data_6787 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6787 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Structure of the C2A domain of rabphilin 3A' 'Structure analysis' 'The data from the entries that make up this study were used to determine the structure of the C2A domain of rabphilin' 6787 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID 1 'C2A rabphilin' 6787 1 stop_ loop_ _Study_entry_list.Study_ID _Study_entry_list.BMRB_accession_code _Study_entry_list.BMRB_entry_description _Study_entry_list.Details _Study_entry_list.Entry_ID _Study_entry_list.Study_list_ID 1 6787 'assigned chemical shift entry' 'complete 13C 15N and 1H chemical shift assignments' 6787 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6787 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for rabphilin C2A domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-08-23 _Entry.Accession_date 2005-08-23 _Entry.Last_release_date 2005-08-23 _Entry.Original_release_date 2005-08-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Pierre Montaville . . . . 6787 2 Hai-Young Kim . . . . 6787 3 Vinesh Vijayan . . . . 6787 4 Stefan Becker . . . . 6787 5 Markus Zweckstetter . . . . 6787 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6787 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 553 6787 '15N chemical shifts' 153 6787 '1H chemical shifts' 968 6787 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 3 . . 2007-02-08 2005-08-23 update BMRB 'complete entry citation' 6787 2 . . 2006-06-13 2005-08-23 update author 'chemical shift referencing updated' 6787 1 . . 2006-04-14 2005-08-23 original author 'original release' 6787 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4360 'C2B domain rabphilin' 6787 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6787 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16609836 _Citation.Full_citation . _Citation.Title ; 1H, 15N, and 13C Resonance Assignment of the C2A Domain of Rabphilin3A ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 20 _Citation.Page_last 20 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Pierre Montaville . . . . 6787 1 2 Hai-Young Kim . . . . 6787 1 3 Vinesh Vijayan . . . . 6787 1 4 Stefan Becker . . . . 6787 1 5 Markus Zweckstetter . . . . 6787 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'C2A rabphilin NMR' 6787 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6787 _Assembly.ID 1 _Assembly.Name 'rabphilin C2A domain' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 3 _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 16336.42 _Assembly.Enzyme_commission_number . _Assembly.Details 'C2A domain of mouse rabphilin 3A (E371-I510)' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6787 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 C2A 1 $rabphilin_C2A_domain . . yes native no no 1 'membrane calcium binding domain' . 6787 1 2 'CALCIUM (II) ION 1' 2 $CA . . . . . . 2 'CALCIUM (II) ION' . 6787 1 3 'CALCIUM (II) ION 2' 2 $CA . . . . . . 2 'CALCIUM (II) ION' . 6787 1 4 'CALCIUM (II) ION 3' 2 $CA . . . . . . 2 'CALCIUM (II) ION' . 6787 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'calcium dependent membrane binding module' 6787 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID 'C2A rabphilin calcium' 6787 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_rabphilin_C2A_domain _Entity.Sf_category entity _Entity.Sf_framecode rabphilin_C2A_domain _Entity.Entry_ID 6787 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C2A domain' _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 ; EANSYDSDEATTLGALEFSL LYDQDNSNLQCTIIRAKGLK PMDSNGLADPYVKLHLLPGA SKSNKLRTKTLRNTRNPVWN ETLQYHGITEEDMQRKTLRI SVCDEDKFGHNEFIGETRFS LKKLKANQRKNFNICLERVI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 140 _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 16336.42 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'calcium dependent membrane binding domain' 6787 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C2 domain' na 6787 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'C2A domain' 6787 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 1 371 GLU . 6787 1 2 372 ALA . 6787 1 3 373 ASN . 6787 1 4 374 SER . 6787 1 5 375 TYR . 6787 1 6 376 ASP . 6787 1 7 377 SER . 6787 1 8 378 ASP . 6787 1 9 379 GLU . 6787 1 10 380 ALA . 6787 1 11 381 THR . 6787 1 12 382 THR . 6787 1 13 383 LEU . 6787 1 14 384 GLY . 6787 1 15 385 ALA . 6787 1 16 386 LEU . 6787 1 17 387 GLU . 6787 1 18 388 PHE . 6787 1 19 389 SER . 6787 1 20 390 LEU . 6787 1 21 391 LEU . 6787 1 22 392 TYR . 6787 1 23 393 ASP . 6787 1 24 394 GLN . 6787 1 25 395 ASP . 6787 1 26 396 ASN . 6787 1 27 397 SER . 6787 1 28 398 ASN . 6787 1 29 399 LEU . 6787 1 30 400 GLN . 6787 1 31 401 CYS . 6787 1 32 402 THR . 6787 1 33 403 ILE . 6787 1 34 404 ILE . 6787 1 35 405 ARG . 6787 1 36 406 ALA . 6787 1 37 407 LYS . 6787 1 38 408 GLY . 6787 1 39 409 LEU . 6787 1 40 410 LYS . 6787 1 41 411 PRO . 6787 1 42 412 MET . 6787 1 43 413 ASP . 6787 1 44 414 SER . 6787 1 45 415 ASN . 6787 1 46 416 GLY . 6787 1 47 417 LEU . 6787 1 48 418 ALA . 6787 1 49 419 ASP . 6787 1 50 420 PRO . 6787 1 51 421 TYR . 6787 1 52 422 VAL . 6787 1 53 423 LYS . 6787 1 54 424 LEU . 6787 1 55 425 HIS . 6787 1 56 426 LEU . 6787 1 57 427 LEU . 6787 1 58 428 PRO . 6787 1 59 429 GLY . 6787 1 60 430 ALA . 6787 1 61 431 SER . 6787 1 62 432 LYS . 6787 1 63 433 SER . 6787 1 64 434 ASN . 6787 1 65 435 LYS . 6787 1 66 436 LEU . 6787 1 67 437 ARG . 6787 1 68 438 THR . 6787 1 69 439 LYS . 6787 1 70 440 THR . 6787 1 71 441 LEU . 6787 1 72 442 ARG . 6787 1 73 443 ASN . 6787 1 74 444 THR . 6787 1 75 445 ARG . 6787 1 76 446 ASN . 6787 1 77 447 PRO . 6787 1 78 448 VAL . 6787 1 79 449 TRP . 6787 1 80 450 ASN . 6787 1 81 451 GLU . 6787 1 82 452 THR . 6787 1 83 453 LEU . 6787 1 84 454 GLN . 6787 1 85 455 TYR . 6787 1 86 456 HIS . 6787 1 87 457 GLY . 6787 1 88 458 ILE . 6787 1 89 459 THR . 6787 1 90 460 GLU . 6787 1 91 461 GLU . 6787 1 92 462 ASP . 6787 1 93 463 MET . 6787 1 94 464 GLN . 6787 1 95 465 ARG . 6787 1 96 466 LYS . 6787 1 97 467 THR . 6787 1 98 468 LEU . 6787 1 99 469 ARG . 6787 1 100 470 ILE . 6787 1 101 471 SER . 6787 1 102 472 VAL . 6787 1 103 473 CYS . 6787 1 104 474 ASP . 6787 1 105 475 GLU . 6787 1 106 476 ASP . 6787 1 107 477 LYS . 6787 1 108 478 PHE . 6787 1 109 479 GLY . 6787 1 110 480 HIS . 6787 1 111 481 ASN . 6787 1 112 482 GLU . 6787 1 113 483 PHE . 6787 1 114 484 ILE . 6787 1 115 485 GLY . 6787 1 116 486 GLU . 6787 1 117 487 THR . 6787 1 118 488 ARG . 6787 1 119 489 PHE . 6787 1 120 490 SER . 6787 1 121 491 LEU . 6787 1 122 492 LYS . 6787 1 123 493 LYS . 6787 1 124 494 LEU . 6787 1 125 495 LYS . 6787 1 126 496 ALA . 6787 1 127 497 ASN . 6787 1 128 498 GLN . 6787 1 129 499 ARG . 6787 1 130 500 LYS . 6787 1 131 501 ASN . 6787 1 132 502 PHE . 6787 1 133 503 ASN . 6787 1 134 504 ILE . 6787 1 135 505 CYS . 6787 1 136 506 LEU . 6787 1 137 507 GLU . 6787 1 138 508 ARG . 6787 1 139 509 VAL . 6787 1 140 510 ILE . 6787 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 . GLU 1 1 6787 1 . ALA 2 2 6787 1 . ASN 3 3 6787 1 . SER 4 4 6787 1 . TYR 5 5 6787 1 . ASP 6 6 6787 1 . SER 7 7 6787 1 . ASP 8 8 6787 1 . GLU 9 9 6787 1 . ALA 10 10 6787 1 . THR 11 11 6787 1 . THR 12 12 6787 1 . LEU 13 13 6787 1 . GLY 14 14 6787 1 . ALA 15 15 6787 1 . LEU 16 16 6787 1 . GLU 17 17 6787 1 . PHE 18 18 6787 1 . SER 19 19 6787 1 . LEU 20 20 6787 1 . LEU 21 21 6787 1 . TYR 22 22 6787 1 . ASP 23 23 6787 1 . GLN 24 24 6787 1 . ASP 25 25 6787 1 . ASN 26 26 6787 1 . SER 27 27 6787 1 . ASN 28 28 6787 1 . LEU 29 29 6787 1 . GLN 30 30 6787 1 . CYS 31 31 6787 1 . THR 32 32 6787 1 . ILE 33 33 6787 1 . ILE 34 34 6787 1 . ARG 35 35 6787 1 . ALA 36 36 6787 1 . LYS 37 37 6787 1 . GLY 38 38 6787 1 . LEU 39 39 6787 1 . LYS 40 40 6787 1 . PRO 41 41 6787 1 . MET 42 42 6787 1 . ASP 43 43 6787 1 . SER 44 44 6787 1 . ASN 45 45 6787 1 . GLY 46 46 6787 1 . LEU 47 47 6787 1 . ALA 48 48 6787 1 . ASP 49 49 6787 1 . PRO 50 50 6787 1 . TYR 51 51 6787 1 . VAL 52 52 6787 1 . LYS 53 53 6787 1 . LEU 54 54 6787 1 . HIS 55 55 6787 1 . LEU 56 56 6787 1 . LEU 57 57 6787 1 . PRO 58 58 6787 1 . GLY 59 59 6787 1 . ALA 60 60 6787 1 . SER 61 61 6787 1 . LYS 62 62 6787 1 . SER 63 63 6787 1 . ASN 64 64 6787 1 . LYS 65 65 6787 1 . LEU 66 66 6787 1 . ARG 67 67 6787 1 . THR 68 68 6787 1 . LYS 69 69 6787 1 . THR 70 70 6787 1 . LEU 71 71 6787 1 . ARG 72 72 6787 1 . ASN 73 73 6787 1 . THR 74 74 6787 1 . ARG 75 75 6787 1 . ASN 76 76 6787 1 . PRO 77 77 6787 1 . VAL 78 78 6787 1 . TRP 79 79 6787 1 . ASN 80 80 6787 1 . GLU 81 81 6787 1 . THR 82 82 6787 1 . LEU 83 83 6787 1 . GLN 84 84 6787 1 . TYR 85 85 6787 1 . HIS 86 86 6787 1 . GLY 87 87 6787 1 . ILE 88 88 6787 1 . THR 89 89 6787 1 . GLU 90 90 6787 1 . GLU 91 91 6787 1 . ASP 92 92 6787 1 . MET 93 93 6787 1 . GLN 94 94 6787 1 . ARG 95 95 6787 1 . LYS 96 96 6787 1 . THR 97 97 6787 1 . LEU 98 98 6787 1 . ARG 99 99 6787 1 . ILE 100 100 6787 1 . SER 101 101 6787 1 . VAL 102 102 6787 1 . CYS 103 103 6787 1 . ASP 104 104 6787 1 . GLU 105 105 6787 1 . ASP 106 106 6787 1 . LYS 107 107 6787 1 . PHE 108 108 6787 1 . GLY 109 109 6787 1 . HIS 110 110 6787 1 . ASN 111 111 6787 1 . GLU 112 112 6787 1 . PHE 113 113 6787 1 . ILE 114 114 6787 1 . GLY 115 115 6787 1 . GLU 116 116 6787 1 . THR 117 117 6787 1 . ARG 118 118 6787 1 . PHE 119 119 6787 1 . SER 120 120 6787 1 . LEU 121 121 6787 1 . LYS 122 122 6787 1 . LYS 123 123 6787 1 . LEU 124 124 6787 1 . LYS 125 125 6787 1 . ALA 126 126 6787 1 . ASN 127 127 6787 1 . GLN 128 128 6787 1 . ARG 129 129 6787 1 . LYS 130 130 6787 1 . ASN 131 131 6787 1 . PHE 132 132 6787 1 . ASN 133 133 6787 1 . ILE 134 134 6787 1 . CYS 135 135 6787 1 . LEU 136 136 6787 1 . GLU 137 137 6787 1 . ARG 138 138 6787 1 . VAL 139 139 6787 1 . ILE 140 140 6787 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 6787 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . CA . 6787 2 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 6787 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $rabphilin_C2A_domain . 10090 organism no . mouse . . Eukaryota Metazoa mus musculus . . . . . . . . . . . . . 6787 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 6787 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $rabphilin_C2A_domain . 'recombinant technology' . 'E. Coli' . . . . . . . . . . . . . . 6787 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 6787 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 19 16:59:18 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 6787 CA InChI=1S/Ca/q+2 InChI InChI 1.03 6787 CA [Ca++] SMILES CACTVS 3.341 6787 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 6787 CA [Ca+2] SMILES ACDLabs 10.04 6787 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 6787 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6787 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 6787 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6787 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6787 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6787 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Na acetate 20mM pH5.0 NaCl 150mM CaCl2 20 mM DTT 1mM ; _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 'rabphilin C2A domain' '[U-13C; U-15N]' . . 1 $rabphilin_C2A_domain . . 1 0.7 1.1 mM 0.1 . . . 6787 1 2 'Na acetate' . . . . . . . 20 . . mM . . . . 6787 1 3 NaCl . . . . . . . 150 . . mM . . . . 6787 1 4 CaCl2 . . . . . . . 20 . . mM . . . . 6787 1 5 DTT . . . . . . . 1 . . mM . . . . 6787 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 6787 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; Na Acetate 20 mM pH 5.0 NaCl 150 mM CaCl2 20 mM DTT 1 mM ; 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' 150 1 mM 6787 1 pH 5.0 0.01 pH 6787 1 temperature 301 0.5 K 6787 1 stop_ save_ ############################ # Computer software used # ############################ save_MARS _Software.Sf_category software _Software.Sf_framecode MARS _Software.Entry_ID 6787 _Software.ID 1 _Software.Name MARS _Software.Version . _Software.Details ; Jung Y.-S. and Zweckstetter M. (2004). J. Biomol. NMR 30,11-23. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'semi automated backbone assignment' 6787 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_700MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 700MHz_spectrometer _NMR_spectrometer.Entry_ID 6787 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 6787 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D [15N, 1H] HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 6787 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 6787 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 6787 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 6787 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 6787 1 6 '3D C(CO)NNH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 6787 1 7 '3D H(CCO)NNH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 6787 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 6787 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 6787 1 10 '3D [15N, 1H] NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 6787 1 11 '3D [13C, 1H] NOESY-HMQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 6787 1 12 '2D (Hb)Cb(CgCd)Hd' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 6787 1 13 '2D (Hb)Cb(CgCdCe)He' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 6787 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 6787 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 . indirect 0.251449530 . . . . . 6787 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . 6787 1 N 15 DSS 'methyl protons' . . . . ppm 0 . indirect 0.101329118 . . . . . 6787 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_C2A-Rabp3A.shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode C2A-Rabp3A.shifts _Assigned_chem_shift_list.Entry_ID 6787 _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 '2D [15N, 1H] HSQC' 1 $sample_1 isotropic 6787 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $MARS . . 6787 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 GLU H H 1 8.68 0.02 . 1 . . . . 371 GLU H . 6787 1 2 . 1 1 1 1 GLU HA H 1 4.26 0.02 . 1 . . . . 371 GLU HA . 6787 1 3 . 1 1 1 1 GLU HB2 H 1 1.91 0.02 . 2 . . . . 371 GLU HB2 . 6787 1 4 . 1 1 1 1 GLU HB3 H 1 2.04 0.02 . 2 . . . . 371 GLU HB3 . 6787 1 5 . 1 1 1 1 GLU HG2 H 1 2.26 0.02 . 1 . . . . 371 GLU HG2 . 6787 1 6 . 1 1 1 1 GLU HG3 H 1 2.25 0.02 . 1 . . . . 371 GLU HG3 . 6787 1 7 . 1 1 1 1 GLU C C 13 176.60 0.05 . 1 . . . . 371 GLU C . 6787 1 8 . 1 1 1 1 GLU CA C 13 54.18 0.3 . 1 . . . . 371 GLU CA . 6787 1 9 . 1 1 1 1 GLU CB C 13 27.14 0.3 . 1 . . . . 371 GLU CB . 6787 1 10 . 1 1 1 1 GLU CG C 13 33.21 0.3 . 1 . . . . 371 GLU CG . 6787 1 11 . 1 1 1 1 GLU N N 15 122.95 0.1 . 1 . . . . 371 GLU N . 6787 1 12 . 1 1 2 2 ALA H H 1 8.28 0.02 . 1 . . . . 372 ALA H . 6787 1 13 . 1 1 2 2 ALA HA H 1 4.24 0.02 . 1 . . . . 372 ALA HA . 6787 1 14 . 1 1 2 2 ALA HB1 H 1 1.33 0.02 . 1 . . . . 372 ALA HB . 6787 1 15 . 1 1 2 2 ALA HB2 H 1 1.33 0.02 . 1 . . . . 372 ALA HB . 6787 1 16 . 1 1 2 2 ALA HB3 H 1 1.33 0.02 . 1 . . . . 372 ALA HB . 6787 1 17 . 1 1 2 2 ALA C C 13 177.75 0.05 . 1 . . . . 372 ALA C . 6787 1 18 . 1 1 2 2 ALA CA C 13 50.93 0.3 . 1 . . . . 372 ALA CA . 6787 1 19 . 1 1 2 2 ALA CB C 13 16.39 0.3 . 1 . . . . 372 ALA CB . 6787 1 20 . 1 1 2 2 ALA N N 15 124.66 0.1 . 1 . . . . 372 ALA N . 6787 1 21 . 1 1 3 3 ASN H H 1 8.29 0.02 . 1 . . . . 373 ASN H . 6787 1 22 . 1 1 3 3 ASN HA H 1 4.63 0.02 . 1 . . . . 373 ASN HA . 6787 1 23 . 1 1 3 3 ASN HB2 H 1 2.69 0.02 . 1 . . . . 373 ASN HB2 . 6787 1 24 . 1 1 3 3 ASN HB3 H 1 2.68 0.02 . 1 . . . . 373 ASN HB3 . 6787 1 25 . 1 1 3 3 ASN HD21 H 1 7.54 0.02 . 1 . . . . 373 ASN HD21 . 6787 1 26 . 1 1 3 3 ASN HD22 H 1 6.88 0.02 . 1 . . . . 373 ASN HD22 . 6787 1 27 . 1 1 3 3 ASN C C 13 175.44 0.05 . 1 . . . . 373 ASN C . 6787 1 28 . 1 1 3 3 ASN CA C 13 50.50 0.3 . 1 . . . . 373 ASN CA . 6787 1 29 . 1 1 3 3 ASN CB C 13 36.53 0.3 . 1 . . . . 373 ASN CB . 6787 1 30 . 1 1 3 3 ASN N N 15 117.66 0.1 . 1 . . . . 373 ASN N . 6787 1 31 . 1 1 3 3 ASN ND2 N 15 113.07 0.1 . 1 . . . . 373 ASN ND2 . 6787 1 32 . 1 1 4 4 SER H H 1 8.12 0.02 . 1 . . . . 374 SER H . 6787 1 33 . 1 1 4 4 SER HA H 1 4.36 0.02 . 1 . . . . 374 SER HA . 6787 1 34 . 1 1 4 4 SER HB2 H 1 3.75 0.02 . 1 . . . . 374 SER HB2 . 6787 1 35 . 1 1 4 4 SER HB3 H 1 3.76 0.02 . 1 . . . . 374 SER HB3 . 6787 1 36 . 1 1 4 4 SER C C 13 174.49 0.05 . 1 . . . . 374 SER C . 6787 1 37 . 1 1 4 4 SER CA C 13 55.67 0.3 . 1 . . . . 374 SER CA . 6787 1 38 . 1 1 4 4 SER CB C 13 61.07 0.3 . 1 . . . . 374 SER CB . 6787 1 39 . 1 1 4 4 SER N N 15 115.98 0.1 . 1 . . . . 