1 . . . . 461 ARG CB . 6932 1 824 . 1 1 78 78 ARG CD C 13 44.38 0.1 . 1 . . . . 461 ARG CD . 6932 1 825 . 1 1 78 78 ARG N N 15 117.68 0.1 . 1 . . . . 461 ARG N . 6932 1 826 . 1 1 79 79 GLY H H 1 7.67 0.02 . 1 . . . . 462 GLY H . 6932 1 827 . 1 1 79 79 GLY HA2 H 1 3.89 0.02 . 2 . . . . 462 GLY HA2 . 6932 1 828 . 1 1 79 79 GLY C C 13 175.09 0.1 . 1 . . . . 462 GLY C . 6932 1 829 . 1 1 79 79 GLY CA C 13 46.83 0.1 . 1 . . . . 462 GLY CA . 6932 1 830 . 1 1 79 79 GLY N N 15 106.41 0.1 . 1 . . . . 462 GLY N . 6932 1 831 . 1 1 80 80 MET H H 1 7.63 0.02 . 1 . . . . 463 MET H . 6932 1 832 . 1 1 80 80 MET HA H 1 4.48 0.02 . 1 . . . . 463 MET HA . 6932 1 833 . 1 1 80 80 MET HB2 H 1 2.00 0.02 . 2 . . . . 463 MET HB2 . 6932 1 834 . 1 1 80 80 MET HB3 H 1 2.07 0.02 . 2 . . . . 463 MET HB3 . 6932 1 835 . 1 1 80 80 MET HG2 H 1 2.55 0.02 . 2 . . . . 463 MET HG2 . 6932 1 836 . 1 1 80 80 MET C C 13 176.49 0.1 . 1 . . . . 463 MET C . 6932 1 837 . 1 1 80 80 MET CA C 13 56.08 0.1 . 1 . . . . 463 MET CA . 6932 1 838 . 1 1 80 80 MET CB C 13 33.97 0.1 . 1 . . . . 463 MET CB . 6932 1 839 . 1 1 80 80 MET CG C 13 31.36 0.1 . 1 . . . . 463 MET CG . 6932 1 840 . 1 1 80 80 MET N N 15 116.97 0.1 . 1 . . . . 463 MET N . 6932 1 841 . 1 1 81 81 GLY H H 1 7.82 0.02 . 1 . . . . 464 GLY H . 6932 1 842 . 1 1 81 81 GLY HA2 H 1 4.01 0.02 . 2 . . . . 464 GLY HA2 . 6932 1 843 . 1 1 81 81 GLY HA3 H 1 3.80 0.02 . 2 . . . . 464 GLY HA3 . 6932 1 844 . 1 1 81 81 GLY C C 13 174.89 0.1 . 1 . . . . 464 GLY C . 6932 1 845 . 1 1 81 81 GLY CA C 13 46.43 0.1 . 1 . . . . 464 GLY CA . 6932 1 846 . 1 1 81 81 GLY N N 15 109.97 0.1 . 1 . . . . 464 GLY N . 6932 1 847 . 1 1 82 82 THR H H 1 8.00 0.02 . 1 . . . . 465 THR H . 6932 1 848 . 1 1 82 82 THR HA H 1 4.38 0.02 . 1 . . . . 465 THR HA . 6932 1 849 . 1 1 82 82 THR HB H 1 3.52 0.02 . 1 . . . . 465 THR HB . 6932 1 850 . 1 1 82 82 THR HG21 H 1 1.10 0.02 . 1 . . . . 465 THR HG2 . 6932 1 851 . 1 1 82 82 THR HG22 H 1 1.10 0.02 . 1 . . . . 465 THR HG2 . 6932 1 852 . 1 1 82 82 THR HG23 H 1 1.10 0.02 . 1 . . . . 465 THR HG2 . 6932 1 853 . 1 1 82 82 THR C C 13 172.89 0.1 . 1 . . . . 465 THR C . 6932 1 854 . 1 1 82 82 THR CA C 13 61.61 0.1 . 1 . . . . 465 THR CA . 6932 1 855 . 1 1 82 82 THR CB C 13 71.23 0.1 . 1 . . . . 465 THR CB . 6932 1 856 . 1 1 82 82 THR CG2 C 13 21.66 0.1 . 1 . . . . 465 THR CG2 . 6932 1 857 . 1 1 82 82 THR N N 15 118.20 0.1 . 1 . . . . 465 THR N . 6932 1 858 . 1 1 83 83 CYS H H 1 8.42 0.02 . 1 . . . . 466 CYS H . 6932 1 859 . 1 1 83 83 CYS HA H 1 3.94 0.02 . 1 . . . . 466 CYS HA . 6932 1 860 . 1 1 83 83 CYS HB2 H 1 2.55 0.02 . 2 . . . . 466 CYS HB2 . 6932 1 861 . 1 1 83 83 CYS HB3 H 1 2.87 0.02 . 2 . . . . 466 CYS HB3 . 6932 1 862 . 1 1 83 83 CYS C C 13 173.61 0.1 . 1 . . . . 466 CYS C . 6932 1 863 . 1 1 83 83 CYS CA C 13 58.83 0.1 . 1 . . . . 466 CYS CA . 6932 1 864 . 1 1 83 83 CYS CB C 13 27.53 0.1 . 1 . . . . 466 CYS CB . 6932 1 865 . 1 1 83 83 CYS N N 15 128.23 0.1 . 1 . . . . 466 CYS N . 6932 1 866 . 1 1 84 84 CYS H H 1 8.62 0.02 . 1 . . . . 467 CYS H . 6932 1 867 . 1 1 84 84 CYS HA H 1 5.36 0.02 . 1 . . . . 467 CYS HA . 6932 1 868 . 1 1 84 84 CYS HB2 H 1 2.25 0.02 . 2 . . . . 467 CYS HB2 . 6932 1 869 . 1 1 84 84 CYS HB3 H 1 2.59 0.02 . 2 . . . . 467 CYS HB3 . 6932 1 870 . 1 1 84 84 CYS C C 13 172.68 0.1 . 1 . . . . 467 CYS C . 6932 1 871 . 1 1 84 84 CYS CA C 13 56.61 0.1 . 1 . . . . 467 CYS CA . 6932 1 872 . 1 1 84 84 CYS CB C 13 29.48 0.1 . 1 . . . . 467 CYS CB . 6932 1 873 . 1 1 84 84 CYS N N 15 128.48 0.1 . 1 . . . . 467 CYS N . 6932 1 874 . 1 1 85 85 VAL H H 1 8.35 0.02 . 1 . . . . 468 VAL H . 6932 1 875 . 1 1 85 85 VAL HA H 1 4.74 0.02 . 1 . . . . 468 VAL HA . 6932 1 876 . 1 1 85 85 VAL HB H 1 1.78 0.02 . 1 . . . . 468 VAL HB . 6932 1 877 . 1 1 85 85 VAL HG11 H 1 0.74 0.02 . 2 . . . . 468 VAL HG1 . 6932 1 878 . 1 1 85 85 VAL HG12 H 1 0.74 0.02 . 2 . . . . 468 VAL HG1 . 6932 1 879 . 1 1 85 85 VAL HG13 H 1 0.74 0.02 . 2 . . . . 468 VAL HG1 . 6932 1 880 . 1 1 85 85 VAL HG21 H 1 0.69 0.02 . 2 . . . . 468 VAL HG2 . 6932 1 881 . 1 1 85 85 VAL HG22 H 1 0.69 0.02 . 2 . . . . 468 VAL HG2 . 6932 1 882 . 1 1 85 85 VAL HG23 H 1 0.69 0.02 . 2 . . . . 468 VAL HG2 . 6932 1 883 . 1 1 85 85 VAL C C 13 174.00 0.1 . 1 . . . . 468 VAL C . 6932 1 884 . 1 1 85 85 VAL CA C 13 61.61 0.1 . 1 . . . . 468 VAL CA . 6932 1 885 . 1 1 85 85 VAL CB C 13 33.52 0.1 . 1 . . . . 468 VAL CB . 6932 1 886 . 1 1 85 85 VAL CG1 C 13 22.25 0.1 . 1 . . . . 468 VAL CG1 . 6932 1 887 . 1 1 85 85 VAL CG2 C 13 21.75 0.1 . 1 . . . . 468 VAL CG2 . 6932 1 888 . 1 1 85 85 VAL N N 15 130.22 0.1 . 1 . . . . 468 VAL N . 6932 1 889 . 1 1 86 86 SER H H 1 7.81 0.02 . 1 . . . . 469 SER H . 