data_15919 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15919 _Entry.Title ; NMR structure of a complex formed by the C-terminal domain of human RAP74 and a phosphorylated peptide from the central domain of the FCP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-08-13 _Entry.Accession_date 2008-08-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ao Yang . . . 15919 2 Karen Abbott . L. . 15919 3 Alexandre Desjardins . . . 15919 4 Paola 'Di Lello' . . . 15919 5 James Omichinski . G. . 15919 6 Pascale Legault . . . 15919 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15919 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CK2 . 15919 FCP1 . 15919 Phosphorylation . 15919 RAP74 . 15919 TFIIF . 15919 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15919 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 345 15919 '15N chemical shifts' 85 15919 '1H chemical shifts' 589 15919 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 4 . . 2012-05-17 2008-08-13 update BMRB 'correct residue number' 15919 3 . . 2010-06-02 2008-08-13 update BMRB 'edit assembly name' 15919 2 . . 2009-05-05 2008-08-13 update BMRB 'complete entry citation' 15919 1 . . 2009-02-16 2008-08-13 original author 'original release' 15919 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K7L 'BMRB Entry Tracking System' 15919 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15919 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19215094 _Citation.Full_citation . _Citation.Title ; NMR structure of a complex formed by the carboxyl-terminal domain of human RAP74 and a phosphorylated peptide from the central domain of the FCP1 Phosphatase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 48 _Citation.Journal_issue 9 _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 1964 _Citation.Page_last 1974 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ao Yang . . . 15919 1 2 Karen Abbott . L. . 15919 1 3 Alexandre Desjardins . . . 15919 1 4 Paola 'Di Lello' . . . 15919 1 5 James Omichinski . G. . 15919 1 6 Pascale Legault . . . 15919 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15919 _Assembly.ID 1 _Assembly.Name 'RAP74/FCP1 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 centFCP1-T584PO4 1 $centFCP1-T584PO4 A . no native no no . . . 15919 1 2 cterRAP74 2 $cterRAP74 B . yes native no no . . . 15919 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_centFCP1-T584PO4 _Entity.Sf_category entity _Entity.Sf_framecode centFCP1-T584PO4 _Entity.Entry_ID 15919 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name centFCP1-T584PO4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code EDXDEDDHLIYLEEILVRV _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 19 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2398.493 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2013-12-03 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2K7L . "Nmr Structure Of A Complex Formed By The C-Terminal Domain Of Human Rap74 And A Phosphorylated Peptide From The Central Domain " . . . . . 100.00 19 100.00 100.00 2.39e-01 . . . . 15919 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 . GLU . 15919 1 2 . ASP . 15919 1 3 . TPO . 15919 1 4 . ASP . 15919 1 5 . GLU . 15919 1 6 . ASP . 15919 1 7 . ASP . 15919 1 8 . HIS . 15919 1 9 . LEU . 15919 1 10 . ILE . 15919 1 11 . TYR . 15919 1 12 . LEU . 15919 1 13 . GLU . 15919 1 14 . GLU . 15919 1 15 . ILE . 15919 1 16 . LEU . 15919 1 17 . VAL . 15919 1 18 . ARG . 15919 1 19 . VAL . 15919 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 15919 1 . ASP 2 2 15919 1 . TPO 3 3 15919 1 . ASP 4 4 15919 1 . GLU 5 5 15919 1 . ASP 6 6 15919 1 . ASP 7 7 15919 1 . HIS 8 8 15919 1 . LEU 9 9 15919 1 . ILE 10 10 15919 1 . TYR 11 11 15919 1 . LEU 12 12 15919 1 . GLU 13 13 15919 1 . GLU 14 14 15919 1 . ILE 15 15 15919 1 . LEU 16 16 15919 1 . VAL 17 17 15919 1 . ARG 18 18 15919 1 . VAL 19 19 15919 1 stop_ save_ save_cterRAP74 _Entity.Sf_category entity _Entity.Sf_framecode cterRAP74 _Entity.Entry_ID 15919 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name cterRAP74 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; STPQPPSGKTTPNSGDVQVT EDAVRRYLTRKPMTTKDLLK KFQTKKTGLSSEQTVNVLAQ ILKRLNPERKMINDKMHFSL KE ; _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 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7906.366 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1I27 . "Crystal Structure Of The C-Terminal Domain Of The Rap74 Subunit Of Human Transcription Factor Iif (Tfiif)" . . . . . 85.37 73 98.57 98.57 9.27e-41 . . . . 15919 2 2 no PDB 1J2X . "Crystal Structure Of Rap74 C-Terminal Domain Complexed With Fcp1 C-Terminal Peptide" . . . . . 85.37 73 98.57 98.57 9.27e-41 . . . . 15919 2 3 no PDB 1NHA . "Solution Structure Of The Carboxyl-Terminal Domain Of Rap74 And Nmr Characterization Of The Fcp-Binding Sites Of Rap74 And Ctd " . . . . . 100.00 82 100.00 100.00 4.56e-51 . . . . 15919 2 4 no PDB 1ONV . "Nmr Structure Of A Complex Containing The Tfiif Subunit Rap74 And The Rnap Ii Ctd Phosphatase Fcp1" . . . . . 100.00 82 100.00 100.00 4.56e-51 . . . . 15919 2 5 no PDB 2K7L . "Nmr Structure Of A Complex Formed By The C-Terminal Domain Of Human Rap74 And A Phosphorylated Peptide From The Central Domain " . . . . . 81.71 67 100.00 100.00 2.18e-39 . . . . 15919 2 6 no DBJ BAG11094 . "transcription initiation factor IIF subunit alpha [synthetic construct]" . . . . . 100.00 517 100.00 100.00 6.20e-48 . . . . 15919 2 7 no DBJ BAG37667 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 517 100.00 100.00 6.20e-48 . . . . 15919 2 8 no DBJ BAG56676 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 415 97.56 98.78 4.34e-47 . . . . 15919 2 9 no DBJ BAG63544 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 432 100.00 100.00 6.93e-49 . . . . 15919 2 10 no DBJ BAK63776 . "transcription initiation factor IIF alpha subunit [Pan troglodytes]" . . . . . 100.00 517 98.78 100.00 4.03e-47 . . . . 15919 2 11 no EMBL CAA45404 . "RAP74 [Homo sapiens]" . . . . . 100.00 517 100.00 100.00 5.89e-48 . . . . 15919 2 12 no EMBL CAA45408 . "RNA polymerase II associated protein RAP74 [Homo sapiens]" . . . . . 100.00 517 100.00 100.00 5.83e-48 . . . . 15919 2 13 no EMBL CAG33079 . "GTF2F1 [Homo sapiens]" . . . . . 100.00 517 98.78 100.00 2.39e-47 . . . . 15919 2 14 no GB AAH00120 . "General transcription factor IIF, polypeptide 1, 74kDa [Homo sapiens]" . . . . . 100.00 517 100.00 100.00 6.20e-48 . . . . 15919 2 15 no GB AAH13007 . "General transcription factor IIF, polypeptide 1, 74kDa [Homo sapiens]" . . . . . 100.00 517 100.00 100.00 6.20e-48 . . . . 15919 2 16 no GB AAP35761 . "general transcription factor IIF, polypeptide 1, 74kDa [Homo sapiens]" . . . . . 100.00 517 100.00 100.00 6.20e-48 . . . . 15919 2 17 no GB AAP36816 . "Homo sapiens general transcription factor IIF, polypeptide 1, 74kDa [synthetic construct]" . . . . . 100.00 518 100.00 100.00 5.97e-48 . . . . 15919 2 18 no GB AAX32213 . "general transcription factor IIF polypeptide 1 [synthetic construct]" . . . . . 100.00 517 100.00 100.00 6.20e-48 . . . . 15919 2 19 no PRF 1804352A . "transcription factor TFIIF:SUBUNIT=large" . . . . . 100.00 517 100.00 100.00 5.83e-48 . . . . 15919 2 20 no PRF 1804353A . "transcription factor RAP74" . . . . . 100.00 517 100.00 100.00 5.89e-48 . . . . 15919 2 21 no REF NP_001267379 . "general transcription factor IIF subunit 1 [Pan troglodytes]" . . . . . 100.00 517 98.78 100.00 4.03e-47 . . . . 15919 2 22 no REF NP_002087 . "general transcription factor IIF subunit 1 [Homo sapiens]" . . . . . 100.00 517 100.00 100.00 6.20e-48 . . . . 15919 2 23 no REF XP_003281617 . "PREDICTED: general transcription factor IIF subunit 1 [Nomascus leucogenys]" . . . . . 100.00 432 98.78 100.00 3.57e-48 . . . . 15919 2 24 no REF XP_003461160 . "PREDICTED: general transcription factor IIF subunit 1 [Cavia porcellus]" . . . . . 100.00 522 97.56 100.00 7.83e-47 . . . . 15919 2 25 no REF XP_003819382 . "PREDICTED: LOW QUALITY PROTEIN: general transcription factor IIF subunit 1 [Pan paniscus]" . . . . . 100.00 517 98.78 100.00 3.67e-47 . . . . 15919 2 26 no SP P35269 . "RecName: Full=General transcription factor IIF subunit 1; AltName: Full=General transcription factor IIF 74 kDa subunit; AltNam" . . . . . 100.00 517 100.00 100.00 6.20e-48 . . . . 15919 2 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 1 436 SER . 15919 2 2 437 THR . 15919 2 3 438 PRO . 15919 2 4 439 GLN . 15919 2 5 440 PRO . 15919 2 6 441 PRO . 15919 2 7 442 SER . 15919 2 8 443 GLY . 15919 2 9 444 LYS . 15919 2 10 445 THR . 15919 2 11 446 THR . 15919 2 12 447 PRO . 15919 2 13 448 ASN . 15919 2 14 449 SER . 15919 2 15 450 GLY . 15919 2 16 451 ASP . 15919 2 17 452 VAL . 15919 2 18 453 GLN . 15919 2 19 454 VAL . 15919 2 20 455 THR . 15919 2 21 456 GLU . 15919 2 22 457 ASP . 15919 2 23 458 ALA . 15919 2 24 459 VAL . 15919 2 25 460 ARG . 15919 2 26 461 ARG . 15919 2 27 462 TYR . 15919 2 28 463 LEU . 15919 2 29 464 THR . 15919 2 30 465 ARG . 15919 2 31 466 LYS . 15919 2 32 467 PRO . 15919 2 33 468 MET . 15919 2 34 469 THR . 15919 2 35 470 THR . 15919 2 36 471 LYS . 15919 2 37 472 ASP . 15919 2 38 473 LEU . 15919 2 39 474 LEU . 15919 2 40 475 LYS . 15919 2 41 476 LYS . 15919 2 42 477 PHE . 15919 2 43 478 GLN . 15919 2 44 479 THR . 15919 2 45 480 LYS . 15919 2 46 481 LYS . 15919 2 47 482 THR . 15919 2 48 483 GLY . 15919 2 49 484 LEU . 15919 2 50 485 SER . 15919 2 51 486 SER . 15919 2 52 487 GLU . 15919 2 53 488 GLN . 15919 2 54 489 THR . 15919 2 55 490 VAL . 15919 2 56 491 ASN . 15919 2 57 492 VAL . 15919 2 58 493 LEU . 15919 2 59 494 ALA . 15919 2 60 495 GLN . 15919 2 61 496 ILE . 15919 2 62 497 LEU . 15919 2 63 498 LYS . 15919 2 64 499 ARG . 15919 2 65 500 LEU . 15919 2 66 501 ASN . 