374 SER N . 6787 1 40 . 1 1 5 5 TYR H H 1 8.13 0.02 . 1 . . . . 375 TYR H . 6787 1 41 . 1 1 5 5 TYR HA H 1 4.53 0.02 . 1 . . . . 375 TYR HA . 6787 1 42 . 1 1 5 5 TYR HB2 H 1 2.90 0.02 . 2 . . . . 375 TYR HB2 . 6787 1 43 . 1 1 5 5 TYR HB3 H 1 3.02 0.02 . 2 . . . . 375 TYR HB3 . 6787 1 44 . 1 1 5 5 TYR HD1 H 1 6.78 0.02 . 1 . . . . 375 TYR HD1 . 6787 1 45 . 1 1 5 5 TYR HD2 H 1 6.80 0.02 . 1 . . . . 375 TYR HD2 . 6787 1 46 . 1 1 5 5 TYR HE1 H 1 7.08 0.02 . 1 . . . . 375 TYR HE1 . 6787 1 47 . 1 1 5 5 TYR HE2 H 1 7.08 0.02 . 1 . . . . 375 TYR HE2 . 6787 1 48 . 1 1 5 5 TYR C C 13 175.79 0.05 . 1 . . . . 375 TYR C . 6787 1 49 . 1 1 5 5 TYR CA C 13 55.24 0.3 . 1 . . . . 375 TYR CA . 6787 1 50 . 1 1 5 5 TYR CB C 13 36.02 0.3 . 1 . . . . 375 TYR CB . 6787 1 51 . 1 1 5 5 TYR N N 15 121.76 0.1 . 1 . . . . 375 TYR N . 6787 1 52 . 1 1 6 6 ASP H H 1 8.19 0.02 . 1 . . . . 376 ASP H . 6787 1 53 . 1 1 6 6 ASP HA H 1 4.59 0.02 . 1 . . . . 376 ASP HA . 6787 1 54 . 1 1 6 6 ASP HB2 H 1 2.55 0.02 . 2 . . . . 376 ASP HB2 . 6787 1 55 . 1 1 6 6 ASP HB3 H 1 2.65 0.02 . 2 . . . . 376 ASP HB3 . 6787 1 56 . 1 1 6 6 ASP C C 13 176.42 0.05 . 1 . . . . 376 ASP C . 6787 1 57 . 1 1 6 6 ASP CA C 13 51.52 0.3 . 1 . . . . 376 ASP CA . 6787 1 58 . 1 1 6 6 ASP CB C 13 38.48 0.3 . 1 . . . . 376 ASP CB . 6787 1 59 . 1 1 6 6 ASP N N 15 122.00 0.1 . 1 . . . . 376 ASP N . 6787 1 60 . 1 1 7 7 SER H H 1 8.13 0.02 . 1 . . . . 377 SER H . 6787 1 61 . 1 1 7 7 SER HA H 1 4.35 0.02 . 1 . . . . 377 SER HA . 6787 1 62 . 1 1 7 7 SER HB2 H 1 3.81 0.02 . 2 . . . . 377 SER HB2 . 6787 1 63 . 1 1 7 7 SER HB3 H 1 3.86 0.02 . 2 . . . . 377 SER HB3 . 6787 1 64 . 1 1 7 7 SER C C 13 174.84 0.05 . 1 . . . . 377 SER C . 6787 1 65 . 1 1 7 7 SER CA C 13 55.87 0.3 . 1 . . . . 377 SER CA . 6787 1 66 . 1 1 7 7 SER CB C 13 61.29 0.3 . 1 . . . . 377 SER CB . 6787 1 67 . 1 1 7 7 SER N N 15 116.16 0.1 . 1 . . . . 377 SER N . 6787 1 68 . 1 1 8 8 ASP H H 1 8.38 0.02 . 1 . . . . 378 ASP H . 6787 1 69 . 1 1 8 8 ASP HA H 1 4.60 0.02 . 1 . . . . 378 ASP HA . 6787 1 70 . 1 1 8 8 ASP HB2 H 1 2.55 0.02 . 2 . . . . 378 ASP HB2 . 6787 1 71 . 1 1 8 8 ASP HB3 H 1 2.65 0.02 . 2 . . . . 378 ASP HB3 . 6787 1 72 . 1 1 8 8 ASP C C 13 176.89 0.05 . 1 . . . . 378 ASP C . 6787 1 73 . 1 1 8 8 ASP CA C 13 52.02 0.3 . 1 . . . . 378 ASP CA . 6787 1 74 . 1 1 8 8 ASP CB C 13 38.32 0.3 . 1 . . . . 378 ASP CB . 6787 1 75 . 1 1 8 8 ASP N N 15 122.32 0.1 . 1 . . . . 378 ASP N . 6787 1 76 . 1 1 9 9 GLU H H 1 8.22 0.02 . 1 . . . . 379 GLU H . 6787 1 77 . 1 1 9 9 GLU HA H 1 4.20 0.02 . 1 . . . . 379 GLU HA . 6787 1 78 . 1 1 9 9 GLU HB2 H 1 1.91 0.02 . 2 . . . . 379 GLU HB2 . 6787 1 79 . 1 1 9 9 GLU HB3 H 1 2.04 0.02 . 2 . . . . 379 GLU HB3 . 6787 1 80 . 1 1 9 9 GLU HG2 H 1 2.24 0.02 . 2 . . . . 379 GLU HG2 . 6787 1 81 . 1 1 9 9 GLU HG3 H 1 2.27 0.02 . 2 . . . . 379 GLU HG3 . 6787 1 82 . 1 1 9 9 GLU C C 13 176.91 0.05 . 1 . . . . 379 GLU C . 6787 1 83 . 1 1 9 9 GLU CA C 13 54.21 0.3 . 1 . . . . 379 GLU CA . 6787 1 84 . 1 1 9 9 GLU CB C 13 27.33 0.3 . 1 . . . . 379 GLU CB . 6787 1 85 . 1 1 9 9 GLU CG C 13 33.06 0.3 . 1 . . . . 379 GLU CG . 6787 1 86 . 1 1 9 9 GLU N N 15 120.86 0.1 . 1 . . . . 379 GLU N . 6787 1 87 . 1 1 10 10 ALA H H 1 8.25 0.02 . 1 . . . . 380 ALA H . 6787 1 88 . 1 1 10 10 ALA HA H 1 4.33 0.02 . 1 . . . . 380 ALA HA . 6787 1 89 . 1 1 10 10 ALA HB1 H 1 1.39 0.02 . 1 . . . . 380 ALA HB . 6787 1 90 . 1 1 10 10 ALA HB2 H 1 1.39 0.02 . 1 . . . . 380 ALA HB . 6787 1 91 . 1 1 10 10 ALA HB3 H 1 1.39 0.02 . 1 . . . . 380 ALA HB . 6787 1 92 . 1 1 10 10 ALA C C 13 178.39 0.05 . 1 . . . . 380 ALA C . 6787 1 93 . 1 1 10 10 ALA CA C 13 50.33 0.3 . 1 . . . . 380 ALA CA . 6787 1 94 . 1 1 10 10 ALA CB C 13 16.40 0.3 . 1 . . . . 380 ALA CB . 6787 1 95 . 1 1 10 10 ALA N N 15 124.08 0.1 . 1 . . . . 380 ALA N . 6787 1 96 . 1 1 11 11 THR H H 1 8.00 0.02 . 1 . . . . 381 THR H . 6787 1 97 . 1 1 11 11 THR HA H 1 4.40 0.02 . 1 . . . . 381 THR HA . 6787 1 98 . 1 1 11 11 THR HB H 1 4.28 0.02 . 1 . . . . 381 THR HB . 6787 1 99 . 1 1 11 11 THR HG21 H 1 1.20 0.02 . 1 . . . . 381 THR HG2 . 6787 1 100 . 1 1 11 11 THR HG22 H 1 1.20 0.02 . 1 . . . . 381 THR HG2 . 6787 1 101 . 1 1 11 11 THR HG23 H 1 1.20 0.02 . 1 . . . . 381 THR HG2 . 6787 1 102 . 1 1 11 11 THR C C 13 175.30 0.05 . 1 . . . . 381 THR C . 6787 1 103 . 1 1 11 11 THR CA C 13 59.09 0.3 . 1 . . . . 381 THR CA . 6787 1 104 . 1 1 11 11 THR CB C 13 67.38 0.3 . 1 . . . . 381 THR CB . 6787 1 105 . 1 1 11 11 THR CG2 C 13 18.83 0.3 . 1 . . . . 381 THR CG2 . 6787 1 106 . 1 1 11 11 THR N N 15 112.08 0.1 . 1 . . . . 381 THR N . 6787 1 107 . 1 1 12 12 THR H H 1 8.03 0.02 . 1 . . . . 382 THR H . 6787 1 108 . 1 1 12 12 THR HA H 1 4.36 0.02 . 1 . . . . 382 THR HA . 6787 1 109 . 1 1 12 12 THR HB H 1 4.28 0.02 . 1 . . . . 382 THR HB . 6787 1 110 . 1 1 12 12 THR HG21 H 1 1.20 0.02 . 1 . . . . 382 THR HG2 . 6787 1 111 . 1 1 12 12 THR HG22 H 1 1.20 0.02 . 1 . . . . 382 THR HG2 . 6787 1 112 . 1 1 12 12 THR HG23 H 1 1.20 0.02 . 1 . . . . 382 THR HG2 . 6787 1 113 . 1 1 12 12 THR C C 13 174.76 0.05 . 1 . . . . 382 THR C . 6787 1 114 . 1 1 12 12 THR CA C 13 59.35 0.3 . 1 . . . . 382 THR CA . 6787 1 115 . 1 1 12 12 THR CB C 13 67.182 0.3 . 1 . . . . 382 THR CB . 6787 1 116 . 1 1 12 12 THR CG2 C 13 18.79 0.3 . 1 . . . . 382 THR CG2 . 6787 1 117 . 1 1 12 12 THR N N 15 116.65 0.1 . 1 . . . . 382 THR N . 6787 1 118 . 1 1 13 13 LEU H H 1 8.41 0.02 . 1 . . . . 383 LEU H . 6787 1 119 . 1 1 13 13 LEU HA H 1 4.30 0.02 . 1 . . . . 383 LEU HA . 6787 1 120 . 1 1 13 13 LEU HB2 H 1 1.33 0.02 . 2 . . . . 383 LEU HB2 . 6787 1 121 . 1 1 13 13 LEU HB3 H 1 1.59 0.02 . 2 . . . . 383 LEU HB3 . 6787 1 122 . 1 1 13 13 LEU HG H 1 1.64 0.02 . 1 . . . . 383 LEU HG . 6787 1 123 . 1 1 13 13 LEU HD11 H 1 0.81 0.02 . 1 . . . . 383 LEU HD1 . 6787 1 124 . 1 1 13 13 LEU HD12 H 1 0.81 0.02 . 1 . . . . 383 LEU HD1 . 6787 1 125 . 1 1 13 13 LEU HD13 H 1 0.81 0.02 . 1 . . . . 383 LEU HD1 . 6787 1 126 . 1 1 13 13 LEU HD21 H 1 0.82 0.02 . 1 . . . . 383 LEU HD2 . 6787 1 127 . 1 1 13 13 LEU HD22 H 1 0.82 0.02 . 1 . . . . 383 LEU HD2 . 6787 1 128 . 1 1 13 13 LEU HD23 H 1 0.82 0.02 . 1 . . . . 383 LEU HD2 . 6787 1 129 . 1 1 13 13 LEU C C 13 176.23 0.05 . 1 . . . . 383 LEU C . 6787 1 130 . 1 1 13 13 LEU CA C 13 53.44 0.3 . 1 . . . . 383 LEU CA . 6787 1 131 . 1 1 13 13 LEU CB C 13 41.05 0.3 . 1 . . . . 383 LEU CB . 6787 1 132 . 1 1 13 13 LEU CG C 13 24.72 0.3 . 1 . . . . 383 LEU CG . 6787 1 133 . 1 1 13 13 LEU CD1 C 13 20.13 0.3 . 1 . . . . 383 LEU CD1 . 6787 1 134 . 1 1 13 13 LEU CD2 C 13 22.17 0.3 . 1 . . . . 383 LEU CD2 . 6787 1 135 . 1 1 13 13 LEU N N 15 122.33 0.1 . 1 . . . . 383 LEU N . 6787 1 136 . 1 1 14 14 GLY H H 1 7.39 0.02 . 1 . . . . 384 GLY H . 6787 1 137 . 1 1 14 14 GLY HA2 H 1 3.63 0.02 . 2 . . . . 384 GLY HA2 . 6787 1 138 . 1 1 14 14 GLY HA3 H 1 4.29 0.02 . 2 . . . . 384 GLY HA3 . 6787 1 139 . 1 1 14 14 GLY C C 13 172.75 0.05 . 1 . . . . 384 GLY C . 6787 1 140 . 1 1 14 14 GLY CA C 13 41.32 0.3 . 1 . . . . 384 GLY CA . 6787 1 141 . 1 1 14 14 GLY N N 15 103.36 0.1 . 1 . . . . 384 GLY N . 6787 1 142 . 1 1 15 15 ALA H H 1 8.25 0.02 . 1 . . . . 385 ALA H . 6787 1 143 . 1 1 15 15 ALA HA H 1 5.35 0.02 . 1 . . . . 385 ALA HA . 6787 1 144 . 1 1 15 15 ALA HB1 H 1 1.32 0.02 . 1 . . . . 385 ALA HB . 6787 1 145 . 1 1 15 15 ALA HB2 H 1 1.32 0.02 . 1 . . . . 385 ALA HB . 6787 1 146 . 1 1 15 15 ALA HB3 H 1 1.32 0.02 . 1 . . . . 385 ALA HB . 6787 1 147 . 1 1 15 15 ALA C C 13 175.95 0.05 . 1 . . . . 385 ALA C . 6787 1 148 . 1 1 15 15 ALA CA C 13 47.98 0.3 . 1 . . . . 385 ALA CA . 6787 1 149 . 1 1 15 15 ALA CB C 13 19.91 0.3 . 1 . . . . 385 ALA CB . 6787 1 150 . 1 1 15 15 ALA N N 15 121.21 0.1 . 1 . . . . 385 ALA N . 6787 1 151 . 1 1 16 16 LEU H H 1 9.08 0.02 . 1 . . . . 386 LEU H . 6787 1 152 . 1 1 16 16 LEU HA H 1 5.07 0.02 . 1 . . . . 386 LEU HA . 6787 1 153 . 1 1 16 16 LEU HB2 H 1 1.84 0.02 . 2 . . . . 386 LEU HB2 . 6787 1 154 . 1 1 16 16 LEU HB3 H 1 1.01 0.02 . 2 . . . . 386 LEU HB3 . 6787 1 155 . 1 1 16 16 LEU HD11 H 1 0.50 0.02 . 2 . . . . 386 LEU HD1 . 6787 1 156 . 1 1 16 16 LEU HD12 H 1 0.50 0.02 . 2 . . . . 386 LEU HD1 . 6787 1 157 . 1 1 16 16 LEU HD13 H 1 0.50 0.02 . 2 . . . . 386 LEU HD1 . 6787 1 158 . 1 1 16 16 LEU HD21 H 1 0.44 0.02 . 2 . . . . 386 LEU HD2 . 6787 1 159 . 1 1 16 16 LEU HD22 H 1 0.44 0.02 . 2 . . . . 386 LEU HD2 . 6787 1 160 . 1 1 16 16 LEU HD23 H 1 0.44 0.02 . 2 . . . . 386 LEU HD2 . 6787 1 161 . 1 1 16 16 LEU C C 13 173.91 0.05 . 1 . . . . 386 LEU C . 6787 1 162 . 1 1 16 16 LEU CA C 13 51.30 0.3 . 1 . . . . 386 LEU CA . 6787 1 163 . 1 1 16 16 LEU CB C 13 45.76 0.3 . 1 . . . . 386 LEU CB . 6787 1 164 . 1 1 16 16 LEU CD1 C 13 24.58 0.3 . 1 . . . . 386 LEU CD1 . 6787 1 165 . 1 1 16 16 LEU CD2 C 13 24.58 0.3 . 1 . . . . 386 LEU CD2 . 6787 1 166 . 1 1 16 16 LEU N N 15 122.16 0.1 . 1 . . . . 386 LEU N . 6787 1 167 . 1 1 17 17 GLU H H 1 9.23 0.02 . 1 . . . . 387 GLU H . 6787 1 168 . 1 1 17 17 GLU HA H 1 5.68 0.02 . 1 . . . . 387 GLU HA . 6787 1 169 . 1 1 17 17 GLU HB2 H 1 1.96 0.02 . 2 . . . . 387 GLU HB2 . 6787 1 170 . 1 1 17 17 GLU HB3 H 1 2.15 0.02 . 2 . . . . 387 GLU HB3 . 6787 1 171 . 1 1 17 17 GLU HG2 H 1 2.18 0.02 . 2 . . . . 387 GLU HG2 . 6787 1 172 . 1 1 17 17 GLU HG3 H 1 2.24 0.02 . 2 . . . . 387 GLU HG3 . 6787 1 173 . 1 1 17 17 GLU C C 13 176.14 0.05 . 1 . . . . 387 GLU C . 6787 1 174 . 1 1 17 17 GLU CA C 13 51.81 0.3 . 1 . . . . 387 GLU CA . 6787 1 175 . 1 1 17 17 GLU CB C 13 29.95 0.3 . 1 . . . . 387 GLU CB . 6787 1 176 . 1 1 17 17 GLU CG C 13 33.77 0.3 . 1 . . . . 387 GLU CG . 6787 1 177 . 1 1 17 17 GLU N N 15 125.31 0.1 . 1 . . . . 387 GLU N . 6787 1 178 . 1 1 18 18 PHE H H 1 8.56 0.02 . 1 . . . . 388 PHE H . 6787 1 179 . 1 1 18 18 PHE HA H 1 5.42 0.02 . 1 . . . . 388 PHE HA . 6787 1 180 . 1 1 18 18 PHE HB2 H 1 2.94 0.02 . 2 . . . . 388 PHE HB2 . 6787 1 181 . 1 1 18 18 PHE HB3 H 1 3.13 0.02 . 2 . . . . 388 PHE HB3 . 6787 1 182 . 1 1 18 18 PHE HD1 H 1 6.63 0.02 . 1 . . . . 388 PHE HD1 . 6787 1 183 . 1 1 18 18 PHE HD2 H 1 6.65 0.02 . 1 . . . . 388 PHE HD2 . 6787 1 184 . 1 1 18 18 PHE HE1 H 1 6.77 0.02 . 1 . . . . 388 PHE HE1 . 6787 1 185 . 1 1 18 18 PHE HE2 H 1 6.79 0.02 . 1 . . . . 388 PHE HE2 . 6787 1 186 . 1 1 18 18 PHE C C 13 172.17 0.05 . 1 . . . . 388 PHE C . 6787 1 187 . 1 1 18 18 PHE CA C 13 52.85 0.3 . 1 . . . . 388 PHE CA . 6787 1 188 . 1 1 18 18 PHE CB C 13 38.91 0.3 . 1 . . . . 388 PHE CB . 6787 1 189 . 1 1 18 18 PHE N N 15 119.85 0.1 . 1 . . . . 388 PHE N . 6787 1 190 . 1 1 19 19 SER H H 1 9.55 0.02 . 1 . . . . 389 SER H . 6787 1 191 . 1 1 19 19 SER HA H 1 5.66 0.02 . 1 . . . . 389 SER HA . 6787 1 192 . 1 1 19 19 SER HB2 H 1 3.72 0.02 . 2 . . . . 389 SER HB2 . 6787 1 193 . 1 1 19 19 SER HB3 H 1 3.66 0.02 . 2 . . . . 389 SER HB3 . 6787 1 194 . 1 1 19 19 SER C C 13 173.98 0.05 . 1 . . . . 389 SER C . 6787 1 195 . 1 1 19 19 SER CA C 13 53.69 0.3 . 1 . . . . 389 SER CA . 6787 1 196 . 1 1 19 19 SER CB C 13 64.04 0.3 . 1 . . . . 389 SER CB . 6787 1 197 . 1 1 19 19 SER N N 15 114.71 0.1 . 1 . . . . 389 SER N . 6787 1 198 . 1 1 20 20 LEU H H 1 9.00 0.02 . 1 . . . . 390 LEU H . 6787 1 199 . 1 1 20 20 LEU HA H 1 5.52 0.02 . 1 . . . . 390 LEU HA . 6787 1 200 . 1 1 20 20 LEU HB2 H 1 1.77 0.02 . 2 . . . . 390 LEU HB2 . 6787 1 201 . 1 1 20 20 LEU HB3 H 1 1.35 0.02 . 2 . . . . 390 LEU HB3 . 6787 1 202 . 1 1 20 20 LEU HG H 1 1.65 0.02 . 1 . . . . 390 LEU HG . 6787 1 203 . 1 1 20 20 LEU HD11 H 1 0.44 0.02 . 2 . . . . 390 LEU HD1 . 6787 1 204 . 1 1 20 20 LEU HD12 H 1 0.44 0.02 . 2 . . . . 390 LEU HD1 . 6787 1 205 . 1 1 20 20 LEU HD13 H 1 0.44 0.02 . 2 . . . . 390 LEU HD1 . 6787 1 206 . 1 1 20 20 LEU HD21 H 1 0.90 0.02 . 2 . . . . 390 LEU HD2 . 6787 1 207 . 1 1 20 20 LEU HD22 H 1 0.90 0.02 . 2 . . . . 390 LEU HD2 . 6787 1 208 . 1 1 20 20 LEU HD23 H 1 0.90 0.02 . 2 . . . . 390 LEU HD2 . 6787 1 209 . 1 1 20 20 LEU C C 13 175.25 0.05 . 1 . . . . 390 LEU C . 6787 1 210 . 1 1 20 20 LEU CA C 13 50.71 0.3 . 1 . . . . 390 LEU CA . 6787 1 211 . 1 1 20 20 LEU CB C 13 46.11 0.3 . 1 . . . . 390 LEU CB . 6787 1 212 . 1 1 20 20 LEU CG C 13 24.44 0.3 . 1 . . . . 390 LEU CG . 6787 1 213 . 1 1 20 20 LEU CD1 C 13 24.54 0.3 . 1 . . . . 390 LEU CD1 . 6787 1 214 . 1 1 20 20 LEU CD2 C 13 21.85 0.3 . 1 . . . . 390 LEU CD2 . 6787 1 215 . 1 1 20 20 LEU N N 15 122.66 0.1 . 1 . . . . 390 LEU N . 6787 1 216 . 1 1 21 21 LEU H H 1 8.43 0.02 . 1 . . . . 391 LEU H . 6787 1 217 . 1 1 21 21 LEU HA H 1 4.47 0.02 . 1 . . . . 391 LEU HA . 6787 1 218 . 1 1 21 21 LEU HB2 H 1 1.64 0.02 . 2 . . . . 391 LEU HB2 . 6787 1 219 . 1 1 21 21 LEU HB3 H 1 1.24 0.02 . 2 . . . . 391 LEU HB3 . 6787 1 220 . 1 1 21 21 LEU HG H 1 1.75 0.02 . 1 . . . . 391 LEU HG . 6787 1 221 . 1 1 21 21 LEU HD11 H 1 0.69 0.02 . 2 . . . . 391 LEU HD1 . 6787 1 222 . 1 1 21 21 LEU HD12 H 1 0.69 0.02 . 2 . . . . 391 LEU HD1 . 6787 1 223 . 1 1 21 21 LEU HD13 H 1 0.69 0.02 . 2 . . . . 391 LEU HD1 . 6787 1 224 . 1 1 21 21 LEU HD21 H 1 -0.03 0.02 . 2 . . . . 391 LEU HD2 . 6787 1 225 . 1 1 21 21 LEU HD22 H 1 -0.03 0.02 . 2 . . . . 391 LEU HD2 . 6787 1 226 . 1 1 21 21 LEU HD23 H 1 -0.03 0.02 . 2 . . . . 391 LEU HD2 . 6787 1 227 . 1 1 21 21 LEU C C 13 174.38 0.05 . 1 . . . . 391 LEU C . 6787 1 228 . 1 1 21 21 LEU CA C 13 52.18 0.3 . 1 . . . . 391 LEU CA . 6787 1 229 . 1 1 21 21 LEU CB C 13 43.92 0.3 . 1 . . . . 391 LEU CB . 6787 1 230 . 1 1 21 21 LEU CG C 13 30.65 0.3 . 1 . . . . 391 LEU CG . 6787 1 231 . 1 1 21 21 LEU N N 15 119.91 0.1 . 1 . . . . 391 LEU N . 6787 1 232 . 1 1 22 22 TYR H H 1 9.97 0.02 . 1 . . . . 392 TYR H . 6787 1 233 . 1 1 22 22 TYR HA H 1 5.31 0.02 . 1 . . . . 392 TYR HA . 6787 1 234 . 1 1 22 22 TYR HB2 H 1 2.76 0.02 . 2 . . . . 392 TYR HB2 . 6787 1 235 . 1 1 22 22 TYR HB3 H 1 2.81 0.02 . 2 . . . . 392 TYR HB3 . 6787 1 236 . 1 1 22 22 TYR HD1 H 1 6.86 0.02 . 1 . . . . 392 TYR HD1 . 6787 1 237 . 1 1 22 22 TYR HD2 H 1 6.86 0.02 . 1 . . . . 392 TYR HD2 . 6787 1 238 . 1 1 22 22 TYR HE1 H 1 6.78 0.02 . 1 . . . . 392 TYR HE1 . 6787 1 239 . 1 1 22 22 TYR HE2 H 1 6.80 0.02 . 1 . . . . 392 TYR HE2 . 6787 1 240 . 1 1 22 22 TYR C C 13 173.17 0.05 . 1 . . . . 392 TYR C . 6787 1 241 . 1 1 22 22 TYR CA C 13 52.07 0.3 . 1 . . . . 392 TYR CA . 6787 1 242 . 1 1 22 22 TYR CB C 13 36.21 0.3 . 1 . . . . 392 TYR CB . 6787 1 243 . 1 1 22 22 TYR N N 15 129.17 0.1 . 1 . . . . 392 TYR N . 6787 1 244 . 1 1 23 23 ASP H H 1 8.72 0.02 . 1 . . . . 393 ASP H . 6787 1 245 . 1 1 23 23 ASP HA H 1 4.69 0.02 . 1 . . . . 393 ASP HA . 6787 1 246 . 1 1 23 23 ASP HB2 H 1 2.31 0.02 . 2 . . . . 393 ASP HB2 . 6787 1 247 . 1 1 23 23 ASP HB3 H 1 2.89 0.02 . 2 . . . . 393 ASP HB3 . 6787 1 248 . 1 1 23 23 ASP C C 13 175.91 0.05 . 1 . . . . 393 ASP C . 6787 1 249 . 1 1 23 23 ASP CA C 13 48.89 0.3 . 1 . . . . 393 ASP CA . 6787 1 250 . 1 1 23 23 ASP CB C 13 37.81 0.3 . 1 . . . . 393 ASP CB . 6787 1 251 . 1 1 23 23 ASP N N 15 129.15 0.1 . 1 . . . . 393 ASP N . 6787 1 252 . 1 1 24 24 GLN H H 1 7.24 0.02 . 1 . . . . 394 GLN H . 6787 1 253 . 1 1 24 24 GLN HA H 1 3.26 0.02 . 1 . . . . 394 GLN HA . 6787 1 254 . 1 1 24 24 GLN HB2 H 1 1.85 0.02 . 2 . . . . 394 GLN HB2 . 6787 1 255 . 1 1 24 24 GLN HB3 H 1 1.53 0.02 . 2 . . . . 394 GLN HB3 . 6787 1 256 . 1 1 24 24 GLN HG2 H 1 2.29 0.02 . 2 . . . . 394 GLN HG2 . 6787 1 257 . 1 1 24 24 GLN HG3 H 1 2.27 0.02 . 2 . . . . 394 GLN HG3 . 6787 1 258 . 1 1 24 24 GLN HE21 H 1 7.55 0.02 . 2 . . . . 394 GLN HE21 . 6787 1 259 . 1 1 24 24 GLN HE22 H 1 6.86 0.02 . 2 . . . . 394 GLN HE22 . 6787 1 260 . 1 1 24 24 GLN C C 13 178.82 0.05 . 1 . . . . 394 GLN C . 6787 1 261 . 1 1 24 24 GLN CA C 13 56.10 0.3 . 1 . . . . 394 GLN CA . 6787 1 262 . 1 1 24 24 GLN CB C 13 26.98 0.3 . 1 . . . . 394 GLN CB . 6787 1 263 . 1 1 24 24 GLN CG C 13 30.71 0.3 . 1 . . . . 394 GLN CG . 6787 1 264 . 1 1 24 24 GLN N N 15 125.69 0.1 . 1 . . . . 394 GLN N . 6787 1 265 . 1 1 24 24 GLN NE2 N 15 112.24 0.1 . 1 . . . . 394 GLN NE2 . 6787 1 266 . 1 1 25 25 ASP H H 1 8.68 0.02 . 1 . . . . 395 ASP H . 6787 1 267 . 1 1 25 25 ASP HA H 1 4.29 0.02 . 1 . . . . 395 ASP HA . 6787 1 268 . 1 1 25 25 ASP HB2 H 1 2.54 0.02 . 2 . . . . 395 ASP HB2 . 6787 1 269 . 1 1 25 25 ASP HB3 H 1 2.60 0.02 . 2 . . . . 395 ASP HB3 . 6787 1 270 . 1 1 25 25 ASP C C 13 177.69 0.05 . 1 . . . . 395 ASP C . 6787 1 271 . 1 1 25 25 ASP CA C 13 54.67 0.3 . 1 . . . . 395 ASP CA . 6787 1 272 . 1 1 25 25 ASP CB C 13 37.37 0.3 . 1 . . . . 395 ASP CB . 6787 1 273 . 1 1 25 25 ASP N N 15 119.76 0.1 . 1 . . . . 395 ASP N . 6787 1 274 . 1 1 26 26 ASN H H 1 7.10 0.02 . 1 . . . . 396 ASN H . 6787 1 275 . 1 1 26 26 ASN HA H 1 4.91 0.02 . 1 . . . . 396 ASN HA . 6787 1 276 . 1 1 26 26 ASN HB2 H 1 2.90 0.02 . 2 . . . . 396 ASN HB2 . 6787 1 277 . 1 1 26 26 ASN HB3 H 1 2.22 0.02 . 2 . . . . 396 ASN HB3 . 6787 1 278 . 1 1 26 26 ASN HD21 H 1 8.64 0.02 . 2 . . . . 396 ASN HD21 . 6787 1 279 . 