6932 1 890 . 1 1 86 86 SER HA H 1 5.40 0.02 . 1 . . . . 469 SER HA . 6932 1 891 . 1 1 86 86 SER HB2 H 1 3.29 0.02 . 2 . . . . 469 SER HB2 . 6932 1 892 . 1 1 86 86 SER HB3 H 1 3.37 0.02 . 2 . . . . 469 SER HB3 . 6932 1 893 . 1 1 86 86 SER C C 13 174.83 0.1 . 1 . . . . 469 SER C . 6932 1 894 . 1 1 86 86 SER CA C 13 55.40 0.1 . 1 . . . . 469 SER CA . 6932 1 895 . 1 1 86 86 SER CB C 13 67.39 0.1 . 1 . . . . 469 SER CB . 6932 1 896 . 1 1 86 86 SER N N 15 117.93 0.1 . 1 . . . . 469 SER N . 6932 1 897 . 1 1 87 87 GLY H H 1 7.12 0.02 . 1 . . . . 470 GLY H . 6932 1 898 . 1 1 87 87 GLY HA2 H 1 3.81 0.02 . 2 . . . . 470 GLY HA2 . 6932 1 899 . 1 1 87 87 GLY HA3 H 1 3.17 0.02 . 2 . . . . 470 GLY HA3 . 6932 1 900 . 1 1 87 87 GLY C C 13 175.84 0.1 . 1 . . . . 470 GLY C . 6932 1 901 . 1 1 87 87 GLY CA C 13 47.92 0.1 . 1 . . . . 470 GLY CA . 6932 1 902 . 1 1 87 87 GLY N N 15 110.57 0.1 . 1 . . . . 470 GLY N . 6932 1 903 . 1 1 88 88 CYS H H 1 8.81 0.02 . 1 . . . . 471 CYS H . 6932 1 904 . 1 1 88 88 CYS HA H 1 4.64 0.02 . 1 . . . . 471 CYS HA . 6932 1 905 . 1 1 88 88 CYS HB2 H 1 2.17 0.02 . 2 . . . . 471 CYS HB2 . 6932 1 906 . 1 1 88 88 CYS HB3 H 1 2.85 0.02 . 2 . . . . 471 CYS HB3 . 6932 1 907 . 1 1 88 88 CYS C C 13 173.71 0.1 . 1 . . . . 471 CYS C . 6932 1 908 . 1 1 88 88 CYS CA C 13 58.39 0.1 . 1 . . . . 471 CYS CA . 6932 1 909 . 1 1 88 88 CYS CB C 13 25.62 0.1 . 1 . . . . 471 CYS CB . 6932 1 910 . 1 1 88 88 CYS N N 15 121.01 0.1 . 1 . . . . 471 CYS N . 6932 1 911 . 1 1 89 89 GLY H H 1 8.05 0.02 . 1 . . . . 472 GLY H . 6932 1 912 . 1 1 89 89 GLY HA2 H 1 4.13 0.02 . 2 . . . . 472 GLY HA2 . 6932 1 913 . 1 1 89 89 GLY HA3 H 1 3.85 0.02 . 2 . . . . 472 GLY HA3 . 6932 1 914 . 1 1 89 89 GLY C C 13 174.34 0.1 . 1 . . . . 472 GLY C . 6932 1 915 . 1 1 89 89 GLY CA C 13 46.96 0.1 . 1 . . . . 472 GLY CA . 6932 1 916 . 1 1 89 89 GLY N N 15 115.30 0.1 . 1 . . . . 472 GLY N . 6932 1 917 . 1 1 90 90 GLU H H 1 7.80 0.02 . 1 . . . . 473 GLU H . 6932 1 918 . 1 1 90 90 GLU HA H 1 4.21 0.02 . 1 . . . . 473 GLU HA . 6932 1 919 . 1 1 90 90 GLU HB2 H 1 1.97 0.02 . 2 . . . . 473 GLU HB2 . 6932 1 920 . 1 1 90 90 GLU HB3 H 1 2.21 0.02 . 2 . . . . 473 GLU HB3 . 6932 1 921 . 1 1 90 90 GLU HG2 H 1 2.41 0.02 . 2 . . . . 473 GLU HG2 . 6932 1 922 . 1 1 90 90 GLU C C 13 176.88 0.1 . 1 . . . . 473 GLU C . 6932 1 923 . 1 1 90 90 GLU CA C 13 58.28 0.1 . 1 . . . . 473 GLU CA . 6932 1 924 . 1 1 90 90 GLU CB C 13 30.03 0.1 . 1 . . . . 473 GLU CB . 6932 1 925 . 1 1 90 90 GLU CG C 13 38.06 0.1 . 1 . . . . 473 GLU CG . 6932 1 926 . 1 1 90 90 GLU N N 15 117.39 0.1 . 1 . . . . 473 GLU N . 6932 1 927 . 1 1 91 91 ILE H H 1 7.49 0.02 . 1 . . . . 474 ILE H . 6932 1 928 . 1 1 91 91 ILE HA H 1 4.36 0.02 . 1 . . . . 474 ILE HA . 6932 1 929 . 1 1 91 91 ILE HB H 1 1.99 0.02 . 1 . . . . 474 ILE HB . 6932 1 930 . 1 1 91 91 ILE HG12 H 1 0.89 0.02 . 2 . . . . 474 ILE HG12 . 6932 1 931 . 1 1 91 91 ILE HG21 H 1 0.54 0.02 . 1 . . . . 474 ILE HG2 . 6932 1 932 . 1 1 91 91 ILE HG22 H 1 0.54 0.02 . 1 . . . . 474 ILE HG2 . 6932 1 933 . 1 1 91 91 ILE HG23 H 1 0.54 0.02 . 1 . . . . 474 ILE HG2 . 6932 1 934 . 1 1 91 91 ILE HD11 H 1 0.47 0.02 . 1 . . . . 474 ILE HD1 . 6932 1 935 . 1 1 91 91 ILE HD12 H 1 0.47 0.02 . 1 . . . . 474 ILE HD1 . 6932 1 936 . 1 1 91 91 ILE HD13 H 1 0.47 0.02 . 1 . . . . 474 ILE HD1 . 6932 1 937 . 1 1 91 91 ILE C C 13 175.52 0.1 . 1 . . . . 474 ILE C . 6932 1 938 . 1 1 91 91 ILE CA C 13 63.11 0.1 . 1 . . . . 474 ILE CA . 6932 1 939 . 1 1 91 91 ILE CB C 13 38.73 0.1 . 1 . . . . 474 ILE CB . 6932 1 940 . 1 1 91 91 ILE CG1 C 13 31.23 0.1 . 1 . . . . 474 ILE CG1 . 6932 1 941 . 1 1 91 91 ILE CG2 C 13 18.17 0.1 . 1 . . . . 474 ILE CG2 . 6932 1 942 . 1 1 91 91 ILE CD1 C 13 14.20 0.1 . 1 . . . . 474 ILE CD1 . 6932 1 943 . 1 1 91 91 ILE N N 15 120.48 0.1 . 1 . . . . 474 ILE N . 6932 1 944 . 1 1 92 92 LYS H H 1 8.48 0.02 . 1 . . . . 475 LYS H . 6932 1 945 . 1 1 92 92 LYS HA H 1 4.77 0.02 . 1 . . . . 475 LYS HA . 6932 1 946 . 1 1 92 92 LYS HB2 H 1 1.84 0.02 . 2 . . . . 475 LYS HB2 . 6932 1 947 . 1 1 92 92 LYS HG2 H 1 1.38 0.02 . 2 . . . . 475 LYS HG2 . 6932 1 948 . 1 1 92 92 LYS HD2 H 1 1.70 0.02 . 2 . . . . 475 LYS HD2 . 6932 1 949 . 1 1 92 92 LYS HE2 H 1 3.00 0.02 . 2 . . . . 475 LYS HE2 . 6932 1 950 . 1 1 92 92 LYS C C 13 176.53 0.1 . 1 . . . . 475 LYS C . 6932 1 951 . 1 1 92 92 LYS CA C 13 54.51 0.1 . 1 . . . . 475 LYS CA . 6932 1 952 . 1 1 92 92 LYS CB C 13 33.88 0.1 . 1 . . . . 475 LYS CB . 6932 1 953 . 1 1 92 92 LYS CG C 13 24.59 0.1 . 1 . . . . 475 LYS CG . 6932 1 954 . 1 1 92 92 LYS CD C 13 29.65 0.1 . 1 . . . . 475 LYS CD . 6932 1 955 . 1 1 92 92 LYS CE C 13 42.29 0.1 . 1 . . . . 475 LYS CE . 6932 1 956 . 