15919 2 67 502 PRO . 15919 2 68 503 GLU . 15919 2 69 504 ARG . 15919 2 70 505 LYS . 15919 2 71 506 MET . 15919 2 72 507 ILE . 15919 2 73 508 ASN . 15919 2 74 509 ASP . 15919 2 75 510 LYS . 15919 2 76 511 MET . 15919 2 77 512 HIS . 15919 2 78 513 PHE . 15919 2 79 514 SER . 15919 2 80 515 LEU . 15919 2 81 516 LYS . 15919 2 82 517 GLU . 15919 2 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 . SER 1 1 15919 2 . THR 2 2 15919 2 . PRO 3 3 15919 2 . GLN 4 4 15919 2 . PRO 5 5 15919 2 . PRO 6 6 15919 2 . SER 7 7 15919 2 . GLY 8 8 15919 2 . LYS 9 9 15919 2 . THR 10 10 15919 2 . THR 11 11 15919 2 . PRO 12 12 15919 2 . ASN 13 13 15919 2 . SER 14 14 15919 2 . GLY 15 15 15919 2 . ASP 16 16 15919 2 . VAL 17 17 15919 2 . GLN 18 18 15919 2 . VAL 19 19 15919 2 . THR 20 20 15919 2 . GLU 21 21 15919 2 . ASP 22 22 15919 2 . ALA 23 23 15919 2 . VAL 24 24 15919 2 . ARG 25 25 15919 2 . ARG 26 26 15919 2 . TYR 27 27 15919 2 . LEU 28 28 15919 2 . THR 29 29 15919 2 . ARG 30 30 15919 2 . LYS 31 31 15919 2 . PRO 32 32 15919 2 . MET 33 33 15919 2 . THR 34 34 15919 2 . THR 35 35 15919 2 . LYS 36 36 15919 2 . ASP 37 37 15919 2 . LEU 38 38 15919 2 . LEU 39 39 15919 2 . LYS 40 40 15919 2 . LYS 41 41 15919 2 . PHE 42 42 15919 2 . GLN 43 43 15919 2 . THR 44 44 15919 2 . LYS 45 45 15919 2 . LYS 46 46 15919 2 . THR 47 47 15919 2 . GLY 48 48 15919 2 . LEU 49 49 15919 2 . SER 50 50 15919 2 . SER 51 51 15919 2 . GLU 52 52 15919 2 . GLN 53 53 15919 2 . THR 54 54 15919 2 . VAL 55 55 15919 2 . ASN 56 56 15919 2 . VAL 57 57 15919 2 . LEU 58 58 15919 2 . ALA 59 59 15919 2 . GLN 60 60 15919 2 . ILE 61 61 15919 2 . LEU 62 62 15919 2 . LYS 63 63 15919 2 . ARG 64 64 15919 2 . LEU 65 65 15919 2 . ASN 66 66 15919 2 . PRO 67 67 15919 2 . GLU 68 68 15919 2 . ARG 69 69 15919 2 . LYS 70 70 15919 2 . MET 71 71 15919 2 . ILE 72 72 15919 2 . ASN 73 73 15919 2 . ASP 74 74 15919 2 . LYS 75 75 15919 2 . MET 76 76 15919 2 . HIS 77 77 15919 2 . PHE 78 78 15919 2 . SER 79 79 15919 2 . LEU 80 80 15919 2 . LYS 81 81 15919 2 . GLU 82 82 15919 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 15919 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $centFCP1-T584PO4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15919 1 2 2 $cterRAP74 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15919 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 15919 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $centFCP1-T584PO4 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15919 1 2 2 $cterRAP74 . 'recombinant technology' . 'Escherichia coli' . . . . Topp2 . . . . . . . . . . . . . . . . . . . . . . 15919 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_TPO _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_TPO _Chem_comp.Entry_ID 15919 _Chem_comp.ID TPO _Chem_comp.Provenance . _Chem_comp.Name PHOSPHOTHREONINE _Chem_comp.Type 'L-peptide linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code TPO _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _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 TPO _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H10 N O6 P' _Chem_comp.Formula_weight 199.099 _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _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 Fri Feb 15 21:05:22 2008 ; _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 CC(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 15919 TPO C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15919 TPO C[C@@H](O[P](O)(O)=O)[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 15919 TPO C[CH](O[P](O)(O)=O)[CH](N)C(O)=O SMILES CACTVS 3.341 15919 TPO InChI=1/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 InChI InChI 1.01 15919 TPO O=P(O)(O)OC(C(N)C(=O)O)C SMILES ACDLabs 10.04 15919 TPO 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 '(2S,3R)-2-amino-3-phosphonooxy-butanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15919 TPO O-phosphono-L-threonine 'SYSTEMATIC NAME' ACDLabs 10.04 15919 TPO 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 C . C . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15919 TPO CA . CA . . C . S . 0 . . . . no no . . . . . . . . . . . . . . . 15919 TPO CB . CB . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15919 TPO CG2 . CG2 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15919 TPO H . H . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15919 TPO H2 . H2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15919 TPO HA . HA . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15919 TPO HB . HB . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15919 TPO HG21 . HG21 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15919 TPO HG22 . HG22 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15919 TPO HG23 . HG23 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15919 TPO HOP2 . HOP2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15919 TPO HOP3 . HOP3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15919 TPO HXT . HXT . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15919 TPO N . N . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15919 TPO O . O . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15919 TPO O1P . O1P . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15919 TPO O2P . O2P . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15919 TPO O3P . O3P . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15919 TPO OG1 . OG1 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15919 TPO OXT . OXT . . O . N . 0 . . . . no yes . . . . . . . . . . . . . . . 15919 TPO P . P . . P . N . 0 . . . . no no . . . . . . . . . . . . . . . 15919 TPO stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA . . . . 15919 TPO 2 . SING N H . . . . 15919 TPO 3 . SING N H2 . . . . 15919 TPO 4 . SING CA CB . . . . 15919 TPO 5 . SING CA C . . . . 15919 TPO 6 . SING CA HA . . . . 15919 TPO 7 . SING CB CG2 . . . . 15919 TPO 8 . SING CB OG1 . . . . 15919 TPO 9 . SING CB HB . . . . 15919 TPO 10 . SING CG2 HG21 . . . . 15919 TPO 11 . SING CG2 HG22 . . . . 15919 TPO 12 . SING CG2 HG23 . . . . 15919 TPO 13 . SING OG1 P . . . . 15919 TPO 14 . DOUB P O1P . . . . 15919 TPO 15 . SING P O2P . . . . 15919 TPO 16 . SING P O3P . . . . 15919 TPO 17 . SING O2P HOP2 . . . . 15919 TPO 18 . SING O3P HOP3 . . . . 15919 TPO 19 . DOUB C O . . . . 15919 TPO 20 . SING C OXT . . . . 15919 TPO 21 . SING OXT HXT . . . . 15919 TPO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-labeled _Sample.Sf_category sample _Sample.Sf_framecode 15N-labeled _Sample.Entry_ID 15919 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10-40 mM sodium phosphate(pH 6.5), 0.25 mM EDTA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 cterRAP74 '[U-98% 15N]' . . 2 $cterRAP74 . . 1 . . mM . . . . 15919 1 2 centFCP1-T584PO4 'natural abundance' . . 1 $centFCP1-T584PO4 . . 1 . . mM . . . . 15919 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15919 1 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15919 1 5 'sodium phosphate' 'natural abundance' . . . . . . 10-40 . . mM . . . . 15919 1 6 EDTA 'natural abundance' . . . . . . 0.25 . . mM . . . . 15919 1 stop_ save_ save_13C_15N-labeled-H2O _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N-labeled-H2O _Sample.Entry_ID 15919 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10-40 mM sodium phosphate(pH 6.5), 0.25 mM EDTA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 cterRAP74 '[U-98% 13C; U-98% 15N]' . . 2 $cterRAP74 . . 1 . . mM . . . . 15919 2 2 centFCP1-T584PO4 'natural abundance' . . 1 $centFCP1-T584PO4 . . 1 . . mM . . . . 15919 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15919 2 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15919 2 5 'sodium phosphate' 'natural abundance' . . . . . . 10-40 . . mM . . . . 15919 2 6 EDTA 'natural abundance' . . . . . . 0.25 . . mM . . . . 15919 2 stop_ save_ save_13C_15N-labeled-D2O _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N-labeled-D2O _Sample.Entry_ID 15919 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10-40 mM sodium phosphate(pH 6.5), 0.25 mM EDTA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 cterRAP74 '[U-98% 13C; U-98% 15N]' . . 2 $cterRAP74 . . 1 . . mM . . . . 15919 3 2 centFCP1-T584PO4 'natural abundance' . . 1 $centFCP1-T584PO4 . . 1 . . mM . . . . 15919 3 3 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 15919 3 4 'sodium phosphate' 'natural abundance' . . . . . . 10-40 . . mM . . . . 15919 3 5 EDTA 'natural abundance' . . . . . . 0.25 . . mM . . . . 15919 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15919 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 15 mM 15919 1 pH 6.5 . pH 15919 1 pressure 1 . atm 15919 1 temperature 300 . K 15919 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15919 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15919 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15919 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15919 _Software.ID 2 _Software.Name NMRView _Software.Version 5.2.2_01 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15919 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15919 2 'data analysis' 15919 2 'peak picking' 15919 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 15919 _Software.ID 3 _Software.Name NMRDraw _Software.Version 2.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15919 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15919 3 processing 15919 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15919 _Software.ID 4 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15919 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15919 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15919 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15919 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Unity . 