1 1 26 26 ASN HD22 H 1 6.94 0.02 . 2 . . . . 396 ASN HD22 . 6787 1 280 . 1 1 26 26 ASN C C 13 173.70 0.05 . 1 . . . . 396 ASN C . 6787 1 281 . 1 1 26 26 ASN CA C 13 50.26 0.3 . 1 . . . . 396 ASN CA . 6787 1 282 . 1 1 26 26 ASN CB C 13 37.30 0.3 . 1 . . . . 396 ASN CB . 6787 1 283 . 1 1 26 26 ASN N N 15 113.67 0.1 . 1 . . . . 396 ASN N . 6787 1 284 . 1 1 26 26 ASN ND2 N 15 118.03 0.1 . 1 . . . . 396 ASN ND2 . 6787 1 285 . 1 1 27 27 SER H H 1 7.80 0.02 . 1 . . . . 397 SER H . 6787 1 286 . 1 1 27 27 SER HA H 1 4.00 0.02 . 1 . . . . 397 SER HA . 6787 1 287 . 1 1 27 27 SER HB2 H 1 3.96 0.02 . 2 . . . . 397 SER HB2 . 6787 1 288 . 1 1 27 27 SER HB3 H 1 3.98 0.02 . 2 . . . . 397 SER HB3 . 6787 1 289 . 1 1 27 27 SER C C 13 173.47 0.05 . 1 . . . . 397 SER C . 6787 1 290 . 1 1 27 27 SER CA C 13 56.04 0.3 . 1 . . . . 397 SER CA . 6787 1 291 . 1 1 27 27 SER CB C 13 59.02 0.3 . 1 . . . . 397 SER CB . 6787 1 292 . 1 1 27 27 SER N N 15 114.85 0.1 . 1 . . . . 397 SER N . 6787 1 293 . 1 1 28 28 ASN H H 1 7.68 0.02 . 1 . . . . 398 ASN H . 6787 1 294 . 1 1 28 28 ASN HA H 1 5.79 0.02 . 1 . . . . 398 ASN HA . 6787 1 295 . 1 1 28 28 ASN HB2 H 1 2.58 0.02 . 2 . . . . 398 ASN HB2 . 6787 1 296 . 1 1 28 28 ASN HB3 H 1 2.53 0.02 . 2 . . . . 398 ASN HB3 . 6787 1 297 . 1 1 28 28 ASN HD21 H 1 7.47 0.02 . 2 . . . . 398 ASN HD21 . 6787 1 298 . 1 1 28 28 ASN HD22 H 1 7.17 0.02 . 2 . . . . 398 ASN HD22 . 6787 1 299 . 1 1 28 28 ASN C C 13 173.75 0.05 . 1 . . . . 398 ASN C . 6787 1 300 . 1 1 28 28 ASN CA C 13 48.62 0.3 . 1 . . . . 398 ASN CA . 6787 1 301 . 1 1 28 28 ASN CB C 13 40.31 0.3 . 1 . . . . 398 ASN CB . 6787 1 302 . 1 1 28 28 ASN N N 15 115.54 0.1 . 1 . . . . 398 ASN N . 6787 1 303 . 1 1 28 28 ASN ND2 N 15 111.98 0.1 . 1 . . . . 398 ASN ND2 . 6787 1 304 . 1 1 29 29 LEU H H 1 8.73 0.02 . 1 . . . . 399 LEU H . 6787 1 305 . 1 1 29 29 LEU HA H 1 5.24 0.02 . 1 . . . . 399 LEU HA . 6787 1 306 . 1 1 29 29 LEU HB2 H 1 1.30 0.02 . 2 . . . . 399 LEU HB2 . 6787 1 307 . 1 1 29 29 LEU HB3 H 1 2.08 0.02 . 2 . . . . 399 LEU HB3 . 6787 1 308 . 1 1 29 29 LEU HG H 1 1.45 0.02 . 1 . . . . 399 LEU HG . 6787 1 309 . 1 1 29 29 LEU HD11 H 1 0.87 0.02 . 2 . . . . 399 LEU HD1 . 6787 1 310 . 1 1 29 29 LEU HD12 H 1 0.87 0.02 . 2 . . . . 399 LEU HD1 . 6787 1 311 . 1 1 29 29 LEU HD13 H 1 0.87 0.02 . 2 . . . . 399 LEU HD1 . 6787 1 312 . 1 1 29 29 LEU HD21 H 1 0.80 0.02 . 2 . . . . 399 LEU HD2 . 6787 1 313 . 1 1 29 29 LEU HD22 H 1 0.80 0.02 . 2 . . . . 399 LEU HD2 . 6787 1 314 . 1 1 29 29 LEU HD23 H 1 0.80 0.02 . 2 . . . . 399 LEU HD2 . 6787 1 315 . 1 1 29 29 LEU C C 13 174.27 0.05 . 1 . . . . 399 LEU C . 6787 1 316 . 1 1 29 29 LEU CA C 13 51.10 0.3 . 1 . . . . 399 LEU CA . 6787 1 317 . 1 1 29 29 LEU CB C 13 42.80 0.3 . 1 . . . . 399 LEU CB . 6787 1 318 . 1 1 29 29 LEU CG C 13 25.37 0.3 . 1 . . . . 399 LEU CG . 6787 1 319 . 1 1 29 29 LEU CD1 C 13 20.10 0.3 . 1 . . . . 399 LEU CD1 . 6787 1 320 . 1 1 29 29 LEU CD2 C 13 24.22 0.3 . 1 . . . . 399 LEU CD2 . 6787 1 321 . 1 1 29 29 LEU N N 15 125.49 0.1 . 1 . . . . 399 LEU N . 6787 1 322 . 1 1 30 30 GLN H H 1 9.48 0.02 . 1 . . . . 400 GLN H . 6787 1 323 . 1 1 30 30 GLN HA H 1 4.74 0.02 . 1 . . . . 400 GLN HA . 6787 1 324 . 1 1 30 30 GLN HB2 H 1 2.29 0.02 . 2 . . . . 400 GLN HB2 . 6787 1 325 . 1 1 30 30 GLN HB3 H 1 2.12 0.02 . 2 . . . . 400 GLN HB3 . 6787 1 326 . 1 1 30 30 GLN HG2 H 1 1.86 0.02 . 2 . . . . 400 GLN HG2 . 6787 1 327 . 1 1 30 30 GLN HG3 H 1 2.11 0.02 . 2 . . . . 400 GLN HG3 . 6787 1 328 . 1 1 30 30 GLN HE21 H 1 7.26 0.02 . 2 . . . . 400 GLN HE21 . 6787 1 329 . 1 1 30 30 GLN HE22 H 1 6.85 0.02 . 2 . . . . 400 GLN HE22 . 6787 1 330 . 1 1 30 30 GLN C C 13 175.43 0.05 . 1 . . . . 400 GLN C . 6787 1 331 . 1 1 30 30 GLN CA C 13 52.18 0.3 . 1 . . . . 400 GLN CA . 6787 1 332 . 1 1 30 30 GLN CB C 13 28.01 0.3 . 1 . . . . 400 GLN CB . 6787 1 333 . 1 1 30 30 GLN CG C 13 30.94 0.3 . 1 . . . . 400 GLN CG . 6787 1 334 . 1 1 30 30 GLN N N 15 125.95 0.1 . 1 . . . . 400 GLN N . 6787 1 335 . 1 1 30 30 GLN NE2 N 15 110.70 0.1 . 1 . . . . 400 GLN NE2 . 6787 1 336 . 1 1 31 31 CYS H H 1 9.25 0.02 . 1 . . . . 401 CYS H . 6787 1 337 . 1 1 31 31 CYS HA H 1 5.33 0.02 . 1 . . . . 401 CYS HA . 6787 1 338 . 1 1 31 31 CYS HB2 H 1 2.39 0.02 . 2 . . . . 401 CYS HB2 . 6787 1 339 . 1 1 31 31 CYS HB3 H 1 2.53 0.02 . 2 . . . . 401 CYS HB3 . 6787 1 340 . 1 1 31 31 CYS C C 13 174.07 0.05 . 1 . . . . 401 CYS C . 6787 1 341 . 1 1 31 31 CYS CA C 13 53.58 0.3 . 1 . . . . 401 CYS CA . 6787 1 342 . 1 1 31 31 CYS CB C 13 26.14 0.3 . 1 . . . . 401 CYS CB . 6787 1 343 . 1 1 31 31 CYS N N 15 125.63 0.1 . 1 . . . . 401 CYS N . 6787 1 344 . 1 1 32 32 THR H H 1 9.51 0.02 . 1 . . . . 402 THR H . 6787 1 345 . 1 1 32 32 THR HA H 1 4.06 0.02 . 1 . . . . 402 THR HA . 6787 1 346 . 1 1 32 32 THR HB H 1 4.05 0.02 . 1 . . . . 402 THR HB . 6787 1 347 . 1 1 32 32 THR HG21 H 1 0.91 0.02 . 1 . . . . 402 THR HG2 . 6787 1 348 . 1 1 32 32 THR HG22 H 1 0.91 0.02 . 1 . . . . 402 THR HG2 . 6787 1 349 . 1 1 32 32 THR HG23 H 1 0.91 0.02 . 1 . . . . 402 THR HG2 . 6787 1 350 . 1 1 32 32 THR C C 13 174.03 0.05 . 1 . . . . 402 THR C . 6787 1 351 . 1 1 32 32 THR CA C 13 59.64 0.3 . 1 . . . . 402 THR CA . 6787 1 352 . 1 1 32 32 THR CB C 13 66.802 0.3 . 1 . . . . 402 THR CB . 6787 1 353 . 1 1 32 32 THR CG2 C 13 18.35 0.3 . 1 . . . . 402 THR CG2 . 6787 1 354 . 1 1 32 32 THR N N 15 126.19 0.1 . 1 . . . . 402 THR N . 6787 1 355 . 1 1 33 33 ILE H H 1 9.29 0.02 . 1 . . . . 403 ILE H . 6787 1 356 . 1 1 33 33 ILE HA H 1 4.05 0.02 . 1 . . . . 403 ILE HA . 6787 1 357 . 1 1 33 33 ILE HB H 1 1.98 0.02 . 1 . . . . 403 ILE HB . 6787 1 358 . 1 1 33 33 ILE HG12 H 1 0.73 0.02 . 1 . . . . 403 ILE HG12 . 6787 1 359 . 1 1 33 33 ILE HG13 H 1 1.46 0.02 . 1 . . . . 403 ILE HG13 . 6787 1 360 . 1 1 33 33 ILE HG21 H 1 0.36 0.02 . 1 . . . . 403 ILE HG2 . 6787 1 361 . 1 1 33 33 ILE HG22 H 1 0.36 0.02 . 1 . . . . 403 ILE HG2 . 6787 1 362 . 1 1 33 33 ILE HG23 H 1 0.36 0.02 . 1 . . . . 403 ILE HG2 . 6787 1 363 . 1 1 33 33 ILE HD11 H 1 0.44 0.02 . 1 . . . . 403 ILE HD1 . 6787 1 364 . 1 1 33 33 ILE HD12 H 1 0.44 0.02 . 1 . . . . 403 ILE HD1 . 6787 1 365 . 1 1 33 33 ILE HD13 H 1 0.44 0.02 . 1 . . . . 403 ILE HD1 . 6787 1 366 . 1 1 33 33 ILE C C 13 175.15 0.05 . 1 . . . . 403 ILE C . 6787 1 367 . 1 1 33 33 ILE CA C 13 56.23 0.3 . 1 . . . . 403 ILE CA . 6787 1 368 . 1 1 33 33 ILE CB C 13 31.98 0.3 . 1 . . . . 403 ILE CB . 6787 1 369 . 1 1 33 33 ILE CD1 C 13 16.182 0.3 . 1 . . . . 403 ILE CD1 . 6787 1 370 . 1 1 33 33 ILE N N 15 129.15 0.1 . 1 . . . . 403 ILE N . 6787 1 371 . 1 1 34 34 ILE H H 1 8.35 0.02 . 1 . . . . 404 ILE H . 6787 1 372 . 1 1 34 34 ILE HA H 1 3.98 0.02 . 1 . . . . 404 ILE HA . 6787 1 373 . 1 1 34 34 ILE HB H 1 1.69 0.02 . 1 . . . . 404 ILE HB . 6787 1 374 . 1 1 34 34 ILE HG12 H 1 1.00 0.02 . 1 . . . . 404 ILE HG12 . 6787 1 375 . 1 1 34 34 ILE HG13 H 1 1.74 0.02 . 1 . . . . 404 ILE HG13 . 6787 1 376 . 1 1 34 34 ILE HG21 H 1 0.92 0.02 . 1 . . . . 404 ILE HG2 . 6787 1 377 . 1 1 34 34 ILE HG22 H 1 0.92 0.02 . 1 . . . . 404 ILE HG2 . 6787 1 378 . 1 1 34 34 ILE HG23 H 1 0.92 0.02 . 1 . . . . 404 ILE HG2 . 6787 1 379 . 1 1 34 34 ILE HD11 H 1 0.79 0.02 . 1 . . . . 404 ILE HD1 . 6787 1 380 . 1 1 34 34 ILE HD12 H 1 0.79 0.02 . 1 . . . . 404 ILE HD1 . 6787 1 381 . 1 1 34 34 ILE HD13 H 1 0.79 0.02 . 1 . . . . 404 ILE HD1 . 6787 1 382 . 1 1 34 34 ILE C C 13 176.41 0.05 . 1 . . . . 404 ILE C . 6787 1 383 . 1 1 34 34 ILE CA C 13 63.01 0.3 . 1 . . . . 404 ILE CA . 6787 1 384 . 1 1 34 34 ILE CB C 13 36.24 0.3 . 1 . . . . 404 ILE CB . 6787 1 385 . 1 1 34 34 ILE CG1 C 13 25.68 0.3 . 1 . . . . 404 ILE CG1 . 6787 1 386 . 1 1 34 34 ILE CG2 C 13 13.87 0.3 . 1 . . . . 404 ILE CG2 . 6787 1 387 . 1 1 34 34 ILE CD1 C 13 11.04 0.3 . 1 . . . . 404 ILE CD1 . 6787 1 388 . 1 1 34 34 ILE N N 15 128.67 0.1 . 1 . . . . 404 ILE N . 6787 1 389 . 1 1 35 35 ARG H H 1 8.09 0.02 . 1 . . . . 405 ARG H . 6787 1 390 . 1 1 35 35 ARG HA H 1 5.45 0.02 . 1 . . . . 405 ARG HA . 6787 1 391 . 1 1 35 35 ARG HB2 H 1 1.74 0.02 . 2 . . . . 405 ARG HB2 . 6787 1 392 . 1 1 35 35 ARG HB3 H 1 1.97 0.02 . 2 . . . . 405 ARG HB3 . 6787 1 393 . 1 1 35 35 ARG HG2 H 1 1.75 0.02 . 1 . . . . 405 ARG HG2 . 6787 1 394 . 1 1 35 35 ARG HG3 H 1 1.74 0.02 . 1 . . . . 405 ARG HG3 . 6787 1 395 . 1 1 35 35 ARG HD2 H 1 3.07 0.02 . 2 . . . . 405 ARG HD2 . 6787 1 396 . 1 1 35 35 ARG HD3 H 1 3.12 0.02 . 2 . . . . 405 ARG HD3 . 6787 1 397 . 1 1 35 35 ARG C C 13 172.86 0.05 . 1 . . . . 405 ARG C . 6787 1 398 . 1 1 35 35 ARG CA C 13 51.99 0.3 . 1 . . . . 405 ARG CA . 6787 1 399 . 1 1 35 35 ARG CB C 13 30.57 0.3 . 1 . . . . 405 ARG CB . 6787 1 400 . 1 1 35 35 ARG CG C 13 22.17 0.3 . 1 . . . . 405 ARG CG . 6787 1 401 . 1 1 35 35 ARG CD C 13 41.02 0.3 . 1 . . . . 405 ARG CD . 6787 1 402 . 1 1 35 35 ARG N N 15 110.85 0.1 . 1 . . . . 405 ARG N . 6787 1 403 . 1 1 36 36 ALA H H 1 8.89 0.02 . 1 . . . . 406 ALA H . 6787 1 404 . 1 1 36 36 ALA HA H 1 5.71 0.02 . 1 . . . . 406 ALA HA . 6787 1 405 . 1 1 36 36 ALA HB1 H 1 1.49 0.02 . 1 . . . . 406 ALA HB . 6787 1 406 . 1 1 36 36 ALA HB2 H 1 1.49 0.02 . 1 . . . . 406 ALA HB . 6787 1 407 . 1 1 36 36 ALA HB3 H 1 1.49 0.02 . 1 . . . . 406 ALA HB . 6787 1 408 . 1 1 36 36 ALA C C 13 175.97 0.05 . 1 . . . . 406 ALA C . 6787 1 409 . 1 1 36 36 ALA CA C 13 47.52 0.3 . 1 . . . . 406 ALA CA . 6787 1 410 . 1 1 36 36 ALA CB C 13 20.07 0.3 . 1 . . . . 406 ALA CB . 6787 1 411 . 1 1 36 36 ALA N N 15 120.31 0.1 . 1 . . . . 406 ALA N . 6787 1 412 . 1 1 37 37 LYS H H 1 8.74 0.02 . 1 . . . . 407 LYS H . 6787 1 413 . 1 1 37 37 LYS HA H 1 5.14 0.02 . 1 . . . . 407 LYS HA . 6787 1 414 . 1 1 37 37 LYS HB2 H 1 1.69 0.02 . 2 . . . . 407 LYS HB2 . 6787 1 415 . 1 1 37 37 LYS HB3 H 1 1.53 0.02 . 2 . . . . 407 LYS HB3 . 6787 1 416 . 1 1 37 37 LYS HG2 H 1 1.16 0.02 . 2 . . . . 407 LYS HG2 . 6787 1 417 . 1 1 37 37 LYS HG3 H 1 1.24 0.02 . 2 . . . . 407 LYS HG3 . 6787 1 418 . 1 1 37 37 LYS HD2 H 1 1.52 0.02 . 1 . . . . 407 LYS HD2 . 6787 1 419 . 1 1 37 37 LYS HD3 H 1 1.52 0.02 . 1 . . . . 407 LYS HD3 . 6787 1 420 . 1 1 37 37 LYS HE2 H 1 2.65 0.02 . 1 . . . . 407 LYS HE2 . 6787 1 421 . 1 1 37 37 LYS HE3 H 1 2.65 0.02 . 1 . . . . 407 LYS HE3 . 6787 1 422 . 1 1 37 37 LYS C C 13 177.44 0.05 . 1 . . . . 407 LYS C . 6787 1 423 . 1 1 37 37 LYS CA C 13 51.76 0.3 . 1 . . . . 407 LYS CA . 6787 1 424 . 1 1 37 37 LYS CB C 13 33.87 0.3 . 1 . . . . 407 LYS CB . 6787 1 425 . 1 1 37 37 LYS CG C 13 22.17 0.3 . 1 . . . . 407 LYS CG . 6787 1 426 . 1 1 37 37 LYS CD C 13 26.57 0.3 . 1 . . . . 407 LYS CD . 6787 1 427 . 1 1 37 37 LYS N N 15 118.87 0.1 . 1 . . . . 407 LYS N . 6787 1 428 . 1 1 38 38 GLY H H 1 8.64 0.02 . 1 . . . . 408 GLY H . 6787 1 429 . 1 1 38 38 GLY HA2 H 1 3.66 0.02 . 1 . . . . 408 GLY HA2 . 6787 1 430 . 1 1 38 38 GLY HA3 H 1 3.66 0.02 . 1 . . . . 408 GLY HA3 . 6787 1 431 . 1 1 38 38 GLY C C 13 174.96 0.05 . 1 . . . . 408 GLY C . 6787 1 432 . 1 1 38 38 GLY CA C 13 44.54 0.3 . 1 . . . . 408 GLY CA . 6787 1 433 . 1 1 38 38 GLY N N 15 112.66 0.1 . 1 . . . . 408 GLY N . 6787 1 434 . 1 1 39 39 LEU H H 1 8.27 0.02 . 1 . . . . 409 LEU H . 6787 1 435 . 1 1 39 39 LEU HA H 1 4.44 0.02 . 1 . . . . 409 LEU HA . 6787 1 436 . 1 1 39 39 LEU HB2 H 1 1.21 0.02 . 2 . . . . 409 LEU HB2 . 6787 1 437 . 1 1 39 39 LEU HB3 H 1 1.45 0.02 . 2 . . . . 409 LEU HB3 . 6787 1 438 . 1 1 39 39 LEU HG H 1 1.18 0.02 . 1 . . . . 409 LEU HG . 6787 1 439 . 1 1 39 39 LEU HD11 H 1 0.61 0.02 . 2 . . . . 409 LEU HD1 . 6787 1 440 . 1 1 39 39 LEU HD12 H 1 0.61 0.02 . 2 . . . . 409 LEU HD1 . 6787 1 441 . 1 1 39 39 LEU HD13 H 1 0.61 0.02 . 2 . . . . 409 LEU HD1 . 6787 1 442 . 1 1 39 39 LEU HD21 H 1 0.82 0.02 . 2 . . . . 409 LEU HD2 . 6787 1 443 . 1 1 39 39 LEU HD22 H 1 0.82 0.02 . 2 . . . . 409 LEU HD2 . 6787 1 444 . 1 1 39 39 LEU HD23 H 1 0.82 0.02 . 2 . . . . 409 LEU HD2 . 6787 1 445 . 1 1 39 39 LEU C C 13 176.94 0.05 . 1 . . . . 409 LEU C . 6787 1 446 . 1 1 39 39 LEU CA C 13 52.11 0.3 . 1 . . . . 409 LEU CA . 6787 1 447 . 1 1 39 39 LEU CB C 13 39.76 0.3 . 1 . . . . 409 LEU CB . 6787 1 448 . 1 1 39 39 LEU CG C 13 24.48 0.3 . 1 . . . . 409 LEU CG . 6787 1 449 . 1 1 39 39 LEU CD1 C 13 24.19 0.3 . 1 . . . . 409 LEU CD1 . 6787 1 450 . 1 1 39 39 LEU CD2 C 13 24.32 0.3 . 1 . . . . 409 LEU CD2 . 6787 1 451 . 1 1 39 39 LEU N N 15 116.11 0.1 . 1 . . . . 409 LEU N . 6787 1 452 . 1 1 40 40 LYS H H 1 6.97 0.02 . 1 . . . . 410 LYS H . 6787 1 453 . 1 1 40 40 LYS HA H 1 4.30 0.02 . 1 . . . . 410 LYS HA . 6787 1 454 . 1 1 40 40 LYS HB2 H 1 1.64 0.02 . 2 . . . . 410 LYS HB2 . 6787 1 455 . 1 1 40 40 LYS HB3 H 1 1.82 0.02 . 2 . . . . 410 LYS HB3 . 6787 1 456 . 1 1 40 40 LYS HG2 H 1 0.70 0.02 . 1 . . . . 410 LYS HG2 . 6787 1 457 . 1 1 40 40 LYS HG3 H 1 0.70 0.02 . 1 . . . . 410 LYS HG3 . 6787 1 458 . 1 1 40 40 LYS HE2 H 1 3.01 0.02 . 1 . . . . 410 LYS HE2 . 6787 1 459 . 1 1 40 40 LYS HE3 H 1 3.01 0.02 . 1 . . . . 410 LYS HE3 . 6787 1 460 . 1 1 40 40 LYS C C 13 176.42 0.05 . 1 . . . . 410 LYS C . 6787 1 461 . 1 1 40 40 LYS CA C 13 51.81 0.3 . 1 . . . . 410 LYS CA . 6787 1 462 . 1 1 40 40 LYS CB C 13 31.89 0.3 . 1 . . . . 410 LYS CB . 6787 1 463 . 1 1 40 40 LYS CG C 13 20.508 0.3 . 1 . . . . 410 LYS CG . 6787 1 464 . 1 1 40 40 LYS CE C 13 39.39 0.3 . 1 . . . . 410 LYS CE . 6787 1 465 . 1 1 40 40 LYS N N 15 123.73 0.1 . 1 . . . . 410 LYS N . 6787 1 466 . 1 1 41 41 PRO C C 13 178.46 0.05 . 1 . . . . 411 PRO C . 6787 1 467 . 1 1 42 42 MET H H 1 8.08 0.02 . 1 . . . . 412 MET H . 6787 1 468 . 1 1 42 42 MET HA H 1 4.99 0.02 . 1 . . . . 412 MET HA . 6787 1 469 . 1 1 42 42 MET HB2 H 1 1.83 0.02 . 2 . . . . 412 MET HB2 . 6787 1 470 . 1 1 42 42 MET HB3 H 1 2.03 0.02 . 2 . . . . 412 MET HB3 . 6787 1 471 . 1 1 42 42 MET HG2 H 1 2.15 0.02 . 2 . . . . 412 MET HG2 . 6787 1 472 . 1 1 42 42 MET HG3 H 1 3.04 0.02 . 2 . . . . 412 MET HG3 . 6787 1 473 . 1 1 42 42 MET C C 13 176.13 0.05 . 1 . . . . 412 MET C . 6787 1 474 . 1 1 42 42 MET CA C 13 50.35 0.3 . 1 . . . . 412 MET CA . 6787 1 475 . 1 1 42 42 MET CB C 13 31.14 0.3 . 1 . . . . 412 MET CB . 6787 1 476 . 1 1 42 42 MET CG C 13 29.21 0.3 . 1 . . . . 412 MET CG . 6787 1 477 . 1 1 42 42 MET N N 15 119.98 0.1 . 1 . . . . 412 MET N . 6787 1 478 . 1 1 43 43 ASP H H 1 7.64 0.02 . 1 . . . . 413 ASP H . 6787 1 479 . 1 1 43 43 ASP HA H 1 5.37 0.02 . 1 . . . . 413 ASP HA . 6787 1 480 . 1 1 43 43 ASP HB2 H 1 2.68 0.02 . 2 . . . . 413 ASP HB2 . 6787 1 481 . 1 1 43 43 ASP HB3 H 1 2.83 0.02 . 2 . . . . 413 ASP HB3 . 6787 1 482 . 1 1 43 43 ASP CA C 13 49.98 0.3 . 1 . . . . 413 ASP CA . 6787 1 483 . 1 1 43 43 ASP CB C 13 42.70 0.3 . 1 . . . . 413 ASP CB . 6787 1 484 . 1 1 43 43 ASP N N 15 123.09 0.1 . 1 . . . . 413 ASP N . 6787 1 485 . 1 1 44 44 SER HB2 H 1 3.92 0.02 . 2 . . . . 414 SER HB2 . 6787 1 486 . 1 1 44 44 SER HB3 H 1 4.18 0.02 . 2 . . . . 414 SER HB3 . 6787 1 487 . 1 1 44 44 SER C C 13 174.47 0.05 . 1 . . . . 414 SER C . 6787 1 488 . 1 1 44 44 SER CB C 13 60.13 0.3 . 1 . . . . 414 SER CB . 6787 1 489 . 1 1 45 45 ASN H H 1 7.65 0.02 . 1 . . . . 415 ASN H . 6787 1 490 . 1 1 45 45 ASN HA H 1 4.48 0.02 . 1 . . . . 415 ASN HA . 6787 1 491 . 1 1 45 45 ASN HB2 H 1 2.77 0.02 . 2 . . . . 415 ASN HB2 . 6787 1 492 . 1 1 45 45 ASN HB3 H 1 3.11 0.02 . 2 . . . . 415 ASN HB3 . 6787 1 493 . 1 1 45 45 ASN HD21 H 1 7.23 0.02 . 2 . . . . 415 ASN HD21 . 6787 1 494 . 1 1 45 45 ASN HD22 H 1 7.65 0.02 . 2 . . . . 415 ASN HD22 . 6787 1 495 . 1 1 45 45 ASN C C 13 176.25 0.05 . 1 . . . . 415 ASN C . 6787 1 496 . 1 1 45 45 ASN CA C 13 50.06 0.3 . 1 . . . . 415 ASN CA . 6787 1 497 . 1 1 45 45 ASN CB C 13 34.52 0.3 . 1 . . . . 415 ASN CB . 6787 1 498 . 1 1 45 45 ASN N N 15 118.65 0.1 . 1 . . . . 415 ASN N . 6787 1 499 . 1 1 45 45 ASN ND2 N 15 110.25 0.1 . 1 . . . . 415 ASN ND2 . 6787 1 500 . 1 1 46 46 GLY H H 1 8.20 0.02 . 1 . . . . 416 GLY H . 6787 1 501 . 1 1 46 46 GLY HA2 H 1 3.72 0.02 . 2 . . . . 416 GLY HA2 . 6787 1 502 . 1 1 46 46 GLY HA3 H 1 4.15 0.02 . 2 . . . . 416 GLY HA3 . 6787 1 503 . 1 1 46 46 GLY C C 13 174.00 0.05 . 1 . . . . 416 GLY C . 6787 1 504 . 1 1 46 46 GLY CA C 13 42.70 0.3 . 1 . . . . 416 GLY CA . 6787 1 505 . 1 1 46 46 GLY N N 15 107.40 0.1 . 1 . . . . 416 GLY N . 6787 1 506 . 1 1 47 47 LEU H H 1 7.94 0.02 . 1 . . . . 417 LEU H . 6787 1 507 . 1 1 47 47 LEU HA H 1 4.47 0.02 . 1 . . . . 417 LEU HA . 6787 1 508 . 1 1 47 47 LEU HB2 H 1 1.87 0.02 . 1 . . . . 417 LEU HB2 . 6787 1 509 . 1 1 47 47 LEU HB3 H 1 1.87 0.02 . 1 . . . . 417 LEU HB3 . 6787 1 510 . 1 1 47 47 LEU HD11 H 1 0.70 0.02 . 2 . . . . 417 LEU HD1 . 6787 1 511 . 1 1 47 47 LEU HD12 H 1 0.70 0.02 . 2 . . . . 417 LEU HD1 . 6787 1 512 . 1 1 47 47 LEU HD13 H 1 0.70 0.02 . 2 . . . . 417 LEU HD1 . 6787 1 513 . 1 1 47 47 LEU HD21 H 1 0.93 0.02 . 2 . . . . 417 LEU HD2 . 6787 1 514 . 1 1 47 47 LEU HD22 H 1 0.93 0.02 . 2 . . . . 417 LEU HD2 . 6787 1 515 . 1 1 47 47 LEU HD23 H 1 0.93 0.02 . 