1 1 92 92 LYS N N 15 127.62 0.1 . 1 . . . . 475 LYS N . 6932 1 957 . 1 1 93 93 ILE H H 1 9.27 0.02 . 1 . . . . 476 ILE H . 6932 1 958 . 1 1 93 93 ILE HA H 1 4.34 0.02 . 1 . . . . 476 ILE HA . 6932 1 959 . 1 1 93 93 ILE HB H 1 1.72 0.02 . 1 . . . . 476 ILE HB . 6932 1 960 . 1 1 93 93 ILE HG12 H 1 1.65 0.02 . 2 . . . . 476 ILE HG12 . 6932 1 961 . 1 1 93 93 ILE HG21 H 1 0.86 0.02 . 1 . . . . 476 ILE HG2 . 6932 1 962 . 1 1 93 93 ILE HG22 H 1 0.86 0.02 . 1 . . . . 476 ILE HG2 . 6932 1 963 . 1 1 93 93 ILE HG23 H 1 0.86 0.02 . 1 . . . . 476 ILE HG2 . 6932 1 964 . 1 1 93 93 ILE HD11 H 1 0.75 0.02 . 1 . . . . 476 ILE HD1 . 6932 1 965 . 1 1 93 93 ILE HD12 H 1 0.75 0.02 . 1 . . . . 476 ILE HD1 . 6932 1 966 . 1 1 93 93 ILE HD13 H 1 0.75 0.02 . 1 . . . . 476 ILE HD1 . 6932 1 967 . 1 1 93 93 ILE C C 13 174.74 0.1 . 1 . . . . 476 ILE C . 6932 1 968 . 1 1 93 93 ILE CA C 13 62.00 0.1 . 1 . . . . 476 ILE CA . 6932 1 969 . 1 1 93 93 ILE CB C 13 40.16 0.1 . 1 . . . . 476 ILE CB . 6932 1 970 . 1 1 93 93 ILE CG1 C 13 29.39 0.1 . 1 . . . . 476 ILE CG1 . 6932 1 971 . 1 1 93 93 ILE CG2 C 13 16.84 0.1 . 1 . . . . 476 ILE CG2 . 6932 1 972 . 1 1 93 93 ILE CD1 C 13 13.93 0.1 . 1 . . . . 476 ILE CD1 . 6932 1 973 . 1 1 93 93 ILE N N 15 128.01 0.1 . 1 . . . . 476 ILE N . 6932 1 974 . 1 1 94 94 ASN H H 1 9.05 0.02 . 1 . . . . 477 ASN H . 6932 1 975 . 1 1 94 94 ASN HA H 1 4.91 0.02 . 1 . . . . 477 ASN HA . 6932 1 976 . 1 1 94 94 ASN HB2 H 1 2.66 0.02 . 2 . . . . 477 ASN HB2 . 6932 1 977 . 1 1 94 94 ASN HB3 H 1 3.15 0.02 . 2 . . . . 477 ASN HB3 . 6932 1 978 . 1 1 94 94 ASN C C 13 175.10 0.1 . 1 . . . . 477 ASN C . 6932 1 979 . 1 1 94 94 ASN CA C 13 51.72 0.1 . 1 . . . . 477 ASN CA . 6932 1 980 . 1 1 94 94 ASN CB C 13 38.01 0.1 . 1 . . . . 477 ASN CB . 6932 1 981 . 1 1 94 94 ASN N N 15 127.69 0.1 . 1 . . . . 477 ASN N . 6932 1 982 . 1 1 95 95 GLU H H 1 8.99 0.02 . 1 . . . . 478 GLU H . 6932 1 983 . 1 1 95 95 GLU HA H 1 3.65 0.02 . 1 . . . . 478 GLU HA . 6932 1 984 . 1 1 95 95 GLU HB2 H 1 2.05 0.02 . 2 . . . . 478 GLU HB2 . 6932 1 985 . 1 1 95 95 GLU HG2 H 1 2.30 0.02 . 2 . . . . 478 GLU HG2 . 6932 1 986 . 1 1 95 95 GLU C C 13 178.39 0.1 . 1 . . . . 478 GLU C . 6932 1 987 . 1 1 95 95 GLU CA C 13 60.34 0.1 . 1 . . . . 478 GLU CA . 6932 1 988 . 1 1 95 95 GLU CB C 13 30.14 0.1 . 1 . . . . 478 GLU CB . 6932 1 989 . 1 1 95 95 GLU CG C 13 37.60 0.1 . 1 . . . . 478 GLU CG . 6932 1 990 . 1 1 95 95 GLU N N 15 124.13 0.1 . 1 . . . . 478 GLU N . 6932 1 991 . 1 1 96 96 GLU H H 1 8.42 0.02 . 1 . . . . 479 GLU H . 6932 1 992 . 1 1 96 96 GLU HA H 1 4.03 0.02 . 1 . . . . 479 GLU HA . 6932 1 993 . 1 1 96 96 GLU HB2 H 1 2.05 0.02 . 2 . . . . 479 GLU HB2 . 6932 1 994 . 1 1 96 96 GLU HG2 H 1 2.29 0.02 . 2 . . . . 479 GLU HG2 . 6932 1 995 . 1 1 96 96 GLU C C 13 177.64 0.1 . 1 . . . . 479 GLU C . 6932 1 996 . 1 1 96 96 GLU CA C 13 59.20 0.1 . 1 . . . . 479 GLU CA . 6932 1 997 . 1 1 96 96 GLU CB C 13 29.40 0.1 . 1 . . . . 479 GLU CB . 6932 1 998 . 1 1 96 96 GLU CG C 13 36.94 0.1 . 1 . . . . 479 GLU CG . 6932 1 999 . 1 1 96 96 GLU N N 15 118.53 0.1 . 1 . . . . 479 GLU N . 6932 1 1000 . 1 1 97 97 ALA H H 1 7.34 0.02 . 1 . . . . 480 ALA H . 6932 1 1001 . 1 1 97 97 ALA HA H 1 4.14 0.02 . 1 . . . . 480 ALA HA . 6932 1 1002 . 1 1 97 97 ALA HB1 H 1 1.22 0.02 . 1 . . . . 480 ALA HB . 6932 1 1003 . 1 1 97 97 ALA HB2 H 1 1.22 0.02 . 1 . . . . 480 ALA HB . 6932 1 1004 . 1 1 97 97 ALA HB3 H 1 1.22 0.02 . 1 . . . . 480 ALA HB . 6932 1 1005 . 1 1 97 97 ALA C C 13 176.27 0.1 . 1 . . . . 480 ALA C . 6932 1 1006 . 1 1 97 97 ALA CA C 13 51.72 0.1 . 1 . . . . 480 ALA CA . 6932 1 1007 . 1 1 97 97 ALA CB C 13 19.45 0.1 . 1 . . . . 480 ALA CB . 6932 1 1008 . 1 1 97 97 ALA N N 15 119.63 0.1 . 1 . . . . 480 ALA N . 6932 1 1009 . 1 1 98 98 LYS H H 1 7.66 0.02 . 1 . . . . 481 LYS H . 6932 1 1010 . 1 1 98 98 LYS HA H 1 2.75 0.02 . 1 . . . . 481 LYS HA . 6932 1 1011 . 1 1 98 98 LYS HB2 H 1 1.57 0.02 . 2 . . . . 481 LYS HB2 . 6932 1 1012 . 1 1 98 98 LYS HB3 H 1 2.15 0.02 . 2 . . . . 481 LYS HB3 . 6932 1 1013 . 1 1 98 98 LYS HG2 H 1 1.36 0.02 . 2 . . . . 481 LYS HG2 . 6932 1 1014 . 1 1 98 98 LYS HD2 H 1 1.75 0.02 . 2 . . . . 481 LYS HD2 . 6932 1 1015 . 1 1 98 98 LYS HE2 H 1 3.10 0.02 . 2 . . . . 481 LYS HE2 . 6932 1 1016 . 1 1 98 98 LYS C C 13 174.44 0.1 . 1 . . . . 481 LYS C . 6932 1 1017 . 1 1 98 98 LYS CA C 13 57.11 0.1 . 1 . . . . 481 LYS CA . 6932 1 1018 . 1 1 98 98 LYS CB C 13 29.79 0.1 . 1 . . . . 481 LYS CB . 6932 1 1019 . 1 1 98 98 LYS CG C 13 25.21 0.1 . 1 . . . . 481 LYS CG . 6932 1 1020 . 1 1 98 98 LYS CD C 13 29.80 0.1 . 1 . . . . 481 LYS CD . 6932 1 1021 . 1 1 98 98 LYS CE C 13 42.46 0.1 . 1 . . . . 481 LYS CE . 