600 . . . 15919 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15919 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15919 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $13C_15N-labeled-H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15919 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $13C_15N-labeled-D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15919 1 4 '3D HNHA' no . . . . . . . . . . 1 $15N-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15919 1 5 '3D HNCACB' no . . . . . . . . . . 2 $13C_15N-labeled-H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15919 1 6 '3D HNCO' no . . . . . . . . . . 2 $13C_15N-labeled-H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15919 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $13C_15N-labeled-H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15919 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $13C_15N-labeled-D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15919 1 9 '3D HCCH-COSY' no . . . . . . . . . . 3 $13C_15N-labeled-D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15919 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15919 1 11 '3D CCCTOCSY-NHH' no . . . . . . . . . . 2 $13C_15N-labeled-H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15919 1 12 '3D HCCTOCSY-NHH' no . . . . . . . . . . 2 $13C_15N-labeled-H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15919 1 13 '3D 13C-edited HMQC-NOESY' no . . . . . . . . . . 3 $13C_15N-labeled-D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15919 1 14 HBCBCGCDHD_ARO no . . . . . . . . . . 3 $13C_15N-labeled-D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15919 1 15 HBCBCGCDCEHE_ARO no . . . . . . . . . . 3 $13C_15N-labeled-D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15919 1 16 '2D isotope filtered 1H-1H TOCSY' no . . . . . . . . . . 3 $13C_15N-labeled-D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15919 1 17 '2D isotope filtered 1H-1H NOESY' no . . . . . . . . . . 3 $13C_15N-labeled-D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15919 1 18 '2D isotope filtered 1H-1H TOCSY' no . . . . . . . . . . 2 $13C_15N-labeled-H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15919 1 19 '2D isotope filtered 1H-1H NOESY' no . . . . . . . . . . 2 $13C_15N-labeled-H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15919 1 20 '2D 13C F1-filtered, F2-edited NOESY' no . . . . . . . . . . 2 $13C_15N-labeled-H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15919 1 21 '3D 15N/13C F1-filtered, F3-edited NOESY' no . . . . . . . . . . 3 $13C_15N-labeled-D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15919 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15919 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15919 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15919 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15919 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15919 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15919 1 3 '2D 1H-13C HSQC' . . . 15919 1 4 '3D HNHA' . . . 15919 1 5 '3D HNCACB' . . . 15919 1 6 '3D HNCO' . . . 15919 1 7 '3D CBCA(CO)NH' . . . 15919 1 10 '3D 1H-15N NOESY' . . . 15919 1 20 '2D 13C F1-filtered, F2-edited NOESY' . . . 15919 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 . 2 2 1 1 SER H H 1 8.279 0.02 . 1 . . . . 436 S HN . 15919 1 2 . 2 2 1 1 SER HA H 1 4.483 0.02 . 1 . . . . 436 S HA . 15919 1 3 . 2 2 1 1 SER HB2 H 1 3.842 0.02 . 2 . . . . 436 S HB1 . 15919 1 4 . 2 2 1 1 SER HB3 H 1 3.842 0.02 . 2 . . . . 436 S HB2 . 15919 1 5 . 2 2 1 1 SER C C 13 174.184 0.05 . 1 . . . . 436 S C . 15919 1 6 . 2 2 1 1 SER CA C 13 58.128 0.05 . 1 . . . . 436 S CA . 15919 1 7 . 2 2 1 1 SER CB C 13 63.892 0.05 . 1 . . . . 436 S CB . 15919 1 8 . 2 2 1 1 SER N N 15 117.058 0.05 . 1 . . . . 436 S N . 15919 1 9 . 2 2 2 2 THR H H 1 8.152 0.02 . 1 . . . . 437 T HN . 15919 1 10 . 2 2 2 2 THR HA H 1 4.660 0.02 . 1 . . . . 437 T HA . 15919 1 11 . 2 2 2 2 THR HB H 1 4.180 0.02 . 1 . . . . 437 T HB . 15919 1 12 . 2 2 2 2 THR HG21 H 1 1.260 0.02 . 1 . . . . 437 T HG21 . 15919 1 13 . 2 2 2 2 THR HG22 H 1 1.260 0.02 . 1 . . . . 437 T HG21 . 15919 1 14 . 2 2 2 2 THR HG23 H 1 1.260 0.02 . 1 . . . . 437 T HG21 . 15919 1 15 . 2 2 2 2 THR CA C 13 59.858 0.05 . 1 . . . . 437 T CA . 15919 1 16 . 2 2 2 2 THR CB C 13 69.849 0.05 . 1 . . . . 437 T CB . 15919 1 17 . 2 2 2 2 THR CG2 C 13 21.520 0.05 . 1 . . . . 437 T CG2 . 15919 1 18 . 2 2 2 2 THR N N 15 118.415 0.05 . 1 . . . . 437 T N . 15919 1 19 . 2 2 3 3 PRO HA H 1 4.386 0.02 . 1 . . . . 438 P HA . 15919 1 20 . 2 2 3 3 PRO HB2 H 1 1.870 0.02 . 2 . . . . 438 P HB1 . 15919 1 21 . 2 2 3 3 PRO HB3 H 1 2.266 0.02 . 2 . . . . 438 P HB2 . 15919 1 22 . 2 2 3 3 PRO HD2 H 1 3.679 0.02 . 2 . . . . 438 P HD1 . 15919 1 23 . 2 2 3 3 PRO HD3 H 1 3.842 0.02 . 2 . . . . 438 P HD2 . 15919 1 24 . 2 2 3 3 PRO HG2 H 1 1.976 0.02 . 2 . . . . 438 P HG2 . 15919 1 25 . 2 2 3 3 PRO C C 13 176.533 0.05 . 1 . . . . 438 P C . 15919 1 26 . 2 2 3 3 PRO CA C 13 63.065 0.05 . 1 . . . . 438 P CA . 15919 1 27 . 2 2 3 3 PRO CB C 13 32.236 0.05 . 1 . . . . 438 P CB . 15919 1 28 . 2 2 3 3 PRO CD C 13 51.034 0.05 . 1 . . . . 438 P CD . 15919 1 29 . 2 2 3 3 PRO CG C 13 27.349 0.05 . 1 . . . . 438 P CG . 15919 1 30 . 2 2 4 4 GLN H H 1 8.455 0.02 . 1 . . . . 439 Q HN . 15919 1 31 . 2 2 4 4 GLN HA H 1 4.593 0.02 . 1 . . . . 439 Q HA . 15919 1 32 . 2 2 4 4 GLN HB2 H 1 1.940 0.02 . 2 . . . . 439 Q HB1 . 15919 1 33 . 2 2 4 4 GLN HB3 H 1 2.105 0.02 . 2 . . . . 439 Q HB2 . 15919 1 34 . 2 2 4 4 GLN HE21 H 1 7.541 0.02 . 2 . . . . 439 Q HE21 . 15919 1 35 . 2 2 4 4 GLN HE22 H 1 6.811 0.02 . 2 . . . . 439 Q HE22 . 15919 1 36 . 2 2 4 4 GLN HG2 H 1 2.350 0.02 . 2 . . . . 439 Q HG1 . 15919 1 37 . 2 2 4 4 GLN HG3 H 1 2.350 0.02 . 2 . . . . 439 Q HG2 . 15919 1 38 . 2 2 4 4 GLN CA C 13 53.517 0.05 . 1 . . . . 439 Q CA . 15919 1 39 . 2 2 4 4 GLN CB C 13 29.117 0.05 . 1 . . . . 439 Q CB . 15919 1 40 . 2 2 4 4 GLN CG C 13 33.940 0.05 . 1 . . . . 439 Q CG . 15919 1 41 . 2 2 4 4 GLN N N 15 122.187 0.05 . 1 . . . . 439 Q N . 15919 1 42 . 2 2 4 4 GLN NE2 N 15 112.912 0.05 . 1 . . . . 439 Q NE2 . 15919 1 43 . 2 2 5 5 PRO HA H 1 4.749 0.02 . 1 . . . . 440 P HA . 15919 1 44 . 2 2 5 5 PRO HB2 H 1 1.960 0.02 . 2 . . . . 440 P HB1 . 15919 1 45 . 2 2 5 5 PRO HB3 H 1 2.402 0.02 . 2 . . . . 440 P HB2 . 15919 1 46 . 2 2 5 5 PRO HD2 H 1 3.677 0.02 . 2 . . . . 440 P HD1 . 15919 1 47 . 2 2 5 5 PRO HD3 H 1 3.850 0.02 . 2 . . . . 440 P HD2 . 15919 1 48 . 2 2 5 5 PRO HG2 H 1 2.076 0.02 . 2 . . . . 440 P HG1 . 15919 1 49 . 2 2 5 5 PRO HG3 H 1 2.076 0.02 . 2 . . . . 440 P HG2 . 15919 1 50 . 2 2 5 5 PRO CA C 13 60.840 0.05 . 1 . . . . 440 P CA . 15919 1 51 . 2 2 5 5 PRO CB C 13 30.846 0.05 . 1 . . . . 440 P CB . 15919 1 52 . 2 2 6 6 PRO HA H 1 4.440 0.02 . 1 . . . . 441 P HA . 15919 1 53 . 2 2 6 6 PRO HB2 H 1 1.940 0.02 . 2 . . . . 441 P HB1 . 15919 1 54 . 2 2 6 6 PRO HB3 H 1 2.302 0.02 . 2 . . . . 441 P HB2 . 15919 1 55 . 2 2 6 6 PRO HD2 H 1 3.643 0.02 . 2 . . . . 441 P HD1 . 15919 1 56 . 2 2 6 6 PRO HD3 H 1 3.806 0.02 . 2 . . . . 441 P HD2 . 15919 1 57 . 2 2 6 6 PRO HG2 H 1 2.030 0.02 . 2 . . . . 441 P HG1 . 15919 1 58 . 2 2 6 6 PRO HG3 H 1 2.030 0.02 . 2 . . . . 441 P HG2 . 15919 1 59 . 2 2 6 6 PRO C C 13 177.090 0.05 . 1 . . . . 441 P C . 15919 1 60 . 2 2 6 6 PRO CA C 13 63.065 0.05 . 1 . . . . 441 P CA . 15919 1 61 . 2 2 6 6 PRO CB C 13 31.999 0.05 . 1 . . . . 441 P CB . 15919 1 62 . 2 2 6 6 PRO CD C 13 50.470 0.05 . 1 . . . . 441 P CD . 15919 1 63 . 2 2 6 6 PRO CG C 13 27.349 0.05 . 1 . . . . 441 P CG . 15919 1 64 . 2 2 7 7 SER H H 1 8.398 0.02 . 1 . . . . 442 S HN . 15919 1 65 . 2 2 7 7 SER HA H 1 4.422 0.02 . 1 . . . . 442 S HA . 15919 1 66 . 2 2 7 7 SER HB2 H 1 3.878 0.02 . 2 . . . . 442 S HB1 . 15919 1 67 . 2 2 7 7 SER HB3 H 1 3.878 0.02 . 2 . . . . 442 S HB2 . 15919 1 68 . 2 2 7 7 SER C C 13 175.235 0.05 . 1 . . . . 442 S C . 15919 1 69 . 2 2 7 7 SER CA C 13 58.321 0.05 . 1 . . . . 442 S CA . 15919 1 70 . 2 2 7 7 SER CB C 13 64.085 0.05 . 1 . . . . 442 S CB . 15919 1 71 . 2 2 7 7 SER N N 15 115.996 0.05 . 1 . . . . 442 S N . 15919 1 72 . 2 2 8 8 GLY H H 1 8.407 0.02 . 1 . . . . 443 G HN . 15919 1 73 . 2 2 8 8 GLY HA2 H 1 3.969 0.02 . 2 . . . . 443 G HA1 . 15919 1 74 . 2 2 8 8 GLY HA3 H 1 3.969 0.02 . 2 . . . . 443 G HA2 . 15919 1 75 . 2 2 8 8 GLY C C 13 173.968 0.05 . 1 . . . . 443 G C . 15919 1 76 . 2 2 8 8 GLY CA C 13 45.256 0.05 . 1 . . . . 443 G CA . 15919 1 77 . 2 2 8 8 GLY N N 15 110.891 0.05 . 1 . . . . 443 G N . 15919 1 78 . 2 2 9 9 LYS H H 1 8.189 0.02 . 1 . . . . 444 K HN . 15919 1 79 . 2 2 9 9 LYS HA H 1 4.404 0.02 . 1 . . . . 444 K HA . 15919 1 80 . 2 2 9 9 LYS HB2 H 1 1.831 0.02 . 2 . . . . 444 K HB1 . 15919 1 81 . 2 2 9 9 LYS HB3 H 1 1.831 0.02 . 2 . . . . 444 K HB2 . 15919 1 82 . 2 2 9 9 LYS HD2 H 1 1.668 0.02 . 2 . . . . 444 K HD1 . 15919 1 83 . 2 2 9 9 LYS HD3 H 1 1.668 0.02 . 2 . . . . 444 K HD2 . 15919 1 84 . 2 2 9 9 LYS HE2 H 1 2.972 0.02 . 2 . . . . 444 K HE1 . 15919 1 85 . 2 2 9 9 LYS HE3 H 1 2.972 0.02 . 2 . . . . 444 K HE2 . 15919 1 86 . 2 2 9 9 LYS HG2 H 1 1.396 0.02 . 2 . . . . 444 K HG1 . 15919 1 87 . 2 2 9 9 LYS HG3 H 1 1.396 0.02 . 2 . . . . 444 K HG2 . 15919 1 88 . 2 2 9 9 LYS C C 13 176.811 0.05 . 1 . . . . 444 K C . 15919 1 89 . 2 2 9 9 LYS CA C 13 56.207 0.05 . 1 . . . . 444 K CA . 15919 1 90 . 2 2 9 9 LYS CB C 13 33.344 0.05 . 1 . . . . 444 K CB . 15919 1 91 . 2 2 9 9 LYS CD C 13 29.041 0.05 . 1 . . . . 444 K CD . 15919 1 92 . 2 2 9 9 LYS CE C 13 42.199 0.05 . 1 . . . . 444 K CE . 15919 1 93 . 2 2 9 9 LYS CG C 13 24.905 0.05 . 1 . . . . 444 K CG . 15919 1 94 . 2 2 9 9 LYS N N 15 120.757 0.05 . 1 . . . . 444 K N . 15919 1 95 . 2 2 10 10 THR H H 1 8.236 0.02 . 