2 . . . . 417 LEU HD2 . 6787 1 516 . 1 1 47 47 LEU C C 13 173.30 0.05 . 1 . . . . 417 LEU C . 6787 1 517 . 1 1 47 47 LEU CA C 13 49.85 0.3 . 1 . . . . 417 LEU CA . 6787 1 518 . 1 1 47 47 LEU CB C 13 39.83 0.3 . 1 . . . . 417 LEU CB . 6787 1 519 . 1 1 47 47 LEU CD1 C 13 20.62 0.3 . 1 . . . . 417 LEU CD1 . 6787 1 520 . 1 1 47 47 LEU N N 15 120.13 0.1 . 1 . . . . 417 LEU N . 6787 1 521 . 1 1 48 48 ALA H H 1 7.28 0.02 . 1 . . . . 418 ALA H . 6787 1 522 . 1 1 48 48 ALA HA H 1 4.23 0.02 . 1 . . . . 418 ALA HA . 6787 1 523 . 1 1 48 48 ALA HB1 H 1 1.11 0.02 . 1 . . . . 418 ALA HB . 6787 1 524 . 1 1 48 48 ALA HB2 H 1 1.11 0.02 . 1 . . . . 418 ALA HB . 6787 1 525 . 1 1 48 48 ALA HB3 H 1 1.11 0.02 . 1 . . . . 418 ALA HB . 6787 1 526 . 1 1 48 48 ALA C C 13 174.31 0.05 . 1 . . . . 418 ALA C . 6787 1 527 . 1 1 48 48 ALA CA C 13 48.78 0.3 . 1 . . . . 418 ALA CA . 6787 1 528 . 1 1 48 48 ALA CB C 13 18.33 0.3 . 1 . . . . 418 ALA CB . 6787 1 529 . 1 1 48 48 ALA N N 15 120.23 0.1 . 1 . . . . 418 ALA N . 6787 1 530 . 1 1 49 49 ASP H H 1 8.50 0.02 . 1 . . . . 419 ASP H . 6787 1 531 . 1 1 49 49 ASP HA H 1 6.03 0.02 . 1 . . . . 419 ASP HA . 6787 1 532 . 1 1 49 49 ASP HB2 H 1 2.36 0.02 . 2 . . . . 419 ASP HB2 . 6787 1 533 . 1 1 49 49 ASP HB3 H 1 3.49 0.02 . 2 . . . . 419 ASP HB3 . 6787 1 534 . 1 1 49 49 ASP C C 13 176.97 0.05 . 1 . . . . 419 ASP C . 6787 1 535 . 1 1 49 49 ASP CA C 13 49.28 0.3 . 1 . . . . 419 ASP CA . 6787 1 536 . 1 1 49 49 ASP CB C 13 39.77 0.3 . 1 . . . . 419 ASP CB . 6787 1 537 . 1 1 49 49 ASP N N 15 117.95 0.1 . 1 . . . . 419 ASP N . 6787 1 538 . 1 1 50 50 PRO HA H 1 5.88 0.02 . 1 . . . . 420 PRO HA . 6787 1 539 . 1 1 50 50 PRO HB2 H 1 1.91 0.02 . 2 . . . . 420 PRO HB2 . 6787 1 540 . 1 1 50 50 PRO HB3 H 1 1.87 0.02 . 2 . . . . 420 PRO HB3 . 6787 1 541 . 1 1 50 50 PRO HG2 H 1 1.42 0.02 . 2 . . . . 420 PRO HG2 . 6787 1 542 . 1 1 50 50 PRO HG3 H 1 1.66 0.02 . 2 . . . . 420 PRO HG3 . 6787 1 543 . 1 1 50 50 PRO HD2 H 1 3.62 0.02 . 2 . . . . 420 PRO HD2 . 6787 1 544 . 1 1 50 50 PRO HD3 H 1 3.79 0.02 . 2 . . . . 420 PRO HD3 . 6787 1 545 . 1 1 50 50 PRO C C 13 177.11 0.05 . 1 . . . . 420 PRO C . 6787 1 546 . 1 1 50 50 PRO CA C 13 60.29 0.3 . 1 . . . . 420 PRO CA . 6787 1 547 . 1 1 50 50 PRO CB C 13 31.42 0.3 . 1 . . . . 420 PRO CB . 6787 1 548 . 1 1 50 50 PRO CG C 13 25.78 0.3 . 1 . . . . 420 PRO CG . 6787 1 549 . 1 1 50 50 PRO CD C 13 48.41 0.3 . 1 . . . . 420 PRO CD . 6787 1 550 . 1 1 51 51 TYR H H 1 8.79 0.02 . 1 . . . . 421 TYR H . 6787 1 551 . 1 1 51 51 TYR HA H 1 4.74 0.02 . 1 . . . . 421 TYR HA . 6787 1 552 . 1 1 51 51 TYR HB2 H 1 2.54 0.02 . 2 . . . . 421 TYR HB2 . 6787 1 553 . 1 1 51 51 TYR HB3 H 1 3.11 0.02 . 2 . . . . 421 TYR HB3 . 6787 1 554 . 1 1 51 51 TYR HD1 H 1 6.97 0.02 . 1 . . . . 421 TYR HD1 . 6787 1 555 . 1 1 51 51 TYR HD2 H 1 6.97 0.02 . 1 . . . . 421 TYR HD2 . 6787 1 556 . 1 1 51 51 TYR HE1 H 1 6.78 0.02 . 1 . . . . 421 TYR HE1 . 6787 1 557 . 1 1 51 51 TYR HE2 H 1 6.78 0.02 . 1 . . . . 421 TYR HE2 . 6787 1 558 . 1 1 51 51 TYR C C 13 171.77 0.05 . 1 . . . . 421 TYR C . 6787 1 559 . 1 1 51 51 TYR CA C 13 53.81 0.3 . 1 . . . . 421 TYR CA . 6787 1 560 . 1 1 51 51 TYR CB C 13 39.26 0.3 . 1 . . . . 421 TYR CB . 6787 1 561 . 1 1 51 51 TYR N N 15 116.55 0.1 . 1 . . . . 421 TYR N . 6787 1 562 . 1 1 52 52 VAL H H 1 7.98 0.02 . 1 . . . . 422 VAL H . 6787 1 563 . 1 1 52 52 VAL HA H 1 4.76 0.02 . 1 . . . . 422 VAL HA . 6787 1 564 . 1 1 52 52 VAL HB H 1 1.12 0.02 . 1 . . . . 422 VAL HB . 6787 1 565 . 1 1 52 52 VAL HG11 H 1 -0.13 0.02 . 2 . . . . 422 VAL HG1 . 6787 1 566 . 1 1 52 52 VAL HG12 H 1 -0.13 0.02 . 2 . . . . 422 VAL HG1 . 6787 1 567 . 1 1 52 52 VAL HG13 H 1 -0.13 0.02 . 2 . . . . 422 VAL HG1 . 6787 1 568 . 1 1 52 52 VAL HG21 H 1 0.38 0.02 . 2 . . . . 422 VAL HG2 . 6787 1 569 . 1 1 52 52 VAL HG22 H 1 0.38 0.02 . 2 . . . . 422 VAL HG2 . 6787 1 570 . 1 1 52 52 VAL HG23 H 1 0.38 0.02 . 2 . . . . 422 VAL HG2 . 6787 1 571 . 1 1 52 52 VAL C C 13 174.70 0.05 . 1 . . . . 422 VAL C . 6787 1 572 . 1 1 52 52 VAL CA C 13 57.73 0.3 . 1 . . . . 422 VAL CA . 6787 1 573 . 1 1 52 52 VAL CB C 13 30.81 0.3 . 1 . . . . 422 VAL CB . 6787 1 574 . 1 1 52 52 VAL CG1 C 13 19.92 0.3 . 1 . . . . 422 VAL CG1 . 6787 1 575 . 1 1 52 52 VAL CG2 C 13 19.92 0.3 . 1 . . . . 422 VAL CG2 . 6787 1 576 . 1 1 52 52 VAL N N 15 120.00 0.1 . 1 . . . . 422 VAL N . 6787 1 577 . 1 1 53 53 LYS H H 1 9.06 0.02 . 1 . . . . 423 LYS H . 6787 1 578 . 1 1 53 53 LYS HA H 1 5.01 0.02 . 1 . . . . 423 LYS HA . 6787 1 579 . 1 1 53 53 LYS HB2 H 1 1.68 0.02 . 2 . . . . 423 LYS HB2 . 6787 1 580 . 1 1 53 53 LYS HB3 H 1 1.80 0.02 . 2 . . . . 423 LYS HB3 . 6787 1 581 . 1 1 53 53 LYS HG2 H 1 1.54 0.02 . 2 . . . . 423 LYS HG2 . 6787 1 582 . 1 1 53 53 LYS HG3 H 1 1.80 0.02 . 2 . . . . 423 LYS HG3 . 6787 1 583 . 1 1 53 53 LYS HE2 H 1 3.02 0.02 . 1 . . . . 423 LYS HE2 . 6787 1 584 . 1 1 53 53 LYS HE3 H 1 3.02 0.02 . 1 . . . . 423 LYS HE3 . 6787 1 585 . 1 1 53 53 LYS C C 13 174.81 0.05 . 1 . . . . 423 LYS C . 6787 1 586 . 1 1 53 53 LYS CA C 13 52.23 0.3 . 1 . . . . 423 LYS CA . 6787 1 587 . 1 1 53 53 LYS CB C 13 33.61 0.3 . 1 . . . . 423 LYS CB . 6787 1 588 . 1 1 53 53 LYS CG C 13 27.779 0.3 . 1 . . . . 423 LYS CG . 6787 1 589 . 1 1 53 53 LYS CE C 13 39.61 0.3 . 1 . . . . 423 LYS CE . 6787 1 590 . 1 1 53 53 LYS N N 15 124.85 0.1 . 1 . . . . 423 LYS N . 6787 1 591 . 1 1 54 54 LEU H H 1 8.74 0.02 . 1 . . . . 424 LEU H . 6787 1 592 . 1 1 54 54 LEU HA H 1 5.16 0.02 . 1 . . . . 424 LEU HA . 6787 1 593 . 1 1 54 54 LEU HB2 H 1 1.57 0.02 . 2 . . . . 424 LEU HB2 . 6787 1 594 . 1 1 54 54 LEU HB3 H 1 1.68 0.02 . 2 . . . . 424 LEU HB3 . 6787 1 595 . 1 1 54 54 LEU HG H 1 1.40 0.02 . 1 . . . . 424 LEU HG . 6787 1 596 . 1 1 54 54 LEU HD11 H 1 0.66 0.02 . 1 . . . . 424 LEU HD1 . 6787 1 597 . 1 1 54 54 LEU HD12 H 1 0.66 0.02 . 1 . . . . 424 LEU HD1 . 6787 1 598 . 1 1 54 54 LEU HD13 H 1 0.66 0.02 . 1 . . . . 424 LEU HD1 . 6787 1 599 . 1 1 54 54 LEU C C 13 176.44 0.05 . 1 . . . . 424 LEU C . 6787 1 600 . 1 1 54 54 LEU CA C 13 50.94 0.3 . 1 . . . . 424 LEU CA . 6787 1 601 . 1 1 54 54 LEU CB C 13 42.14 0.3 . 1 . . . . 424 LEU CB . 6787 1 602 . 1 1 54 54 LEU CG C 13 25.43 0.3 . 1 . . . . 424 LEU CG . 6787 1 603 . 1 1 54 54 LEU CD1 C 13 23.44 0.3 . 1 . . . . 424 LEU CD1 . 6787 1 604 . 1 1 54 54 LEU N N 15 123.57 0.1 . 1 . . . . 424 LEU N . 6787 1 605 . 1 1 55 55 HIS H H 1 8.77 0.02 . 1 . . . . 425 HIS H . 6787 1 606 . 1 1 55 55 HIS HA H 1 5.15 0.02 . 1 . . . . 425 HIS HA . 6787 1 607 . 1 1 55 55 HIS HB2 H 1 2.91 0.02 . 2 . . . . 425 HIS HB2 . 6787 1 608 . 1 1 55 55 HIS HB3 H 1 3.03 0.02 . 2 . . . . 425 HIS HB3 . 6787 1 609 . 1 1 55 55 HIS HD1 H 1 7.07 0.02 . 1 . . . . 425 HIS HD1 . 6787 1 610 . 1 1 55 55 HIS HD2 H 1 7.07 0.02 . 1 . . . . 425 HIS HD2 . 6787 1 611 . 1 1 55 55 HIS HE1 H 1 7.39 0.02 . 1 . . . . 425 HIS HE1 . 6787 1 612 . 1 1 55 55 HIS C C 13 173.51 0.05 . 1 . . . . 425 HIS C . 6787 1 613 . 1 1 55 55 HIS CA C 13 52.02 0.3 . 1 . . . . 425 HIS CA . 6787 1 614 . 1 1 55 55 HIS CB C 13 31.58 0.3 . 1 . . . . 425 HIS CB . 6787 1 615 . 1 1 55 55 HIS N N 15 119.91 0.1 . 1 . . . . 425 HIS N . 6787 1 616 . 1 1 56 56 LEU H H 1 8.10 0.02 . 1 . . . . 426 LEU H . 6787 1 617 . 1 1 56 56 LEU HA H 1 4.77 0.02 . 1 . . . . 426 LEU HA . 6787 1 618 . 1 1 56 56 LEU HB2 H 1 1.09 0.02 . 2 . . . . 426 LEU HB2 . 6787 1 619 . 1 1 56 56 LEU HB3 H 1 1.15 0.02 . 2 . . . . 426 LEU HB3 . 6787 1 620 . 1 1 56 56 LEU HD11 H 1 0.13 0.02 . 1 . . . . 426 LEU HD1 . 6787 1 621 . 1 1 56 56 LEU HD12 H 1 0.13 0.02 . 1 . . . . 426 LEU HD1 . 6787 1 622 . 1 1 56 56 LEU HD13 H 1 0.13 0.02 . 1 . . . . 426 LEU HD1 . 6787 1 623 . 1 1 56 56 LEU HD21 H 1 0.26 0.02 . 1 . . . . 426 LEU HD2 . 6787 1 624 . 1 1 56 56 LEU HD22 H 1 0.26 0.02 . 1 . . . . 426 LEU HD2 . 6787 1 625 . 1 1 56 56 LEU HD23 H 1 0.26 0.02 . 1 . . . . 426 LEU HD2 . 6787 1 626 . 1 1 56 56 LEU C C 13 175.09 0.05 . 1 . . . . 426 LEU C . 6787 1 627 . 1 1 56 56 LEU CA C 13 51.68 0.3 . 1 . . . . 426 LEU CA . 6787 1 628 . 1 1 56 56 LEU CB C 13 40.60 0.3 . 1 . . . . 426 LEU CB . 6787 1 629 . 1 1 56 56 LEU CD1 C 13 22.01 0.3 . 1 . . . . 426 LEU CD1 . 6787 1 630 . 1 1 56 56 LEU CD2 C 13 22.01 0.3 . 1 . . . . 426 LEU CD2 . 6787 1 631 . 1 1 56 56 LEU N N 15 127.11 0.1 . 1 . . . . 426 LEU N . 6787 1 632 . 1 1 57 57 LEU H H 1 8.98 0.02 . 1 . . . . 427 LEU H . 6787 1 633 . 1 1 57 57 LEU HA H 1 4.47 0.02 . 1 . . . . 427 LEU HA . 6787 1 634 . 1 1 57 57 LEU HB2 H 1 1.28 0.02 . 2 . . . . 427 LEU HB2 . 6787 1 635 . 1 1 57 57 LEU HB3 H 1 1.46 0.02 . 2 . . . . 427 LEU HB3 . 6787 1 636 . 1 1 57 57 LEU HD11 H 1 0.53 0.02 . 1 . . . . 427 LEU HD1 . 6787 1 637 . 1 1 57 57 LEU HD12 H 1 0.53 0.02 . 1 . . . . 427 LEU HD1 . 6787 1 638 . 1 1 57 57 LEU HD13 H 1 0.53 0.02 . 1 . . . . 427 LEU HD1 . 6787 1 639 . 1 1 57 57 LEU HD21 H 1 0.63 0.02 . 1 . . . . 427 LEU HD2 . 6787 1 640 . 1 1 57 57 LEU HD22 H 1 0.63 0.02 . 1 . . . . 427 LEU HD2 . 6787 1 641 . 1 1 57 57 LEU HD23 H 1 0.63 0.02 . 1 . . . . 427 LEU HD2 . 6787 1 642 . 1 1 57 57 LEU C C 13 175.29 0.05 . 1 . . . . 427 LEU C . 6787 1 643 . 1 1 57 57 LEU CB C 13 41.51 0.3 . 1 . . . . 427 LEU CB . 6787 1 644 . 1 1 57 57 LEU N N 15 124.85 0.1 . 1 . . . . 427 LEU N . 6787 1 645 . 1 1 58 58 PRO HA H 1 4.51 0.02 . 1 . . . . 428 PRO HA . 6787 1 646 . 1 1 58 58 PRO HB2 H 1 2.04 0.02 . 2 . . . . 428 PRO HB2 . 6787 1 647 . 1 1 58 58 PRO HB3 H 1 2.35 0.02 . 2 . . . . 428 PRO HB3 . 6787 1 648 . 1 1 58 58 PRO HG2 H 1 1.74 0.02 . 2 . . . . 428 PRO HG2 . 6787 1 649 . 1 1 58 58 PRO HG3 H 1 1.84 0.02 . 2 . . . . 428 PRO HG3 . 6787 1 650 . 1 1 58 58 PRO HD2 H 1 3.44 0.02 . 2 . . . . 428 PRO HD2 . 6787 1 651 . 1 1 58 58 PRO HD3 H 1 3.54 0.02 . 2 . . . . 428 PRO HD3 . 6787 1 652 . 1 1 58 58 PRO C C 13 176.82 0.05 . 1 . . . . 428 PRO C . 6787 1 653 . 1 1 58 58 PRO CA C 13 60.27 0.3 . 1 . . . . 428 PRO CA . 6787 1 654 . 1 1 58 58 PRO CB C 13 32.15 0.3 . 1 . . . . 428 PRO CB . 6787 1 655 . 1 1 58 58 PRO CG C 13 27.14 0.3 . 1 . . . . 428 PRO CG . 6787 1 656 . 1 1 58 58 PRO CD C 13 47.67 0.3 . 1 . . . . 428 PRO CD . 6787 1 657 . 1 1 59 59 GLY H H 1 8.51 0.02 . 1 . . . . 429 GLY H . 6787 1 658 . 1 1 59 59 GLY HA2 H 1 4.19 0.02 . 2 . . . . 429 GLY HA2 . 6787 1 659 . 1 1 59 59 GLY HA3 H 1 3.82 0.02 . 2 . . . . 429 GLY HA3 . 6787 1 660 . 1 1 59 59 GLY C C 13 174.04 0.05 . 1 . . . . 429 GLY C . 6787 1 661 . 1 1 59 59 GLY CA C 13 43.41 0.3 . 1 . . . . 429 GLY CA . 6787 1 662 . 1 1 59 59 GLY N N 15 109.25 0.1 . 1 . . . . 429 GLY N . 6787 1 663 . 1 1 60 60 ALA H H 1 8.48 0.02 . 1 . . . . 430 ALA H . 6787 1 664 . 1 1 60 60 ALA HA H 1 4.46 0.02 . 1 . . . . 430 ALA HA . 6787 1 665 . 1 1 60 60 ALA HB1 H 1 1.39 0.02 . 1 . . . . 430 ALA HB . 6787 1 666 . 1 1 60 60 ALA HB2 H 1 1.39 0.02 . 1 . . . . 430 ALA HB . 6787 1 667 . 1 1 60 60 ALA HB3 H 1 1.39 0.02 . 1 . . . . 430 ALA HB . 6787 1 668 . 1 1 60 60 ALA C C 13 178.53 0.05 . 1 . . . . 430 ALA C . 6787 1 669 . 1 1 60 60 ALA CA C 13 50.07 0.3 . 1 . . . . 430 ALA CA . 6787 1 670 . 1 1 60 60 ALA CB C 13 16.77 0.3 . 1 . . . . 430 ALA CB . 6787 1 671 . 1 1 60 60 ALA N N 15 126.16 0.1 . 1 . . . . 430 ALA N . 6787 1 672 . 1 1 61 61 SER H H 1 8.26 0.02 . 1 . . . . 431 SER H . 6787 1 673 . 1 1 61 61 SER HA H 1 4.34 0.02 . 1 . . . . 431 SER HA . 6787 1 674 . 1 1 61 61 SER HB2 H 1 3.96 0.02 . 2 . . . . 431 SER HB2 . 6787 1 675 . 1 1 61 61 SER HB3 H 1 3.85 0.02 . 2 . . . . 431 SER HB3 . 6787 1 676 . 1 1 61 61 SER C C 13 176.17 0.05 . 1 . . . . 431 SER C . 6787 1 677 . 1 1 61 61 SER CA C 13 57.21 0.3 . 1 . . . . 431 SER CA . 6787 1 678 . 1 1 61 61 SER CB C 13 61.15 0.3 . 1 . . . . 431 SER CB . 6787 1 679 . 1 1 61 61 SER N N 15 115.15 0.1 . 1 . . . . 431 SER N . 6787 1 680 . 1 1 62 62 LYS H H 1 8.58 0.02 . 1 . . . . 432 LYS H . 6787 1 681 . 1 1 62 62 LYS HA H 1 4.18 0.02 . 1 . . . . 432 LYS HA . 6787 1 682 . 1 1 62 62 LYS HB2 H 1 1.87 0.02 . 2 . . . . 432 LYS HB2 . 6787 1 683 . 1 1 62 62 LYS HB3 H 1 1.90 0.02 . 2 . . . . 432 LYS HB3 . 6787 1 684 . 1 1 62 62 LYS HG2 H 1 1.48 0.02 . 1 . . . . 432 LYS HG2 . 6787 1 685 . 1 1 62 62 LYS HG3 H 1 1.48 0.02 . 1 . . . . 432 LYS HG3 . 6787 1 686 . 1 1 62 62 LYS HD2 H 1 1.69 0.02 . 1 . . . . 432 LYS HD2 . 6787 1 687 . 1 1 62 62 LYS HD3 H 1 1.69 0.02 . 1 . . . . 432 LYS HD3 . 6787 1 688 . 1 1 62 62 LYS HE2 H 1 3.08 0.02 . 1 . . . . 432 LYS HE2 . 6787 1 689 . 1 1 62 62 LYS HE3 H 1 3.08 0.02 . 1 . . . . 432 LYS HE3 . 6787 1 690 . 1 1 62 62 LYS C C 13 177.94 0.05 . 1 . . . . 432 LYS C . 6787 1 691 . 1 1 62 62 LYS CA C 13 55.89 0.3 . 1 . . . . 432 LYS CA . 6787 1 692 . 1 1 62 62 LYS CB C 13 29.80 0.3 . 1 . . . . 432 LYS CB . 6787 1 693 . 1 1 62 62 LYS CG C 13 22.401 0.3 . 1 . . . . 432 LYS CG . 6787 1 694 . 1 1 62 62 LYS CD C 13 26.80 0.3 . 1 . . . . 432 LYS CD . 6787 1 695 . 1 1 62 62 LYS CE C 13 39.63 0.3 . 1 . . . . 432 LYS CE . 6787 1 696 . 1 1 62 62 LYS N N 15 123.06 0.1 . 1 . . . . 432 LYS N . 6787 1 697 . 1 1 63 63 SER H H 1 8.07 0.02 . 1 . . . . 433 SER H . 6787 1 698 . 1 1 63 63 SER HA H 1 4.45 0.02 . 1 . . . . 433 SER HA . 6787 1 699 . 1 1 63 63 SER HB2 H 1 3.93 0.02 . 2 . . . . 433 SER HB2 . 6787 1 700 . 1 1 63 63 SER HB3 H 1 3.95 0.02 . 2 . . . . 433 SER HB3 . 6787 1 701 . 1 1 63 63 SER C C 13 174.83 0.05 . 1 . . . . 433 SER C . 6787 1 702 . 1 1 63 63 SER CA C 13 56.55 0.3 . 1 . . . . 433 SER CA . 6787 1 703 . 1 1 63 63 SER CB C 13 60.93 0.3 . 1 . . . . 433 SER CB . 6787 1 704 . 1 1 63 63 SER N N 15 114.05 0.1 . 1 . . . . 433 SER N . 6787 1 705 . 1 1 64 64 ASN H H 1 8.16 0.02 . 1 . . . . 434 ASN H . 6787 1 706 . 1 1 64 64 ASN HA H 1 4.83 0.02 . 1 . . . . 434 ASN HA . 6787 1 707 . 1 1 64 64 ASN HB2 H 1 2.88 0.02 . 2 . . . . 434 ASN HB2 . 6787 1 708 . 1 1 64 64 ASN HB3 H 1 3.11 0.02 . 2 . . . . 434 ASN HB3 . 6787 1 709 . 1 1 64 64 ASN HD21 H 1 7.43 0.02 . 2 . . . . 434 ASN HD21 . 6787 1 710 . 1 1 64 64 ASN HD22 H 1 7.05 0.02 . 2 . . . . 434 ASN HD22 . 6787 1 711 . 1 1 64 64 ASN C C 13 175.68 0.05 . 1 . . . . 434 ASN C . 6787 1 712 . 1 1 64 64 ASN CA C 13 51.64 0.3 . 1 . . . . 434 ASN CA . 6787 1 713 . 1 1 64 64 ASN CB C 13 36.42 0.3 . 1 . . . . 434 ASN CB . 6787 1 714 . 1 1 64 64 ASN N N 15 119.00 0.1 . 1 . . . . 434 ASN N . 6787 1 715 . 1 1 64 64 ASN ND2 N 15 113.32 0.1 . 1 . . . . 434 ASN ND2 . 6787 1 716 . 1 1 65 65 LYS H H 1 8.15 0.02 . 1 . . . . 435 LYS H . 6787 1 717 . 1 1 65 65 LYS HA H 1 4.99 0.02 . 1 . . . . 435 LYS HA . 6787 1 718 . 1 1 65 65 LYS HB2 H 1 1.69 0.02 . 2 . . . . 435 LYS HB2 . 6787 1 719 . 1 1 65 65 LYS HB3 H 1 1.77 0.02 . 2 . . . . 435 LYS HB3 . 6787 1 720 . 1 1 65 65 LYS HG2 H 1 1.01 0.02 . 2 . . . . 435 LYS HG2 . 6787 1 721 . 1 1 65 65 LYS HG3 H 1 1.16 0.02 . 2 . . . . 435 LYS HG3 . 6787 1 722 . 1 1 65 65 LYS HD2 H 1 1.54 0.02 . 1 . . . . 435 LYS HD2 . 6787 1 723 . 1 1 65 65 LYS HD3 H 1 1.54 0.02 . 1 . . . . 435 LYS HD3 . 6787 1 724 . 1 1 65 65 LYS HE2 H 1 2.67 0.02 . 1 . . . . 435 LYS HE2 . 6787 1 725 . 1 1 65 65 LYS HE3 H 1 2.67 0.02 . 1 . . . . 435 LYS HE3 . 6787 1 726 . 1 1 65 65 LYS C C 13 175.40 0.05 . 1 . . . . 435 LYS C . 6787 1 727 . 1 1 65 65 LYS CA C 13 53.62 0.3 . 1 . . . . 435 LYS CA . 6787 1 728 . 1 1 65 65 LYS CB C 13 31.04 0.3 . 1 . . . . 435 LYS CB . 6787 1 729 . 1 1 65 65 LYS CG C 13 22.01 0.3 . 1 . . . . 435 LYS CG . 6787 1 730 . 1 1 65 65 LYS CD C 13 26.97 0.3 . 1 . . . . 435 LYS CD . 6787 1 731 . 1 1 65 65 LYS CE C 13 39.60 0.3 . 1 . . . . 435 LYS CE . 6787 1 732 . 1 1 65 65 LYS N N 15 123.71 0.1 . 1 . . . . 435 LYS N . 6787 1 733 . 1 1 66 66 LEU H H 1 8.34 0.02 . 1 . . . . 436 LEU H . 6787 1 734 . 1 1 66 66 LEU HA H 1 4.58 0.02 . 1 . . . . 436 LEU HA . 6787 1 735 . 1 1 66 66 LEU HB2 H 1 1.30 0.02 . 2 . . . . 436 LEU HB2 . 6787 1 736 . 1 1 66 66 LEU HB3 H 1 1.36 0.02 . 2 . . . . 436 LEU HB3 . 6787 1 737 . 1 1 66 66 LEU HG H 1 1.14 0.02 . 1 . . . . 436 LEU HG . 6787 1 738 . 1 1 66 66 LEU HD11 H 1 0.69 0.02 . 1 . . . . 436 LEU HD1 . 6787 1 739 . 1 1 66 66 LEU HD12 H 1 0.69 0.02 . 1 . . . . 436 LEU HD1 . 6787 1 740 . 1 1 66 66 LEU HD13 H 1 0.69 0.02 . 1 . . . . 436 LEU HD1 . 6787 1 741 . 1 1 66 66 LEU HD21 H 1 -0.07 0.02 . 1 . . . . 436 LEU HD2 . 6787 1 742 . 1 1 66 66 LEU HD22 H 1 -0.07 0.02 . 1 . . . . 436 LEU HD2 . 6787 1 743 . 1 1 66 66 LEU HD23 H 1 -0.07 0.02 . 1 . . . . 436 LEU HD2 . 6787 1 744 . 1 1 66 66 LEU C C 13 175.70 0.05 . 1 . . . . 436 LEU C . 6787 1 745 . 1 1 66 66 LEU CA C 13 51.15 0.3 . 1 . . . . 436 LEU CA . 6787 1 746 . 1 1 66 66 LEU CB C 13 43.64 0.3 . 1 . . . . 436 LEU CB . 6787 1 747 . 1 1 66 66 LEU CG C 13 24.47 0.3 . 1 . . . . 436 LEU CG . 6787 1 748 . 1 1 66 66 LEU CD1 C 13 20.10 0.3 . 1 . . . . 436 LEU CD1 . 6787 1 749 . 1 1 66 66 LEU CD2 C 13 22.17 0.3 . 1 . . . . 436 LEU CD2 . 6787 1 750 . 1 1 66 66 LEU N N 15 123.43 0.1 . 1 . . . . 436 LEU N . 6787 1 751 . 1 1 67 67 ARG H H 1 8.35 0.02 . 1 . . . . 437 ARG H . 6787 1 752 . 1 1 67 67 ARG HA H 1 5.50 0.02 . 