6932 1 1022 . 1 1 98 98 LYS N N 15 114.49 0.1 . 1 . . . . 481 LYS N . 6932 1 1023 . 1 1 99 99 THR H H 1 7.39 0.02 . 1 . . . . 482 THR H . 6932 1 1024 . 1 1 99 99 THR HA H 1 5.52 0.02 . 1 . . . . 482 THR HA . 6932 1 1025 . 1 1 99 99 THR HB H 1 4.05 0.02 . 1 . . . . 482 THR HB . 6932 1 1026 . 1 1 99 99 THR HG21 H 1 1.00 0.02 . 1 . . . . 482 THR HG2 . 6932 1 1027 . 1 1 99 99 THR HG22 H 1 1.00 0.02 . 1 . . . . 482 THR HG2 . 6932 1 1028 . 1 1 99 99 THR HG23 H 1 1.00 0.02 . 1 . . . . 482 THR HG2 . 6932 1 1029 . 1 1 99 99 THR C C 13 174.48 0.1 . 1 . . . . 482 THR C . 6932 1 1030 . 1 1 99 99 THR CA C 13 59.33 0.1 . 1 . . . . 482 THR CA . 6932 1 1031 . 1 1 99 99 THR CB C 13 73.59 0.1 . 1 . . . . 482 THR CB . 6932 1 1032 . 1 1 99 99 THR CG2 C 13 21.16 0.1 . 1 . . . . 482 THR CG2 . 6932 1 1033 . 1 1 99 99 THR N N 15 107.64 0.1 . 1 . . . . 482 THR N . 6932 1 1034 . 1 1 100 100 PHE H H 1 9.29 0.02 . 1 . . . . 483 PHE H . 6932 1 1035 . 1 1 100 100 PHE HA H 1 5.63 0.02 . 1 . . . . 483 PHE HA . 6932 1 1036 . 1 1 100 100 PHE HB2 H 1 2.99 0.02 . 2 . . . . 483 PHE HB2 . 6932 1 1037 . 1 1 100 100 PHE HB3 H 1 3.08 0.02 . 2 . . . . 483 PHE HB3 . 6932 1 1038 . 1 1 100 100 PHE HD1 H 1 7.15 0.02 . 3 . . . . 483 PHE HD1 . 6932 1 1039 . 1 1 100 100 PHE HE1 H 1 6.87 0.02 . 3 . . . . 483 PHE HE1 . 6932 1 1040 . 1 1 100 100 PHE HZ H 1 6.40 0.02 . 1 . . . . 483 PHE HZ . 6932 1 1041 . 1 1 100 100 PHE C C 13 171.75 0.1 . 1 . . . . 483 PHE C . 6932 1 1042 . 1 1 100 100 PHE CA C 13 56.63 0.1 . 1 . . . . 483 PHE CA . 6932 1 1043 . 1 1 100 100 PHE CB C 13 43.15 0.1 . 1 . . . . 483 PHE CB . 6932 1 1044 . 1 1 100 100 PHE CD1 C 13 132.23 0.1 . 1 . . . . 483 PHE CD1 . 6932 1 1045 . 1 1 100 100 PHE CE1 C 13 130.68 0.1 . 1 . . . . 483 PHE CE1 . 6932 1 1046 . 1 1 100 100 PHE CZ C 13 128.81 0.1 . 1 . . . . 483 PHE CZ . 6932 1 1047 . 1 1 100 100 PHE N N 15 115.41 0.1 . 1 . . . . 483 PHE N . 6932 1 1048 . 1 1 101 101 GLU H H 1 8.83 0.02 . 1 . . . . 484 GLU H . 6932 1 1049 . 1 1 101 101 GLU HA H 1 5.55 0.02 . 1 . . . . 484 GLU HA . 6932 1 1050 . 1 1 101 101 GLU HB2 H 1 1.93 0.02 . 2 . . . . 484 GLU HB2 . 6932 1 1051 . 1 1 101 101 GLU HB3 H 1 2.11 0.02 . 2 . . . . 484 GLU HB3 . 6932 1 1052 . 1 1 101 101 GLU HG2 H 1 2.20 0.02 . 2 . . . . 484 GLU HG2 . 6932 1 1053 . 1 1 101 101 GLU C C 13 175.72 0.1 . 1 . . . . 484 GLU C . 6932 1 1054 . 1 1 101 101 GLU CA C 13 53.95 0.1 . 1 . . . . 484 GLU CA . 6932 1 1055 . 1 1 101 101 GLU CB C 13 33.38 0.1 . 1 . . . . 484 GLU CB . 6932 1 1056 . 1 1 101 101 GLU CG C 13 36.55 0.1 . 1 . . . . 484 GLU CG . 6932 1 1057 . 1 1 101 101 GLU N N 15 121.60 0.1 . 1 . . . . 484 GLU N . 6932 1 1058 . 1 1 102 102 LEU H H 1 8.85 0.02 . 1 . . . . 485 LEU H . 6932 1 1059 . 1 1 102 102 LEU HA H 1 4.69 0.02 . 1 . . . . 485 LEU HA . 6932 1 1060 . 1 1 102 102 LEU HB2 H 1 1.86 0.02 . 2 . . . . 485 LEU HB2 . 6932 1 1061 . 1 1 102 102 LEU HG H 1 1.57 0.02 . 1 . . . . 485 LEU HG . 6932 1 1062 . 1 1 102 102 LEU HD11 H 1 0.72 0.02 . 2 . . . . 485 LEU HD1 . 6932 1 1063 . 1 1 102 102 LEU HD12 H 1 0.72 0.02 . 2 . . . . 485 LEU HD1 . 6932 1 1064 . 1 1 102 102 LEU HD13 H 1 0.72 0.02 . 2 . . . . 485 LEU HD1 . 6932 1 1065 . 1 1 102 102 LEU HD21 H 1 0.96 0.02 . 2 . . . . 485 LEU HD2 . 6932 1 1066 . 1 1 102 102 LEU HD22 H 1 0.96 0.02 . 2 . . . . 485 LEU HD2 . 6932 1 1067 . 1 1 102 102 LEU HD23 H 1 0.96 0.02 . 2 . . . . 485 LEU HD2 . 6932 1 1068 . 1 1 102 102 LEU C C 13 176.39 0.1 . 1 . . . . 485 LEU C . 6932 1 1069 . 1 1 102 102 LEU CA C 13 55.56 0.1 . 1 . . . . 485 LEU CA . 6932 1 1070 . 1 1 102 102 LEU CB C 13 45.61 0.1 . 1 . . . . 485 LEU CB . 6932 1 1071 . 1 1 102 102 LEU CG C 13 26.50 0.1 . 1 . . . . 485 LEU CG . 6932 1 1072 . 1 1 102 102 LEU CD1 C 13 23.25 0.1 . 1 . . . . 485 LEU CD1 . 6932 1 1073 . 1 1 102 102 LEU CD2 C 13 23.47 0.1 . 1 . . . . 485 LEU CD2 . 6932 1 1074 . 1 1 102 102 LEU N N 15 124.09 0.1 . 1 . . . . 485 LEU N . 6932 1 1075 . 1 1 103 103 GLY H H 1 9.12 0.02 . 1 . . . . 486 GLY H . 6932 1 1076 . 1 1 103 103 GLY HA2 H 1 4.17 0.02 . 2 . . . . 486 GLY HA2 . 6932 1 1077 . 1 1 103 103 GLY HA3 H 1 3.98 0.02 . 2 . . . . 486 GLY HA3 . 6932 1 1078 . 1 1 103 103 GLY C C 13 175.27 0.1 . 1 . . . . 486 GLY C . 6932 1 1079 . 1 1 103 103 GLY CA C 13 47.36 0.1 . 1 . . . . 486 GLY CA . 6932 1 1080 . 1 1 103 103 GLY N N 15 115.68 0.1 . 1 . . . . 486 GLY N . 6932 1 1081 . 1 1 104 104 GLY H H 1 9.01 0.02 . 1 . . . . 487 GLY H . 6932 1 1082 . 1 1 104 104 GLY HA2 H 1 4.04 0.02 . 2 . . . . 487 GLY HA2 . 6932 1 1083 . 1 1 104 104 GLY HA3 H 1 3.53 0.02 . 2 . . . . 487 GLY HA3 . 6932 1 1084 . 1 1 104 104 GLY C C 13 173.49 0.1 . 1 . . . . 487 GLY C . 6932 1 1085 . 1 1 104 104 GLY CA C 13 44.66 0.1 . 