1 . . . . 445 T HN . 15919 1 96 . 2 2 10 10 THR HA H 1 4.386 0.02 . 1 . . . . 445 T HA . 15919 1 97 . 2 2 10 10 THR HB H 1 4.186 0.02 . 1 . . . . 445 T HB . 15919 1 98 . 2 2 10 10 THR HG21 H 1 1.160 0.02 . 1 . . . . 445 T HG21 . 15919 1 99 . 2 2 10 10 THR HG22 H 1 1.160 0.02 . 1 . . . . 445 T HG21 . 15919 1 100 . 2 2 10 10 THR HG23 H 1 1.160 0.02 . 1 . . . . 445 T HG21 . 15919 1 101 . 2 2 10 10 THR C C 13 174.463 0.05 . 1 . . . . 445 T C . 15919 1 102 . 2 2 10 10 THR CA C 13 61.587 0.05 . 1 . . . . 445 T CA . 15919 1 103 . 2 2 10 10 THR CB C 13 70.040 0.05 . 1 . . . . 445 T CB . 15919 1 104 . 2 2 10 10 THR CG2 C 13 21.710 0.05 . 1 . . . . 445 T CG2 . 15919 1 105 . 2 2 10 10 THR N N 15 115.640 0.05 . 1 . . . . 445 T N . 15919 1 106 . 2 2 11 11 THR H H 1 8.243 0.02 . 1 . . . . 446 T HN . 15919 1 107 . 2 2 11 11 THR HA H 1 4.610 0.02 . 1 . . . . 446 T HA . 15919 1 108 . 2 2 11 11 THR HB H 1 4.130 0.02 . 1 . . . . 446 T HB . 15919 1 109 . 2 2 11 11 THR HG21 H 1 1.260 0.02 . 1 . . . . 446 T HG21 . 15919 1 110 . 2 2 11 11 THR HG22 H 1 1.260 0.02 . 1 . . . . 446 T HG21 . 15919 1 111 . 2 2 11 11 THR HG23 H 1 1.260 0.02 . 1 . . . . 446 T HG21 . 15919 1 112 . 2 2 11 11 THR CA C 13 59.858 0.05 . 1 . . . . 446 T CA . 15919 1 113 . 2 2 11 11 THR CB C 13 69.656 0.05 . 1 . . . . 446 T CB . 15919 1 114 . 2 2 11 11 THR CG2 C 13 21.520 0.05 . 1 . . . . 446 T CG2 . 15919 1 115 . 2 2 11 11 THR N N 15 118.913 0.05 . 1 . . . . 446 T N . 15919 1 116 . 2 2 12 12 PRO HA H 1 4.404 0.02 . 1 . . . . 447 P HA . 15919 1 117 . 2 2 12 12 PRO HB2 H 1 1.903 0.02 . 2 . . . . 447 P HB1 . 15919 1 118 . 2 2 12 12 PRO HB3 H 1 2.284 0.02 . 2 . . . . 447 P HB2 . 15919 1 119 . 2 2 12 12 PRO HD2 H 1 3.715 0.02 . 2 . . . . 447 P HD1 . 15919 1 120 . 2 2 12 12 PRO HD3 H 1 3.860 0.02 . 2 . . . . 447 P HD2 . 15919 1 121 . 2 2 12 12 PRO HG2 H 1 2.012 0.02 . 2 . . . . 447 P HG2 . 15919 1 122 . 2 2 12 12 PRO C C 13 176.657 0.05 . 1 . . . . 447 P C . 15919 1 123 . 2 2 12 12 PRO CA C 13 63.316 0.05 . 1 . . . . 447 P CA . 15919 1 124 . 2 2 12 12 PRO CB C 13 32.191 0.05 . 1 . . . . 447 P CB . 15919 1 125 . 2 2 12 12 PRO CD C 13 51.034 0.05 . 1 . . . . 447 P CD . 15919 1 126 . 2 2 12 12 PRO CG C 13 27.537 0.05 . 1 . . . . 447 P CG . 15919 1 127 . 2 2 13 13 ASN H H 1 8.570 0.02 . 1 . . . . 448 N HN . 15919 1 128 . 2 2 13 13 ASN HA H 1 4.712 0.02 . 1 . . . . 448 N HA . 15919 1 129 . 2 2 13 13 ASN HB2 H 1 2.768 0.02 . 2 . . . . 448 N HB1 . 15919 1 130 . 2 2 13 13 ASN HB3 H 1 2.851 0.02 . 2 . . . . 448 N HB2 . 15919 1 131 . 2 2 13 13 ASN HD21 H 1 7.660 0.02 . 2 . . . . 448 N HD21 . 15919 1 132 . 2 2 13 13 ASN HD22 H 1 6.934 0.02 . 2 . . . . 448 N HD22 . 15919 1 133 . 2 2 13 13 ASN C C 13 175.390 0.05 . 1 . . . . 448 N C . 15919 1 134 . 2 2 13 13 ASN CA C 13 53.325 0.05 . 1 . . . . 448 N CA . 15919 1 135 . 2 2 13 13 ASN CB C 13 38.915 0.05 . 1 . . . . 448 N CB . 15919 1 136 . 2 2 13 13 ASN N N 15 119.127 0.05 . 1 . . . . 448 N N . 15919 1 137 . 2 2 13 13 ASN ND2 N 15 113.375 0.05 . 1 . . . . 448 N ND2 . 15919 1 138 . 2 2 14 14 SER H H 1 8.330 0.02 . 1 . . . . 449 S HN . 15919 1 139 . 2 2 14 14 SER HA H 1 4.404 0.02 . 1 . . . . 449 S HA . 15919 1 140 . 2 2 14 14 SER HB2 H 1 3.832 0.02 . 2 . . . . 449 S HB1 . 15919 1 141 . 2 2 14 14 SER HB3 H 1 3.878 0.02 . 2 . . . . 449 S HB2 . 15919 1 142 . 2 2 14 14 SER C C 13 175.050 0.05 . 1 . . . . 449 S C . 15919 1 143 . 2 2 14 14 SER CA C 13 58.705 0.05 . 1 . . . . 449 S CA . 15919 1 144 . 2 2 14 14 SER CB C 13 63.700 0.05 . 1 . . . . 449 S CB . 15919 1 145 . 2 2 14 14 SER N N 15 116.494 0.05 . 1 . . . . 449 S N . 15919 1 146 . 2 2 15 15 GLY H H 1 8.399 0.02 . 1 . . . . 450 G HN . 15919 1 147 . 2 2 15 15 GLY HA2 H 1 3.951 0.02 . 2 . . . . 450 G HA1 . 15919 1 148 . 2 2 15 15 GLY HA3 H 1 3.951 0.02 . 2 . . . . 450 G HA2 . 15919 1 149 . 2 2 15 15 GLY C C 13 173.845 0.05 . 1 . . . . 450 G C . 15919 1 150 . 2 2 15 15 GLY CA C 13 45.448 0.05 . 1 . . . . 450 G CA . 15919 1 151 . 2 2 15 15 GLY N N 15 110.702 0.05 . 1 . . . . 450 G N . 15919 1 152 . 2 2 16 16 ASP H H 1 8.159 0.02 . 1 . . . . 451 D HN . 15919 1 153 . 2 2 16 16 ASP HA H 1 4.639 0.02 . 1 . . . . 451 D HA . 15919 1 154 . 2 2 16 16 ASP HB2 H 1 2.592 0.02 . 2 . . . . 451 D HB1 . 15919 1 155 . 2 2 16 16 ASP HB3 H 1 2.682 0.02 . 2 . . . . 451 D HB2 . 15919 1 156 . 2 2 16 16 ASP C C 13 176.410 0.05 . 1 . . . . 451 D C . 15919 1 157 . 2 2 16 16 ASP CA C 13 54.670 0.05 . 1 . . . . 451 D CA . 15919 1 158 . 2 2 16 16 ASP CB C 13 41.413 0.05 . 1 . . . . 451 D CB . 15919 1 159 . 2 2 16 16 ASP N N 15 120.624 0.05 . 1 . . . . 451 D N . 15919 1 160 . 2 2 17 17 VAL H H 1 8.090 0.02 . 1 . . . . 452 V HN . 15919 1 161 . 2 2 17 17 VAL HA H 1 4.114 0.02 . 1 . . . . 452 V HA . 15919 1 162 . 2 2 17 17 VAL HB H 1 2.012 0.02 . 1 . . . . 452 V HB . 15919 1 163 . 2 2 17 17 VAL HG11 H 1 0.961 0.02 . 2 . . . . 452 V HG11 . 15919 1 164 . 2 2 17 17 VAL HG12 H 1 0.961 0.02 . 2 . . . . 452 V HG11 . 15919 1 165 . 2 2 17 17 VAL HG13 H 1 0.961 0.02 . 2 . . . . 452 V HG11 . 15919 1 166 . 2 2 17 17 VAL HG21 H 1 0.961 0.02 . 2 . . . . 452 V HG21 . 15919 1 167 . 2 2 17 17 VAL HG22 H 1 0.961 0.02 . 2 . . . . 452 V HG21 . 15919 1 168 . 2 2 17 17 VAL HG23 H 1 0.961 0.02 . 2 . . . . 452 V HG21 . 15919 1 169 . 2 2 17 17 VAL C C 13 175.359 0.05 . 1 . . . . 452 V C . 15919 1 170 . 2 2 17 17 VAL CA C 13 62.355 0.05 . 1 . . . . 452 V CA . 15919 1 171 . 2 2 17 17 VAL CB C 13 32.959 0.05 . 1 . . . . 452 V CB . 15919 1 172 . 2 2 17 17 VAL CG1 C 13 21.334 0.05 . 1 . . . . 452 V CG1 . 15919 1 173 . 2 2 17 17 VAL CG2 C 13 21.334 0.05 . 1 . . . . 452 V CG2 . 15919 1 174 . 2 2 17 17 VAL N N 15 120.101 0.05 . 1 . . . . 452 V N . 15919 1 175 . 2 2 18 18 GLN H H 1 8.239 0.02 . 1 . . . . 453 Q HN . 15919 1 176 . 2 2 18 18 GLN HA H 1 4.419 0.02 . 1 . . . . 453 Q HA . 15919 1 177 . 2 2 18 18 GLN HB2 H 1 1.867 0.02 . 2 . . . . 453 Q HB1 . 15919 1 178 . 2 2 18 18 GLN HB3 H 1 2.024 0.02 . 2 . . . . 453 Q HB2 . 15919 1 179 . 2 2 18 18 GLN HE21 H 1 7.513 0.02 . 2 . . . . 453 Q HE21 . 15919 1 180 . 2 2 18 18 GLN HE22 H 1 6.854 0.02 . 2 . . . . 453 Q HE22 . 15919 1 181 . 2 2 18 18 GLN HG2 H 1 2.356 0.02 . 2 . . . . 453 Q HG1 . 15919 1 182 . 2 2 18 18 GLN HG3 H 1 2.356 0.02 . 2 . . . . 453 Q HG2 . 15919 1 183 . 2 2 18 18 GLN C C 13 175.513 0.05 . 1 . . . . 453 Q C . 15919 1 184 . 2 2 18 18 GLN CA C 13 55.247 0.05 . 1 . . . . 453 Q CA . 15919 1 185 . 2 2 18 18 GLN CB C 13 30.654 0.05 . 1 . . . . 453 Q CB . 15919 1 186 . 2 2 18 18 GLN CG C 13 33.864 0.05 . 1 . . . . 453 Q CG . 15919 1 187 . 2 2 18 18 GLN N N 15 122.580 0.05 . 1 . . . . 453 Q N . 15919 1 188 . 2 2 18 18 GLN NE2 N 15 112.989 0.05 . 1 . . . . 453 Q NE2 . 15919 1 189 . 2 2 19 19 VAL H H 1 8.599 0.02 . 1 . . . . 454 V HN . 15919 1 190 . 2 2 19 19 VAL HA H 1 3.552 0.02 . 1 . . . . 454 V HA . 15919 1 191 . 2 2 19 19 VAL HB H 1 1.867 0.02 . 1 . . . . 454 V HB . 15919 1 192 . 2 2 19 19 VAL HG11 H 1 0.110 0.02 . 2 . . . . 454 V HG11 . 15919 1 193 . 2 2 19 19 VAL HG12 H 1 0.110 0.02 . 2 . . . . 454 V HG11 . 15919 1 194 . 2 2 19 19 VAL HG13 H 1 0.110 0.02 . 2 . . . . 454 V HG11 . 15919 1 195 . 2 2 19 19 VAL HG21 H 1 0.599 0.02 . 2 . . . . 454 V HG21 . 15919 1 196 . 2 2 19 19 VAL HG22 H 1 0.599 0.02 . 2 . . . . 454 V HG21 . 15919 1 197 . 2 2 19 19 VAL HG23 H 1 0.599 0.02 . 2 . . . . 454 V HG21 . 15919 1 198 . 2 2 19 19 VAL C C 13 174.370 0.05 . 1 . . . . 454 V C . 15919 1 199 . 2 2 19 19 VAL CA C 13 62.163 0.05 . 1 . . . . 454 V CA . 15919 1 200 . 2 2 19 19 VAL CB C 13 30.077 0.05 . 1 . . . . 454 V CB . 15919 1 201 . 2 2 19 19 VAL CG1 C 13 21.146 0.05 . 1 . . . . 454 V CG1 . 15919 1 202 . 2 2 19 19 VAL CG2 C 13 21.146 0.05 . 1 . . . . 454 V CG2 . 15919 1 203 . 2 2 19 19 VAL N N 15 123.391 0.05 . 1 . . . . 454 V N . 15919 1 204 . 2 2 20 20 THR H H 1 6.748 0.02 . 1 . . . . 455 T HN . 15919 1 205 . 2 2 20 20 THR HA H 1 4.598 0.02 . 1 . . . . 455 T HA . 15919 1 206 . 2 2 20 20 THR HB H 1 4.535 0.02 . 1 . . . . 455 T HB . 15919 1 207 . 2 2 20 20 THR HG21 H 1 1.106 0.02 . 1 . . . . 455 T HG21 . 15919 1 208 . 2 2 20 20 THR HG22 H 1 1.106 0.02 . 1 . . . . 455 T HG21 . 15919 1 209 . 2 2 20 20 THR HG23 H 1 1.106 0.02 . 1 . . . . 455 T HG21 . 15919 1 210 . 2 2 20 20 THR C C 13 174.586 0.05 . 1 . . . . 455 T C . 15919 1 211 . 2 2 20 20 THR CA C 13 58.897 0.05 . 1 . . . . 455 T CA . 15919 1 212 . 2 2 20 20 THR CB C 13 72.346 0.05 . 1 . . . . 455 T CB . 15919 1 213 . 2 2 20 20 THR CG2 C 13 21.871 0.05 . 1 . . . . 455 T CG2 . 15919 1 214 . 2 2 20 20 THR N N 15 113.661 0.05 . 1 . . . . 455 T N . 15919 1 215 . 2 2 21 21 GLU H H 1 9.119 0.02 . 1 . . . . 456 E HN . 15919 1 216 . 2 2 21 21 GLU HA H 1 3.788 0.02 . 1 . . . . 456 E HA . 15919 1 217 . 2 2 21 21 GLU HB2 H 1 1.905 0.02 . 2 . . . . 456 E HB1 . 15919 1 218 . 2 2 21 21 GLU HB3 H 1 2.030 0.02 . 2 . . . . 456 E HB2 . 15919 1 219 . 2 2 21 21 GLU HG2 H 1 2.139 0.02 . 2 . . . . 456 E HG1 . 15919 1 220 . 2 2 21 21 GLU HG3 H 1 2.139 0.02 . 2 . . . . 456 E HG2 . 15919 1 221 . 2 2 21 21 GLU C C 13 177.615 0.05 . 1 . . . . 456 E C . 15919 1 222 . 2 2 21 21 GLU CA C 13 60.050 0.05 . 1 . . . . 456 E CA . 15919 1 223 . 2 2 21 21 GLU CB C 13 29.885 0.05 . 1 . . . . 456 E CB . 15919 1 224 . 2 2 21 21 GLU CG C 13 37.124 0.05 . 1 . . . . 456 E CG . 15919 1 225 . 2 2 21 21 GLU N N 15 122.422 0.05 . 1 . . . . 456 E N . 15919 1 226 . 2 2 22 22 ASP H H 1 8.420 0.02 . 1 . . . . 457 D HN . 15919 1 227 . 2 2 22 22 ASP HA H 1 4.277 0.02 . 1 . . . . 457 D HA . 15919 1 228 . 2 2 22 22 ASP HB2 H 1 2.513 0.02 . 2 . . . . 457 D HB1 . 15919 1 229 . 2 2 22 22 ASP HB3 H 1 2.590 0.02 . 2 . . . . 457 D HB2 . 15919 1 230 . 2 2 22 22 ASP C C 13 177.986 0.05 . 1 . . . . 457 D C . 15919 1 231 . 2 2 22 22 ASP CA C 13 57.552 0.05 . 1 . . . . 457 D CA . 15919 1 232 . 2 2 22 22 ASP CB C 13 41.221 0.05 . 1 . . . . 457 D CB . 15919 1 233 . 