1 . . . . 437 ARG HA . 6787 1 753 . 1 1 67 67 ARG HB2 H 1 1.80 0.02 . 2 . . . . 437 ARG HB2 . 6787 1 754 . 1 1 67 67 ARG HB3 H 1 1.96 0.02 . 2 . . . . 437 ARG HB3 . 6787 1 755 . 1 1 67 67 ARG HG2 H 1 1.32 0.02 . 2 . . . . 437 ARG HG2 . 6787 1 756 . 1 1 67 67 ARG HG3 H 1 1.79 0.02 . 2 . . . . 437 ARG HG3 . 6787 1 757 . 1 1 67 67 ARG HD2 H 1 2.72 0.02 . 2 . . . . 437 ARG HD2 . 6787 1 758 . 1 1 67 67 ARG HD3 H 1 3.01 0.02 . 2 . . . . 437 ARG HD3 . 6787 1 759 . 1 1 67 67 ARG C C 13 175.95 0.05 . 1 . . . . 437 ARG C . 6787 1 760 . 1 1 67 67 ARG CA C 13 52.34 0.3 . 1 . . . . 437 ARG CA . 6787 1 761 . 1 1 67 67 ARG CB C 13 30.74 0.3 . 1 . . . . 437 ARG CB . 6787 1 762 . 1 1 67 67 ARG CG C 13 21.51 0.3 . 1 . . . . 437 ARG CG . 6787 1 763 . 1 1 67 67 ARG CD C 13 40.92 0.3 . 1 . . . . 437 ARG CD . 6787 1 764 . 1 1 67 67 ARG N N 15 117.28 0.1 . 1 . . . . 437 ARG N . 6787 1 765 . 1 1 68 68 THR H H 1 8.57 0.02 . 1 . . . . 438 THR H . 6787 1 766 . 1 1 68 68 THR HA H 1 4.53 0.02 . 1 . . . . 438 THR HA . 6787 1 767 . 1 1 68 68 THR HB H 1 4.53 0.02 . 1 . . . . 438 THR HB . 6787 1 768 . 1 1 68 68 THR HG21 H 1 0.68 0.02 . 1 . . . . 438 THR HG2 . 6787 1 769 . 1 1 68 68 THR HG22 H 1 0.68 0.02 . 1 . . . . 438 THR HG2 . 6787 1 770 . 1 1 68 68 THR HG23 H 1 0.68 0.02 . 1 . . . . 438 THR HG2 . 6787 1 771 . 1 1 68 68 THR C C 13 175.84 0.05 . 1 . . . . 438 THR C . 6787 1 772 . 1 1 68 68 THR CA C 13 58.42 0.3 . 1 . . . . 438 THR CA . 6787 1 773 . 1 1 68 68 THR CB C 13 70.41 0.3 . 1 . . . . 438 THR CB . 6787 1 774 . 1 1 68 68 THR CG2 C 13 16.98 0.3 . 1 . . . . 438 THR CG2 . 6787 1 775 . 1 1 68 68 THR N N 15 110.43 0.1 . 1 . . . . 438 THR N . 6787 1 776 . 1 1 69 69 LYS H H 1 9.94 0.02 . 1 . . . . 439 LYS H . 6787 1 777 . 1 1 69 69 LYS HA H 1 4.34 0.02 . 1 . . . . 439 LYS HA . 6787 1 778 . 1 1 69 69 LYS HB2 H 1 1.74 0.02 . 2 . . . . 439 LYS HB2 . 6787 1 779 . 1 1 69 69 LYS HB3 H 1 1.95 0.02 . 2 . . . . 439 LYS HB3 . 6787 1 780 . 1 1 69 69 LYS HG2 H 1 1.59 0.02 . 2 . . . . 439 LYS HG2 . 6787 1 781 . 1 1 69 69 LYS HG3 H 1 1.71 0.02 . 2 . . . . 439 LYS HG3 . 6787 1 782 . 1 1 69 69 LYS HD2 H 1 1.44 0.02 . 2 . . . . 439 LYS HD2 . 6787 1 783 . 1 1 69 69 LYS HD3 H 1 1.59 0.02 . 2 . . . . 439 LYS HD3 . 6787 1 784 . 1 1 69 69 LYS HE2 H 1 3.02 0.02 . 1 . . . . 439 LYS HE2 . 6787 1 785 . 1 1 69 69 LYS HE3 H 1 3.02 0.02 . 1 . . . . 439 LYS HE3 . 6787 1 786 . 1 1 69 69 LYS C C 13 177.61 0.05 . 1 . . . . 439 LYS C . 6787 1 787 . 1 1 69 69 LYS CA C 13 54.59 0.3 . 1 . . . . 439 LYS CA . 6787 1 788 . 1 1 69 69 LYS CB C 13 30.39 0.3 . 1 . . . . 439 LYS CB . 6787 1 789 . 1 1 69 69 LYS CG C 13 22.45 0.3 . 1 . . . . 439 LYS CG . 6787 1 790 . 1 1 69 69 LYS CD C 13 26.27 0.3 . 1 . . . . 439 LYS CD . 6787 1 791 . 1 1 69 69 LYS CE C 13 39.64 0.3 . 1 . . . . 439 LYS CE . 6787 1 792 . 1 1 69 69 LYS N N 15 121.21 0.1 . 1 . . . . 439 LYS N . 6787 1 793 . 1 1 70 70 THR H H 1 8.86 0.02 . 1 . . . . 440 THR H . 6787 1 794 . 1 1 70 70 THR HA H 1 4.21 0.02 . 1 . . . . 440 THR HA . 6787 1 795 . 1 1 70 70 THR HB H 1 3.84 0.02 . 1 . . . . 440 THR HB . 6787 1 796 . 1 1 70 70 THR HG21 H 1 0.93 0.02 . 1 . . . . 440 THR HG2 . 6787 1 797 . 1 1 70 70 THR HG22 H 1 0.93 0.02 . 1 . . . . 440 THR HG2 . 6787 1 798 . 1 1 70 70 THR HG23 H 1 0.93 0.02 . 1 . . . . 440 THR HG2 . 6787 1 799 . 1 1 70 70 THR C C 13 175.10 0.05 . 1 . . . . 440 THR C . 6787 1 800 . 1 1 70 70 THR CA C 13 59.87 0.3 . 1 . . . . 440 THR CA . 6787 1 801 . 1 1 70 70 THR CB C 13 67.75 0.3 . 1 . . . . 440 THR CB . 6787 1 802 . 1 1 70 70 THR CG2 C 13 22.011 0.3 . 1 . . . . 440 THR CG2 . 6787 1 803 . 1 1 70 70 THR N N 15 121.16 0.1 . 1 . . . . 440 THR N . 6787 1 804 . 1 1 71 71 LEU H H 1 8.51 0.02 . 1 . . . . 441 LEU H . 6787 1 805 . 1 1 71 71 LEU HA H 1 4.63 0.02 . 1 . . . . 441 LEU HA . 6787 1 806 . 1 1 71 71 LEU HB2 H 1 1.26 0.02 . 2 . . . . 441 LEU HB2 . 6787 1 807 . 1 1 71 71 LEU HB3 H 1 1.36 0.02 . 2 . . . . 441 LEU HB3 . 6787 1 808 . 1 1 71 71 LEU HG H 1 1.12 0.02 . 1 . . . . 441 LEU HG . 6787 1 809 . 1 1 71 71 LEU HD11 H 1 0.77 0.02 . 2 . . . . 441 LEU HD1 . 6787 1 810 . 1 1 71 71 LEU HD12 H 1 0.77 0.02 . 2 . . . . 441 LEU HD1 . 6787 1 811 . 1 1 71 71 LEU HD13 H 1 0.77 0.02 . 2 . . . . 441 LEU HD1 . 6787 1 812 . 1 1 71 71 LEU HD21 H 1 0.11 0.02 . 2 . . . . 441 LEU HD2 . 6787 1 813 . 1 1 71 71 LEU HD22 H 1 0.11 0.02 . 2 . . . . 441 LEU HD2 . 6787 1 814 . 1 1 71 71 LEU HD23 H 1 0.11 0.02 . 2 . . . . 441 LEU HD2 . 6787 1 815 . 1 1 71 71 LEU C C 13 174.95 0.05 . 1 . . . . 441 LEU C . 6787 1 816 . 1 1 71 71 LEU CA C 13 50.45 0.3 . 1 . . . . 441 LEU CA . 6787 1 817 . 1 1 71 71 LEU CB C 13 40.48 0.3 . 1 . . . . 441 LEU CB . 6787 1 818 . 1 1 71 71 LEU CG C 13 22.338 0.3 . 1 . . . . 441 LEU CG . 6787 1 819 . 1 1 71 71 LEU CD1 C 13 20.63 0.3 . 1 . . . . 441 LEU CD1 . 6787 1 820 . 1 1 71 71 LEU CD2 C 13 22.455 0.3 . 1 . . . . 441 LEU CD2 . 6787 1 821 . 1 1 71 71 LEU N N 15 130.82 0.1 . 1 . . . . 441 LEU N . 6787 1 822 . 1 1 72 72 ARG H H 1 7.93 0.02 . 1 . . . . 442 ARG H . 6787 1 823 . 1 1 72 72 ARG HA H 1 4.91 0.02 . 1 . . . . 442 ARG HA . 6787 1 824 . 1 1 72 72 ARG HB2 H 1 1.62 0.02 . 2 . . . . 442 ARG HB2 . 6787 1 825 . 1 1 72 72 ARG HB3 H 1 1.64 0.02 . 2 . . . . 442 ARG HB3 . 6787 1 826 . 1 1 72 72 ARG HG2 H 1 1.64 0.02 . 2 . . . . 442 ARG HG2 . 6787 1 827 . 1 1 72 72 ARG HG3 H 1 1.38 0.02 . 2 . . . . 442 ARG HG3 . 6787 1 828 . 1 1 72 72 ARG HD2 H 1 3.03 0.02 . 1 . . . . 442 ARG HD2 . 6787 1 829 . 1 1 72 72 ARG HD3 H 1 3.04 0.02 . 1 . . . . 442 ARG HD3 . 6787 1 830 . 1 1 72 72 ARG C C 13 177.57 0.05 . 1 . . . . 442 ARG C . 6787 1 831 . 1 1 72 72 ARG CA C 13 52.24 0.3 . 1 . . . . 442 ARG CA . 6787 1 832 . 1 1 72 72 ARG CB C 13 28.90 0.3 . 1 . . . . 442 ARG CB . 6787 1 833 . 1 1 72 72 ARG CG C 13 25.19 0.3 . 1 . . . . 442 ARG CG . 6787 1 834 . 1 1 72 72 ARG CD C 13 40.14 0.3 . 1 . . . . 442 ARG CD . 6787 1 835 . 1 1 72 72 ARG N N 15 116.15 0.1 . 1 . . . . 442 ARG N . 6787 1 836 . 1 1 73 73 ASN H H 1 9.27 0.02 . 1 . . . . 443 ASN H . 6787 1 837 . 1 1 73 73 ASN HA H 1 4.17 0.02 . 1 . . . . 443 ASN HA . 6787 1 838 . 1 1 73 73 ASN HB2 H 1 2.65 0.02 . 2 . . . . 443 ASN HB2 . 6787 1 839 . 1 1 73 73 ASN HB3 H 1 3.04 0.02 . 2 . . . . 443 ASN HB3 . 6787 1 840 . 1 1 73 73 ASN HD21 H 1 6.86 0.02 . 2 . . . . 443 ASN HD21 . 6787 1 841 . 1 1 73 73 ASN HD22 H 1 6.51 0.02 . 2 . . . . 443 ASN HD22 . 6787 1 842 . 1 1 73 73 ASN C C 13 175.70 0.05 . 1 . . . . 443 ASN C . 6787 1 843 . 1 1 73 73 ASN CA C 13 51.36 0.3 . 1 . . . . 443 ASN CA . 6787 1 844 . 1 1 73 73 ASN CB C 13 34.48 0.3 . 1 . . . . 443 ASN CB . 6787 1 845 . 1 1 73 73 ASN N N 15 118.93 0.1 . 1 . . . . 443 ASN N . 6787 1 846 . 1 1 73 73 ASN ND2 N 15 113.08 0.1 . 1 . . . . 443 ASN ND2 . 6787 1 847 . 1 1 74 74 THR H H 1 8.89 0.02 . 1 . . . . 444 THR H . 6787 1 848 . 1 1 74 74 THR HA H 1 4.46 0.02 . 1 . . . . 444 THR HA . 6787 1 849 . 1 1 74 74 THR HB H 1 4.09 0.02 . 1 . . . . 444 THR HB . 6787 1 850 . 1 1 74 74 THR HG21 H 1 0.94 0.02 . 1 . . . . 444 THR HG2 . 6787 1 851 . 1 1 74 74 THR HG22 H 1 0.94 0.02 . 1 . . . . 444 THR HG2 . 6787 1 852 . 1 1 74 74 THR HG23 H 1 0.94 0.02 . 1 . . . . 444 THR HG2 . 6787 1 853 . 1 1 74 74 THR C C 13 180.98 0.05 . 1 . . . . 444 THR C . 6787 1 854 . 1 1 74 74 THR CA C 13 58.21 0.3 . 1 . . . . 444 THR CA . 6787 1 855 . 1 1 74 74 THR CB C 13 66.27 0.3 . 1 . . . . 444 THR CB . 6787 1 856 . 1 1 74 74 THR CG2 C 13 21.35 0.3 . 1 . . . . 444 THR CG2 . 6787 1 857 . 1 1 74 74 THR N N 15 112.23 0.1 . 1 . . . . 444 THR N . 6787 1 858 . 1 1 75 75 ARG H H 1 8.69 0.02 . 1 . . . . 445 ARG H . 6787 1 859 . 1 1 75 75 ARG HA H 1 4.22 0.02 . 1 . . . . 445 ARG HA . 6787 1 860 . 1 1 75 75 ARG HB2 H 1 1.39 0.02 . 2 . . . . 445 ARG HB2 . 6787 1 861 . 1 1 75 75 ARG HB3 H 1 2.24 0.02 . 2 . . . . 445 ARG HB3 . 6787 1 862 . 1 1 75 75 ARG HG2 H 1 1.13 0.02 . 2 . . . . 445 ARG HG2 . 6787 1 863 . 1 1 75 75 ARG HG3 H 1 1.53 0.02 . 2 . . . . 445 ARG HG3 . 6787 1 864 . 1 1 75 75 ARG C C 13 174.69 0.05 . 1 . . . . 445 ARG C . 6787 1 865 . 1 1 75 75 ARG CA C 13 52.20 0.3 . 1 . . . . 445 ARG CA . 6787 1 866 . 1 1 75 75 ARG CB C 13 28.99 0.3 . 1 . . . . 445 ARG CB . 6787 1 867 . 1 1 75 75 ARG CG C 13 24.96 0.3 . 1 . . . . 445 ARG CG . 6787 1 868 . 1 1 75 75 ARG N N 15 122.19 0.1 . 1 . . . . 445 ARG N . 6787 1 869 . 1 1 76 76 ASN H H 1 8.60 0.02 . 1 . . . . 446 ASN H . 6787 1 870 . 1 1 76 76 ASN HA H 1 5.43 0.02 . 1 . . . . 446 ASN HA . 6787 1 871 . 1 1 76 76 ASN HB2 H 1 2.37 0.02 . 2 . . . . 446 ASN HB2 . 6787 1 872 . 1 1 76 76 ASN HB3 H 1 2.69 0.02 . 2 . . . . 446 ASN HB3 . 6787 1 873 . 1 1 76 76 ASN HD21 H 1 7.56 0.02 . 2 . . . . 446 ASN HD21 . 6787 1 874 . 1 1 76 76 ASN HD22 H 1 7.13 0.02 . 2 . . . . 446 ASN HD22 . 6787 1 875 . 1 1 76 76 ASN C C 13 175.31 0.05 . 1 . . . . 446 ASN C . 6787 1 876 . 1 1 76 76 ASN CA C 13 48.98 0.3 . 1 . . . . 446 ASN CA . 6787 1 877 . 1 1 76 76 ASN CB C 13 38.69 0.3 . 1 . . . . 446 ASN CB . 6787 1 878 . 1 1 76 76 ASN N N 15 117.74 0.1 . 1 . . . . 446 ASN N . 6787 1 879 . 1 1 76 76 ASN ND2 N 15 118.31 0.1 . 1 . . . . 446 ASN ND2 . 6787 1 880 . 1 1 77 77 PRO HA H 1 3.73 0.02 . 1 . . . . 447 PRO HA . 6787 1 881 . 1 1 77 77 PRO C C 13 174.98 0.05 . 1 . . . . 447 PRO C . 6787 1 882 . 1 1 77 77 PRO CA C 13 59.95 0.3 . 1 . . . . 447 PRO CA . 6787 1 883 . 1 1 77 77 PRO CB C 13 30.54 0.3 . 1 . . . . 447 PRO CB . 6787 1 884 . 1 1 77 77 PRO CG C 13 27.25 0.3 . 1 . . . . 447 PRO CG . 6787 1 885 . 1 1 77 77 PRO CD C 13 47.86 0.3 . 1 . . . . 447 PRO CD . 6787 1 886 . 1 1 78 78 VAL H H 1 7.38 0.02 . 1 . . . . 448 VAL H . 6787 1 887 . 1 1 78 78 VAL HA H 1 4.11 0.02 . 1 . . . . 448 VAL HA . 6787 1 888 . 1 1 78 78 VAL HB H 1 1.91 0.02 . 1 . . . . 448 VAL HB . 6787 1 889 . 1 1 78 78 VAL HG11 H 1 0.82 0.02 . 1 . . . . 448 VAL HG1 . 6787 1 890 . 1 1 78 78 VAL HG12 H 1 0.82 0.02 . 1 . . . . 448 VAL HG1 . 6787 1 891 . 1 1 78 78 VAL HG13 H 1 0.82 0.02 . 1 . . . . 448 VAL HG1 . 6787 1 892 . 1 1 78 78 VAL HG21 H 1 0.81 0.02 . 1 . . . . 448 VAL HG2 . 6787 1 893 . 1 1 78 78 VAL HG22 H 1 0.81 0.02 . 1 . . . . 448 VAL HG2 . 6787 1 894 . 1 1 78 78 VAL HG23 H 1 0.81 0.02 . 1 . . . . 448 VAL HG2 . 6787 1 895 . 1 1 78 78 VAL C C 13 175.26 0.05 . 1 . . . . 448 VAL C . 6787 1 896 . 1 1 78 78 VAL CA C 13 59.29 0.3 . 1 . . . . 448 VAL CA . 6787 1 897 . 1 1 78 78 VAL CB C 13 30.12 0.3 . 1 . . . . 448 VAL CB . 6787 1 898 . 1 1 78 78 VAL CG1 C 13 17.78 0.3 . 1 . . . . 448 VAL CG1 . 6787 1 899 . 1 1 78 78 VAL CG2 C 13 18.25 0.3 . 1 . . . . 448 VAL CG2 . 6787 1 900 . 1 1 78 78 VAL N N 15 119.46 0.1 . 1 . . . . 448 VAL N . 6787 1 901 . 1 1 79 79 TRP H H 1 8.01 0.02 . 1 . . . . 449 TRP H . 6787 1 902 . 1 1 79 79 TRP HA H 1 4.52 0.02 . 1 . . . . 449 TRP HA . 6787 1 903 . 1 1 79 79 TRP HB2 H 1 3.08 0.02 . 2 . . . . 449 TRP HB2 . 6787 1 904 . 1 1 79 79 TRP HB3 H 1 3.27 0.02 . 2 . . . . 449 TRP HB3 . 6787 1 905 . 1 1 79 79 TRP HD1 H 1 7.08 0.02 . 1 . . . . 449 TRP HD1 . 6787 1 906 . 1 1 79 79 TRP HE1 H 1 9.54 0.02 . 1 . . . . 449 TRP HE1 . 6787 1 907 . 1 1 79 79 TRP HE3 H 1 7.40 0.02 . 1 . . . . 449 TRP HE3 . 6787 1 908 . 1 1 79 79 TRP C C 13 176.63 0.05 . 1 . . . . 449 TRP C . 6787 1 909 . 1 1 79 79 TRP CA C 13 59.67 0.3 . 1 . . . . 449 TRP CA . 6787 1 910 . 1 1 79 79 TRP CB C 13 27.10 0.3 . 1 . . . . 449 TRP CB . 6787 1 911 . 1 1 79 79 TRP N N 15 124.34 0.1 . 1 . . . . 449 TRP N . 6787 1 912 . 1 1 79 79 TRP NE1 N 15 129.14 0.1 . 1 . . . . 449 TRP NE1 . 6787 1 913 . 1 1 80 80 ASN H H 1 8.94 0.02 . 1 . . . . 450 ASN H . 6787 1 914 . 1 1 80 80 ASN HA H 1 4.36 0.02 . 1 . . . . 450 ASN HA . 6787 1 915 . 1 1 80 80 ASN HB2 H 1 2.66 0.02 . 2 . . . . 450 ASN HB2 . 6787 1 916 . 1 1 80 80 ASN HB3 H 1 3.00 0.02 . 2 . . . . 450 ASN HB3 . 6787 1 917 . 1 1 80 80 ASN HD21 H 1 7.34 0.02 . 2 . . . . 450 ASN HD21 . 6787 1 918 . 1 1 80 80 ASN HD22 H 1 6.58 0.02 . 2 . . . . 450 ASN HD22 . 6787 1 919 . 1 1 80 80 ASN C C 13 174.42 0.05 . 1 . . . . 450 ASN C . 6787 1 920 . 1 1 80 80 ASN CA C 13 51.86 0.3 . 1 . . . . 450 ASN CA . 6787 1 921 . 1 1 80 80 ASN CB C 13 35.58 0.3 . 1 . . . . 450 ASN CB . 6787 1 922 . 1 1 80 80 ASN N N 15 117.83 0.1 . 1 . . . . 450 ASN N . 6787 1 923 . 1 1 80 80 ASN ND2 N 15 112.74 0.1 . 1 . . . . 450 ASN ND2 . 6787 1 924 . 1 1 81 81 GLU H H 1 8.19 0.02 . 1 . . . . 451 GLU H . 6787 1 925 . 1 1 81 81 GLU HA H 1 4.75 0.02 . 1 . . . . 451 GLU HA . 6787 1 926 . 1 1 81 81 GLU HB2 H 1 1.74 0.02 . 2 . . . . 451 GLU HB2 . 6787 1 927 . 1 1 81 81 GLU HB3 H 1 1.87 0.02 . 2 . . . . 451 GLU HB3 . 6787 1 928 . 1 1 81 81 GLU HG2 H 1 2.06 0.02 . 2 . . . . 451 GLU HG2 . 6787 1 929 . 1 1 81 81 GLU HG3 H 1 2.36 0.02 . 2 . . . . 451 GLU HG3 . 6787 1 930 . 1 1 81 81 GLU C C 13 175.26 0.05 . 1 . . . . 451 GLU C . 6787 1 931 . 1 1 81 81 GLU CA C 13 53.31 0.3 . 1 . . . . 451 GLU CA . 6787 1 932 . 1 1 81 81 GLU CB C 13 32.01 0.3 . 1 . . . . 451 GLU CB . 6787 1 933 . 1 1 81 81 GLU CG C 13 34.39 0.3 . 1 . . . . 451 GLU CG . 6787 1 934 . 1 1 81 81 GLU N N 15 118.37 0.1 . 1 . . . . 451 GLU N . 6787 1 935 . 1 1 82 82 THR H H 1 9.07 0.02 . 1 . . . . 452 THR H . 6787 1 936 . 1 1 82 82 THR HA H 1 3.89 0.02 . 1 . . . . 452 THR HA . 6787 1 937 . 1 1 82 82 THR HB H 1 3.90 0.02 . 1 . . . . 452 THR HB . 6787 1 938 . 1 1 82 82 THR HG21 H 1 0.93 0.02 . 1 . . . . 452 THR HG2 . 6787 1 939 . 1 1 82 82 THR HG22 H 1 0.93 0.02 . 1 . . . . 452 THR HG2 . 6787 1 940 . 1 1 82 82 THR HG23 H 1 0.93 0.02 . 1 . . . . 452 THR HG2 . 6787 1 941 . 1 1 82 82 THR C C 13 173.27 0.05 . 1 . . . . 452 THR C . 6787 1 942 . 1 1 82 82 THR CA C 13 61.52 0.3 . 1 . . . . 452 THR CA . 6787 1 943 . 1 1 82 82 THR CB C 13 66.76 0.3 . 1 . . . . 452 THR CB . 6787 1 944 . 1 1 82 82 THR CG2 C 13 18.789 0.3 . 1 . . . . 452 THR CG2 . 6787 1 945 . 1 1 82 82 THR N N 15 122.54 0.1 . 1 . . . . 452 THR N . 6787 1 946 . 1 1 83 83 LEU H H 1 9.07 0.02 . 1 . . . . 453 LEU H . 6787 1 947 . 1 1 83 83 LEU HA H 1 4.63 0.02 . 1 . . . . 453 LEU HA . 6787 1 948 . 1 1 83 83 LEU HB2 H 1 1.28 0.02 . 2 . . . . 453 LEU HB2 . 6787 1 949 . 1 1 83 83 LEU HB3 H 1 1.43 0.02 . 2 . . . . 453 LEU HB3 . 6787 1 950 . 1 1 83 83 LEU HG H 1 1.42 0.02 . 1 . . . . 453 LEU HG . 6787 1 951 . 1 1 83 83 LEU HD11 H 1 0.69 0.02 . 2 . . . . 453 LEU HD1 . 6787 1 952 . 1 1 83 83 LEU HD12 H 1 0.69 0.02 . 2 . . . . 453 LEU HD1 . 6787 1 953 . 1 1 83 83 LEU HD13 H 1 0.69 0.02 . 2 . . . . 453 LEU HD1 . 6787 1 954 . 1 1 83 83 LEU HD21 H 1 0.52 0.02 . 2 . . . . 453 LEU HD2 . 6787 1 955 . 1 1 83 83 LEU HD22 H 1 0.52 0.02 . 2 . . . . 453 LEU HD2 . 6787 1 956 . 1 1 83 83 LEU HD23 H 1 0.52 0.02 . 2 . . . . 453 LEU HD2 . 6787 1 957 . 1 1 83 83 LEU C C 13 175.36 0.05 . 1 . . . . 453 LEU C . 6787 1 958 . 1 1 83 83 LEU CA C 13 50.59 0.3 . 1 . . . . 453 LEU CA . 6787 1 959 . 1 1 83 83 LEU CB C 13 41.00 0.3 . 1 . . . . 453 LEU CB . 6787 1 960 . 1 1 83 83 LEU CG C 13 24.90 0.3 . 1 . . . . 453 LEU CG . 6787 1 961 . 1 1 83 83 LEU CD1 C 13 20.99 0.3 . 1 . . . . 453 LEU CD1 . 6787 1 962 . 1 1 83 83 LEU CD2 C 13 22.66 0.3 . 1 . . . . 453 LEU CD2 . 6787 1 963 . 1 1 83 83 LEU N N 15 131.25 0.1 . 1 . . . . 453 LEU N . 6787 1 964 . 1 1 84 84 GLN H H 1 8.42 0.02 . 1 . . . . 454 GLN H . 6787 1 965 . 1 1 84 84 GLN HA H 1 5.19 0.02 . 1 . . . . 454 GLN HA . 6787 1 966 . 1 1 84 84 GLN HB2 H 1 1.81 0.02 . 2 . . . . 454 GLN HB2 . 6787 1 967 . 1 1 84 84 GLN HB3 H 1 1.98 0.02 . 2 . . . . 454 GLN HB3 . 6787 1 968 . 1 1 84 84 GLN HG2 H 1 1.63 0.02 . 1 . . . . 454 GLN HG2 . 6787 1 969 . 1 1 84 84 GLN HG3 H 1 1.63 0.02 . 1 . . . . 454 GLN HG3 . 6787 1 970 . 1 1 84 84 GLN HE21 H 1 6.72 0.02 . 2 . . . . 454 GLN HE21 . 6787 1 971 . 1 1 84 84 GLN HE22 H 1 7.32 0.02 . 2 . . . . 454 GLN HE22 . 6787 1 972 . 1 1 84 84 GLN C C 13 174.11 0.05 . 1 . . . . 454 GLN C . 6787 1 973 . 1 1 84 84 GLN CA C 13 51.95 0.3 . 1 . . . . 454 GLN CA . 6787 1 974 . 1 1 84 84 GLN CB C 13 31.53 0.3 . 1 . . . . 454 GLN CB . 6787 1 975 . 1 1 84 84 GLN CG C 13 30.20 0.3 . 1 . . . . 454 GLN CG . 6787 1 976 . 1 1 84 84 GLN N N 15 119.59 0.1 . 1 . . . . 454 GLN N . 6787 1 977 . 1 1 84 84 GLN NE2 N 15 110.50 0.1 . 1 . . . . 454 GLN NE2 . 6787 1 978 . 1 1 85 85 TYR H H 1 8.79 0.02 . 1 . . . . 455 TYR H . 6787 1 979 . 1 1 85 85 TYR HA H 1 4.53 0.02 . 1 . . . . 455 TYR HA . 6787 1 980 . 1 1 85 85 TYR HB2 H 1 2.63 0.02 . 2 . . . . 455 TYR HB2 . 6787 1 981 . 1 1 85 85 TYR HB3 H 1 3.04 0.02 . 2 . . . . 455 TYR HB3 . 6787 1 982 . 1 1 85 85 TYR HD1 H 1 6.92 0.02 . 1 . . . . 455 TYR HD1 . 6787 1 983 . 1 1 85 85 TYR HD2 H 1 6.96 0.02 . 1 . . . . 455 TYR HD2 . 6787 1 984 . 1 1 85 85 TYR HE1 H 1 6.47 0.02 . 1 . . . . 455 TYR HE1 . 6787 1 985 . 1 1 85 85 TYR HE2 H 1 6.43 0.02 . 1 . . . . 455 TYR HE2 . 6787 1 986 . 1 1 85 85 TYR C C 13 175.68 0.05 . 1 . . . . 455 TYR C . 6787 1 987 . 1 1 85 85 TYR CA C 13 55.10 0.3 . 1 . . . . 455 TYR CA . 6787 1 988 . 1 1 85 85 TYR CB C 13 38.27 0.3 . 1 . . . . 455 TYR CB . 