1 . . . . 487 GLY CA . 6932 1 1086 . 1 1 104 104 GLY N N 15 106.69 0.1 . 1 . . . . 487 GLY N . 6932 1 1087 . 1 1 105 105 HIS H H 1 7.79 0.02 . 1 . . . . 488 HIS H . 6932 1 1088 . 1 1 105 105 HIS HA H 1 4.56 0.02 . 1 . . . . 488 HIS HA . 6932 1 1089 . 1 1 105 105 HIS HB2 H 1 2.52 0.02 . 2 . . . . 488 HIS HB2 . 6932 1 1090 . 1 1 105 105 HIS HB3 H 1 3.09 0.02 . 2 . . . . 488 HIS HB3 . 6932 1 1091 . 1 1 105 105 HIS HD1 H 1 6.72 0.02 . 1 . . . . 488 HIS HD1 . 6932 1 1092 . 1 1 105 105 HIS C C 13 173.75 0.1 . 1 . . . . 488 HIS C . 6932 1 1093 . 1 1 105 105 HIS CA C 13 55.00 0.1 . 1 . . . . 488 HIS CA . 6932 1 1094 . 1 1 105 105 HIS CB C 13 33.62 0.1 . 1 . . . . 488 HIS CB . 6932 1 1095 . 1 1 105 105 HIS N N 15 121.02 0.1 . 1 . . . . 488 HIS N . 6932 1 1096 . 1 1 106 106 THR H H 1 8.24 0.02 . 1 . . . . 489 THR H . 6932 1 1097 . 1 1 106 106 THR HA H 1 4.70 0.02 . 1 . . . . 489 THR HA . 6932 1 1098 . 1 1 106 106 THR HB H 1 3.73 0.02 . 1 . . . . 489 THR HB . 6932 1 1099 . 1 1 106 106 THR HG21 H 1 0.99 0.02 . 1 . . . . 489 THR HG2 . 6932 1 1100 . 1 1 106 106 THR HG22 H 1 0.99 0.02 . 1 . . . . 489 THR HG2 . 6932 1 1101 . 1 1 106 106 THR HG23 H 1 0.99 0.02 . 1 . . . . 489 THR HG2 . 6932 1 1102 . 1 1 106 106 THR C C 13 173.28 0.1 . 1 . . . . 489 THR C . 6932 1 1103 . 1 1 106 106 THR CA C 13 62.18 0.1 . 1 . . . . 489 THR CA . 6932 1 1104 . 1 1 106 106 THR CB C 13 69.71 0.1 . 1 . . . . 489 THR CB . 6932 1 1105 . 1 1 106 106 THR CG2 C 13 20.97 0.1 . 1 . . . . 489 THR CG2 . 6932 1 1106 . 1 1 106 106 THR N N 15 118.19 0.1 . 1 . . . . 489 THR N . 6932 1 1107 . 1 1 107 107 PHE H H 1 9.28 0.02 . 1 . . . . 490 PHE H . 6932 1 1108 . 1 1 107 107 PHE HA H 1 4.45 0.02 . 1 . . . . 490 PHE HA . 6932 1 1109 . 1 1 107 107 PHE HB2 H 1 1.59 0.02 . 2 . . . . 490 PHE HB2 . 6932 1 1110 . 1 1 107 107 PHE HB3 H 1 2.33 0.02 . 2 . . . . 490 PHE HB3 . 6932 1 1111 . 1 1 107 107 PHE HD1 H 1 6.62 0.02 . 3 . . . . 490 PHE HD1 . 6932 1 1112 . 1 1 107 107 PHE HE1 H 1 7.26 0.02 . 3 . . . . 490 PHE HE1 . 6932 1 1113 . 1 1 107 107 PHE HZ H 1 6.80 0.02 . 1 . . . . 490 PHE HZ . 6932 1 1114 . 1 1 107 107 PHE C C 13 173.25 0.1 . 1 . . . . 490 PHE C . 6932 1 1115 . 1 1 107 107 PHE CA C 13 57.19 0.1 . 1 . . . . 490 PHE CA . 6932 1 1116 . 1 1 107 107 PHE CB C 13 41.49 0.1 . 1 . . . . 490 PHE CB . 6932 1 1117 . 1 1 107 107 PHE CD1 C 13 132.54 0.1 . 1 . . . . 490 PHE CD1 . 6932 1 1118 . 1 1 107 107 PHE CE1 C 13 130.68 0.1 . 1 . . . . 490 PHE CE1 . 6932 1 1119 . 1 1 107 107 PHE CZ C 13 127.88 0.1 . 1 . . . . 490 PHE CZ . 6932 1 1120 . 1 1 107 107 PHE N N 15 127.59 0.1 . 1 . . . . 490 PHE N . 6932 1 1121 . 1 1 108 108 ALA H H 1 8.92 0.02 . 1 . . . . 491 ALA H . 6932 1 1122 . 1 1 108 108 ALA HA H 1 5.04 0.02 . 1 . . . . 491 ALA HA . 6932 1 1123 . 1 1 108 108 ALA HB1 H 1 1.42 0.02 . 1 . . . . 491 ALA HB . 6932 1 1124 . 1 1 108 108 ALA HB2 H 1 1.42 0.02 . 1 . . . . 491 ALA HB . 6932 1 1125 . 1 1 108 108 ALA HB3 H 1 1.42 0.02 . 1 . . . . 491 ALA HB . 6932 1 1126 . 1 1 108 108 ALA C C 13 176.70 0.1 . 1 . . . . 491 ALA C . 6932 1 1127 . 1 1 108 108 ALA CA C 13 49.51 0.1 . 1 . . . . 491 ALA CA . 6932 1 1128 . 1 1 108 108 ALA CB C 13 21.76 0.1 . 1 . . . . 491 ALA CB . 6932 1 1129 . 1 1 108 108 ALA N N 15 125.99 0.1 . 1 . . . . 491 ALA N . 6932 1 1130 . 1 1 109 109 GLU H H 1 7.83 0.02 . 1 . . . . 492 GLU H . 6932 1 1131 . 1 1 109 109 GLU HA H 1 3.93 0.02 . 1 . . . . 492 GLU HA . 6932 1 1132 . 1 1 109 109 GLU HB2 H 1 2.15 0.02 . 2 . . . . 492 GLU HB2 . 6932 1 1133 . 1 1 109 109 GLU HG2 H 1 1.84 0.02 . 2 . . . . 492 GLU HG2 . 6932 1 1134 . 1 1 109 109 GLU HG3 H 1 2.17 0.02 . 2 . . . . 492 GLU HG3 . 6932 1 1135 . 1 1 109 109 GLU C C 13 177.66 0.1 . 1 . . . . 492 GLU C . 6932 1 1136 . 1 1 109 109 GLU CA C 13 57.76 0.1 . 1 . . . . 492 GLU CA . 6932 1 1137 . 1 1 109 109 GLU CB C 13 31.05 0.1 . 1 . . . . 492 GLU CB . 6932 1 1138 . 1 1 109 109 GLU CG C 13 38.52 0.1 . 1 . . . . 492 GLU CG . 6932 1 1139 . 1 1 109 109 GLU N N 15 118.93 0.1 . 1 . . . . 492 GLU N . 6932 1 1140 . 1 1 110 110 GLY H H 1 9.70 0.02 . 1 . . . . 493 GLY H . 6932 1 1141 . 1 1 110 110 GLY HA2 H 1 3.04 0.02 . 2 . . . . 493 GLY HA2 . 6932 1 1142 . 1 1 110 110 GLY HA3 H 1 4.43 0.02 . 2 . . . . 493 GLY HA3 . 6932 1 1143 . 1 1 110 110 GLY C C 13 173.61 0.1 . 1 . . . . 493 GLY C . 6932 1 1144 . 1 1 110 110 GLY CA C 13 44.81 0.1 . 1 . . . . 493 GLY CA . 6932 1 1145 . 1 1 110 110 GLY N N 15 116.92 0.1 . 1 . . . . 493 GLY N . 6932 1 1146 . 1 1 111 111 ASP H H 1 8.30 0.02 . 1 . . . . 494 ASP H . 6932 1 1147 . 1 1 111 111 ASP HA H 1 4.75 0.02 . 1 . . . . 494 ASP HA . 6932 1 1148 . 1 1 111 111 ASP HB2 H 1 2.85 0.02 . 2 . . . . 494 ASP HB2 . 6932 1 1149 . 