2 2 22 22 ASP N N 15 116.720 0.05 . 1 . . . . 457 D N . 15919 1 234 . 2 2 23 23 ALA H H 1 7.855 0.02 . 1 . . . . 458 A HN . 15919 1 235 . 2 2 23 23 ALA HA H 1 3.969 0.02 . 1 . . . . 458 A HA . 15919 1 236 . 2 2 23 23 ALA HB1 H 1 1.650 0.02 . 1 . . . . 458 A HB1 . 15919 1 237 . 2 2 23 23 ALA HB2 H 1 1.650 0.02 . 1 . . . . 458 A HB1 . 15919 1 238 . 2 2 23 23 ALA HB3 H 1 1.650 0.02 . 1 . . . . 458 A HB1 . 15919 1 239 . 2 2 23 23 ALA C C 13 179.562 0.05 . 1 . . . . 458 A C . 15919 1 240 . 2 2 23 23 ALA CA C 13 55.054 0.05 . 1 . . . . 458 A CA . 15919 1 241 . 2 2 23 23 ALA CB C 13 19.126 0.05 . 1 . . . . 458 A CB . 15919 1 242 . 2 2 23 23 ALA N N 15 121.726 0.05 . 1 . . . . 458 A N . 15919 1 243 . 2 2 24 24 VAL H H 1 7.946 0.02 . 1 . . . . 459 V HN . 15919 1 244 . 2 2 24 24 VAL HA H 1 3.679 0.02 . 1 . . . . 459 V HA . 15919 1 245 . 2 2 24 24 VAL HB H 1 1.994 0.02 . 1 . . . . 459 V HB . 15919 1 246 . 2 2 24 24 VAL HG11 H 1 0.780 0.02 . 2 . . . . 459 V HG11 . 15919 1 247 . 2 2 24 24 VAL HG12 H 1 0.780 0.02 . 2 . . . . 459 V HG11 . 15919 1 248 . 2 2 24 24 VAL HG13 H 1 0.780 0.02 . 2 . . . . 459 V HG11 . 15919 1 249 . 2 2 24 24 VAL HG21 H 1 0.943 0.02 . 2 . . . . 459 V HG21 . 15919 1 250 . 2 2 24 24 VAL HG22 H 1 0.943 0.02 . 2 . . . . 459 V HG21 . 15919 1 251 . 2 2 24 24 VAL HG23 H 1 0.943 0.02 . 2 . . . . 459 V HG21 . 15919 1 252 . 2 2 24 24 VAL C C 13 177.399 0.05 . 1 . . . . 459 V C . 15919 1 253 . 2 2 24 24 VAL CA C 13 67.543 0.05 . 1 . . . . 459 V CA . 15919 1 254 . 2 2 24 24 VAL CB C 13 31.614 0.05 . 1 . . . . 459 V CB . 15919 1 255 . 2 2 24 24 VAL CG1 C 13 22.462 0.05 . 1 . . . . 459 V CG1 . 15919 1 256 . 2 2 24 24 VAL CG2 C 13 24.529 0.05 . 1 . . . . 459 V CG2 . 15919 1 257 . 2 2 24 24 VAL N N 15 116.790 0.05 . 1 . . . . 459 V N . 15919 1 258 . 2 2 25 25 ARG H H 1 8.736 0.02 . 1 . . . . 460 R HN . 15919 1 259 . 2 2 25 25 ARG HA H 1 3.697 0.02 . 1 . . . . 460 R HA . 15919 1 260 . 2 2 25 25 ARG HB2 H 1 1.885 0.02 . 2 . . . . 460 R HB1 . 15919 1 261 . 2 2 25 25 ARG HB3 H 1 1.885 0.02 . 2 . . . . 460 R HB2 . 15919 1 262 . 2 2 25 25 ARG HD2 H 1 3.172 0.02 . 2 . . . . 460 R HD1 . 15919 1 263 . 2 2 25 25 ARG HD3 H 1 3.280 0.02 . 2 . . . . 460 R HD2 . 15919 1 264 . 2 2 25 25 ARG HG2 H 1 1.414 0.02 . 2 . . . . 460 R HG1 . 15919 1 265 . 2 2 25 25 ARG HG3 H 1 1.523 0.02 . 2 . . . . 460 R HG2 . 15919 1 266 . 2 2 25 25 ARG C C 13 178.542 0.05 . 1 . . . . 460 R C . 15919 1 267 . 2 2 25 25 ARG CA C 13 59.857 0.05 . 1 . . . . 460 R CA . 15919 1 268 . 2 2 25 25 ARG CB C 13 29.885 0.05 . 1 . . . . 460 R CB . 15919 1 269 . 2 2 25 25 ARG CD C 13 43.139 0.05 . 1 . . . . 460 R CD . 15919 1 270 . 2 2 25 25 ARG CG C 13 28.101 0.05 . 1 . . . . 460 R CG . 15919 1 271 . 2 2 25 25 ARG N N 15 119.432 0.05 . 1 . . . . 460 R N . 15919 1 272 . 2 2 26 26 ARG H H 1 7.880 0.02 . 1 . . . . 461 R HN . 15919 1 273 . 2 2 26 26 ARG HA H 1 3.878 0.02 . 1 . . . . 461 R HA . 15919 1 274 . 2 2 26 26 ARG HB2 H 1 1.689 0.02 . 2 . . . . 461 R HB1 . 15919 1 275 . 2 2 26 26 ARG HB3 H 1 1.795 0.02 . 2 . . . . 461 R HB2 . 15919 1 276 . 2 2 26 26 ARG HD2 H 1 3.009 0.02 . 2 . . . . 461 R HD1 . 15919 1 277 . 2 2 26 26 ARG HD3 H 1 3.081 0.02 . 2 . . . . 461 R HD2 . 15919 1 278 . 2 2 26 26 ARG HG2 H 1 1.378 0.02 . 2 . . . . 461 R HG1 . 15919 1 279 . 2 2 26 26 ARG HG3 H 1 1.650 0.02 . 2 . . . . 461 R HG2 . 15919 1 280 . 2 2 26 26 ARG C C 13 179.377 0.05 . 1 . . . . 461 R C . 15919 1 281 . 2 2 26 26 ARG CA C 13 59.857 0.05 . 1 . . . . 461 R CA . 15919 1 282 . 2 2 26 26 ARG CB C 13 29.885 0.05 . 1 . . . . 461 R CB . 15919 1 283 . 2 2 26 26 ARG CD C 13 43.515 0.05 . 1 . . . . 461 R CD . 15919 1 284 . 2 2 26 26 ARG CG C 13 28.101 0.05 . 1 . . . . 461 R CG . 15919 1 285 . 2 2 26 26 ARG N N 15 119.084 0.05 . 1 . . . . 461 R N . 15919 1 286 . 2 2 27 27 TYR H H 1 7.725 0.02 . 1 . . . . 462 Y HN . 15919 1 287 . 2 2 27 27 TYR HA H 1 4.512 0.02 . 1 . . . . 462 Y HA . 15919 1 288 . 2 2 27 27 TYR HB2 H 1 2.972 0.02 . 2 . . . . 462 Y HB1 . 15919 1 289 . 2 2 27 27 TYR HB3 H 1 3.389 0.02 . 2 . . . . 462 Y HB2 . 15919 1 290 . 2 2 27 27 TYR HD1 H 1 7.138 0.02 . 3 . . . . 462 Y HD1 . 15919 1 291 . 2 2 27 27 TYR HE1 H 1 6.630 0.02 . 3 . . . . 462 Y HE1 . 15919 1 292 . 2 2 27 27 TYR C C 13 178.388 0.05 . 1 . . . . 462 Y C . 15919 1 293 . 2 2 27 27 TYR CA C 13 61.394 0.05 . 1 . . . . 462 Y CA . 15919 1 294 . 2 2 27 27 TYR CB C 13 37.763 0.05 . 1 . . . . 462 Y CB . 15919 1 295 . 2 2 27 27 TYR N N 15 117.505 0.05 . 1 . . . . 462 Y N . 15919 1 296 . 2 2 28 28 LEU H H 1 8.312 0.02 . 1 . . . . 463 L HN . 15919 1 297 . 2 2 28 28 LEU HA H 1 4.585 0.02 . 1 . . . . 463 L HA . 15919 1 298 . 2 2 28 28 LEU HB2 H 1 1.360 0.02 . 2 . . . . 463 L HB1 . 15919 1 299 . 2 2 28 28 LEU HB3 H 1 1.867 0.02 . 2 . . . . 463 L HB2 . 15919 1 300 . 2 2 28 28 LEU HD11 H 1 0.689 0.02 . 2 . . . . 463 L HD11 . 15919 1 301 . 2 2 28 28 LEU HD12 H 1 0.689 0.02 . 2 . . . . 463 L HD11 . 15919 1 302 . 2 2 28 28 LEU HD13 H 1 0.689 0.02 . 2 . . . . 463 L HD11 . 15919 1 303 . 2 2 28 28 LEU HD21 H 1 0.979 0.02 . 2 . . . . 463 L HD21 . 15919 1 304 . 2 2 28 28 LEU HD22 H 1 0.979 0.02 . 2 . . . . 463 L HD21 . 15919 1 305 . 2 2 28 28 LEU HD23 H 1 0.979 0.02 . 2 . . . . 463 L HD21 . 15919 1 306 . 2 2 28 28 LEU HG H 1 2.066 0.02 . 1 . . . . 463 L HG . 15919 1 307 . 2 2 28 28 LEU C C 13 178.573 0.05 . 1 . . . . 463 L C . 15919 1 308 . 2 2 28 28 LEU CA C 13 56.591 0.05 . 1 . . . . 463 L CA . 15919 1 309 . 2 2 28 28 LEU CB C 13 42.374 0.05 . 1 . . . . 463 L CB . 15919 1 310 . 2 2 28 28 LEU CD1 C 13 26.597 0.05 . 1 . . . . 463 L CD1 . 15919 1 311 . 2 2 28 28 LEU CD2 C 13 23.589 0.05 . 1 . . . . 463 L CD2 . 15919 1 312 . 2 2 28 28 LEU CG C 13 26.597 0.05 . 1 . . . . 463 L CG . 15919 1 313 . 2 2 28 28 LEU N N 15 115.190 0.05 . 1 . . . . 463 L N . 15919 1 314 . 2 2 29 29 THR H H 1 7.954 0.02 . 1 . . . . 464 T HN . 15919 1 315 . 2 2 29 29 THR HA H 1 4.531 0.02 . 1 . . . . 464 T HA . 15919 1 316 . 2 2 29 29 THR HB H 1 4.204 0.02 . 1 . . . . 464 T HB . 15919 1 317 . 2 2 29 29 THR HG21 H 1 1.179 0.02 . 1 . . . . 464 T HG21 . 15919 1 318 . 2 2 29 29 THR HG22 H 1 1.179 0.02 . 1 . . . . 464 T HG21 . 15919 1 319 . 2 2 29 29 THR HG23 H 1 1.179 0.02 . 1 . . . . 464 T HG21 . 15919 1 320 . 2 2 29 29 THR C C 13 175.822 0.05 . 1 . . . . 464 T C . 15919 1 321 . 2 2 29 29 THR CA C 13 63.508 0.05 . 1 . . . . 464 T CA . 15919 1 322 . 2 2 29 29 THR CB C 13 69.656 0.05 . 1 . . . . 464 T CB . 15919 1 323 . 2 2 29 29 THR CG2 C 13 21.871 0.05 . 1 . . . . 464 T CG2 . 15919 1 324 . 2 2 29 29 THR N N 15 111.922 0.05 . 1 . . . . 464 T N . 15919 1 325 . 2 2 30 30 ARG H H 1 7.430 0.02 . 1 . . . . 465 R HN . 15919 1 326 . 2 2 30 30 ARG HA H 1 4.204 0.02 . 1 . . . . 465 R HA . 15919 1 327 . 2 2 30 30 ARG HB2 H 1 2.048 0.02 . 2 . . . . 465 R HB1 . 15919 1 328 . 2 2 30 30 ARG HB3 H 1 2.048 0.02 . 2 . . . . 465 R HB2 . 15919 1 329 . 2 2 30 30 ARG HD2 H 1 3.226 0.02 . 2 . . . . 465 R HD1 . 15919 1 330 . 2 2 30 30 ARG HD3 H 1 3.226 0.02 . 2 . . . . 465 R HD2 . 15919 1 331 . 2 2 30 30 ARG HG2 H 1 1.704 0.02 . 2 . . . . 465 R HG1 . 15919 1 332 . 2 2 30 30 ARG HG3 H 1 1.849 0.02 . 2 . . . . 465 R HG2 . 15919 1 333 . 2 2 30 30 ARG C C 13 176.719 0.05 . 1 . . . . 465 R C . 15919 1 334 . 2 2 30 30 ARG CA C 13 58.512 0.05 . 1 . . . . 465 R CA . 15919 1 335 . 2 2 30 30 ARG CB C 13 31.038 0.05 . 1 . . . . 465 R CB . 15919 1 336 . 2 2 30 30 ARG CD C 13 43.703 0.05 . 1 . . . . 465 R CD . 15919 1 337 . 2 2 30 30 ARG CG C 13 27.349 0.05 . 1 . . . . 465 R CG . 15919 1 338 . 2 2 30 30 ARG N N 15 122.491 0.05 . 1 . . . . 465 R N . 15919 1 339 . 2 2 31 31 LYS H H 1 7.821 0.02 . 1 . . . . 466 K HN . 15919 1 340 . 2 2 31 31 LYS HA H 1 4.716 0.02 . 1 . . . . 466 K HA . 15919 1 341 . 2 2 31 31 LYS HB2 H 1 1.800 0.02 . 2 . . . . 466 K HB1 . 15919 1 342 . 2 2 31 31 LYS HB3 H 1 1.880 0.02 . 2 . . . . 466 K HB2 . 15919 1 343 . 2 2 31 31 LYS HG2 H 1 1.313 0.02 . 2 . . . . 466 K HG1 . 15919 1 344 . 2 2 31 31 LYS HG3 H 1 1.439 0.02 . 2 . . . . 466 K HG2 . 15919 1 345 . 2 2 31 31 LYS CA C 13 54.478 0.05 . 1 . . . . 466 K CA . 15919 1 346 . 2 2 31 31 LYS CB C 13 33.343 0.05 . 1 . . . . 466 K CB . 15919 1 347 . 2 2 31 31 LYS N N 15 116.790 0.05 . 1 . . . . 466 K N . 15919 1 348 . 2 2 32 32 PRO HA H 1 5.038 0.02 . 1 . . . . 467 P HA . 15919 1 349 . 2 2 32 32 PRO HB2 H 1 1.722 0.02 . 2 . . . . 467 P HB1 . 15919 1 350 . 2 2 32 32 PRO HB3 H 1 1.976 0.02 . 2 . . . . 467 P HB2 . 15919 1 351 . 2 2 32 32 PRO HD2 H 1 3.534 0.02 . 2 . . . . 467 P HD1 . 15919 1 352 . 2 2 32 32 PRO HD3 H 1 3.806 0.02 . 2 . . . . 467 P HD2 . 15919 1 353 . 2 2 32 32 PRO HG2 H 1 1.795 0.02 . 2 . . . . 467 P HG1 . 15919 1 354 . 2 2 32 32 PRO HG3 H 1 1.958 0.02 . 2 . . . . 467 P HG2 . 15919 1 355 . 2 2 32 32 PRO C C 13 178.017 0.05 . 1 . . . . 467 P C . 15919 1 356 . 2 2 32 32 PRO CA C 13 62.163 0.05 . 1 . . . . 467 P CA . 15919 1 357 . 2 2 32 32 PRO CB C 13 31.807 0.05 . 1 . . . . 467 P CB . 15919 1 358 . 2 2 32 32 PRO CD C 13 50.484 0.05 . 1 . . . . 467 P CD . 15919 1 359 . 2 2 32 32 PRO CG C 13 28.007 0.05 . 1 . . . . 467 P CG . 15919 1 360 . 2 2 33 33 MET H H 1 8.928 0.02 . 1 . . . . 468 M HN . 15919 1 361 . 2 2 33 33 MET HA H 1 5.219 0.02 . 1 . . . . 468 M HA . 15919 1 362 . 2 2 33 33 MET HB2 H 1 1.885 0.02 . 2 . . . . 468 M HB1 . 15919 1 363 . 2 2 33 33 MET HB3 H 1 2.266 0.02 . 2 . . . . 468 M HB2 . 15919 1 364 . 2 2 33 33 MET HE1 H 1 1.867 0.02 . 1 . . . . 468 M HE1 . 15919 1 365 . 2 2 33 33 MET HE2 H 1 1.867 0.02 . 1 . . . . 468 M HE1 . 15919 1 366 . 2 2 33 33 MET HE3 H 1 1.867 0.02 . 1 . . . . 468 M HE1 . 15919 1 367 . 2 2 33 33 MET HG2 H 1 2.755 0.02 . 2 . . . . 468 M HG1 . 15919 1 368 . 2 2 33 33 MET HG3 H 1 2.827 0.02 . 2 . . . . 468 M HG2 . 15919 1 369 . 2 2 33 33 MET C C 13 176.101 0.05 . 1 . . . . 468 M C . 15919 1 370 . 2 2 33 33 MET CA C 13 54.478 0.05 . 1 . . . . 