6787 1 989 . 1 1 85 85 TYR N N 15 121.15 0.1 . 1 . . . . 455 TYR N . 6787 1 990 . 1 1 86 86 HIS H H 1 8.92 0.02 . 1 . . . . 456 HIS H . 6787 1 991 . 1 1 86 86 HIS HA H 1 5.41 0.02 . 1 . . . . 456 HIS HA . 6787 1 992 . 1 1 86 86 HIS HB2 H 1 3.10 0.02 . 2 . . . . 456 HIS HB2 . 6787 1 993 . 1 1 86 86 HIS HB3 H 1 3.32 0.02 . 2 . . . . 456 HIS HB3 . 6787 1 994 . 1 1 86 86 HIS HD1 H 1 7.28 0.02 . 1 . . . . 456 HIS HD1 . 6787 1 995 . 1 1 86 86 HIS HD2 H 1 7.28 0.02 . 1 . . . . 456 HIS HD2 . 6787 1 996 . 1 1 86 86 HIS HE1 H 1 7.63 0.02 . 1 . . . . 456 HIS HE1 . 6787 1 997 . 1 1 86 86 HIS C C 13 174.66 0.05 . 1 . . . . 456 HIS C . 6787 1 998 . 1 1 86 86 HIS CA C 13 51.35 0.3 . 1 . . . . 456 HIS CA . 6787 1 999 . 1 1 86 86 HIS CB C 13 27.97 0.3 . 1 . . . . 456 HIS CB . 6787 1 1000 . 1 1 86 86 HIS N N 15 120.76 0.1 . 1 . . . . 456 HIS N . 6787 1 1001 . 1 1 87 87 GLY H H 1 8.90 0.02 . 1 . . . . 457 GLY H . 6787 1 1002 . 1 1 87 87 GLY HA2 H 1 3.79 0.02 . 2 . . . . 457 GLY HA2 . 6787 1 1003 . 1 1 87 87 GLY HA3 H 1 4.01 0.02 . 2 . . . . 457 GLY HA3 . 6787 1 1004 . 1 1 87 87 GLY C C 13 174.49 0.05 . 1 . . . . 457 GLY C . 6787 1 1005 . 1 1 87 87 GLY CA C 13 43.98 0.3 . 1 . . . . 457 GLY CA . 6787 1 1006 . 1 1 87 87 GLY N N 15 112.09 0.1 . 1 . . . . 457 GLY N . 6787 1 1007 . 1 1 88 88 ILE H H 1 7.88 0.02 . 1 . . . . 458 ILE H . 6787 1 1008 . 1 1 88 88 ILE HA H 1 4.40 0.02 . 1 . . . . 458 ILE HA . 6787 1 1009 . 1 1 88 88 ILE HB H 1 1.71 0.02 . 1 . . . . 458 ILE HB . 6787 1 1010 . 1 1 88 88 ILE HG12 H 1 1.15 0.02 . 1 . . . . 458 ILE HG12 . 6787 1 1011 . 1 1 88 88 ILE HG13 H 1 1.18 0.02 . 1 . . . . 458 ILE HG13 . 6787 1 1012 . 1 1 88 88 ILE HG21 H 1 0.66 0.02 . 1 . . . . 458 ILE HG2 . 6787 1 1013 . 1 1 88 88 ILE HG22 H 1 0.66 0.02 . 1 . . . . 458 ILE HG2 . 6787 1 1014 . 1 1 88 88 ILE HG23 H 1 0.66 0.02 . 1 . . . . 458 ILE HG2 . 6787 1 1015 . 1 1 88 88 ILE HD11 H 1 0.44 0.02 . 1 . . . . 458 ILE HD1 . 6787 1 1016 . 1 1 88 88 ILE HD12 H 1 0.44 0.02 . 1 . . . . 458 ILE HD1 . 6787 1 1017 . 1 1 88 88 ILE HD13 H 1 0.44 0.02 . 1 . . . . 458 ILE HD1 . 6787 1 1018 . 1 1 88 88 ILE C C 13 176.23 0.05 . 1 . . . . 458 ILE C . 6787 1 1019 . 1 1 88 88 ILE CA C 13 55.42 0.3 . 1 . . . . 458 ILE CA . 6787 1 1020 . 1 1 88 88 ILE CB C 13 34.78 0.3 . 1 . . . . 458 ILE CB . 6787 1 1021 . 1 1 88 88 ILE CG1 C 13 24.77 0.3 . 1 . . . . 458 ILE CG1 . 6787 1 1022 . 1 1 88 88 ILE CG2 C 13 14.34 0.3 . 1 . . . . 458 ILE CG2 . 6787 1 1023 . 1 1 88 88 ILE CD1 C 13 7.29 0.3 . 1 . . . . 458 ILE CD1 . 6787 1 1024 . 1 1 88 88 ILE N N 15 121.07 0.1 . 1 . . . . 458 ILE N . 6787 1 1025 . 1 1 89 89 THR H H 1 9.01 0.02 . 1 . . . . 459 THR H . 6787 1 1026 . 1 1 89 89 THR HA H 1 4.72 0.02 . 1 . . . . 459 THR HA . 6787 1 1027 . 1 1 89 89 THR HB H 1 4.60 0.02 . 1 . . . . 459 THR HB . 6787 1 1028 . 1 1 89 89 THR C C 13 175.67 0.05 . 1 . . . . 459 THR C . 6787 1 1029 . 1 1 89 89 THR CA C 13 58.46 0.3 . 1 . . . . 459 THR CA . 6787 1 1030 . 1 1 89 89 THR CB C 13 70.03 0.3 . 1 . . . . 459 THR CB . 6787 1 1031 . 1 1 89 89 THR N N 15 120.56 0.1 . 1 . . . . 459 THR N . 6787 1 1032 . 1 1 90 90 GLU H H 1 9.02 0.02 . 1 . . . . 460 GLU H . 6787 1 1033 . 1 1 90 90 GLU HA H 1 3.88 0.02 . 1 . . . . 460 GLU HA . 6787 1 1034 . 1 1 90 90 GLU HB2 H 1 2.00 0.02 . 2 . . . . 460 GLU HB2 . 6787 1 1035 . 1 1 90 90 GLU HB3 H 1 2.07 0.02 . 2 . . . . 460 GLU HB3 . 6787 1 1036 . 1 1 90 90 GLU HG2 H 1 2.38 0.02 . 1 . . . . 460 GLU HG2 . 6787 1 1037 . 1 1 90 90 GLU HG3 H 1 2.38 0.02 . 1 . . . . 460 GLU HG3 . 6787 1 1038 . 1 1 90 90 GLU C C 13 179.34 0.05 . 1 . . . . 460 GLU C . 6787 1 1039 . 1 1 90 90 GLU CA C 13 57.00 0.3 . 1 . . . . 460 GLU CA . 6787 1 1040 . 1 1 90 90 GLU CB C 13 26.31 0.3 . 1 . . . . 460 GLU CB . 6787 1 1041 . 1 1 90 90 GLU CG C 13 33.08 0.3 . 1 . . . . 460 GLU CG . 6787 1 1042 . 1 1 90 90 GLU N N 15 120.49 0.1 . 1 . . . . 460 GLU N . 6787 1 1043 . 1 1 91 91 GLU H H 1 8.10 0.02 . 1 . . . . 461 GLU H . 6787 1 1044 . 1 1 91 91 GLU HA H 1 3.90 0.02 . 1 . . . . 461 GLU HA . 6787 1 1045 . 1 1 91 91 GLU HB2 H 1 1.79 0.02 . 2 . . . . 461 GLU HB2 . 6787 1 1046 . 1 1 91 91 GLU HB3 H 1 1.92 0.02 . 2 . . . . 461 GLU HB3 . 6787 1 1047 . 1 1 91 91 GLU HG2 H 1 2.20 0.02 . 2 . . . . 461 GLU HG2 . 6787 1 1048 . 1 1 91 91 GLU HG3 H 1 2.22 0.02 . 2 . . . . 461 GLU HG3 . 6787 1 1049 . 1 1 91 91 GLU C C 13 179.22 0.05 . 1 . . . . 461 GLU C . 6787 1 1050 . 1 1 91 91 GLU CA C 13 56.97 0.3 . 1 . . . . 461 GLU CA . 6787 1 1051 . 1 1 91 91 GLU CB C 13 26.65 0.3 . 1 . . . . 461 GLU CB . 6787 1 1052 . 1 1 91 91 GLU CG C 13 33.83 0.3 . 1 . . . . 461 GLU CG . 6787 1 1053 . 1 1 91 91 GLU N N 15 118.67 0.1 . 1 . . . . 461 GLU N . 6787 1 1054 . 1 1 92 92 ASP H H 1 7.59 0.02 . 1 . . . . 462 ASP H . 6787 1 1055 . 1 1 92 92 ASP HA H 1 4.13 0.02 . 1 . . . . 462 ASP HA . 6787 1 1056 . 1 1 92 92 ASP HB2 H 1 2.03 0.02 . 2 . . . . 462 ASP HB2 . 6787 1 1057 . 1 1 92 92 ASP HB3 H 1 3.10 0.02 . 2 . . . . 462 ASP HB3 . 6787 1 1058 . 1 1 92 92 ASP C C 13 178.71 0.05 . 1 . . . . 462 ASP C . 6787 1 1059 . 1 1 92 92 ASP CA C 13 54.93 0.3 . 1 . . . . 462 ASP CA . 6787 1 1060 . 1 1 92 92 ASP CB C 13 38.69 0.3 . 1 . . . . 462 ASP CB . 6787 1 1061 . 1 1 92 92 ASP N N 15 120.07 0.1 . 1 . . . . 462 ASP N . 6787 1 1062 . 1 1 93 93 MET H H 1 7.55 0.02 . 1 . . . . 463 MET H . 6787 1 1063 . 1 1 93 93 MET HA H 1 3.99 0.02 . 1 . . . . 463 MET HA . 6787 1 1064 . 1 1 93 93 MET HB2 H 1 1.61 0.02 . 2 . . . . 463 MET HB2 . 6787 1 1065 . 1 1 93 93 MET HB3 H 1 2.02 0.02 . 2 . . . . 463 MET HB3 . 6787 1 1066 . 1 1 93 93 MET HG2 H 1 1.36 0.02 . 2 . . . . 463 MET HG2 . 6787 1 1067 . 1 1 93 93 MET HG3 H 1 1.86 0.02 . 2 . . . . 463 MET HG3 . 6787 1 1068 . 1 1 93 93 MET C C 13 177.62 0.05 . 1 . . . . 463 MET C . 6787 1 1069 . 1 1 93 93 MET CA C 13 53.02 0.3 . 1 . . . . 463 MET CA . 6787 1 1070 . 1 1 93 93 MET CB C 13 26.82 0.3 . 1 . . . . 463 MET CB . 6787 1 1071 . 1 1 93 93 MET CG C 13 29.17 0.3 . 1 . . . . 463 MET CG . 6787 1 1072 . 1 1 93 93 MET N N 15 117.16 0.1 . 1 . . . . 463 MET N . 6787 1 1073 . 1 1 94 94 GLN H H 1 7.29 0.02 . 1 . . . . 464 GLN H . 6787 1 1074 . 1 1 94 94 GLN HA H 1 3.91 0.02 . 1 . . . . 464 GLN HA . 6787 1 1075 . 1 1 94 94 GLN HB2 H 1 2.43 0.02 . 1 . . . . 464 GLN HB2 . 6787 1 1076 . 1 1 94 94 GLN HB3 H 1 2.43 0.02 . 1 . . . . 464 GLN HB3 . 6787 1 1077 . 1 1 94 94 GLN HG2 H 1 1.91 0.02 . 2 . . . . 464 GLN HG2 . 6787 1 1078 . 1 1 94 94 GLN HG3 H 1 2.07 0.02 . 2 . . . . 464 GLN HG3 . 6787 1 1079 . 1 1 94 94 GLN HE21 H 1 7.41 0.02 . 2 . . . . 464 GLN HE21 . 6787 1 1080 . 1 1 94 94 GLN HE22 H 1 6.88 0.02 . 2 . . . . 464 GLN HE22 . 6787 1 1081 . 1 1 94 94 GLN C C 13 178.31 0.05 . 1 . . . . 464 GLN C . 6787 1 1082 . 1 1 94 94 GLN CA C 13 54.27 0.3 . 1 . . . . 464 GLN CA . 6787 1 1083 . 1 1 94 94 GLN CB C 13 26.57 0.3 . 1 . . . . 464 GLN CB . 6787 1 1084 . 1 1 94 94 GLN CG C 13 31.24 0.3 . 1 . . . . 464 GLN CG . 6787 1 1085 . 1 1 94 94 GLN N N 15 112.13 0.1 . 1 . . . . 464 GLN N . 6787 1 1086 . 1 1 94 94 GLN NE2 N 15 113.32 0.1 . 1 . . . . 464 GLN NE2 . 6787 1 1087 . 1 1 95 95 ARG H H 1 7.51 0.02 . 1 . . . . 465 ARG H . 6787 1 1088 . 1 1 95 95 ARG HA H 1 4.47 0.02 . 1 . . . . 465 ARG HA . 6787 1 1089 . 1 1 95 95 ARG HB2 H 1 1.74 0.02 . 2 . . . . 465 ARG HB2 . 6787 1 1090 . 1 1 95 95 ARG HB3 H 1 1.78 0.02 . 2 . . . . 465 ARG HB3 . 6787 1 1091 . 1 1 95 95 ARG HG2 H 1 1.60 0.02 . 2 . . . . 465 ARG HG2 . 6787 1 1092 . 1 1 95 95 ARG HG3 H 1 1.63 0.02 . 2 . . . . 465 ARG HG3 . 6787 1 1093 . 1 1 95 95 ARG HD2 H 1 3.07 0.02 . 1 . . . . 465 ARG HD2 . 6787 1 1094 . 1 1 95 95 ARG HD3 H 1 3.07 0.02 . 1 . . . . 465 ARG HD3 . 6787 1 1095 . 1 1 95 95 ARG C C 13 177.96 0.05 . 1 . . . . 465 ARG C . 6787 1 1096 . 1 1 95 95 ARG CA C 13 54.24 0.3 . 1 . . . . 465 ARG CA . 6787 1 1097 . 1 1 95 95 ARG CB C 13 30.68 0.3 . 1 . . . . 465 ARG CB . 6787 1 1098 . 1 1 95 95 ARG CG C 13 24.88 0.3 . 1 . . . . 465 ARG CG . 6787 1 1099 . 1 1 95 95 ARG CD C 13 40.68 0.3 . 1 . . . . 465 ARG CD . 6787 1 1100 . 1 1 95 95 ARG N N 15 115.36 0.1 . 1 . . . . 465 ARG N . 6787 1 1101 . 1 1 96 96 LYS H H 1 8.07 0.02 . 1 . . . . 466 LYS H . 6787 1 1102 . 1 1 96 96 LYS HA H 1 4.96 0.02 . 1 . . . . 466 LYS HA . 6787 1 1103 . 1 1 96 96 LYS HB2 H 1 1.60 0.02 . 2 . . . . 466 LYS HB2 . 6787 1 1104 . 1 1 96 96 LYS HB3 H 1 1.77 0.02 . 2 . . . . 466 LYS HB3 . 6787 1 1105 . 1 1 96 96 LYS HG2 H 1 1.30 0.02 . 2 . . . . 466 LYS HG2 . 6787 1 1106 . 1 1 96 96 LYS HG3 H 1 1.52 0.02 . 2 . . . . 466 LYS HG3 . 6787 1 1107 . 1 1 96 96 LYS HD2 H 1 1.18 0.02 . 2 . . . . 466 LYS HD2 . 6787 1 1108 . 1 1 96 96 LYS HD3 H 1 1.35 0.02 . 2 . . . . 466 LYS HD3 . 6787 1 1109 . 1 1 96 96 LYS HE2 H 1 2.71 0.02 . 2 . . . . 466 LYS HE2 . 6787 1 1110 . 1 1 96 96 LYS HE3 H 1 2.79 0.02 . 2 . . . . 466 LYS HE3 . 6787 1 1111 . 1 1 96 96 LYS C C 13 176.45 0.05 . 1 . . . . 466 LYS C . 6787 1 1112 . 1 1 96 96 LYS CA C 13 54.91 0.3 . 1 . . . . 466 LYS CA . 6787 1 1113 . 1 1 96 96 LYS CB C 13 32.44 0.3 . 1 . . . . 466 LYS CB . 6787 1 1114 . 1 1 96 96 LYS CG C 13 24.82 0.3 . 1 . . . . 466 LYS CG . 6787 1 1115 . 1 1 96 96 LYS CD C 13 27.25 0.3 . 1 . . . . 466 LYS CD . 6787 1 1116 . 1 1 96 96 LYS CE C 13 39.93 0.3 . 1 . . . . 466 LYS CE . 6787 1 1117 . 1 1 96 96 LYS N N 15 117.77 0.1 . 1 . . . . 466 LYS N . 6787 1 1118 . 1 1 97 97 THR H H 1 9.10 0.02 . 1 . . . . 467 THR H . 6787 1 1119 . 1 1 97 97 THR HA H 1 4.58 0.02 . 1 . . . . 467 THR HA . 6787 1 1120 . 1 1 97 97 THR HB H 1 3.72 0.02 . 1 . . . . 467 THR HB . 6787 1 1121 . 1 1 97 97 THR HG21 H 1 0.90 0.02 . 1 . . . . 467 THR HG2 . 6787 1 1122 . 1 1 97 97 THR HG22 H 1 0.90 0.02 . 1 . . . . 467 THR HG2 . 6787 1 1123 . 1 1 97 97 THR HG23 H 1 0.90 0.02 . 1 . . . . 467 THR HG2 . 6787 1 1124 . 1 1 97 97 THR C C 13 172.13 0.05 . 1 . . . . 467 THR C . 6787 1 1125 . 1 1 97 97 THR CA C 13 59.60 0.3 . 1 . . . . 467 THR CA . 6787 1 1126 . 1 1 97 97 THR CB C 13 69.97 0.3 . 1 . . . . 467 THR CB . 6787 1 1127 . 1 1 97 97 THR CG2 C 13 18.93 0.3 . 1 . . . . 467 THR CG2 . 6787 1 1128 . 1 1 97 97 THR N N 15 117.66 0.1 . 1 . . . . 467 THR N . 6787 1 1129 . 1 1 98 98 LEU H H 1 9.04 0.02 . 1 . . . . 468 LEU H . 6787 1 1130 . 1 1 98 98 LEU HA H 1 4.84 0.02 . 1 . . . . 468 LEU HA . 6787 1 1131 . 1 1 98 98 LEU HB2 H 1 1.16 0.02 . 2 . . . . 468 LEU HB2 . 6787 1 1132 . 1 1 98 98 LEU HB3 H 1 1.91 0.02 . 2 . . . . 468 LEU HB3 . 6787 1 1133 . 1 1 98 98 LEU HG H 1 1.29 0.02 . 1 . . . . 468 LEU HG . 6787 1 1134 . 1 1 98 98 LEU HD11 H 1 0.75 0.02 . 2 . . . . 468 LEU HD1 . 6787 1 1135 . 1 1 98 98 LEU HD12 H 1 0.75 0.02 . 2 . . . . 468 LEU HD1 . 6787 1 1136 . 1 1 98 98 LEU HD13 H 1 0.75 0.02 . 2 . . . . 468 LEU HD1 . 6787 1 1137 . 1 1 98 98 LEU HD21 H 1 0.76 0.02 . 2 . . . . 468 LEU HD2 . 6787 1 1138 . 1 1 98 98 LEU HD22 H 1 0.76 0.02 . 2 . . . . 468 LEU HD2 . 6787 1 1139 . 1 1 98 98 LEU HD23 H 1 0.76 0.02 . 2 . . . . 468 LEU HD2 . 6787 1 1140 . 1 1 98 98 LEU C C 13 174.35 0.05 . 1 . . . . 468 LEU C . 6787 1 1141 . 1 1 98 98 LEU CA C 13 50.79 0.3 . 1 . . . . 468 LEU CA . 6787 1 1142 . 1 1 98 98 LEU CB C 13 42.56 0.3 . 1 . . . . 468 LEU CB . 6787 1 1143 . 1 1 98 98 LEU CD1 C 13 24.62 0.3 . 1 . . . . 468 LEU CD1 . 6787 1 1144 . 1 1 98 98 LEU CD2 C 13 21.51 0.3 . 1 . . . . 468 LEU CD2 . 6787 1 1145 . 1 1 98 98 LEU N N 15 126.31 0.1 . 1 . . . . 468 LEU N . 6787 1 1146 . 1 1 99 99 ARG H H 1 9.25 0.02 . 1 . . . . 469 ARG H . 6787 1 1147 . 1 1 99 99 ARG HA H 1 4.77 0.02 . 1 . . . . 469 ARG HA . 6787 1 1148 . 1 1 99 99 ARG HB2 H 1 1.37 0.02 . 2 . . . . 469 ARG HB2 . 6787 1 1149 . 1 1 99 99 ARG HB3 H 1 1.46 0.02 . 2 . . . . 469 ARG HB3 . 6787 1 1150 . 1 1 99 99 ARG HG2 H 1 1.39 0.02 . 1 . . . . 469 ARG HG2 . 6787 1 1151 . 1 1 99 99 ARG HG3 H 1 1.39 0.02 . 1 . . . . 469 ARG HG3 . 6787 1 1152 . 1 1 99 99 ARG HD2 H 1 2.88 0.02 . 2 . . . . 469 ARG HD2 . 6787 1 1153 . 1 1 99 99 ARG HD3 H 1 3.02 0.02 . 2 . . . . 469 ARG HD3 . 6787 1 1154 . 1 1 99 99 ARG C C 13 174.65 0.05 . 1 . . . . 469 ARG C . 6787 1 1155 . 1 1 99 99 ARG CA C 13 52.73 0.3 . 1 . . . . 469 ARG CA . 6787 1 1156 . 1 1 99 99 ARG CB C 13 30.03 0.3 . 1 . . . . 469 ARG CB . 6787 1 1157 . 1 1 99 99 ARG CG C 13 24.85 0.3 . 1 . . . . 469 ARG CG . 6787 1 1158 . 1 1 99 99 ARG CD C 13 41.66 0.3 . 1 . . . . 469 ARG CD . 6787 1 1159 . 1 1 99 99 ARG N N 15 129.25 0.1 . 1 . . . . 469 ARG N . 6787 1 1160 . 1 1 100 100 ILE H H 1 8.78 0.02 . 1 . . . . 470 ILE H . 6787 1 1161 . 1 1 100 100 ILE HA H 1 4.48 0.02 . 1 . . . . 470 ILE HA . 6787 1 1162 . 1 1 100 100 ILE HB H 1 1.33 0.02 . 1 . . . . 470 ILE HB . 6787 1 1163 . 1 1 100 100 ILE HG12 H 1 1.07 0.02 . 2 . . . . 470 ILE HG12 . 6787 1 1164 . 1 1 100 100 ILE HG13 H 1 1.37 0.02 . 2 . . . . 470 ILE HG13 . 6787 1 1165 . 1 1 100 100 ILE HD11 H 1 0.11 0.02 . 1 . . . . 470 ILE HD1 . 6787 1 1166 . 1 1 100 100 ILE HD12 H 1 0.11 0.02 . 1 . . . . 470 ILE HD1 . 6787 1 1167 . 1 1 100 100 ILE HD13 H 1 0.11 0.02 . 1 . . . . 470 ILE HD1 . 6787 1 1168 . 1 1 100 100 ILE C C 13 174.81 0.05 . 1 . . . . 470 ILE C . 6787 1 1169 . 1 1 100 100 ILE CA C 13 58.55 0.3 . 1 . . . . 470 ILE CA . 6787 1 1170 . 1 1 100 100 ILE CB C 13 36.40 0.3 . 1 . . . . 470 ILE CB . 6787 1 1171 . 1 1 100 100 ILE CG1 C 13 24.65 0.3 . 1 . . . . 470 ILE CG1 . 6787 1 1172 . 1 1 100 100 ILE CD1 C 13 15.28 0.3 . 1 . . . . 470 ILE CD1 . 6787 1 1173 . 1 1 100 100 ILE N N 15 129.86 0.1 . 1 . . . . 470 ILE N . 6787 1 1174 . 1 1 101 101 SER H H 1 9.01 0.02 . 1 . . . . 471 SER H . 6787 1 1175 . 1 1 101 101 SER HA H 1 5.11 0.02 . 1 . . . . 471 SER HA . 6787 1 1176 . 1 1 101 101 SER HB2 H 1 3.65 0.02 . 2 . . . . 471 SER HB2 . 6787 1 1177 . 1 1 101 101 SER HB3 H 1 3.78 0.02 . 2 . . . . 471 SER HB3 . 6787 1 1178 . 1 1 101 101 SER C C 13 172.61 0.05 . 1 . . . . 471 SER C . 6787 1 1179 . 1 1 101 101 SER CA C 13 54.96 0.3 . 1 . . . . 471 SER CA . 6787 1 1180 . 1 1 101 101 SER CB C 13 62.42 0.3 . 1 . . . . 471 SER CB . 6787 1 1181 . 1 1 101 101 SER N N 15 120.20 0.1 . 1 . . . . 471 SER N . 6787 1 1182 . 1 1 102 102 VAL H H 1 9.13 0.02 . 1 . . . . 472 VAL H . 6787 1 1183 . 1 1 102 102 VAL HA H 1 4.53 0.02 . 1 . . . . 472 VAL HA . 6787 1 1184 . 1 1 102 102 VAL HB H 1 1.82 0.02 . 1 . . . . 472 VAL HB . 6787 1 1185 . 1 1 102 102 VAL HG11 H 1 0.79 0.02 . 1 . . . . 472 VAL HG1 . 6787 1 1186 . 1 1 102 102 VAL HG12 H 1 0.79 0.02 . 1 . . . . 472 VAL HG1 . 6787 1 1187 . 1 1 102 102 VAL HG13 H 1 0.79 0.02 . 1 . . . . 472 VAL HG1 . 6787 1 1188 . 1 1 102 102 VAL HG21 H 1 0.93 0.02 . 1 . . . . 472 VAL HG2 . 6787 1 1189 . 1 1 102 102 VAL HG22 H 1 0.93 0.02 . 1 . . . . 472 VAL HG2 . 6787 1 1190 . 1 1 102 102 VAL HG23 H 1 0.93 0.02 . 1 . . . . 472 VAL HG2 . 6787 1 1191 . 1 1 102 102 VAL C C 13 175.21 0.05 . 1 . . . . 472 VAL C . 6787 1 1192 . 1 1 102 102 VAL CA C 13 58.81 0.3 . 1 . . . . 472 VAL CA . 6787 1 1193 . 1 1 102 102 VAL CB C 13 28.89 0.3 . 1 . . . . 472 VAL CB . 6787 1 1194 . 1 1 102 102 VAL CG1 C 13 20.28 0.3 . 1 . . . . 472 VAL CG1 . 6787 1 1195 . 1 1 102 102 VAL CG2 C 13 19.17 0.3 . 1 . . . . 472 VAL CG2 . 6787 1 1196 . 1 1 102 102 VAL N N 15 124.42 0.1 . 1 . . . . 472 VAL N . 6787 1 1197 . 1 1 103 103 CYS H H 1 8.75 0.02 . 1 . . . . 473 CYS H . 6787 1 1198 . 1 1 103 103 CYS HA H 1 4.74 0.02 . 1 . . . . 473 CYS HA . 6787 1 1199 . 1 1 103 103 CYS HB2 H 1 1.10 0.02 . 2 . . . . 473 CYS HB2 . 6787 1 1200 . 1 1 103 103 CYS HB3 H 1 2.26 0.02 . 2 . . . . 473 CYS HB3 . 6787 1 1201 . 1 1 103 103 CYS C C 13 180.98 0.05 . 1 . . . . 473 CYS C . 6787 1 1202 . 1 1 103 103 CYS CA C 13 54.93 0.3 . 1 . . . . 473 CYS CA . 6787 1 1203 . 1 1 103 103 CYS CB C 13 29.29 0.3 . 1 . . . . 473 CYS CB . 6787 1 1204 . 1 1 103 103 CYS N N 15 125.69 0.1 . 1 . . . . 473 CYS N . 6787 1 1205 . 1 1 104 104 ASP H H 1 9.16 0.02 . 1 . . . . 474 ASP H . 6787 1 1206 . 1 1 104 104 ASP HA H 1 4.88 0.02 . 1 . . . . 474 ASP HA . 6787 1 1207 . 1 1 104 104 ASP HB2 H 1 2.27 0.02 . 2 . . . . 474 ASP HB2 . 6787 1 1208 . 1 1 104 104 ASP HB3 H 1 2.46 0.02 . 2 . . . . 474 ASP HB3 . 6787 1 1209 . 1 1 104 104 ASP C C 13 174.73 0.05 . 1 . . . . 474 ASP C . 6787 1 1210 . 1 1 104 104 ASP CA C 13 48.82 0.3 . 1 . . . . 474 ASP CA . 6787 1 1211 . 1 1 104 104 ASP CB C 13 42.33 0.3 . 1 . . . . 474 ASP CB . 6787 1 1212 . 1 1 104 104 ASP N N 15 119.20 0.1 . 1 . . . . 474 ASP N . 6787 1 1213 . 1 1 105 105 GLU H H 1 9.49 0.02 . 1 . . . . 475 GLU H . 6787 1 1214 . 1 1 105 105 GLU HA H 1 4.59 0.02 . 1 . . . . 475 GLU HA . 6787 1 1215 . 1 1 105 105 GLU HB2 H 1 2.18 0.02 . 1 . . . . 475 GLU HB2 . 6787 1 1216 . 1 1 105 105 GLU HB3 H 1 2.18 0.02 . 1 . . . . 475 GLU HB3 . 6787 1 1217 . 1 1 105 105 GLU HG2 H 1 2.37 0.02 . 1 . . . . 475 GLU HG2 . 6787 1 1218 . 1 1 105 105 GLU HG3 H 1 2.37 0.02 . 1 . . . . 475 GLU HG3 . 6787 1 1219 . 1 1 105 105 GLU CA C 13 54.89 0.3 . 1 . . . . 475 GLU CA . 6787 1 1220 . 1 1 105 105 GLU CB C 13 29.00 0.3 . 1 . . . . 475 GLU CB . 6787 1 1221 . 