1 1 111 111 ASP HB3 H 1 3.09 0.02 . 2 . . . . 494 ASP HB3 . 6932 1 1150 . 1 1 111 111 ASP C C 13 175.98 0.1 . 1 . . . . 494 ASP C . 6932 1 1151 . 1 1 111 111 ASP CA C 13 54.79 0.1 . 1 . . . . 494 ASP CA . 6932 1 1152 . 1 1 111 111 ASP CB C 13 41.88 0.1 . 1 . . . . 494 ASP CB . 6932 1 1153 . 1 1 111 111 ASP N N 15 122.28 0.1 . 1 . . . . 494 ASP N . 6932 1 1154 . 1 1 112 112 TYR H H 1 8.60 0.02 . 1 . . . . 495 TYR H . 6932 1 1155 . 1 1 112 112 TYR HA H 1 5.04 0.02 . 1 . . . . 495 TYR HA . 6932 1 1156 . 1 1 112 112 TYR HB2 H 1 2.42 0.02 . 2 . . . . 495 TYR HB2 . 6932 1 1157 . 1 1 112 112 TYR HB3 H 1 2.78 0.02 . 2 . . . . 495 TYR HB3 . 6932 1 1158 . 1 1 112 112 TYR HD1 H 1 6.97 0.02 . 3 . . . . 495 TYR HD1 . 6932 1 1159 . 1 1 112 112 TYR HE1 H 1 6.72 0.02 . 3 . . . . 495 TYR HE1 . 6932 1 1160 . 1 1 112 112 TYR C C 13 177.42 0.1 . 1 . . . . 495 TYR C . 6932 1 1161 . 1 1 112 112 TYR CA C 13 59.35 0.1 . 1 . . . . 495 TYR CA . 6932 1 1162 . 1 1 112 112 TYR CB C 13 40.40 0.1 . 1 . . . . 495 TYR CB . 6932 1 1163 . 1 1 112 112 TYR CD1 C 13 132.85 0.1 . 1 . . . . 495 TYR CD1 . 6932 1 1164 . 1 1 112 112 TYR CE1 C 13 118.25 0.1 . 1 . . . . 495 TYR CE1 . 6932 1 1165 . 1 1 112 112 TYR N N 15 117.32 0.1 . 1 . . . . 495 TYR N . 6932 1 1166 . 1 1 113 113 ILE H H 1 8.68 0.02 . 1 . . . . 496 ILE H . 6932 1 1167 . 1 1 113 113 ILE HA H 1 4.79 0.02 . 1 . . . . 496 ILE HA . 6932 1 1168 . 1 1 113 113 ILE HB H 1 1.73 0.02 . 1 . . . . 496 ILE HB . 6932 1 1169 . 1 1 113 113 ILE HG12 H 1 1.18 0.02 . 2 . . . . 496 ILE HG12 . 6932 1 1170 . 1 1 113 113 ILE HG21 H 1 0.44 0.02 . 1 . . . . 496 ILE HG2 . 6932 1 1171 . 1 1 113 113 ILE HG22 H 1 0.44 0.02 . 1 . . . . 496 ILE HG2 . 6932 1 1172 . 1 1 113 113 ILE HG23 H 1 0.44 0.02 . 1 . . . . 496 ILE HG2 . 6932 1 1173 . 1 1 113 113 ILE HD11 H 1 0.26 0.02 . 1 . . . . 496 ILE HD1 . 6932 1 1174 . 1 1 113 113 ILE HD12 H 1 0.26 0.02 . 1 . . . . 496 ILE HD1 . 6932 1 1175 . 1 1 113 113 ILE HD13 H 1 0.26 0.02 . 1 . . . . 496 ILE HD1 . 6932 1 1176 . 1 1 113 113 ILE C C 13 173.55 0.1 . 1 . . . . 496 ILE C . 6932 1 1177 . 1 1 113 113 ILE CA C 13 60.47 0.1 . 1 . . . . 496 ILE CA . 6932 1 1178 . 1 1 113 113 ILE CB C 13 42.56 0.1 . 1 . . . . 496 ILE CB . 6932 1 1179 . 1 1 113 113 ILE CG1 C 13 26.46 0.1 . 1 . . . . 496 ILE CG1 . 6932 1 1180 . 1 1 113 113 ILE CG2 C 13 17.74 0.1 . 1 . . . . 496 ILE CG2 . 6932 1 1181 . 1 1 113 113 ILE CD1 C 13 14.55 0.1 . 1 . . . . 496 ILE CD1 . 6932 1 1182 . 1 1 113 113 ILE N N 15 119.17 0.1 . 1 . . . . 496 ILE N . 6932 1 1183 . 1 1 114 114 SER H H 1 8.46 0.02 . 1 . . . . 497 SER H . 6932 1 1184 . 1 1 114 114 SER HA H 1 5.67 0.02 . 1 . . . . 497 SER HA . 6932 1 1185 . 1 1 114 114 SER HB2 H 1 3.52 0.02 . 2 . . . . 497 SER HB2 . 6932 1 1186 . 1 1 114 114 SER HB3 H 1 3.75 0.02 . 2 . . . . 497 SER HB3 . 6932 1 1187 . 1 1 114 114 SER C C 13 172.19 0.1 . 1 . . . . 497 SER C . 6932 1 1188 . 1 1 114 114 SER CA C 13 57.13 0.1 . 1 . . . . 497 SER CA . 6932 1 1189 . 1 1 114 114 SER CB C 13 66.29 0.1 . 1 . . . . 497 SER CB . 6932 1 1190 . 1 1 114 114 SER N N 15 113.07 0.1 . 1 . . . . 497 SER N . 6932 1 1191 . 1 1 115 115 LEU H H 1 9.49 0.02 . 1 . . . . 498 LEU H . 6932 1 1192 . 1 1 115 115 LEU HA H 1 5.12 0.02 . 1 . . . . 498 LEU HA . 6932 1 1193 . 1 1 115 115 LEU HB2 H 1 1.16 0.02 . 2 . . . . 498 LEU HB2 . 6932 1 1194 . 1 1 115 115 LEU HB3 H 1 1.79 0.02 . 2 . . . . 498 LEU HB3 . 6932 1 1195 . 1 1 115 115 LEU HG H 1 1.44 0.02 . 1 . . . . 498 LEU HG . 6932 1 1196 . 1 1 115 115 LEU HD11 H 1 0.63 0.02 . 2 . . . . 498 LEU HD1 . 6932 1 1197 . 1 1 115 115 LEU HD12 H 1 0.63 0.02 . 2 . . . . 498 LEU HD1 . 6932 1 1198 . 1 1 115 115 LEU HD13 H 1 0.63 0.02 . 2 . . . . 498 LEU HD1 . 6932 1 1199 . 1 1 115 115 LEU HD21 H 1 0.79 0.02 . 2 . . . . 498 LEU HD2 . 6932 1 1200 . 1 1 115 115 LEU HD22 H 1 0.79 0.02 . 2 . . . . 498 LEU HD2 . 6932 1 1201 . 1 1 115 115 LEU HD23 H 1 0.79 0.02 . 2 . . . . 498 LEU HD2 . 6932 1 1202 . 1 1 115 115 LEU C C 13 175.75 0.1 . 1 . . . . 498 LEU C . 6932 1 1203 . 1 1 115 115 LEU CA C 13 52.93 0.1 . 1 . . . . 498 LEU CA . 6932 1 1204 . 1 1 115 115 LEU CB C 13 47.42 0.1 . 1 . . . . 498 LEU CB . 6932 1 1205 . 1 1 115 115 LEU CG C 13 27.20 0.1 . 1 . . . . 498 LEU CG . 6932 1 1206 . 1 1 115 115 LEU CD1 C 13 26.36 0.1 . 1 . . . . 498 LEU CD1 . 6932 1 1207 . 1 1 115 115 LEU CD2 C 13 25.80 0.1 . 1 . . . . 498 LEU CD2 . 6932 1 1208 . 1 1 115 115 LEU N N 15 121.59 0.1 . 1 . . . . 498 LEU N . 6932 1 1209 . 1 1 116 116 ASP H H 1 8.55 0.02 . 1 . . . . 499 ASP H . 6932 1 1210 . 1 1 116 116 ASP HA H 1 5.19 0.02 . 1 . . . . 499 ASP HA . 6932 1 1211 . 1 1 116 116 ASP HB2 H 1 2.46 0.02 . 2 . . . . 499 ASP HB2 . 6932 1 1212 . 