468 M CA . 15919 1 371 . 2 2 33 33 MET CB C 13 38.339 0.05 . 1 . . . . 468 M CB . 15919 1 372 . 2 2 33 33 MET CG C 13 32.424 0.05 . 1 . . . . 468 M CG . 15919 1 373 . 2 2 33 33 MET N N 15 121.726 0.05 . 1 . . . . 468 M N . 15919 1 374 . 2 2 34 34 THR H H 1 9.022 0.02 . 1 . . . . 469 T HN . 15919 1 375 . 2 2 34 34 THR HA H 1 4.712 0.02 . 1 . . . . 469 T HA . 15919 1 376 . 2 2 34 34 THR HB H 1 4.621 0.02 . 1 . . . . 469 T HB . 15919 1 377 . 2 2 34 34 THR HG21 H 1 0.454 0.02 . 1 . . . . 469 T HG21 . 15919 1 378 . 2 2 34 34 THR HG22 H 1 0.454 0.02 . 1 . . . . 469 T HG21 . 15919 1 379 . 2 2 34 34 THR HG23 H 1 0.454 0.02 . 1 . . . . 469 T HG21 . 15919 1 380 . 2 2 34 34 THR C C 13 175.761 0.05 . 1 . . . . 469 T C . 15919 1 381 . 2 2 34 34 THR CA C 13 60.245 0.05 . 1 . . . . 469 T CA . 15919 1 382 . 2 2 34 34 THR CB C 13 71.336 0.05 . 1 . . . . 469 T CB . 15919 1 383 . 2 2 34 34 THR CG2 C 13 20.582 0.05 . 1 . . . . 469 T CG2 . 15919 1 384 . 2 2 34 34 THR N N 15 113.730 0.05 . 1 . . . . 469 T N . 15919 1 385 . 2 2 35 35 THR H H 1 9.081 0.02 . 1 . . . . 470 T HN . 15919 1 386 . 2 2 35 35 THR HA H 1 3.806 0.02 . 1 . . . . 470 T HA . 15919 1 387 . 2 2 35 35 THR HB H 1 4.150 0.02 . 1 . . . . 470 T HB . 15919 1 388 . 2 2 35 35 THR HG21 H 1 1.215 0.02 . 1 . . . . 470 T HG21 . 15919 1 389 . 2 2 35 35 THR HG22 H 1 1.215 0.02 . 1 . . . . 470 T HG21 . 15919 1 390 . 2 2 35 35 THR HG23 H 1 1.215 0.02 . 1 . . . . 470 T HG21 . 15919 1 391 . 2 2 35 35 THR C C 13 176.410 0.05 . 1 . . . . 470 T C . 15919 1 392 . 2 2 35 35 THR CA C 13 67.716 0.05 . 1 . . . . 470 T CA . 15919 1 393 . 2 2 35 35 THR CB C 13 67.716 0.05 . 1 . . . . 470 T CB . 15919 1 394 . 2 2 35 35 THR CG2 C 13 23.183 0.05 . 1 . . . . 470 T CG2 . 15919 1 395 . 2 2 35 35 THR N N 15 115.677 0.05 . 1 . . . . 470 T N . 15919 1 396 . 2 2 36 36 LYS H H 1 8.030 0.02 . 1 . . . . 471 K HN . 15919 1 397 . 2 2 36 36 LYS HA H 1 3.842 0.02 . 1 . . . . 471 K HA . 15919 1 398 . 2 2 36 36 LYS HB2 H 1 1.668 0.02 . 2 . . . . 471 K HB1 . 15919 1 399 . 2 2 36 36 LYS HB3 H 1 1.750 0.02 . 2 . . . . 471 K HB2 . 15919 1 400 . 2 2 36 36 LYS HD2 H 1 1.777 0.02 . 2 . . . . 471 K HD1 . 15919 1 401 . 2 2 36 36 LYS HD3 H 1 1.777 0.02 . 2 . . . . 471 K HD2 . 15919 1 402 . 2 2 36 36 LYS HE2 H 1 2.918 0.02 . 2 . . . . 471 K HE1 . 15919 1 403 . 2 2 36 36 LYS HE3 H 1 2.918 0.02 . 2 . . . . 471 K HE2 . 15919 1 404 . 2 2 36 36 LYS HG2 H 1 1.342 0.02 . 2 . . . . 471 K HG1 . 15919 1 405 . 2 2 36 36 LYS HG3 H 1 1.414 0.02 . 2 . . . . 471 K HG2 . 15919 1 406 . 2 2 36 36 LYS C C 13 178.264 0.05 . 1 . . . . 471 K C . 15919 1 407 . 2 2 36 36 LYS CA C 13 59.858 0.05 . 1 . . . . 471 K CA . 15919 1 408 . 2 2 36 36 LYS CB C 13 32.383 0.05 . 1 . . . . 471 K CB . 15919 1 409 . 2 2 36 36 LYS CD C 13 29.229 0.05 . 1 . . . . 471 K CD . 15919 1 410 . 2 2 36 36 LYS CE C 13 42.011 0.05 . 1 . . . . 471 K CE . 15919 1 411 . 2 2 36 36 LYS CG C 13 25.281 0.05 . 1 . . . . 471 K CG . 15919 1 412 . 2 2 36 36 LYS N N 15 120.683 0.05 . 1 . . . . 471 K N . 15919 1 413 . 2 2 37 37 ASP H H 1 7.837 0.02 . 1 . . . . 472 D HN . 15919 1 414 . 2 2 37 37 ASP HA H 1 4.204 0.02 . 1 . . . . 472 D HA . 15919 1 415 . 2 2 37 37 ASP HB2 H 1 2.574 0.02 . 2 . . . . 472 D HB1 . 15919 1 416 . 2 2 37 37 ASP HB3 H 1 2.954 0.02 . 2 . . . . 472 D HB2 . 15919 1 417 . 2 2 37 37 ASP C C 13 179.284 0.05 . 1 . . . . 472 D C . 15919 1 418 . 2 2 37 37 ASP CA C 13 57.296 0.05 . 1 . . . . 472 D CA . 15919 1 419 . 2 2 37 37 ASP CB C 13 41.029 0.05 . 1 . . . . 472 D CB . 15919 1 420 . 2 2 37 37 ASP N N 15 119.250 0.05 . 1 . . . . 472 D N . 15919 1 421 . 2 2 38 38 LEU H H 1 8.032 0.02 . 1 . . . . 473 L HN . 15919 1 422 . 2 2 38 38 LEU HA H 1 3.842 0.02 . 1 . . . . 473 L HA . 15919 1 423 . 2 2 38 38 LEU HB2 H 1 1.559 0.02 . 2 . . . . 473 L HB1 . 15919 1 424 . 2 2 38 38 LEU HB3 H 1 1.994 0.02 . 2 . . . . 473 L HB2 . 15919 1 425 . 2 2 38 38 LEU HD11 H 1 0.979 0.02 . 2 . . . . 473 L HD11 . 15919 1 426 . 2 2 38 38 LEU HD12 H 1 0.979 0.02 . 2 . . . . 473 L HD11 . 15919 1 427 . 2 2 38 38 LEU HD13 H 1 0.979 0.02 . 2 . . . . 473 L HD11 . 15919 1 428 . 2 2 38 38 LEU HD21 H 1 0.979 0.02 . 2 . . . . 473 L HD21 . 15919 1 429 . 2 2 38 38 LEU HD22 H 1 0.979 0.02 . 2 . . . . 473 L HD21 . 15919 1 430 . 2 2 38 38 LEU HD23 H 1 0.979 0.02 . 2 . . . . 473 L HD21 . 15919 1 431 . 2 2 38 38 LEU HG H 1 1.795 0.02 . 1 . . . . 473 L HG . 15919 1 432 . 2 2 38 38 LEU C C 13 178.326 0.05 . 1 . . . . 473 L C . 15919 1 433 . 2 2 38 38 LEU CA C 13 57.936 0.05 . 1 . . . . 473 L CA . 15919 1 434 . 2 2 38 38 LEU CB C 13 42.950 0.05 . 1 . . . . 473 L CB . 15919 1 435 . 2 2 38 38 LEU CD1 C 13 25.469 0.05 . 1 . . . . 473 L CD1 . 15919 1 436 . 2 2 38 38 LEU CD2 C 13 24.905 0.05 . 1 . . . . 473 L CD2 . 15919 1 437 . 2 2 38 38 LEU CG C 13 27.349 0.05 . 1 . . . . 473 L CG . 15919 1 438 . 2 2 38 38 LEU N N 15 120.200 0.05 . 1 . . . . 473 L N . 15919 1 439 . 2 2 39 39 LEU H H 1 8.406 0.02 . 1 . . . . 474 L HN . 15919 1 440 . 2 2 39 39 LEU HA H 1 3.951 0.02 . 1 . . . . 474 L HA . 15919 1 441 . 2 2 39 39 LEU HB2 H 1 1.650 0.02 . 2 . . . . 474 L HB1 . 15919 1 442 . 2 2 39 39 LEU HB3 H 1 1.722 0.02 . 2 . . . . 474 L HB2 . 15919 1 443 . 2 2 39 39 LEU HD11 H 1 0.309 0.02 . 2 . . . . 474 L HD11 . 15919 1 444 . 2 2 39 39 LEU HD12 H 1 0.309 0.02 . 2 . . . . 474 L HD11 . 15919 1 445 . 2 2 39 39 LEU HD13 H 1 0.309 0.02 . 2 . . . . 474 L HD11 . 15919 1 446 . 2 2 39 39 LEU HD21 H 1 0.164 0.02 . 2 . . . . 474 L HD21 . 15919 1 447 . 2 2 39 39 LEU HD22 H 1 0.164 0.02 . 2 . . . . 474 L HD21 . 15919 1 448 . 2 2 39 39 LEU HD23 H 1 0.164 0.02 . 2 . . . . 474 L HD21 . 15919 1 449 . 2 2 39 39 LEU HG H 1 0.834 0.02 . 1 . . . . 474 L HG . 15919 1 450 . 2 2 39 39 LEU C C 13 179.621 0.05 . 1 . . . . 474 L C . 15919 1 451 . 2 2 39 39 LEU CA C 13 58.512 0.05 . 1 . . . . 474 L CA . 15919 1 452 . 2 2 39 39 LEU CB C 13 41.413 0.05 . 1 . . . . 474 L CB . 15919 1 453 . 2 2 39 39 LEU CD1 C 13 25.281 0.05 . 1 . . . . 474 L CD1 . 15919 1 454 . 2 2 39 39 LEU CD2 C 13 24.341 0.05 . 1 . . . . 474 L CD2 . 15919 1 455 . 2 2 39 39 LEU CG C 13 27.161 0.05 . 1 . . . . 474 L CG . 15919 1 456 . 2 2 39 39 LEU N N 15 119.213 0.05 . 1 . . . . 474 L N . 15919 1 457 . 2 2 40 40 LYS H H 1 7.722 0.02 . 1 . . . . 475 K HN . 15919 1 458 . 2 2 40 40 LYS HA H 1 4.005 0.02 . 1 . . . . 475 K HA . 15919 1 459 . 2 2 40 40 LYS HB2 H 1 1.849 0.02 . 2 . . . . 475 K HB1 . 15919 1 460 . 2 2 40 40 LYS HB3 H 1 1.849 0.02 . 2 . . . . 475 K HB2 . 15919 1 461 . 2 2 40 40 LYS HD2 H 1 1.650 0.02 . 2 . . . . 475 K HD1 . 15919 1 462 . 2 2 40 40 LYS HD3 H 1 1.650 0.02 . 2 . . . . 475 K HD2 . 15919 1 463 . 2 2 40 40 LYS HE2 H 1 2.918 0.02 . 2 . . . . 475 K HE1 . 15919 1 464 . 2 2 40 40 LYS HE3 H 1 2.918 0.02 . 2 . . . . 475 K HE2 . 15919 1 465 . 2 2 40 40 LYS HG2 H 1 1.420 0.02 . 2 . . . . 475 K HG1 . 15919 1 466 . 2 2 40 40 LYS HG3 H 1 1.550 0.02 . 2 . . . . 475 K HG2 . 15919 1 467 . 2 2 40 40 LYS C C 13 178.666 0.05 . 1 . . . . 475 K C . 15919 1 468 . 2 2 40 40 LYS CA C 13 58.512 0.05 . 1 . . . . 475 K CA . 15919 1 469 . 2 2 40 40 LYS CB C 13 32.383 0.05 . 1 . . . . 475 K CB . 15919 1 470 . 2 2 40 40 LYS CD C 13 29.417 0.05 . 1 . . . . 475 K CD . 15919 1 471 . 2 2 40 40 LYS CE C 13 42.011 0.05 . 1 . . . . 475 K CE . 15919 1 472 . 2 2 40 40 LYS CG C 13 25.469 0.05 . 1 . . . . 475 K CG . 15919 1 473 . 2 2 40 40 LYS N N 15 117.136 0.05 . 1 . . . . 475 K N . 15919 1 474 . 2 2 41 41 LYS H H 1 7.290 0.02 . 1 . . . . 476 K HN . 15919 1 475 . 2 2 41 41 LYS HA H 1 3.896 0.02 . 1 . . . . 476 K HA . 15919 1 476 . 2 2 41 41 LYS HB2 H 1 1.070 0.02 . 2 . . . . 476 K HB1 . 15919 1 477 . 2 2 41 41 LYS HB3 H 1 1.070 0.02 . 2 . . . . 476 K HB2 . 15919 1 478 . 2 2 41 41 LYS HD2 H 1 1.342 0.02 . 2 . . . . 476 K HD1 . 15919 1 479 . 2 2 41 41 LYS HD3 H 1 1.342 0.02 . 2 . . . . 476 K HD2 . 15919 1 480 . 2 2 41 41 LYS HE2 H 1 2.447 0.02 . 2 . . . . 476 K HE1 . 15919 1 481 . 2 2 41 41 LYS HE3 H 1 2.447 0.02 . 2 . . . . 476 K HE2 . 15919 1 482 . 2 2 41 41 LYS HG2 H 1 1.124 0.02 . 2 . . . . 476 K HG1 . 15919 1 483 . 2 2 41 41 LYS HG3 H 1 1.124 0.02 . 2 . . . . 476 K HG2 . 15919 1 484 . 2 2 41 41 LYS C C 13 177.244 0.05 . 1 . . . . 476 K C . 15919 1 485 . 2 2 41 41 LYS CA C 13 55.631 0.05 . 1 . . . . 476 K CA . 15919 1 486 . 2 2 41 41 LYS CB C 13 31.230 0.05 . 1 . . . . 476 K CB . 15919 1 487 . 2 2 41 41 LYS CD C 13 27.349 0.05 . 1 . . . . 476 K CD . 15919 1 488 . 2 2 41 41 LYS CE C 13 42.011 0.05 . 1 . . . . 476 K CE . 15919 1 489 . 2 2 41 41 LYS CG C 13 23.025 0.05 . 1 . . . . 476 K CG . 15919 1 490 . 2 2 41 41 LYS N N 15 115.602 0.05 . 1 . . . . 476 K N . 15919 1 491 . 2 2 42 42 PHE H H 1 7.514 0.02 . 1 . . . . 477 F HN . 15919 1 492 . 2 2 42 42 PHE HA H 1 4.657 0.02 . 1 . . . . 477 F HA . 15919 1 493 . 2 2 42 42 PHE HB2 H 1 2.628 0.02 . 2 . . . . 477 F HB1 . 15919 1 494 . 2 2 42 42 PHE HB3 H 1 3.190 0.02 . 2 . . . . 477 F HB2 . 15919 1 495 . 2 2 42 42 PHE HD1 H 1 7.110 0.02 . 3 . . . . 477 F HD1 . 15919 1 496 . 2 2 42 42 PHE HD2 H 1 7.110 0.02 . 3 . . . . 477 F HD2 . 15919 1 497 . 2 2 42 42 PHE HE1 H 1 7.280 0.02 . 3 . . . . 477 F HE1 . 15919 1 498 . 2 2 42 42 PHE HE2 H 1 7.280 0.02 . 3 . . . . 477 F HE2 . 15919 1 499 . 2 2 42 42 PHE HZ H 1 7.220 0.02 . 1 . . . . 477 F HZ . 15919 1 500 . 2 2 42 42 PHE C C 13 173.999 0.05 . 1 . . . . 477 F C . 15919 1 501 . 2 2 42 42 PHE CA C 13 57.116 0.05 . 1 . . . . 477 F CA . 15919 1 502 . 2 2 42 42 PHE CB C 13 39.300 0.05 . 1 . . . . 477 F CB . 15919 1 503 . 2 2 42 42 PHE N N 15 117.485 0.05 . 1 . . . . 477 F N . 15919 1 504 . 2 2 43 43 GLN H H 1 8.145 0.02 . 1 . . . . 478 Q HN . 15919 1 505 . 2 2 43 43 GLN HA H 1 4.368 0.02 . 1 . . . . 478 Q HA . 15919 1 506 . 2 2 43 43 GLN HB2 H 1 2.338 0.02 . 2 . . . . 478 Q HB1 . 15919 1 507 . 2 2 43 43 GLN HB3 H 1 2.338 0.02 . 2 . . . . 478 Q HB2 . 15919 1 508 . 2 2 43 43 GLN HE21 H 1 7.591 0.02 . 