1 1 105 105 GLU N N 15 128.05 0.1 . 1 . . . . 475 GLU N . 6787 1 1222 . 1 1 106 106 ASP H H 1 8.50 0.02 . 1 . . . . 476 ASP H . 6787 1 1223 . 1 1 106 106 ASP HA H 1 5.27 0.02 . 1 . . . . 476 ASP HA . 6787 1 1224 . 1 1 106 106 ASP HB2 H 1 2.66 0.02 . 2 . . . . 476 ASP HB2 . 6787 1 1225 . 1 1 106 106 ASP HB3 H 1 3.00 0.02 . 2 . . . . 476 ASP HB3 . 6787 1 1226 . 1 1 106 106 ASP C C 13 174.73 0.05 . 1 . . . . 476 ASP C . 6787 1 1227 . 1 1 106 106 ASP CA C 13 49.90 0.3 . 1 . . . . 476 ASP CA . 6787 1 1228 . 1 1 106 106 ASP CB C 13 39.45 0.3 . 1 . . . . 476 ASP CB . 6787 1 1229 . 1 1 106 106 ASP N N 15 117.79 0.1 . 1 . . . . 476 ASP N . 6787 1 1230 . 1 1 107 107 LYS H H 1 8.03 0.02 . 1 . . . . 477 LYS H . 6787 1 1231 . 1 1 107 107 LYS HA H 1 4.02 0.02 . 1 . . . . 477 LYS HA . 6787 1 1232 . 1 1 107 107 LYS HB2 H 1 1.10 0.02 . 2 . . . . 477 LYS HB2 . 6787 1 1233 . 1 1 107 107 LYS HB3 H 1 1.43 0.02 . 2 . . . . 477 LYS HB3 . 6787 1 1234 . 1 1 107 107 LYS HG2 H 1 1.00 0.02 . 2 . . . . 477 LYS HG2 . 6787 1 1235 . 1 1 107 107 LYS HG3 H 1 1.36 0.02 . 2 . . . . 477 LYS HG3 . 6787 1 1236 . 1 1 107 107 LYS HD2 H 1 1.50 0.02 . 1 . . . . 477 LYS HD2 . 6787 1 1237 . 1 1 107 107 LYS HD3 H 1 1.50 0.02 . 1 . . . . 477 LYS HD3 . 6787 1 1238 . 1 1 107 107 LYS HE2 H 1 2.73 0.02 . 1 . . . . 477 LYS HE2 . 6787 1 1239 . 1 1 107 107 LYS HE3 H 1 2.73 0.02 . 1 . . . . 477 LYS HE3 . 6787 1 1240 . 1 1 107 107 LYS C C 13 177.32 0.05 . 1 . . . . 477 LYS C . 6787 1 1241 . 1 1 107 107 LYS CA C 13 54.67 0.3 . 1 . . . . 477 LYS CA . 6787 1 1242 . 1 1 107 107 LYS CB C 13 30.60 0.3 . 1 . . . . 477 LYS CB . 6787 1 1243 . 1 1 107 107 LYS CG C 13 22.176 0.3 . 1 . . . . 477 LYS CG . 6787 1 1244 . 1 1 107 107 LYS CD C 13 26.53 0.3 . 1 . . . . 477 LYS CD . 6787 1 1245 . 1 1 107 107 LYS CE C 13 40.96 0.3 . 1 . . . . 477 LYS CE . 6787 1 1246 . 1 1 107 107 LYS N N 15 118.81 0.1 . 1 . . . . 477 LYS N . 6787 1 1247 . 1 1 108 108 PHE H H 1 8.61 0.02 . 1 . . . . 478 PHE H . 6787 1 1248 . 1 1 108 108 PHE HA H 1 4.35 0.02 . 1 . . . . 478 PHE HA . 6787 1 1249 . 1 1 108 108 PHE HB2 H 1 3.00 0.02 . 2 . . . . 478 PHE HB2 . 6787 1 1250 . 1 1 108 108 PHE HB3 H 1 3.33 0.02 . 2 . . . . 478 PHE HB3 . 6787 1 1251 . 1 1 108 108 PHE HD1 H 1 7.20 0.02 . 1 . . . . 478 PHE HD1 . 6787 1 1252 . 1 1 108 108 PHE HD2 H 1 7.20 0.02 . 1 . . . . 478 PHE HD2 . 6787 1 1253 . 1 1 108 108 PHE HE1 H 1 7.37 0.02 . 1 . . . . 478 PHE HE1 . 6787 1 1254 . 1 1 108 108 PHE HE2 H 1 7.37 0.02 . 1 . . . . 478 PHE HE2 . 6787 1 1255 . 1 1 108 108 PHE C C 13 176.72 0.05 . 1 . . . . 478 PHE C . 6787 1 1256 . 1 1 108 108 PHE CA C 13 56.33 0.3 . 1 . . . . 478 PHE CA . 6787 1 1257 . 1 1 108 108 PHE CB C 13 34.05 0.3 . 1 . . . . 478 PHE CB . 6787 1 1258 . 1 1 108 108 PHE N N 15 116.36 0.1 . 1 . . . . 478 PHE N . 6787 1 1259 . 1 1 109 109 GLY H H 1 8.40 0.02 . 1 . . . . 479 GLY H . 6787 1 1260 . 1 1 109 109 GLY HA2 H 1 3.71 0.02 . 2 . . . . 479 GLY HA2 . 6787 1 1261 . 1 1 109 109 GLY HA3 H 1 3.97 0.02 . 2 . . . . 479 GLY HA3 . 6787 1 1262 . 1 1 109 109 GLY C C 13 174.71 0.05 . 1 . . . . 479 GLY C . 6787 1 1263 . 1 1 109 109 GLY CA C 13 43.17 0.3 . 1 . . . . 479 GLY CA . 6787 1 1264 . 1 1 109 109 GLY N N 15 106.90 0.1 . 1 . . . . 479 GLY N . 6787 1 1265 . 1 1 110 110 HIS H H 1 7.56 0.02 . 1 . . . . 480 HIS H . 6787 1 1266 . 1 1 110 110 HIS HA H 1 4.80 0.02 . 1 . . . . 480 HIS HA . 6787 1 1267 . 1 1 110 110 HIS HB2 H 1 3.17 0.02 . 2 . . . . 480 HIS HB2 . 6787 1 1268 . 1 1 110 110 HIS HB3 H 1 3.33 0.02 . 2 . . . . 480 HIS HB3 . 6787 1 1269 . 1 1 110 110 HIS HD1 H 1 7.38 0.02 . 1 . . . . 480 HIS HD1 . 6787 1 1270 . 1 1 110 110 HIS HD2 H 1 7.38 0.02 . 1 . . . . 480 HIS HD2 . 6787 1 1271 . 1 1 110 110 HIS HE1 H 1 8.06 0.02 . 1 . . . . 480 HIS HE1 . 6787 1 1272 . 1 1 110 110 HIS C C 13 173.47 0.05 . 1 . . . . 480 HIS C . 6787 1 1273 . 1 1 110 110 HIS CA C 13 52.31 0.3 . 1 . . . . 480 HIS CA . 6787 1 1274 . 1 1 110 110 HIS CB C 13 26.90 0.3 . 1 . . . . 480 HIS CB . 6787 1 1275 . 1 1 110 110 HIS N N 15 118.97 0.1 . 1 . . . . 480 HIS N . 6787 1 1276 . 1 1 111 111 ASN H H 1 8.48 0.02 . 1 . . . . 481 ASN H . 6787 1 1277 . 1 1 111 111 ASN HA H 1 5.26 0.02 . 1 . . . . 481 ASN HA . 6787 1 1278 . 1 1 111 111 ASN HB2 H 1 2.55 0.02 . 2 . . . . 481 ASN HB2 . 6787 1 1279 . 1 1 111 111 ASN HB3 H 1 2.72 0.02 . 2 . . . . 481 ASN HB3 . 6787 1 1280 . 1 1 111 111 ASN HD21 H 1 6.73 0.02 . 2 . . . . 481 ASN HD21 . 6787 1 1281 . 1 1 111 111 ASN HD22 H 1 7.27 0.02 . 2 . . . . 481 ASN HD22 . 6787 1 1282 . 1 1 111 111 ASN C C 13 174.42 0.05 . 1 . . . . 481 ASN C . 6787 1 1283 . 1 1 111 111 ASN CA C 13 50.33 0.3 . 1 . . . . 481 ASN CA . 6787 1 1284 . 1 1 111 111 ASN CB C 13 40.01 0.3 . 1 . . . . 481 ASN CB . 6787 1 1285 . 1 1 111 111 ASN N N 15 120.23 0.1 . 1 . . . . 481 ASN N . 6787 1 1286 . 1 1 111 111 ASN ND2 N 15 114.79 0.1 . 1 . . . . 481 ASN ND2 . 6787 1 1287 . 1 1 112 112 GLU H H 1 8.93 0.02 . 1 . . . . 482 GLU H . 6787 1 1288 . 1 1 112 112 GLU HA H 1 4.68 0.02 . 1 . . . . 482 GLU HA . 6787 1 1289 . 1 1 112 112 GLU HB2 H 1 1.91 0.02 . 2 . . . . 482 GLU HB2 . 6787 1 1290 . 1 1 112 112 GLU HB3 H 1 1.99 0.02 . 2 . . . . 482 GLU HB3 . 6787 1 1291 . 1 1 112 112 GLU HG2 H 1 2.07 0.02 . 2 . . . . 482 GLU HG2 . 6787 1 1292 . 1 1 112 112 GLU HG3 H 1 2.41 0.02 . 2 . . . . 482 GLU HG3 . 6787 1 1293 . 1 1 112 112 GLU C C 13 175.88 0.05 . 1 . . . . 482 GLU C . 6787 1 1294 . 1 1 112 112 GLU CA C 13 52.41 0.3 . 1 . . . . 482 GLU CA . 6787 1 1295 . 1 1 112 112 GLU CB C 13 31.69 0.3 . 1 . . . . 482 GLU CB . 6787 1 1296 . 1 1 112 112 GLU CG C 13 35.49 0.3 . 1 . . . . 482 GLU CG . 6787 1 1297 . 1 1 112 112 GLU N N 15 118.77 0.1 . 1 . . . . 482 GLU N . 6787 1 1298 . 1 1 113 113 PHE H H 1 8.97 0.02 . 1 . . . . 483 PHE H . 6787 1 1299 . 1 1 113 113 PHE HA H 1 4.52 0.02 . 1 . . . . 483 PHE HA . 6787 1 1300 . 1 1 113 113 PHE HB2 H 1 2.81 0.02 . 2 . . . . 483 PHE HB2 . 6787 1 1301 . 1 1 113 113 PHE HB3 H 1 3.07 0.02 . 2 . . . . 483 PHE HB3 . 6787 1 1302 . 1 1 113 113 PHE HD1 H 1 7.15 0.02 . 1 . . . . 483 PHE HD1 . 6787 1 1303 . 1 1 113 113 PHE HD2 H 1 7.15 0.02 . 1 . . . . 483 PHE HD2 . 6787 1 1304 . 1 1 113 113 PHE HE1 H 1 6.94 0.02 . 1 . . . . 483 PHE HE1 . 6787 1 1305 . 1 1 113 113 PHE HE2 H 1 6.94 0.02 . 1 . . . . 483 PHE HE2 . 6787 1 1306 . 1 1 113 113 PHE C C 13 175.08 0.05 . 1 . . . . 483 PHE C . 6787 1 1307 . 1 1 113 113 PHE CA C 13 56.40 0.3 . 1 . . . . 483 PHE CA . 6787 1 1308 . 1 1 113 113 PHE CB C 13 38.05 0.3 . 1 . . . . 483 PHE CB . 6787 1 1309 . 1 1 113 113 PHE N N 15 123.96 0.1 . 1 . . . . 483 PHE N . 6787 1 1310 . 1 1 114 114 ILE H H 1 8.78 0.02 . 1 . . . . 484 ILE H . 6787 1 1311 . 1 1 114 114 ILE HA H 1 3.95 0.02 . 1 . . . . 484 ILE HA . 6787 1 1312 . 1 1 114 114 ILE HB H 1 1.42 0.02 . 1 . . . . 484 ILE HB . 6787 1 1313 . 1 1 114 114 ILE HG21 H 1 0.83 0.02 . 1 . . . . 484 ILE HG2 . 6787 1 1314 . 1 1 114 114 ILE HG22 H 1 0.83 0.02 . 1 . . . . 484 ILE HG2 . 6787 1 1315 . 1 1 114 114 ILE HG23 H 1 0.83 0.02 . 1 . . . . 484 ILE HG2 . 6787 1 1316 . 1 1 114 114 ILE HD11 H 1 0.66 0.02 . 1 . . . . 484 ILE HD1 . 6787 1 1317 . 1 1 114 114 ILE HD12 H 1 0.66 0.02 . 1 . . . . 484 ILE HD1 . 6787 1 1318 . 1 1 114 114 ILE HD13 H 1 0.66 0.02 . 1 . . . . 484 ILE HD1 . 6787 1 1319 . 1 1 114 114 ILE C C 13 175.55 0.05 . 1 . . . . 484 ILE C . 6787 1 1320 . 1 1 114 114 ILE CA C 13 61.57 0.3 . 1 . . . . 484 ILE CA . 6787 1 1321 . 1 1 114 114 ILE CB C 13 36.06 0.3 . 1 . . . . 484 ILE CB . 6787 1 1322 . 1 1 114 114 ILE CG2 C 13 15.23 0.3 . 1 . . . . 484 ILE CG2 . 6787 1 1323 . 1 1 114 114 ILE CD1 C 13 11.59 0.3 . 1 . . . . 484 ILE CD1 . 6787 1 1324 . 1 1 114 114 ILE N N 15 124.25 0.1 . 1 . . . . 484 ILE N . 6787 1 1325 . 1 1 115 115 GLY H H 1 7.13 0.02 . 1 . . . . 485 GLY H . 6787 1 1326 . 1 1 115 115 GLY HA2 H 1 3.53 0.02 . 2 . . . . 485 GLY HA2 . 6787 1 1327 . 1 1 115 115 GLY HA3 H 1 3.99 0.02 . 2 . . . . 485 GLY HA3 . 6787 1 1328 . 1 1 115 115 GLY C C 13 180.65 0.05 . 1 . . . . 485 GLY C . 6787 1 1329 . 1 1 115 115 GLY CA C 13 43.82 0.3 . 1 . . . . 485 GLY CA . 6787 1 1330 . 1 1 115 115 GLY N N 15 99.82 0.1 . 1 . . . . 485 GLY N . 6787 1 1331 . 1 1 116 116 GLU H H 1 9.69 0.02 . 1 . . . . 486 GLU H . 6787 1 1332 . 1 1 116 116 GLU HA H 1 5.74 0.02 . 1 . . . . 486 GLU HA . 6787 1 1333 . 1 1 116 116 GLU HB2 H 1 1.78 0.02 . 2 . . . . 486 GLU HB2 . 6787 1 1334 . 1 1 116 116 GLU HB3 H 1 2.22 0.02 . 2 . . . . 486 GLU HB3 . 6787 1 1335 . 1 1 116 116 GLU HG2 H 1 1.99 0.02 . 2 . . . . 486 GLU HG2 . 6787 1 1336 . 1 1 116 116 GLU HG3 H 1 2.12 0.02 . 2 . . . . 486 GLU HG3 . 6787 1 1337 . 1 1 116 116 GLU C C 13 174.99 0.05 . 1 . . . . 486 GLU C . 6787 1 1338 . 1 1 116 116 GLU CA C 13 51.77 0.3 . 1 . . . . 486 GLU CA . 6787 1 1339 . 1 1 116 116 GLU CB C 13 32.28 0.3 . 1 . . . . 486 GLU CB . 6787 1 1340 . 1 1 116 116 GLU CG C 13 32.38 0.3 . 1 . . . . 486 GLU CG . 6787 1 1341 . 1 1 116 116 GLU N N 15 117.48 0.1 . 1 . . . . 486 GLU N . 6787 1 1342 . 1 1 117 117 THR H H 1 8.83 0.02 . 1 . . . . 487 THR H . 6787 1 1343 . 1 1 117 117 THR HA H 1 4.60 0.02 . 1 . . . . 487 THR HA . 6787 1 1344 . 1 1 117 117 THR HB H 1 4.00 0.02 . 1 . . . . 487 THR HB . 6787 1 1345 . 1 1 117 117 THR HG21 H 1 0.84 0.02 . 1 . . . . 487 THR HG2 . 6787 1 1346 . 1 1 117 117 THR HG22 H 1 0.84 0.02 . 1 . . . . 487 THR HG2 . 6787 1 1347 . 1 1 117 117 THR HG23 H 1 0.84 0.02 . 1 . . . . 487 THR HG2 . 6787 1 1348 . 1 1 117 117 THR C C 13 171.44 0.05 . 1 . . . . 487 THR C . 6787 1 1349 . 1 1 117 117 THR CA C 13 59.03 0.3 . 1 . . . . 487 THR CA . 6787 1 1350 . 1 1 117 117 THR CB C 13 67.27 0.3 . 1 . . . . 487 THR CB . 6787 1 1351 . 1 1 117 117 THR CG2 C 13 16.331 0.3 . 1 . . . . 487 THR CG2 . 6787 1 1352 . 1 1 117 117 THR N N 15 113.05 0.1 . 1 . . . . 487 THR N . 6787 1 1353 . 1 1 118 118 ARG H H 1 8.21 0.02 . 1 . . . . 488 ARG H . 6787 1 1354 . 1 1 118 118 ARG HA H 1 5.30 0.02 . 1 . . . . 488 ARG HA . 6787 1 1355 . 1 1 118 118 ARG HB2 H 1 1.45 0.02 . 2 . . . . 488 ARG HB2 . 6787 1 1356 . 1 1 118 118 ARG HB3 H 1 1.61 0.02 . 2 . . . . 488 ARG HB3 . 6787 1 1357 . 1 1 118 118 ARG HG2 H 1 1.29 0.02 . 1 . . . . 488 ARG HG2 . 6787 1 1358 . 1 1 118 118 ARG HG3 H 1 1.28 0.02 . 1 . . . . 488 ARG HG3 . 6787 1 1359 . 1 1 118 118 ARG HD2 H 1 3.00 0.02 . 1 . . . . 488 ARG HD2 . 6787 1 1360 . 1 1 118 118 ARG HD3 H 1 3.00 0.02 . 1 . . . . 488 ARG HD3 . 6787 1 1361 . 1 1 118 118 ARG C C 13 175.48 0.05 . 1 . . . . 488 ARG C . 6787 1 1362 . 1 1 118 118 ARG CA C 13 52.01 0.3 . 1 . . . . 488 ARG CA . 6787 1 1363 . 1 1 118 118 ARG CB C 13 30.46 0.3 . 1 . . . . 488 ARG CB . 6787 1 1364 . 1 1 118 118 ARG CG C 13 25.19 0.3 . 1 . . . . 488 ARG CG . 6787 1 1365 . 1 1 118 118 ARG CD C 13 41.37 0.3 . 1 . . . . 488 ARG CD . 6787 1 1366 . 1 1 118 118 ARG N N 15 123.10 0.1 . 1 . . . . 488 ARG N . 6787 1 1367 . 1 1 119 119 PHE H H 1 9.07 0.02 . 1 . . . . 489 PHE H . 6787 1 1368 . 1 1 119 119 PHE HA H 1 4.72 0.02 . 1 . . . . 489 PHE HA . 6787 1 1369 . 1 1 119 119 PHE HB2 H 1 2.72 0.02 . 1 . . . . 489 PHE HB2 . 6787 1 1370 . 1 1 119 119 PHE HB3 H 1 2.72 0.02 . 1 . . . . 489 PHE HB3 . 6787 1 1371 . 1 1 119 119 PHE HD1 H 1 6.92 0.02 . 1 . . . . 489 PHE HD1 . 6787 1 1372 . 1 1 119 119 PHE HD2 H 1 6.92 0.02 . 1 . . . . 489 PHE HD2 . 6787 1 1373 . 1 1 119 119 PHE HE1 H 1 7.08 0.02 . 1 . . . . 489 PHE HE1 . 6787 1 1374 . 1 1 119 119 PHE HE2 H 1 7.07 0.02 . 1 . . . . 489 PHE HE2 . 6787 1 1375 . 1 1 119 119 PHE C C 13 174.28 0.05 . 1 . . . . 489 PHE C . 6787 1 1376 . 1 1 119 119 PHE CA C 13 54.98 0.3 . 1 . . . . 489 PHE CA . 6787 1 1377 . 1 1 119 119 PHE CB C 13 40.06 0.3 . 1 . . . . 489 PHE CB . 6787 1 1378 . 1 1 119 119 PHE N N 15 123.94 0.1 . 1 . . . . 489 PHE N . 6787 1 1379 . 1 1 120 120 SER H H 1 8.23 0.02 . 1 . . . . 490 SER H . 6787 1 1380 . 1 1 120 120 SER HA H 1 4.19 0.02 . 1 . . . . 490 SER HA . 6787 1 1381 . 1 1 120 120 SER HB2 H 1 3.54 0.02 . 1 . . . . 490 SER HB2 . 6787 1 1382 . 1 1 120 120 SER HB3 H 1 3.54 0.02 . 1 . . . . 490 SER HB3 . 6787 1 1383 . 1 1 120 120 SER C C 13 173.58 0.05 . 1 . . . . 490 SER C . 6787 1 1384 . 1 1 120 120 SER CA C 13 56.26 0.3 . 1 . . . . 490 SER CA . 6787 1 1385 . 1 1 120 120 SER CB C 13 60.09 0.3 . 1 . . . . 490 SER CB . 6787 1 1386 . 1 1 120 120 SER N N 15 125.62 0.1 . 1 . . . . 490 SER N . 6787 1 1387 . 1 1 121 121 LEU H H 1 7.42 0.02 . 1 . . . . 491 LEU H . 6787 1 1388 . 1 1 121 121 LEU HA H 1 3.86 0.02 . 1 . . . . 491 LEU HA . 6787 1 1389 . 1 1 121 121 LEU HB2 H 1 1.63 0.02 . 2 . . . . 491 LEU HB2 . 6787 1 1390 . 1 1 121 121 LEU HB3 H 1 1.98 0.02 . 2 . . . . 491 LEU HB3 . 6787 1 1391 . 1 1 121 121 LEU HG H 1 1.54 0.02 . 1 . . . . 491 LEU HG . 6787 1 1392 . 1 1 121 121 LEU HD11 H 1 0.87 0.02 . 2 . . . . 491 LEU HD1 . 6787 1 1393 . 1 1 121 121 LEU HD12 H 1 0.87 0.02 . 2 . . . . 491 LEU HD1 . 6787 1 1394 . 1 1 121 121 LEU HD13 H 1 0.87 0.02 . 2 . . . . 491 LEU HD1 . 6787 1 1395 . 1 1 121 121 LEU HD21 H 1 0.65 0.02 . 2 . . . . 491 LEU HD2 . 6787 1 1396 . 1 1 121 121 LEU HD22 H 1 0.65 0.02 . 2 . . . . 491 LEU HD2 . 6787 1 1397 . 1 1 121 121 LEU HD23 H 1 0.65 0.02 . 2 . . . . 491 LEU HD2 . 6787 1 1398 . 1 1 121 121 LEU C C 13 177.74 0.05 . 1 . . . . 491 LEU C . 6787 1 1399 . 1 1 121 121 LEU CA C 13 55.31 0.3 . 1 . . . . 491 LEU CA . 6787 1 1400 . 1 1 121 121 LEU CB C 13 37.65 0.3 . 1 . . . . 491 LEU CB . 6787 1 1401 . 1 1 121 121 LEU CG C 13 22.94 0.3 . 1 . . . . 491 LEU CG . 6787 1 1402 . 1 1 121 121 LEU CD1 C 13 20.47 0.3 . 1 . . . . 491 LEU CD1 . 6787 1 1403 . 1 1 121 121 LEU CD2 C 13 18.43 0.3 . 1 . . . . 491 LEU CD2 . 6787 1 1404 . 1 1 121 121 LEU N N 15 127.15 0.1 . 1 . . . . 491 LEU N . 6787 1 1405 . 1 1 122 122 LYS H H 1 8.02 0.02 . 1 . . . . 492 LYS H . 6787 1 1406 . 1 1 122 122 LYS HA H 1 4.00 0.02 . 1 . . . . 492 LYS HA . 6787 1 1407 . 1 1 122 122 LYS HB2 H 1 1.75 0.02 . 2 . . . . 492 LYS HB2 . 6787 1 1408 . 1 1 122 122 LYS HB3 H 1 1.83 0.02 . 2 . . . . 492 LYS HB3 . 6787 1 1409 . 1 1 122 122 LYS HG2 H 1 1.11 0.02 . 2 . . . . 492 LYS HG2 . 6787 1 1410 . 1 1 122 122 LYS HG3 H 1 1.30 0.02 . 2 . . . . 492 LYS HG3 . 6787 1 1411 . 1 1 122 122 LYS HD2 H 1 1.63 0.02 . 1 . . . . 492 LYS HD2 . 6787 1 1412 . 1 1 122 122 LYS HD3 H 1 1.63 0.02 . 1 . . . . 492 LYS HD3 . 6787 1 1413 . 1 1 122 122 LYS HE2 H 1 2.90 0.02 . 1 . . . . 492 LYS HE2 . 6787 1 1414 . 1 1 122 122 LYS HE3 H 1 2.90 0.02 . 1 . . . . 492 LYS HE3 . 6787 1 1415 . 1 1 122 122 LYS C C 13 177.31 0.05 . 1 . . . . 492 LYS C . 6787 1 1416 . 1 1 122 122 LYS CA C 13 55.40 0.3 . 1 . . . . 492 LYS CA . 6787 1 1417 . 1 1 122 122 LYS CB C 13 28.90 0.3 . 1 . . . . 492 LYS CB . 6787 1 1418 . 1 1 122 122 LYS CG C 13 20.74 0.3 . 1 . . . . 492 LYS CG . 6787 1 1419 . 1 1 122 122 LYS CD C 13 26.94 0.3 . 1 . . . . 492 LYS CD . 6787 1 1420 . 1 1 122 122 LYS CE C 13 39.24 0.3 . 1 . . . . 492 LYS CE . 6787 1 1421 . 1 1 122 122 LYS N N 15 119.20 0.1 . 1 . . . . 492 LYS N . 6787 1 1422 . 1 1 123 123 LYS H H 1 7.49 0.02 . 1 . . . . 493 LYS H . 6787 1 1423 . 1 1 123 123 LYS HA H 1 4.13 0.02 . 1 . . . . 493 LYS HA . 6787 1 1424 . 1 1 123 123 LYS HB2 H 1 1.74 0.02 . 2 . . . . 493 LYS HB2 . 6787 1 1425 . 1 1 123 123 LYS HB3 H 1 2.00 0.02 . 2 . . . . 493 LYS HB3 . 6787 1 1426 . 1 1 123 123 LYS HG2 H 1 1.28 0.02 . 1 . . . . 493 LYS HG2 . 6787 1 1427 . 1 1 123 123 LYS HG3 H 1 1.28 0.02 . 1 . . . . 493 LYS HG3 . 6787 1 1428 . 1 1 123 123 LYS HD2 H 1 1.60 0.02 . 1 . . . . 493 LYS HD2 . 6787 1 1429 . 1 1 123 123 LYS HD3 H 1 1.60 0.02 . 1 . . . . 493 LYS HD3 . 6787 1 1430 . 1 1 123 123 LYS HE2 H 1 2.88 0.02 . 1 . . . . 493 LYS HE2 . 6787 1 1431 . 1 1 123 123 LYS HE3 H 1 2.88 0.02 . 1 . . . . 493 LYS HE3 . 6787 1 1432 . 1 1 123 123 LYS C C 13 177.21 0.05 . 1 . . . . 493 LYS C . 6787 1 1433 . 1 1 123 123 LYS CA C 13 54.13 0.3 . 1 . . . . 493 LYS CA . 6787 1 1434 . 1 1 123 123 LYS CB C 13 30.18 0.3 . 1 . . . . 493 LYS CB . 6787 1 1435 . 1 1 123 123 LYS CG C 13 22.95 0.3 . 1 . . . . 493 LYS CG . 6787 1 1436 . 1 1 123 123 LYS CD C 13 26.42 0.3 . 1 . . . . 493 LYS CD . 6787 1 1437 . 1 1 123 123 LYS CE C 13 39.63 0.3 . 1 . . . . 493 LYS CE . 6787 1 1438 . 1 1 123 123 LYS N N 15 117.21 0.1 . 1 . . . . 493 LYS N . 6787 1 1439 . 1 1 124 124 LEU H H 1 7.75 0.02 . 1 . . . . 494 LEU H . 6787 1 1440 . 1 1 124 124 LEU HA H 1 4.60 0.02 . 1 . . . . 494 LEU HA . 6787 1 1441 . 1 1 124 124 LEU HB2 H 1 1.48 0.02 . 2 . . . . 494 LEU HB2 . 6787 1 1442 . 1 1 124 124 LEU HB3 H 1 2.00 0.02 . 2 . . . . 494 LEU HB3 . 6787 1 1443 . 1 1 124 124 LEU HG H 1 1.87 0.02 . 1 . . . . 494 LEU HG . 6787 1 1444 . 1 1 124 124 LEU HD11 H 1 0.94 0.02 . 2 . . . . 494 LEU HD1 . 6787 1 1445 . 1 1 124 124 LEU HD12 H 1 0.94 0.02 . 2 . . . . 494 LEU HD1 . 6787 1 1446 . 1 1 124 124 LEU HD13 H 1 0.94 0.02 . 2 . . . . 494 LEU HD1 . 6787 1 1447 . 1 1 124 124 LEU HD21 H 1 1.09 0.02 . 2 . . . . 494 LEU HD2 . 6787 1 1448 . 1 1 124 124 LEU HD22 H 1 1.09 0.02 . 