1 1 116 116 ASP HB3 H 1 3.25 0.02 . 2 . . . . 499 ASP HB3 . 6932 1 1213 . 1 1 116 116 ASP C C 13 177.07 0.1 . 1 . . . . 499 ASP C . 6932 1 1214 . 1 1 116 116 ASP CA C 13 52.82 0.1 . 1 . . . . 499 ASP CA . 6932 1 1215 . 1 1 116 116 ASP CB C 13 42.95 0.1 . 1 . . . . 499 ASP CB . 6932 1 1216 . 1 1 116 116 ASP N N 15 119.07 0.1 . 1 . . . . 499 ASP N . 6932 1 1217 . 1 1 117 117 GLY H H 1 9.21 0.02 . 1 . . . . 500 GLY H . 6932 1 1218 . 1 1 117 117 GLY HA2 H 1 4.43 0.02 . 2 . . . . 500 GLY HA2 . 6932 1 1219 . 1 1 117 117 GLY HA3 H 1 3.80 0.02 . 2 . . . . 500 GLY HA3 . 6932 1 1220 . 1 1 117 117 GLY C C 13 174.22 0.1 . 1 . . . . 500 GLY C . 6932 1 1221 . 1 1 117 117 GLY CA C 13 46.58 0.1 . 1 . . . . 500 GLY CA . 6932 1 1222 . 1 1 117 117 GLY N N 15 115.31 0.1 . 1 . . . . 500 GLY N . 6932 1 1223 . 1 1 118 118 SER H H 1 8.80 0.02 . 1 . . . . 501 SER H . 6932 1 1224 . 1 1 118 118 SER HA H 1 4.54 0.02 . 1 . . . . 501 SER HA . 6932 1 1225 . 1 1 118 118 SER HB2 H 1 3.96 0.02 . 2 . . . . 501 SER HB2 . 6932 1 1226 . 1 1 118 118 SER HB3 H 1 4.21 0.02 . 2 . . . . 501 SER HB3 . 6932 1 1227 . 1 1 118 118 SER C C 13 176.14 0.1 . 1 . . . . 501 SER C . 6932 1 1228 . 1 1 118 118 SER CA C 13 60.99 0.1 . 1 . . . . 501 SER CA . 6932 1 1229 . 1 1 118 118 SER CB C 13 62.90 0.1 . 1 . . . . 501 SER CB . 6932 1 1230 . 1 1 118 118 SER N N 15 113.72 0.1 . 1 . . . . 501 SER N . 6932 1 1231 . 1 1 119 119 THR H H 1 7.32 0.02 . 1 . . . . 502 THR H . 6932 1 1232 . 1 1 119 119 THR HA H 1 4.51 0.02 . 1 . . . . 502 THR HA . 6932 1 1233 . 1 1 119 119 THR HB H 1 4.31 0.02 . 1 . . . . 502 THR HB . 6932 1 1234 . 1 1 119 119 THR HG21 H 1 1.19 0.02 . 1 . . . . 502 THR HG2 . 6932 1 1235 . 1 1 119 119 THR HG22 H 1 1.19 0.02 . 1 . . . . 502 THR HG2 . 6932 1 1236 . 1 1 119 119 THR HG23 H 1 1.19 0.02 . 1 . . . . 502 THR HG2 . 6932 1 1237 . 1 1 119 119 THR C C 13 176.29 0.1 . 1 . . . . 502 THR C . 6932 1 1238 . 1 1 119 119 THR CA C 13 61.43 0.1 . 1 . . . . 502 THR CA . 6932 1 1239 . 1 1 119 119 THR CB C 13 71.18 0.1 . 1 . . . . 502 THR CB . 6932 1 1240 . 1 1 119 119 THR CG2 C 13 21.16 0.1 . 1 . . . . 502 THR CG2 . 6932 1 1241 . 1 1 119 119 THR N N 15 108.11 0.1 . 1 . . . . 502 THR N . 6932 1 1242 . 1 1 120 120 GLY H H 1 8.88 0.02 . 1 . . . . 503 GLY H . 6932 1 1243 . 1 1 120 120 GLY HA2 H 1 4.37 0.02 . 2 . . . . 503 GLY HA2 . 6932 1 1244 . 1 1 120 120 GLY HA3 H 1 3.29 0.02 . 2 . . . . 503 GLY HA3 . 6932 1 1245 . 1 1 120 120 GLY C C 13 172.52 0.1 . 1 . . . . 503 GLY C . 6932 1 1246 . 1 1 120 120 GLY CA C 13 45.18 0.1 . 1 . . . . 503 GLY CA . 6932 1 1247 . 1 1 120 120 GLY N N 15 112.47 0.1 . 1 . . . . 503 GLY N . 6932 1 1248 . 1 1 121 121 LYS H H 1 7.39 0.02 . 1 . . . . 504 LYS H . 6932 1 1249 . 1 1 121 121 LYS HA H 1 4.35 0.02 . 1 . . . . 504 LYS HA . 6932 1 1250 . 1 1 121 121 LYS HB2 H 1 1.72 0.02 . 2 . . . . 504 LYS HB2 . 6932 1 1251 . 1 1 121 121 LYS HB3 H 1 1.30 0.02 . 2 . . . . 504 LYS HB3 . 6932 1 1252 . 1 1 121 121 LYS HG2 H 1 1.46 0.02 . 2 . . . . 504 LYS HG2 . 6932 1 1253 . 1 1 121 121 LYS HD2 H 1 1.66 0.02 . 2 . . . . 504 LYS HD2 . 6932 1 1254 . 1 1 121 121 LYS HE2 H 1 2.97 0.02 . 2 . . . . 504 LYS HE2 . 6932 1 1255 . 1 1 121 121 LYS C C 13 173.76 0.1 . 1 . . . . 504 LYS C . 6932 1 1256 . 1 1 121 121 LYS CA C 13 57.17 0.1 . 1 . . . . 504 LYS CA . 6932 1 1257 . 1 1 121 121 LYS CB C 13 35.33 0.1 . 1 . . . . 504 LYS CB . 6932 1 1258 . 1 1 121 121 LYS CG C 13 26.64 0.1 . 1 . . . . 504 LYS CG . 6932 1 1259 . 1 1 121 121 LYS CD C 13 28.94 0.1 . 1 . . . . 504 LYS CD . 6932 1 1260 . 1 1 121 121 LYS CE C 13 44.91 0.1 . 1 . . . . 504 LYS CE . 6932 1 1261 . 1 1 121 121 LYS N N 15 118.71 0.1 . 1 . . . . 504 LYS N . 6932 1 1262 . 1 1 122 122 ILE H H 1 7.65 0.02 . 1 . . . . 505 ILE H . 6932 1 1263 . 1 1 122 122 ILE HA H 1 4.43 0.02 . 1 . . . . 505 ILE HA . 6932 1 1264 . 1 1 122 122 ILE HB H 1 1.05 0.02 . 1 . . . . 505 ILE HB . 6932 1 1265 . 1 1 122 122 ILE HG12 H 1 1.45 0.02 . 2 . . . . 505 ILE HG12 . 6932 1 1266 . 1 1 122 122 ILE HG21 H 1 0.63 0.02 . 1 . . . . 505 ILE HG2 . 6932 1 1267 . 1 1 122 122 ILE HG22 H 1 0.63 0.02 . 1 . . . . 505 ILE HG2 . 6932 1 1268 . 1 1 122 122 ILE HG23 H 1 0.63 0.02 . 1 . . . . 505 ILE HG2 . 6932 1 1269 . 1 1 122 122 ILE C C 13 174.25 0.1 . 1 . . . . 505 ILE C . 6932 1 1270 . 1 1 122 122 ILE CA C 13 60.54 0.1 . 1 . . . . 505 ILE CA . 6932 1 1271 . 1 1 122 122 ILE CB C 13 41.34 0.1 . 1 . . . . 505 ILE CB . 6932 1 1272 . 1 1 122 122 ILE CG1 C 13 27.69 0.1 . 1 . . . . 505 ILE CG1 . 6932 1 1273 . 1 1 122 122 ILE CG2 C 13 18.18 0.1 . 1 . . . . 505 ILE CG2 . 6932 1 1274 . 1 1 122 122 ILE N N 15 119.81 0.1 . 1 . . . . 505 ILE N . 6932 1 1275 . 1 1 123 123 TYR H H 1 9.39 0.02 . 1 . . . . 506 TYR H . 