2 . . . . 478 Q HE21 . 15919 1 509 . 2 2 43 43 GLN HE22 H 1 6.968 0.02 . 2 . . . . 478 Q HE22 . 15919 1 510 . 2 2 43 43 GLN HG2 H 1 2.470 0.02 . 2 . . . . 478 Q HG1 . 15919 1 511 . 2 2 43 43 GLN HG3 H 1 2.470 0.02 . 2 . . . . 478 Q HG2 . 15919 1 512 . 2 2 43 43 GLN C C 13 176.101 0.05 . 1 . . . . 478 Q C . 15919 1 513 . 2 2 43 43 GLN CA C 13 55.992 0.05 . 1 . . . . 478 Q CA . 15919 1 514 . 2 2 43 43 GLN CB C 13 29.793 0.05 . 1 . . . . 478 Q CB . 15919 1 515 . 2 2 43 43 GLN CG C 13 33.928 0.05 . 1 . . . . 478 Q CG . 15919 1 516 . 2 2 43 43 GLN N N 15 121.332 0.05 . 1 . . . . 478 Q N . 15919 1 517 . 2 2 43 43 GLN NE2 N 15 112.242 0.05 . 1 . . . . 478 Q NE2 . 15919 1 518 . 2 2 44 44 THR H H 1 8.460 0.02 . 1 . . . . 479 T HN . 15919 1 519 . 2 2 44 44 THR HA H 1 4.204 0.02 . 1 . . . . 479 T HA . 15919 1 520 . 2 2 44 44 THR HB H 1 4.386 0.02 . 1 . . . . 479 T HB . 15919 1 521 . 2 2 44 44 THR HG21 H 1 1.179 0.02 . 1 . . . . 479 T HG21 . 15919 1 522 . 2 2 44 44 THR HG22 H 1 1.179 0.02 . 1 . . . . 479 T HG21 . 15919 1 523 . 2 2 44 44 THR HG23 H 1 1.179 0.02 . 1 . . . . 479 T HG21 . 15919 1 524 . 2 2 44 44 THR C C 13 173.769 0.05 . 1 . . . . 479 T C . 15919 1 525 . 2 2 44 44 THR CA C 13 61.971 0.05 . 1 . . . . 479 T CA . 15919 1 526 . 2 2 44 44 THR CB C 13 70.041 0.05 . 1 . . . . 479 T CB . 15919 1 527 . 2 2 44 44 THR CG2 C 13 21.710 0.05 . 1 . . . . 479 T CG2 . 15919 1 528 . 2 2 44 44 THR N N 15 117.622 0.05 . 1 . . . . 479 T N . 15919 1 529 . 2 2 45 45 LYS H H 1 8.354 0.02 . 1 . . . . 480 K HN . 15919 1 530 . 2 2 45 45 LYS HA H 1 4.241 0.02 . 1 . . . . 480 K HA . 15919 1 531 . 2 2 45 45 LYS HB2 H 1 1.849 0.02 . 2 . . . . 480 K HB1 . 15919 1 532 . 2 2 45 45 LYS HB3 H 1 1.849 0.02 . 2 . . . . 480 K HB2 . 15919 1 533 . 2 2 45 45 LYS HD2 H 1 1.668 0.02 . 2 . . . . 480 K HD1 . 15919 1 534 . 2 2 45 45 LYS HD3 H 1 1.668 0.02 . 2 . . . . 480 K HD2 . 15919 1 535 . 2 2 45 45 LYS HE2 H 1 2.972 0.02 . 2 . . . . 480 K HE1 . 15919 1 536 . 2 2 45 45 LYS HE3 H 1 2.972 0.02 . 2 . . . . 480 K HE2 . 15919 1 537 . 2 2 45 45 LYS HG2 H 1 1.432 0.02 . 2 . . . . 480 K HG1 . 15919 1 538 . 2 2 45 45 LYS HG3 H 1 1.432 0.02 . 2 . . . . 480 K HG2 . 15919 1 539 . 2 2 45 45 LYS C C 13 177.182 0.05 . 1 . . . . 480 K C . 15919 1 540 . 2 2 45 45 LYS CA C 13 57.744 0.05 . 1 . . . . 480 K CA . 15919 1 541 . 2 2 45 45 LYS CB C 13 32.575 0.05 . 1 . . . . 480 K CB . 15919 1 542 . 2 2 45 45 LYS CD C 13 29.229 0.05 . 1 . . . . 480 K CD . 15919 1 543 . 2 2 45 45 LYS CE C 13 42.011 0.05 . 1 . . . . 480 K CE . 15919 1 544 . 2 2 45 45 LYS CG C 13 24.905 0.05 . 1 . . . . 480 K CG . 15919 1 545 . 2 2 45 45 LYS N N 15 120.867 0.05 . 1 . . . . 480 K N . 15919 1 546 . 2 2 46 46 LYS H H 1 8.011 0.02 . 1 . . . . 481 K HN . 15919 1 547 . 2 2 46 46 LYS HA H 1 4.404 0.02 . 1 . . . . 481 K HA . 15919 1 548 . 2 2 46 46 LYS HB2 H 1 1.903 0.02 . 2 . . . . 481 K HB1 . 15919 1 549 . 2 2 46 46 LYS HB3 H 1 1.903 0.02 . 2 . . . . 481 K HB2 . 15919 1 550 . 2 2 46 46 LYS HD2 H 1 1.704 0.02 . 2 . . . . 481 K HD1 . 15919 1 551 . 2 2 46 46 LYS HD3 H 1 1.704 0.02 . 2 . . . . 481 K HD2 . 15919 1 552 . 2 2 46 46 LYS HE2 H 1 2.972 0.02 . 2 . . . . 481 K HE1 . 15919 1 553 . 2 2 46 46 LYS HE3 H 1 2.972 0.02 . 2 . . . . 481 K HE2 . 15919 1 554 . 2 2 46 46 LYS HG2 H 1 1.450 0.02 . 2 . . . . 481 K HG1 . 15919 1 555 . 2 2 46 46 LYS HG3 H 1 1.450 0.02 . 2 . . . . 481 K HG2 . 15919 1 556 . 2 2 46 46 LYS C C 13 177.275 0.05 . 1 . . . . 481 K C . 15919 1 557 . 2 2 46 46 LYS CA C 13 56.976 0.05 . 1 . . . . 481 K CA . 15919 1 558 . 2 2 46 46 LYS CB C 13 32.959 0.05 . 1 . . . . 481 K CB . 15919 1 559 . 2 2 46 46 LYS CD C 13 29.041 0.05 . 1 . . . . 481 K CD . 15919 1 560 . 2 2 46 46 LYS CE C 13 42.199 0.05 . 1 . . . . 481 K CE . 15919 1 561 . 2 2 46 46 LYS CG C 13 25.469 0.05 . 1 . . . . 481 K CG . 15919 1 562 . 2 2 46 46 LYS N N 15 118.180 0.05 . 1 . . . . 481 K N . 15919 1 563 . 2 2 47 47 THR H H 1 8.083 0.02 . 1 . . . . 482 T HN . 15919 1 564 . 2 2 47 47 THR HA H 1 4.476 0.02 . 1 . . . . 482 T HA . 15919 1 565 . 2 2 47 47 THR HB H 1 4.295 0.02 . 1 . . . . 482 T HB . 15919 1 566 . 2 2 47 47 THR HG21 H 1 1.233 0.02 . 1 . . . . 482 T HG21 . 15919 1 567 . 2 2 47 47 THR HG22 H 1 1.233 0.02 . 1 . . . . 482 T HG21 . 15919 1 568 . 2 2 47 47 THR HG23 H 1 1.233 0.02 . 1 . . . . 482 T HG21 . 15919 1 569 . 2 2 47 47 THR C C 13 176.564 0.05 . 1 . . . . 482 T C . 15919 1 570 . 2 2 47 47 THR CA C 13 61.971 0.05 . 1 . . . . 482 T CA . 15919 1 571 . 2 2 47 47 THR CB C 13 70.233 0.05 . 1 . . . . 482 T CB . 15919 1 572 . 2 2 47 47 THR CG2 C 13 20.958 0.05 . 1 . . . . 482 T CG2 . 15919 1 573 . 2 2 47 47 THR N N 15 110.462 0.05 . 1 . . . . 482 T N . 15919 1 574 . 2 2 48 48 GLY H H 1 8.462 0.02 . 1 . . . . 483 G HN . 15919 1 575 . 2 2 48 48 GLY HA2 H 1 3.806 0.02 . 2 . . . . 483 G HA1 . 15919 1 576 . 2 2 48 48 GLY HA3 H 1 4.132 0.02 . 2 . . . . 483 G HA2 . 15919 1 577 . 2 2 48 48 GLY C C 13 173.968 0.05 . 1 . . . . 483 G C . 15919 1 578 . 2 2 48 48 GLY CA C 13 45.551 0.05 . 1 . . . . 483 G CA . 15919 1 579 . 2 2 48 48 GLY N N 15 110.532 0.05 . 1 . . . . 483 G N . 15919 1 580 . 2 2 49 49 LEU H H 1 8.070 0.02 . 1 . . . . 484 L HN . 15919 1 581 . 2 2 49 49 LEU HA H 1 4.567 0.02 . 1 . . . . 484 L HA . 15919 1 582 . 2 2 49 49 LEU HB2 H 1 1.492 0.02 . 2 . . . . 484 L HB1 . 15919 1 583 . 2 2 49 49 LEU HB3 H 1 1.658 0.02 . 2 . . . . 484 L HB2 . 15919 1 584 . 2 2 49 49 LEU HD11 H 1 0.780 0.02 . 2 . . . . 484 L HD11 . 15919 1 585 . 2 2 49 49 LEU HD12 H 1 0.780 0.02 . 2 . . . . 484 L HD11 . 15919 1 586 . 2 2 49 49 LEU HD13 H 1 0.780 0.02 . 2 . . . . 484 L HD11 . 15919 1 587 . 2 2 49 49 LEU HD21 H 1 0.780 0.02 . 2 . . . . 484 L HD21 . 15919 1 588 . 2 2 49 49 LEU HD22 H 1 0.780 0.02 . 2 . . . . 484 L HD21 . 15919 1 589 . 2 2 49 49 LEU HD23 H 1 0.780 0.02 . 2 . . . . 484 L HD21 . 15919 1 590 . 2 2 49 49 LEU HG H 1 1.487 0.02 . 1 . . . . 484 L HG . 15919 1 591 . 2 2 49 49 LEU C C 13 177.430 0.05 . 1 . . . . 484 L C . 15919 1 592 . 2 2 49 49 LEU CA C 13 53.902 0.05 . 1 . . . . 484 L CA . 15919 1 593 . 2 2 49 49 LEU CB C 13 43.719 0.05 . 1 . . . . 484 L CB . 15919 1 594 . 2 2 49 49 LEU CD1 C 13 25.281 0.05 . 1 . . . . 484 L CD1 . 15919 1 595 . 2 2 49 49 LEU CD2 C 13 23.025 0.05 . 1 . . . . 484 L CD2 . 15919 1 596 . 2 2 49 49 LEU CG C 13 26.973 0.05 . 1 . . . . 484 L CG . 15919 1 597 . 2 2 49 49 LEU N N 15 121.310 0.05 . 1 . . . . 484 L N . 15919 1 598 . 2 2 50 50 SER H H 1 8.711 0.02 . 1 . . . . 485 S HN . 15919 1 599 . 2 2 50 50 SER HA H 1 4.620 0.02 . 1 . . . . 485 S HA . 15919 1 600 . 2 2 50 50 SER HB2 H 1 4.050 0.02 . 2 . . . . 485 S HB1 . 15919 1 601 . 2 2 50 50 SER HB3 H 1 4.349 0.02 . 2 . . . . 485 S HB2 . 15919 1 602 . 2 2 50 50 SER C C 13 176.873 0.05 . 1 . . . . 485 S C . 15919 1 603 . 2 2 50 50 SER CA C 13 57.360 0.05 . 1 . . . . 485 S CA . 15919 1 604 . 2 2 50 50 SER CB C 13 65.045 0.05 . 1 . . . . 485 S CB . 15919 1 605 . 2 2 50 50 SER N N 15 116.720 0.05 . 1 . . . . 485 S N . 15919 1 606 . 2 2 51 51 SER H H 1 9.345 0.02 . 1 . . . . 486 S HN . 15919 1 607 . 2 2 51 51 SER HA H 1 4.150 0.02 . 1 . . . . 486 S HA . 15919 1 608 . 2 2 51 51 SER HB2 H 1 3.896 0.02 . 2 . . . . 486 S HB1 . 15919 1 609 . 2 2 51 51 SER HB3 H 1 3.896 0.02 . 2 . . . . 486 S HB2 . 15919 1 610 . 2 2 51 51 SER C C 13 176.008 0.05 . 1 . . . . 486 S C . 15919 1 611 . 2 2 51 51 SER CA C 13 62.547 0.05 . 1 . . . . 486 S CA . 15919 1 612 . 2 2 51 51 SER CB C 13 62.547 0.05 . 1 . . . . 486 S CB . 15919 1 613 . 2 2 51 51 SER N N 15 121.339 0.05 . 1 . . . . 486 S N . 15919 1 614 . 2 2 52 52 GLU H H 1 8.668 0.02 . 1 . . . . 487 E HN . 15919 1 615 . 2 2 52 52 GLU HA H 1 3.896 0.02 . 1 . . . . 487 E HA . 15919 1 616 . 2 2 52 52 GLU HB2 H 1 1.921 0.02 . 2 . . . . 487 E HB1 . 15919 1 617 . 2 2 52 52 GLU HB3 H 1 1.994 0.02 . 2 . . . . 487 E HB2 . 15919 1 618 . 2 2 52 52 GLU HG2 H 1 2.248 0.02 . 2 . . . . 487 E HG1 . 15919 1 619 . 2 2 52 52 GLU HG3 H 1 2.248 0.02 . 2 . . . . 487 E HG2 . 15919 1 620 . 2 2 52 52 GLU C C 13 178.728 0.05 . 1 . . . . 487 E C . 15919 1 621 . 2 2 52 52 GLU CA C 13 59.857 0.05 . 1 . . . . 487 E CA . 15919 1 622 . 2 2 52 52 GLU CB C 13 29.501 0.05 . 1 . . . . 487 E CB . 15919 1 623 . 2 2 52 52 GLU CG C 13 36.560 0.05 . 1 . . . . 487 E CG . 15919 1 624 . 2 2 52 52 GLU N N 15 121.379 0.05 . 1 . . . . 487 E N . 15919 1 625 . 2 2 53 53 GLN H H 1 7.946 0.02 . 1 . . . . 488 Q HN . 15919 1 626 . 2 2 53 53 GLN HA H 1 4.096 0.02 . 1 . . . . 488 Q HA . 15919 1 627 . 2 2 53 53 GLN HB2 H 1 2.229 0.02 . 2 . . . . 488 Q HB1 . 15919 1 628 . 2 2 53 53 GLN HB3 H 1 2.012 0.02 . 2 . . . . 488 Q HB2 . 15919 1 629 . 2 2 53 53 GLN HE21 H 1 7.494 0.02 . 2 . . . . 488 Q HE21 . 15919 1 630 . 2 2 53 53 GLN HE22 H 1 6.866 0.02 . 2 . . . . 488 Q HE22 . 15919 1 631 . 2 2 53 53 GLN HG2 H 1 2.429 0.02 . 2 . . . . 488 Q HG1 . 15919 1 632 . 2 2 53 53 GLN HG3 H 1 2.429 0.02 . 2 . . . . 488 Q HG2 . 15919 1 633 . 2 2 53 53 GLN C C 13 178.573 0.05 . 1 . . . . 488 Q C . 15919 1 634 . 2 2 53 53 GLN CA C 13 58.512 0.05 . 1 . . . . 488 Q CA . 15919 1 635 . 2 2 53 53 GLN CB C 13 29.309 0.05 . 1 . . . . 488 Q CB . 15919 1 636 . 2 2 53 53 GLN CG C 13 34.304 0.05 . 1 . . . . 488 Q CG . 15919 1 637 . 2 2 53 53 GLN N N 15 118.458 0.05 . 1 . . . . 488 Q N . 15919 1 638 . 2 2 53 53 GLN NE2 N 15 111.775 0.05 . 1 . . . . 488 Q NE2 . 15919 1 639 . 2 2 54 54 THR H H 1 8.279 0.02 . 1 . . . . 489 T HN . 15919 1 640 . 2 2 54 54 THR HA H 1 3.661 0.02 . 1 . . . . 489 T HA . 15919 1 641 . 2 2 54 54 THR HB H 1 4.476 0.02 . 1 . . . . 489 T HB . 15919 1 642 . 2 2 54 54 THR HG21 H 1 1.124 0.02 . 1 . . . . 489 T HG21 . 15919 1 643 . 2 2 54 54 THR HG22 H 1 1.124 0.02 . 1 . . . . 489 T HG21 . 15919 1 644 . 2 2 54 54 THR HG23 H 1 1.124 0.02 . 1 . . . . 489 T HG21 . 15919 1 645 . 2 2 54 54 THR C C 13 179.315 0.05 . 1 . . . . 489 T C . 