2 . . . . 494 LEU HD2 . 6787 1 1449 . 1 1 124 124 LEU HD23 H 1 1.09 0.02 . 2 . . . . 494 LEU HD2 . 6787 1 1450 . 1 1 124 124 LEU C C 13 175.92 0.05 . 1 . . . . 494 LEU C . 6787 1 1451 . 1 1 124 124 LEU CA C 13 51.73 0.3 . 1 . . . . 494 LEU CA . 6787 1 1452 . 1 1 124 124 LEU CB C 13 41.04 0.3 . 1 . . . . 494 LEU CB . 6787 1 1453 . 1 1 124 124 LEU CG C 13 24.02 0.3 . 1 . . . . 494 LEU CG . 6787 1 1454 . 1 1 124 124 LEU CD1 C 13 23.82 0.3 . 1 . . . . 494 LEU CD1 . 6787 1 1455 . 1 1 124 124 LEU CD2 C 13 22.78 0.3 . 1 . . . . 494 LEU CD2 . 6787 1 1456 . 1 1 124 124 LEU N N 15 121.85 0.1 . 1 . . . . 494 LEU N . 6787 1 1457 . 1 1 125 125 LYS H H 1 8.82 0.02 . 1 . . . . 495 LYS H . 6787 1 1458 . 1 1 125 125 LYS HA H 1 4.49 0.02 . 1 . . . . 495 LYS HA . 6787 1 1459 . 1 1 125 125 LYS HB2 H 1 1.74 0.02 . 2 . . . . 495 LYS HB2 . 6787 1 1460 . 1 1 125 125 LYS HB3 H 1 1.80 0.02 . 2 . . . . 495 LYS HB3 . 6787 1 1461 . 1 1 125 125 LYS HG2 H 1 1.07 0.02 . 1 . . . . 495 LYS HG2 . 6787 1 1462 . 1 1 125 125 LYS HG3 H 1 1.08 0.02 . 1 . . . . 495 LYS HG3 . 6787 1 1463 . 1 1 125 125 LYS HD2 H 1 1.50 0.02 . 2 . . . . 495 LYS HD2 . 6787 1 1464 . 1 1 125 125 LYS HD3 H 1 1.68 0.02 . 2 . . . . 495 LYS HD3 . 6787 1 1465 . 1 1 125 125 LYS HE2 H 1 3.05 0.02 . 2 . . . . 495 LYS HE2 . 6787 1 1466 . 1 1 125 125 LYS HE3 H 1 3.22 0.02 . 2 . . . . 495 LYS HE3 . 6787 1 1467 . 1 1 125 125 LYS C C 13 177.18 0.05 . 1 . . . . 495 LYS C . 6787 1 1468 . 1 1 125 125 LYS CA C 13 52.45 0.3 . 1 . . . . 495 LYS CA . 6787 1 1469 . 1 1 125 125 LYS CB C 13 30.75 0.3 . 1 . . . . 495 LYS CB . 6787 1 1470 . 1 1 125 125 LYS CG C 13 22.11 0.3 . 1 . . . . 495 LYS CG . 6787 1 1471 . 1 1 125 125 LYS CD C 13 26.36 0.3 . 1 . . . . 495 LYS CD . 6787 1 1472 . 1 1 125 125 LYS CE C 13 40.25 0.3 . 1 . . . . 495 LYS CE . 6787 1 1473 . 1 1 125 125 LYS N N 15 125.47 0.1 . 1 . . . . 495 LYS N . 6787 1 1474 . 1 1 126 126 ALA H H 1 8.92 0.02 . 1 . . . . 496 ALA H . 6787 1 1475 . 1 1 126 126 ALA HA H 1 4.20 0.02 . 1 . . . . 496 ALA HA . 6787 1 1476 . 1 1 126 126 ALA HB1 H 1 1.41 0.02 . 1 . . . . 496 ALA HB . 6787 1 1477 . 1 1 126 126 ALA HB2 H 1 1.41 0.02 . 1 . . . . 496 ALA HB . 6787 1 1478 . 1 1 126 126 ALA HB3 H 1 1.41 0.02 . 1 . . . . 496 ALA HB . 6787 1 1479 . 1 1 126 126 ALA C C 13 177.69 0.05 . 1 . . . . 496 ALA C . 6787 1 1480 . 1 1 126 126 ALA CA C 13 51.44 0.3 . 1 . . . . 496 ALA CA . 6787 1 1481 . 1 1 126 126 ALA CB C 13 16.69 0.3 . 1 . . . . 496 ALA CB . 6787 1 1482 . 1 1 126 126 ALA N N 15 126.53 0.1 . 1 . . . . 496 ALA N . 6787 1 1483 . 1 1 127 127 ASN H H 1 9.33 0.02 . 1 . . . . 497 ASN H . 6787 1 1484 . 1 1 127 127 ASN HA H 1 4.17 0.02 . 1 . . . . 497 ASN HA . 6787 1 1485 . 1 1 127 127 ASN HB2 H 1 3.02 0.02 . 1 . . . . 497 ASN HB2 . 6787 1 1486 . 1 1 127 127 ASN HB3 H 1 3.02 0.02 . 1 . . . . 497 ASN HB3 . 6787 1 1487 . 1 1 127 127 ASN HD21 H 1 7.58 0.02 . 2 . . . . 497 ASN HD21 . 6787 1 1488 . 1 1 127 127 ASN HD22 H 1 7.01 0.02 . 2 . . . . 497 ASN HD22 . 6787 1 1489 . 1 1 127 127 ASN C C 13 173.89 0.05 . 1 . . . . 497 ASN C . 6787 1 1490 . 1 1 127 127 ASN CA C 13 52.54 0.3 . 1 . . . . 497 ASN CA . 6787 1 1491 . 1 1 127 127 ASN CB C 13 34.47 0.3 . 1 . . . . 497 ASN CB . 6787 1 1492 . 1 1 127 127 ASN N N 15 114.05 0.1 . 1 . . . . 497 ASN N . 6787 1 1493 . 1 1 127 127 ASN ND2 N 15 114.51 0.1 . 1 . . . . 497 ASN ND2 . 6787 1 1494 . 1 1 128 128 GLN H H 1 7.70 0.02 . 1 . . . . 498 GLN H . 6787 1 1495 . 1 1 128 128 GLN HA H 1 4.59 0.02 . 1 . . . . 498 GLN HA . 6787 1 1496 . 1 1 128 128 GLN HB2 H 1 1.79 0.02 . 2 . . . . 498 GLN HB2 . 6787 1 1497 . 1 1 128 128 GLN HB3 H 1 1.96 0.02 . 2 . . . . 498 GLN HB3 . 6787 1 1498 . 1 1 128 128 GLN HG2 H 1 2.12 0.02 . 2 . . . . 498 GLN HG2 . 6787 1 1499 . 1 1 128 128 GLN HG3 H 1 2.29 0.02 . 2 . . . . 498 GLN HG3 . 6787 1 1500 . 1 1 128 128 GLN HE21 H 1 6.72 0.02 . 2 . . . . 498 GLN HE21 . 6787 1 1501 . 1 1 128 128 GLN HE22 H 1 7.54 0.02 . 2 . . . . 498 GLN HE22 . 6787 1 1502 . 1 1 128 128 GLN C C 13 175.14 0.05 . 1 . . . . 498 GLN C . 6787 1 1503 . 1 1 128 128 GLN CA C 13 52.14 0.3 . 1 . . . . 498 GLN CA . 6787 1 1504 . 1 1 128 128 GLN CB C 13 28.08 0.3 . 1 . . . . 498 GLN CB . 6787 1 1505 . 1 1 128 128 GLN CG C 13 30.92 0.3 . 1 . . . . 498 GLN CG . 6787 1 1506 . 1 1 128 128 GLN N N 15 117.85 0.1 . 1 . . . . 498 GLN N . 6787 1 1507 . 1 1 128 128 GLN NE2 N 15 110.90 0.1 . 1 . . . . 498 GLN NE2 . 6787 1 1508 . 1 1 129 129 ARG H H 1 9.08 0.02 . 1 . . . . 499 ARG H . 6787 1 1509 . 1 1 129 129 ARG HA H 1 4.62 0.02 . 1 . . . . 499 ARG HA . 6787 1 1510 . 1 1 129 129 ARG HB2 H 1 1.69 0.02 . 1 . . . . 499 ARG HB2 . 6787 1 1511 . 1 1 129 129 ARG HB3 H 1 1.69 0.02 . 1 . . . . 499 ARG HB3 . 6787 1 1512 . 1 1 129 129 ARG HG2 H 1 1.27 0.02 . 2 . . . . 499 ARG HG2 . 6787 1 1513 . 1 1 129 129 ARG HG3 H 1 1.42 0.02 . 2 . . . . 499 ARG HG3 . 6787 1 1514 . 1 1 129 129 ARG HD2 H 1 3.14 0.02 . 1 . . . . 499 ARG HD2 . 6787 1 1515 . 1 1 129 129 ARG HD3 H 1 3.14 0.02 . 1 . . . . 499 ARG HD3 . 6787 1 1516 . 1 1 129 129 ARG C C 13 175.80 0.05 . 1 . . . . 499 ARG C . 6787 1 1517 . 1 1 129 129 ARG CA C 13 54.20 0.3 . 1 . . . . 499 ARG CA . 6787 1 1518 . 1 1 129 129 ARG CB C 13 27.61 0.3 . 1 . . . . 499 ARG CB . 6787 1 1519 . 1 1 129 129 ARG CG C 13 24.84 0.3 . 1 . . . . 499 ARG CG . 6787 1 1520 . 1 1 129 129 ARG CD C 13 40.49 0.3 . 1 . . . . 499 ARG CD . 6787 1 1521 . 1 1 129 129 ARG N N 15 131.25 0.1 . 1 . . . . 499 ARG N . 6787 1 1522 . 1 1 130 130 LYS H H 1 8.80 0.02 . 1 . . . . 500 LYS H . 6787 1 1523 . 1 1 130 130 LYS HA H 1 4.47 0.02 . 1 . . . . 500 LYS HA . 6787 1 1524 . 1 1 130 130 LYS HB2 H 1 1.48 0.02 . 2 . . . . 500 LYS HB2 . 6787 1 1525 . 1 1 130 130 LYS HB3 H 1 1.52 0.02 . 2 . . . . 500 LYS HB3 . 6787 1 1526 . 1 1 130 130 LYS HG2 H 1 1.15 0.02 . 2 . . . . 500 LYS HG2 . 6787 1 1527 . 1 1 130 130 LYS HG3 H 1 1.48 0.02 . 2 . . . . 500 LYS HG3 . 6787 1 1528 . 1 1 130 130 LYS HD2 H 1 1.49 0.02 . 2 . . . . 500 LYS HD2 . 6787 1 1529 . 1 1 130 130 LYS HD3 H 1 1.68 0.02 . 2 . . . . 500 LYS HD3 . 6787 1 1530 . 1 1 130 130 LYS HE2 H 1 3.03 0.02 . 1 . . . . 500 LYS HE2 . 6787 1 1531 . 1 1 130 130 LYS HE3 H 1 3.03 0.02 . 1 . . . . 500 LYS HE3 . 6787 1 1532 . 1 1 130 130 LYS C C 13 173.64 0.05 . 1 . . . . 500 LYS C . 6787 1 1533 . 1 1 130 130 LYS CA C 13 52.09 0.3 . 1 . . . . 500 LYS CA . 6787 1 1534 . 1 1 130 130 LYS CB C 13 33.45 0.3 . 1 . . . . 500 LYS CB . 6787 1 1535 . 1 1 130 130 LYS CG C 13 22.01 0.3 . 1 . . . . 500 LYS CG . 6787 1 1536 . 1 1 130 130 LYS CD C 13 26.34 0.3 . 1 . . . . 500 LYS CD . 6787 1 1537 . 1 1 130 130 LYS CE C 13 39.85 0.3 . 1 . . . . 500 LYS CE . 6787 1 1538 . 1 1 130 130 LYS N N 15 128.51 0.1 . 1 . . . . 500 LYS N . 6787 1 1539 . 1 1 131 131 ASN H H 1 8.30 0.02 . 1 . . . . 501 ASN H . 6787 1 1540 . 1 1 131 131 ASN HA H 1 4.48 0.02 . 1 . . . . 501 ASN HA . 6787 1 1541 . 1 1 131 131 ASN HB2 H 1 2.42 0.02 . 2 . . . . 501 ASN HB2 . 6787 1 1542 . 1 1 131 131 ASN HB3 H 1 2.60 0.02 . 2 . . . . 501 ASN HB3 . 6787 1 1543 . 1 1 131 131 ASN HD21 H 1 7.40 0.02 . 2 . . . . 501 ASN HD21 . 6787 1 1544 . 1 1 131 131 ASN HD22 H 1 6.82 0.02 . 2 . . . . 501 ASN HD22 . 6787 1 1545 . 1 1 131 131 ASN C C 13 174.09 0.05 . 1 . . . . 501 ASN C . 6787 1 1546 . 1 1 131 131 ASN CA C 13 50.03 0.3 . 1 . . . . 501 ASN CA . 6787 1 1547 . 1 1 131 131 ASN CB C 13 37.85 0.3 . 1 . . . . 501 ASN CB . 6787 1 1548 . 1 1 131 131 ASN N N 15 123.31 0.1 . 1 . . . . 501 ASN N . 6787 1 1549 . 1 1 131 131 ASN ND2 N 15 113.38 0.1 . 1 . . . . 501 ASN ND2 . 6787 1 1550 . 1 1 132 132 PHE H H 1 8.82 0.02 . 1 . . . . 502 PHE H . 6787 1 1551 . 1 1 132 132 PHE HA H 1 4.42 0.02 . 1 . . . . 502 PHE HA . 6787 1 1552 . 1 1 132 132 PHE HB2 H 1 1.13 0.02 . 2 . . . . 502 PHE HB2 . 6787 1 1553 . 1 1 132 132 PHE HB3 H 1 2.22 0.02 . 2 . . . . 502 PHE HB3 . 6787 1 1554 . 1 1 132 132 PHE HD1 H 1 6.65 0.02 . 1 . . . . 502 PHE HD1 . 6787 1 1555 . 1 1 132 132 PHE HD2 H 1 6.65 0.02 . 1 . . . . 502 PHE HD2 . 6787 1 1556 . 1 1 132 132 PHE HE1 H 1 6.59 0.02 . 1 . . . . 502 PHE HE1 . 6787 1 1557 . 1 1 132 132 PHE HE2 H 1 6.59 0.02 . 1 . . . . 502 PHE HE2 . 6787 1 1558 . 1 1 132 132 PHE C C 13 175.09 0.05 . 1 . . . . 502 PHE C . 6787 1 1559 . 1 1 132 132 PHE CA C 13 54.59 0.3 . 1 . . . . 502 PHE CA . 6787 1 1560 . 1 1 132 132 PHE CB C 13 40.07 0.3 . 1 . . . . 502 PHE CB . 6787 1 1561 . 1 1 132 132 PHE N N 15 119.08 0.1 . 1 . . . . 502 PHE N . 6787 1 1562 . 1 1 133 133 ASN H H 1 8.50 0.02 . 1 . . . . 503 ASN H . 6787 1 1563 . 1 1 133 133 ASN HA H 1 5.20 0.02 . 1 . . . . 503 ASN HA . 6787 1 1564 . 1 1 133 133 ASN HB2 H 1 2.55 0.02 . 2 . . . . 503 ASN HB2 . 6787 1 1565 . 1 1 133 133 ASN HB3 H 1 2.87 0.02 . 2 . . . . 503 ASN HB3 . 6787 1 1566 . 1 1 133 133 ASN HD21 H 1 6.34 0.02 . 2 . . . . 503 ASN HD21 . 6787 1 1567 . 1 1 133 133 ASN HD22 H 1 7.29 0.02 . 2 . . . . 503 ASN HD22 . 6787 1 1568 . 1 1 133 133 ASN C C 13 174.93 0.05 . 1 . . . . 503 ASN C . 6787 1 1569 . 1 1 133 133 ASN CA C 13 50.51 0.3 . 1 . . . . 503 ASN CA . 6787 1 1570 . 1 1 133 133 ASN CB C 13 36.74 0.3 . 1 . . . . 503 ASN CB . 6787 1 1571 . 1 1 133 133 ASN N N 15 121.88 0.1 . 1 . . . . 503 ASN N . 6787 1 1572 . 1 1 133 133 ASN ND2 N 15 131.29 0.1 . 1 . . . . 503 ASN ND2 . 6787 1 1573 . 1 1 134 134 ILE H H 1 8.83 0.02 . 1 . . . . 504 ILE H . 6787 1 1574 . 1 1 134 134 ILE HA H 1 4.83 0.02 . 1 . . . . 504 ILE HA . 6787 1 1575 . 1 1 134 134 ILE HB H 1 2.02 0.02 . 1 . . . . 504 ILE HB . 6787 1 1576 . 1 1 134 134 ILE HG12 H 1 1.49 0.02 . 2 . . . . 504 ILE HG12 . 6787 1 1577 . 1 1 134 134 ILE HG13 H 1 1.71 0.02 . 2 . . . . 504 ILE HG13 . 6787 1 1578 . 1 1 134 134 ILE HG21 H 1 1.12 0.02 . 1 . . . . 504 ILE HG2 . 6787 1 1579 . 1 1 134 134 ILE HG22 H 1 1.12 0.02 . 1 . . . . 504 ILE HG2 . 6787 1 1580 . 1 1 134 134 ILE HG23 H 1 1.12 0.02 . 1 . . . . 504 ILE HG2 . 6787 1 1581 . 1 1 134 134 ILE HD11 H 1 1.00 0.02 . 1 . . . . 504 ILE HD1 . 6787 1 1582 . 1 1 134 134 ILE HD12 H 1 1.00 0.02 . 1 . . . . 504 ILE HD1 . 6787 1 1583 . 1 1 134 134 ILE HD13 H 1 1.00 0.02 . 1 . . . . 504 ILE HD1 . 6787 1 1584 . 1 1 134 134 ILE C C 13 175.85 0.05 . 1 . . . . 504 ILE C . 6787 1 1585 . 1 1 134 134 ILE CA C 13 55.79 0.3 . 1 . . . . 504 ILE CA . 6787 1 1586 . 1 1 134 134 ILE CB C 13 40.58 0.3 . 1 . . . . 504 ILE CB . 6787 1 1587 . 1 1 134 134 ILE CG1 C 13 25.53 0.3 . 1 . . . . 504 ILE CG1 . 6787 1 1588 . 1 1 134 134 ILE CG2 C 13 16.83 0.3 . 1 . . . . 504 ILE CG2 . 6787 1 1589 . 1 1 134 134 ILE CD1 C 13 11.38 0.3 . 1 . . . . 504 ILE CD1 . 6787 1 1590 . 1 1 134 134 ILE N N 15 120.29 0.1 . 1 . . . . 504 ILE N . 6787 1 1591 . 1 1 135 135 CYS H H 1 8.73 0.02 . 1 . . . . 505 CYS H . 6787 1 1592 . 1 1 135 135 CYS HA H 1 4.68 0.02 . 1 . . . . 505 CYS HA . 6787 1 1593 . 1 1 135 135 CYS HB2 H 1 2.91 0.02 . 1 . . . . 505 CYS HB2 . 6787 1 1594 . 1 1 135 135 CYS HB3 H 1 3.04 0.02 . 1 . . . . 505 CYS HB3 . 6787 1 1595 . 1 1 135 135 CYS C C 13 174.94 0.05 . 1 . . . . 505 CYS C . 6787 1 1596 . 1 1 135 135 CYS CA C 13 56.73 0.3 . 1 . . . . 505 CYS CA . 6787 1 1597 . 1 1 135 135 CYS CB C 13 25.12 0.3 . 1 . . . . 505 CYS CB . 6787 1 1598 . 1 1 135 135 CYS N N 15 122.83 0.1 . 1 . . . . 505 CYS N . 6787 1 1599 . 1 1 136 136 LEU H H 1 8.47 0.02 . 1 . . . . 506 LEU H . 6787 1 1600 . 1 1 136 136 LEU HA H 1 4.00 0.02 . 1 . . . . 506 LEU HA . 6787 1 1601 . 1 1 136 136 LEU HB2 H 1 1.28 0.02 . 2 . . . . 506 LEU HB2 . 6787 1 1602 . 1 1 136 136 LEU HB3 H 1 1.58 0.02 . 2 . . . . 506 LEU HB3 . 6787 1 1603 . 1 1 136 136 LEU HG H 1 0.99 0.02 . 1 . . . . 506 LEU HG . 6787 1 1604 . 1 1 136 136 LEU HD11 H 1 0.47 0.02 . 1 . . . . 506 LEU HD1 . 6787 1 1605 . 1 1 136 136 LEU HD12 H 1 0.47 0.02 . 1 . . . . 506 LEU HD1 . 6787 1 1606 . 1 1 136 136 LEU HD13 H 1 0.47 0.02 . 1 . . . . 506 LEU HD1 . 6787 1 1607 . 1 1 136 136 LEU HD21 H 1 0.47 0.02 . 1 . . . . 506 LEU HD2 . 6787 1 1608 . 1 1 136 136 LEU HD22 H 1 0.47 0.02 . 1 . . . . 506 LEU HD2 . 6787 1 1609 . 1 1 136 136 LEU HD23 H 1 0.47 0.02 . 1 . . . . 506 LEU HD2 . 6787 1 1610 . 1 1 136 136 LEU C C 13 175.80 0.05 . 1 . . . . 506 LEU C . 6787 1 1611 . 1 1 136 136 LEU CA C 13 52.63 0.3 . 1 . . . . 506 LEU CA . 6787 1 1612 . 1 1 136 136 LEU CB C 13 40.67 0.3 . 1 . . . . 506 LEU CB . 6787 1 1613 . 1 1 136 136 LEU CG C 13 23.93 0.3 . 1 . . . . 506 LEU CG . 6787 1 1614 . 1 1 136 136 LEU CD1 C 13 22.60 0.3 . 1 . . . . 506 LEU CD1 . 6787 1 1615 . 1 1 136 136 LEU CD2 C 13 22.61 0.3 . 1 . . . . 506 LEU CD2 . 6787 1 1616 . 1 1 136 136 LEU N N 15 124.31 0.1 . 1 . . . . 506 LEU N . 6787 1 1617 . 1 1 137 137 GLU H H 1 9.15 0.02 . 1 . . . . 507 GLU H . 6787 1 1618 . 1 1 137 137 GLU HA H 1 4.79 0.02 . 1 . . . . 507 GLU HA . 6787 1 1619 . 1 1 137 137 GLU HB2 H 1 1.98 0.02 . 2 . . . . 507 GLU HB2 . 6787 1 1620 . 1 1 137 137 GLU HB3 H 1 2.14 0.02 . 2 . . . . 507 GLU HB3 . 6787 1 1621 . 1 1 137 137 GLU HG2 H 1 2.27 0.02 . 2 . . . . 507 GLU HG2 . 6787 1 1622 . 1 1 137 137 GLU HG3 H 1 2.38 0.02 . 2 . . . . 507 GLU HG3 . 6787 1 1623 . 1 1 137 137 GLU C C 13 176.11 0.05 . 1 . . . . 507 GLU C . 6787 1 1624 . 1 1 137 137 GLU CA C 13 51.95 0.3 . 1 . . . . 507 GLU CA . 6787 1 1625 . 1 1 137 137 GLU CB C 13 30.79 0.3 . 1 . . . . 507 GLU CB . 6787 1 1626 . 1 1 137 137 GLU CG C 13 33.26 0.3 . 1 . . . . 507 GLU CG . 6787 1 1627 . 1 1 137 137 GLU N N 15 118.85 0.1 . 1 . . . . 507 GLU N . 6787 1 1628 . 1 1 138 138 ARG H H 1 8.48 0.02 . 1 . . . . 508 ARG H . 6787 1 1629 . 1 1 138 138 ARG HA H 1 4.38 0.02 . 1 . . . . 508 ARG HA . 6787 1 1630 . 1 1 138 138 ARG HB2 H 1 1.73 0.02 . 2 . . . . 508 ARG HB2 . 6787 1 1631 . 1 1 138 138 ARG HB3 H 1 1.78 0.02 . 2 . . . . 508 ARG HB3 . 6787 1 1632 . 1 1 138 138 ARG HG2 H 1 1.63 0.02 . 2 . . . . 508 ARG HG2 . 6787 1 1633 . 1 1 138 138 ARG HG3 H 1 1.66 0.02 . 2 . . . . 508 ARG HG3 . 6787 1 1634 . 1 1 138 138 ARG HD2 H 1 3.15 0.02 . 1 . . . . 508 ARG HD2 . 6787 1 1635 . 1 1 138 138 ARG HD3 H 1 3.15 0.02 . 1 . . . . 508 ARG HD3 . 6787 1 1636 . 1 1 138 138 ARG C C 13 175.90 0.05 . 1 . . . . 508 ARG C . 6787 1 1637 . 1 1 138 138 ARG CA C 13 53.63 0.3 . 1 . . . . 508 ARG CA . 6787 1 1638 . 1 1 138 138 ARG CB C 13 28.63 0.3 . 1 . . . . 508 ARG CB . 6787 1 1639 . 1 1 138 138 ARG CG C 13 24.91 0.3 . 1 . . . . 508 ARG CG . 6787 1 1640 . 1 1 138 138 ARG CD C 13 40.94 0.3 . 1 . . . . 508 ARG CD . 6787 1 1641 . 1 1 138 138 ARG N N 15 119.73 0.1 . 1 . . . . 508 ARG N . 6787 1 1642 . 1 1 139 139 VAL H H 1 8.38 0.02 . 1 . . . . 509 VAL H . 6787 1 1643 . 1 1 139 139 VAL HA H 1 3.86 0.02 . 1 . . . . 509 VAL HA . 6787 1 1644 . 1 1 139 139 VAL HB H 1 1.69 0.02 . 1 . . . . 509 VAL HB . 6787 1 1645 . 1 1 139 139 VAL HG11 H 1 0.62 0.02 . 1 . . . . 509 VAL HG1 . 6787 1 1646 . 1 1 139 139 VAL HG12 H 1 0.62 0.02 . 1 . . . . 509 VAL HG1 . 6787 1 1647 . 1 1 139 139 VAL HG13 H 1 0.62 0.02 . 1 . . . . 509 VAL HG1 . 6787 1 1648 . 1 1 139 139 VAL HG21 H 1 0.48 0.02 . 1 . . . . 509 VAL HG2 . 6787 1 1649 . 1 1 139 139 VAL HG22 H 1 0.48 0.02 . 1 . . . . 509 VAL HG2 . 6787 1 1650 . 1 1 139 139 VAL HG23 H 1 0.48 0.02 . 1 . . . . 509 VAL HG2 . 6787 1 1651 . 1 1 139 139 VAL C C 13 176.12 0.05 . 1 . . . . 509 VAL C . 6787 1 1652 . 1 1 139 139 VAL CA C 13 59.77 0.3 . 1 . . . . 509 VAL CA . 6787 1 1653 . 1 1 139 139 VAL CB C 13 29.62 0.3 . 1 . . . . 509 VAL CB . 6787 1 1654 . 1 1 139 139 VAL CG1 C 13 17.93 0.3 . 1 . . . . 509 VAL CG1 . 6787 1 1655 . 1 1 139 139 VAL CG2 C 13 17.93 0.3 . 1 . . . . 509 VAL CG2 . 6787 1 1656 . 1 1 139 139 VAL N N 15 121.97 0.1 . 1 . . . . 509 VAL N . 6787 1 1657 . 1 1 140 140 ILE H H 1 8.10 0.02 . 1 . . . . 510 ILE H . 6787 1 1658 . 1 1 140 140 ILE HA H 1 4.06 0.02 . 1 . . . . 510 ILE HA . 6787 1 1659 . 1 1 140 140 ILE HB H 1 1.71 0.02 . 1 . . . . 510 ILE HB . 6787 1 1660 . 1 1 140 140 ILE HG12 H 1 1.05 0.02 . 2 . . . . 510 ILE HG12 . 6787 1 1661 . 1 1 140 140 ILE HG13 H 1 1.37 0.02 . 2 . . . . 510 ILE HG13 . 6787 1 1662 . 1 1 140 140 ILE HG21 H 1 0.77 0.02 . 1 . . . . 510 ILE HG2 . 6787 1 1663 . 1 1 140 140 ILE HG22 H 1 0.77 0.02 . 1 . . . . 510 ILE HG2 . 6787 1 1664 . 1 1 140 140 ILE HG23 H 1 0.77 0.02 . 1 . . . . 510 ILE HG2 . 6787 1 1665 . 1 1 140 140 ILE HD11 H 1 0.77 0.02 . 1 . . . . 510 ILE HD1 . 6787 1 1666 . 1 1 140 140 ILE HD12 H 1 0.77 0.02 . 1 . . . . 510 ILE HD1 . 6787 1 1667 . 1 1 140 140 ILE HD13 H 1 0.77 0.02 . 1 . . . . 510 ILE HD1 . 6787 1 1668 . 1 1 140 140 ILE C C 13 176.20 0.05 . 1 . . . . 510 ILE C . 6787 1 1669 . 1 1 140 140 ILE CA C 13 58.30 0.3 . 1 . . . . 510 ILE CA . 6787 1 1670 . 1 1 140 140 ILE CB C 13 36.25 0.3 . 1 . . . . 510 ILE CB . 6787 1 1671 . 1 1 140 140 ILE CG1 C 13 24.59 0.3 . 1 . . . . 510 ILE CG1 . 6787 1 1672 . 1 1 140 140 ILE CG2 C 13 14.55 0.3 . 1 . . . . 510 ILE CG2 . 6787 1 1673 . 1 1 140 140 ILE CD1 C 13 9.98 0.3 . 1 . . . . 510 ILE CD1 . 6787 1 1674 . 1 1 140 140 ILE N N 15 126.31 0.1 . 1 . . . . 510 ILE N . 6787 1 stop_ save_