6932 1 1276 . 1 1 123 123 TYR HA H 1 5.28 0.02 . 1 . . . . 506 TYR HA . 6932 1 1277 . 1 1 123 123 TYR HB2 H 1 2.55 0.02 . 2 . . . . 506 TYR HB2 . 6932 1 1278 . 1 1 123 123 TYR HB3 H 1 2.74 0.02 . 2 . . . . 506 TYR HB3 . 6932 1 1279 . 1 1 123 123 TYR HD1 H 1 6.68 0.02 . 3 . . . . 506 TYR HD1 . 6932 1 1280 . 1 1 123 123 TYR HE1 H 1 6.54 0.02 . 3 . . . . 506 TYR HE1 . 6932 1 1281 . 1 1 123 123 TYR C C 13 175.37 0.1 . 1 . . . . 506 TYR C . 6932 1 1282 . 1 1 123 123 TYR CA C 13 56.06 0.1 . 1 . . . . 506 TYR CA . 6932 1 1283 . 1 1 123 123 TYR CB C 13 41.60 0.1 . 1 . . . . 506 TYR CB . 6932 1 1284 . 1 1 123 123 TYR CD1 C 13 133.16 0.1 . 1 . . . . 506 TYR CD1 . 6932 1 1285 . 1 1 123 123 TYR CE1 C 13 118.25 0.1 . 1 . . . . 506 TYR CE1 . 6932 1 1286 . 1 1 123 123 TYR N N 15 124.60 0.1 . 1 . . . . 506 TYR N . 6932 1 1287 . 1 1 124 124 LYS H H 1 8.41 0.02 . 1 . . . . 507 LYS H . 6932 1 1288 . 1 1 124 124 LYS HA H 1 4.31 0.02 . 1 . . . . 507 LYS HA . 6932 1 1289 . 1 1 124 124 LYS HB2 H 1 1.66 0.02 . 2 . . . . 507 LYS HB2 . 6932 1 1290 . 1 1 124 124 LYS HB3 H 1 1.86 0.02 . 2 . . . . 507 LYS HB3 . 6932 1 1291 . 1 1 124 124 LYS HG2 H 1 1.46 0.02 . 2 . . . . 507 LYS HG2 . 6932 1 1292 . 1 1 124 124 LYS HD2 H 1 1.36 0.02 . 2 . . . . 507 LYS HD2 . 6932 1 1293 . 1 1 124 124 LYS HE2 H 1 2.74 0.02 . 2 . . . . 507 LYS HE2 . 6932 1 1294 . 1 1 124 124 LYS C C 13 175.88 0.1 . 1 . . . . 507 LYS C . 6932 1 1295 . 1 1 124 124 LYS CA C 13 57.09 0.1 . 1 . . . . 507 LYS CA . 6932 1 1296 . 1 1 124 124 LYS CB C 13 34.36 0.1 . 1 . . . . 507 LYS CB . 6932 1 1297 . 1 1 124 124 LYS CG C 13 25.91 0.1 . 1 . . . . 507 LYS CG . 6932 1 1298 . 1 1 124 124 LYS CD C 13 29.38 0.1 . 1 . . . . 507 LYS CD . 6932 1 1299 . 1 1 124 124 LYS CE C 13 41.89 0.1 . 1 . . . . 507 LYS CE . 6932 1 1300 . 1 1 124 124 LYS N N 15 120.63 0.1 . 1 . . . . 507 LYS N . 6932 1 1301 . 1 1 125 125 GLY H H 1 7.50 0.02 . 1 . . . . 508 GLY H . 6932 1 1302 . 1 1 125 125 GLY HA2 H 1 4.15 0.02 . 2 . . . . 508 GLY HA2 . 6932 1 1303 . 1 1 125 125 GLY HA3 H 1 3.61 0.02 . 2 . . . . 508 GLY HA3 . 6932 1 1304 . 1 1 125 125 GLY C C 13 171.10 0.1 . 1 . . . . 508 GLY C . 6932 1 1305 . 1 1 125 125 GLY CA C 13 44.92 0.1 . 1 . . . . 508 GLY CA . 6932 1 1306 . 1 1 125 125 GLY N N 15 112.80 0.1 . 1 . . . . 508 GLY N . 6932 1 1307 . 1 1 126 126 ASP H H 1 8.11 0.02 . 1 . . . . 509 ASP H . 6932 1 1308 . 1 1 126 126 ASP HA H 1 4.38 0.02 . 1 . . . . 509 ASP HA . 6932 1 1309 . 1 1 126 126 ASP HB2 H 1 1.66 0.02 . 2 . . . . 509 ASP HB2 . 6932 1 1310 . 1 1 126 126 ASP HB3 H 1 2.36 0.02 . 2 . . . . 509 ASP HB3 . 6932 1 1311 . 1 1 126 126 ASP C C 13 175.82 0.1 . 1 . . . . 509 ASP C . 6932 1 1312 . 1 1 126 126 ASP CA C 13 52.30 0.1 . 1 . . . . 509 ASP CA . 6932 1 1313 . 1 1 126 126 ASP CB C 13 41.47 0.1 . 1 . . . . 509 ASP CB . 6932 1 1314 . 1 1 126 126 ASP N N 15 118.81 0.1 . 1 . . . . 509 ASP N . 6932 1 1315 . 1 1 127 127 ILE H H 1 7.75 0.02 . 1 . . . . 510 ILE H . 6932 1 1316 . 1 1 127 127 ILE HA H 1 3.95 0.02 . 1 . . . . 510 ILE HA . 6932 1 1317 . 1 1 127 127 ILE HB H 1 1.64 0.02 . 1 . . . . 510 ILE HB . 6932 1 1318 . 1 1 127 127 ILE HG12 H 1 1.16 0.02 . 2 . . . . 510 ILE HG12 . 6932 1 1319 . 1 1 127 127 ILE HG21 H 1 0.61 0.02 . 1 . . . . 510 ILE HG2 . 6932 1 1320 . 1 1 127 127 ILE HG22 H 1 0.61 0.02 . 1 . . . . 510 ILE HG2 . 6932 1 1321 . 1 1 127 127 ILE HG23 H 1 0.61 0.02 . 1 . . . . 510 ILE HG2 . 6932 1 1322 . 1 1 127 127 ILE HD11 H 1 0.45 0.02 . 1 . . . . 510 ILE HD1 . 6932 1 1323 . 1 1 127 127 ILE HD12 H 1 0.45 0.02 . 1 . . . . 510 ILE HD1 . 6932 1 1324 . 1 1 127 127 ILE HD13 H 1 0.45 0.02 . 1 . . . . 510 ILE HD1 . 6932 1 1325 . 1 1 127 127 ILE C C 13 174.83 0.1 . 1 . . . . 510 ILE C . 6932 1 1326 . 1 1 127 127 ILE CA C 13 61.24 0.1 . 1 . . . . 510 ILE CA . 6932 1 1327 . 1 1 127 127 ILE CB C 13 38.19 0.1 . 1 . . . . 510 ILE CB . 6932 1 1328 . 1 1 127 127 ILE CG1 C 13 26.70 0.1 . 1 . . . . 510 ILE CG1 . 6932 1 1329 . 1 1 127 127 ILE CG2 C 13 17.44 0.1 . 1 . . . . 510 ILE CG2 . 6932 1 1330 . 1 1 127 127 ILE CD1 C 13 12.97 0.1 . 1 . . . . 510 ILE CD1 . 6932 1 1331 . 1 1 127 127 ILE N N 15 122.05 0.1 . 1 . . . . 510 ILE N . 6932 1 1332 . 1 1 128 128 GLU H H 1 7.66 0.02 . 1 . . . . 511 GLU H . 6932 1 1333 . 1 1 128 128 GLU HA H 1 3.95 0.02 . 1 . . . . 511 GLU HA . 6932 1 1334 . 1 1 128 128 GLU HB2 H 1 1.87 0.02 . 2 . . . . 511 GLU HB2 . 6932 1 1335 . 1 1 128 128 GLU HB3 H 1 2.10 0.02 . 2 . . . . 511 GLU HB3 . 6932 1 1336 . 1 1 128 128 GLU CA C 13 58.34 0.1 . 1 . . . . 511 GLU CA . 6932 1 1337 . 1 1 128 128 GLU CB C 13 31.24 0.1 . 1 . . . . 511 GLU CB . 6932 1 1338 . 1 1 128 128 GLU N N 15 129.47 0.1 . 1 . . . . 511 GLU N . 6932 1 stop_ save_