15919 1 646 . 2 2 54 54 THR CA C 13 67.159 0.05 . 1 . . . . 489 T CA . 15919 1 647 . 2 2 54 54 THR CB C 13 68.696 0.05 . 1 . . . . 489 T CB . 15919 1 648 . 2 2 54 54 THR CG2 C 13 20.690 0.05 . 1 . . . . 489 T CG2 . 15919 1 649 . 2 2 54 54 THR N N 15 116.919 0.05 . 1 . . . . 489 T N . 15919 1 650 . 2 2 55 55 VAL H H 1 8.053 0.02 . 1 . . . . 490 V HN . 15919 1 651 . 2 2 55 55 VAL HA H 1 3.498 0.02 . 1 . . . . 490 V HA . 15919 1 652 . 2 2 55 55 VAL HB H 1 2.121 0.02 . 1 . . . . 490 V HB . 15919 1 653 . 2 2 55 55 VAL HG11 H 1 0.943 0.02 . 2 . . . . 490 V HG11 . 15919 1 654 . 2 2 55 55 VAL HG12 H 1 0.943 0.02 . 2 . . . . 490 V HG11 . 15919 1 655 . 2 2 55 55 VAL HG13 H 1 0.943 0.02 . 2 . . . . 490 V HG11 . 15919 1 656 . 2 2 55 55 VAL HG21 H 1 1.016 0.02 . 2 . . . . 490 V HG21 . 15919 1 657 . 2 2 55 55 VAL HG22 H 1 1.016 0.02 . 2 . . . . 490 V HG21 . 15919 1 658 . 2 2 55 55 VAL HG23 H 1 1.016 0.02 . 2 . . . . 490 V HG21 . 15919 1 659 . 2 2 55 55 VAL C C 13 177.151 0.05 . 1 . . . . 490 V C . 15919 1 660 . 2 2 55 55 VAL CA C 13 67.159 0.05 . 1 . . . . 490 V CA . 15919 1 661 . 2 2 55 55 VAL CB C 13 31.614 0.05 . 1 . . . . 490 V CB . 15919 1 662 . 2 2 55 55 VAL CG1 C 13 23.401 0.05 . 1 . . . . 490 V CG1 . 15919 1 663 . 2 2 55 55 VAL CG2 C 13 21.522 0.05 . 1 . . . . 490 V CG2 . 15919 1 664 . 2 2 55 55 VAL N N 15 119.933 0.05 . 1 . . . . 490 V N . 15919 1 665 . 2 2 56 56 ASN H H 1 7.636 0.02 . 1 . . . . 491 N HN . 15919 1 666 . 2 2 56 56 ASN HA H 1 4.440 0.02 . 1 . . . . 491 N HA . 15919 1 667 . 2 2 56 56 ASN HB2 H 1 2.719 0.02 . 2 . . . . 491 N HB1 . 15919 1 668 . 2 2 56 56 ASN HB3 H 1 2.827 0.02 . 2 . . . . 491 N HB2 . 15919 1 669 . 2 2 56 56 ASN HD21 H 1 7.523 0.02 . 2 . . . . 491 N HD21 . 15919 1 670 . 2 2 56 56 ASN HD22 H 1 6.968 0.02 . 2 . . . . 491 N HD22 . 15919 1 671 . 2 2 56 56 ASN C C 13 178.079 0.05 . 1 . . . . 491 N C . 15919 1 672 . 2 2 56 56 ASN CA C 13 56.730 0.05 . 1 . . . . 491 N CA . 15919 1 673 . 2 2 56 56 ASN CB C 13 38.613 0.05 . 1 . . . . 491 N CB . 15919 1 674 . 2 2 56 56 ASN N N 15 118.193 0.05 . 1 . . . . 491 N N . 15919 1 675 . 2 2 56 56 ASN ND2 N 15 112.449 0.05 . 1 . . . . 491 N ND2 . 15919 1 676 . 2 2 57 57 VAL H H 1 8.187 0.02 . 1 . . . . 492 V HN . 15919 1 677 . 2 2 57 57 VAL HA H 1 3.715 0.02 . 1 . . . . 492 V HA . 15919 1 678 . 2 2 57 57 VAL HB H 1 1.994 0.02 . 1 . . . . 492 V HB . 15919 1 679 . 2 2 57 57 VAL HG11 H 1 0.889 0.02 . 2 . . . . 492 V HG11 . 15919 1 680 . 2 2 57 57 VAL HG12 H 1 0.889 0.02 . 2 . . . . 492 V HG11 . 15919 1 681 . 2 2 57 57 VAL HG13 H 1 0.889 0.02 . 2 . . . . 492 V HG11 . 15919 1 682 . 2 2 57 57 VAL HG21 H 1 1.034 0.02 . 2 . . . . 492 V HG21 . 15919 1 683 . 2 2 57 57 VAL HG22 H 1 1.034 0.02 . 2 . . . . 492 V HG21 . 15919 1 684 . 2 2 57 57 VAL HG23 H 1 1.034 0.02 . 2 . . . . 492 V HG21 . 15919 1 685 . 2 2 57 57 VAL C C 13 178.233 0.05 . 1 . . . . 492 V C . 15919 1 686 . 2 2 57 57 VAL CA C 13 66.006 0.05 . 1 . . . . 492 V CA . 15919 1 687 . 2 2 57 57 VAL CB C 13 31.806 0.05 . 1 . . . . 492 V CB . 15919 1 688 . 2 2 57 57 VAL CG1 C 13 21.309 0.05 . 1 . . . . 492 V CG1 . 15919 1 689 . 2 2 57 57 VAL CG2 C 13 22.808 0.05 . 1 . . . . 492 V CG2 . 15919 1 690 . 2 2 57 57 VAL N N 15 120.724 0.05 . 1 . . . . 492 V N . 15919 1 691 . 2 2 58 58 LEU H H 1 8.429 0.02 . 1 . . . . 493 L HN . 15919 1 692 . 2 2 58 58 LEU HA H 1 3.770 0.02 . 1 . . . . 493 L HA . 15919 1 693 . 2 2 58 58 LEU HB2 H 1 1.479 0.02 . 2 . . . . 493 L HB1 . 15919 1 694 . 2 2 58 58 LEU HB3 H 1 1.790 0.02 . 2 . . . . 493 L HB2 . 15919 1 695 . 2 2 58 58 LEU HD11 H 1 0.693 0.02 . 2 . . . . 493 L HD11 . 15919 1 696 . 2 2 58 58 LEU HD12 H 1 0.693 0.02 . 2 . . . . 493 L HD11 . 15919 1 697 . 2 2 58 58 LEU HD13 H 1 0.693 0.02 . 2 . . . . 493 L HD11 . 15919 1 698 . 2 2 58 58 LEU HD21 H 1 0.773 0.02 . 2 . . . . 493 L HD21 . 15919 1 699 . 2 2 58 58 LEU HD22 H 1 0.773 0.02 . 2 . . . . 493 L HD21 . 15919 1 700 . 2 2 58 58 LEU HD23 H 1 0.773 0.02 . 2 . . . . 493 L HD21 . 15919 1 701 . 2 2 58 58 LEU HG H 1 1.040 0.02 . 1 . . . . 493 L HG . 15919 1 702 . 2 2 58 58 LEU C C 13 178.326 0.05 . 1 . . . . 493 L C . 15919 1 703 . 2 2 58 58 LEU CA C 13 57.936 0.05 . 1 . . . . 493 L CA . 15919 1 704 . 2 2 58 58 LEU CB C 13 41.989 0.05 . 1 . . . . 493 L CB . 15919 1 705 . 2 2 58 58 LEU CD1 C 13 25.244 0.05 . 1 . . . . 493 L CD1 . 15919 1 706 . 2 2 58 58 LEU CD2 C 13 25.244 0.05 . 1 . . . . 493 L CD2 . 15919 1 707 . 2 2 58 58 LEU CG C 13 27.306 0.05 . 1 . . . . 493 L CG . 15919 1 708 . 2 2 58 58 LEU N N 15 120.417 0.05 . 1 . . . . 493 L N . 15919 1 709 . 2 2 59 59 ALA H H 1 8.444 0.02 . 1 . . . . 494 A HN . 15919 1 710 . 2 2 59 59 ALA HA H 1 3.842 0.02 . 1 . . . . 494 A HA . 15919 1 711 . 2 2 59 59 ALA HB1 H 1 1.487 0.02 . 1 . . . . 494 A HB1 . 15919 1 712 . 2 2 59 59 ALA HB2 H 1 1.487 0.02 . 1 . . . . 494 A HB1 . 15919 1 713 . 2 2 59 59 ALA HB3 H 1 1.487 0.02 . 1 . . . . 494 A HB1 . 15919 1 714 . 2 2 59 59 ALA C C 13 180.118 0.05 . 1 . . . . 494 A C . 15919 1 715 . 2 2 59 59 ALA CA C 13 55.631 0.05 . 1 . . . . 494 A CA . 15919 1 716 . 2 2 59 59 ALA CB C 13 18.357 0.05 . 1 . . . . 494 A CB . 15919 1 717 . 2 2 59 59 ALA N N 15 120.228 0.05 . 1 . . . . 494 A N . 15919 1 718 . 2 2 60 60 GLN H H 1 7.459 0.02 . 1 . . . . 495 Q HN . 15919 1 719 . 2 2 60 60 GLN HA H 1 3.969 0.02 . 1 . . . . 495 Q HA . 15919 1 720 . 2 2 60 60 GLN HB2 H 1 2.157 0.02 . 2 . . . . 495 Q HB1 . 15919 1 721 . 2 2 60 60 GLN HB3 H 1 2.266 0.02 . 2 . . . . 495 Q HB2 . 15919 1 722 . 2 2 60 60 GLN HE21 H 1 7.344 0.02 . 2 . . . . 495 Q HE21 . 15919 1 723 . 2 2 60 60 GLN HE22 H 1 6.860 0.02 . 2 . . . . 495 Q HE22 . 15919 1 724 . 2 2 60 60 GLN HG2 H 1 2.429 0.02 . 2 . . . . 495 Q HG1 . 15919 1 725 . 2 2 60 60 GLN HG3 H 1 2.556 0.02 . 2 . . . . 495 Q HG2 . 15919 1 726 . 2 2 60 60 GLN C C 13 180.087 0.05 . 1 . . . . 495 Q C . 15919 1 727 . 2 2 60 60 GLN CA C 13 58.657 0.05 . 1 . . . . 495 Q CA . 15919 1 728 . 2 2 60 60 GLN CB C 13 28.397 0.05 . 1 . . . . 495 Q CB . 15919 1 729 . 2 2 60 60 GLN CG C 13 33.677 0.05 . 1 . . . . 495 Q CG . 15919 1 730 . 2 2 60 60 GLN N N 15 116.423 0.05 . 1 . . . . 495 Q N . 15919 1 731 . 2 2 60 60 GLN NE2 N 15 111.876 0.05 . 1 . . . . 495 Q NE2 . 15919 1 732 . 2 2 61 61 ILE H H 1 8.061 0.02 . 1 . . . . 496 I HN . 15919 1 733 . 2 2 61 61 ILE HA H 1 3.552 0.02 . 1 . . . . 496 I HA . 15919 1 734 . 2 2 61 61 ILE HB H 1 1.777 0.02 . 1 . . . . 496 I HB . 15919 1 735 . 2 2 61 61 ILE HD11 H 1 0.508 0.02 . 1 . . . . 496 I HD11 . 15919 1 736 . 2 2 61 61 ILE HD12 H 1 0.508 0.02 . 1 . . . . 496 I HD11 . 15919 1 737 . 2 2 61 61 ILE HD13 H 1 0.508 0.02 . 1 . . . . 496 I HD11 . 15919 1 738 . 2 2 61 61 ILE HG12 H 1 0.852 0.02 . 1 . . . . 496 I HG11 . 15919 1 739 . 2 2 61 61 ILE HG13 H 1 1.831 0.02 . 1 . . . . 496 I HG12 . 15919 1 740 . 2 2 61 61 ILE HG21 H 1 0.762 0.02 . 1 . . . . 496 I HG21 . 15919 1 741 . 2 2 61 61 ILE HG22 H 1 0.762 0.02 . 1 . . . . 496 I HG21 . 15919 1 742 . 2 2 61 61 ILE HG23 H 1 0.762 0.02 . 1 . . . . 496 I HG21 . 15919 1 743 . 2 2 61 61 ILE C C 13 178.079 0.05 . 1 . . . . 496 I C . 15919 1 744 . 2 2 61 61 ILE CA C 13 65.237 0.05 . 1 . . . . 496 I CA . 15919 1 745 . 2 2 61 61 ILE CB C 13 38.531 0.05 . 1 . . . . 496 I CB . 15919 1 746 . 2 2 61 61 ILE CD1 C 13 14.191 0.05 . 1 . . . . 496 I CD1 . 15919 1 747 . 2 2 61 61 ILE CG1 C 13 29.793 0.05 . 1 . . . . 496 I CG1 . 15919 1 748 . 2 2 61 61 ILE CG2 C 13 18.326 0.05 . 1 . . . . 496 I CG2 . 15919 1 749 . 2 2 61 61 ILE N N 15 120.906 0.05 . 1 . . . . 496 I N . 15919 1 750 . 2 2 62 62 LEU H H 1 8.825 0.02 . 1 . . . . 497 L HN . 15919 1 751 . 2 2 62 62 LEU HA H 1 3.661 0.02 . 1 . . . . 497 L HA . 15919 1 752 . 2 2 62 62 LEU HB2 H 1 0.925 0.02 . 2 . . . . 497 L HB1 . 15919 1 753 . 2 2 62 62 LEU HB3 H 1 1.740 0.02 . 2 . . . . 497 L HB2 . 15919 1 754 . 2 2 62 62 LEU HD11 H 1 0.255 0.02 . 2 . . . . 497 L HD11 . 15919 1 755 . 2 2 62 62 LEU HD12 H 1 0.255 0.02 . 2 . . . . 497 L HD11 . 15919 1 756 . 2 2 62 62 LEU HD13 H 1 0.255 0.02 . 2 . . . . 497 L HD11 . 15919 1 757 . 2 2 62 62 LEU HD21 H 1 0.345 0.02 . 2 . . . . 497 L HD21 . 15919 1 758 . 2 2 62 62 LEU HD22 H 1 0.345 0.02 . 2 . . . . 497 L HD21 . 15919 1 759 . 2 2 62 62 LEU HD23 H 1 0.345 0.02 . 2 . . . . 497 L HD21 . 15919 1 760 . 2 2 62 62 LEU HG H 1 1.541 0.02 . 1 . . . . 497 L HG . 15919 1 761 . 2 2 62 62 LEU C C 13 179.346 0.05 . 1 . . . . 497 L C . 15919 1 762 . 2 2 62 62 LEU CA C 13 58.321 0.05 . 1 . . . . 497 L CA . 15919 1 763 . 2 2 62 62 LEU CB C 13 41.221 0.05 . 1 . . . . 497 L CB . 15919 1 764 . 2 2 62 62 LEU CD1 C 13 25.509 0.05 . 1 . . . . 497 L CD1 . 15919 1 765 . 2 2 62 62 LEU CD2 C 13 22.813 0.05 . 1 . . . . 497 L CD2 . 15919 1 766 . 2 2 62 62 LEU CG C 13 27.306 0.05 . 1 . . . . 497 L CG . 15919 1 767 . 2 2 62 62 LEU N N 15 119.412 0.05 . 1 . . . . 497 L N . 15919 1 768 . 2 2 63 63 LYS H H 1 7.750 0.02 . 1 . . . . 498 K HN . 15919 1 769 . 2 2 63 63 LYS HA H 1 3.987 0.02 . 1 . . . . 498 K HA . 15919 1 770 . 2 2 63 63 LYS HB2 H 1 1.849 0.02 . 2 . . . . 498 K HB1 . 15919 1 771 . 2 2 63 63 LYS HB3 H 1 1.849 0.02 . 2 . . . . 498 K HB2 . 15919 1 772 . 2 2 63 63 LYS HD2 H 1 1.450 0.02 . 2 . . . . 498 K HD1 . 15919 1 773 . 2 2 63 63 LYS HD3 H 1 1.450 0.02 . 2 . . . . 498 K HD2 . 15919 1 774 . 2 2 63 63 LYS HE2 H 1 2.954 0.02 . 2 . . . . 498 K HE1 . 15919 1 775 . 2 2 63 63 LYS HE3 H 1 2.954 0.02 . 2 . . . . 498 K HE2 . 15919 1 776 . 2 2 63 63 LYS HG2 H 1 1.668 0.02 . 2 . . . . 498 K HG1 . 15919 1 777 . 2 2 63 63 LYS HG3 H 1 1.668 0.02 . 2 . . . . 498 K HG2 . 15919 1 778 . 2 2 63 63 LYS C C 13 178.820 0.05 . 1 . . . . 498 K C . 15919 1 779 . 2 2 63 63 LYS CA C 13 59.281 0.05 . 1 . . . . 498 K CA . 15919 1 780 . 2 2 63 63 LYS CB C 13 32.383 0.05 . 1 . . . . 498 K CB . 15919 1 781 . 2 2 63 63 LYS CD C 13 29.229 0.05 . 1 . . . . 498 K CD . 15919 1 782 . 2 2 63 63 LYS CE C 13 42.199 0.05 . 1 . . . . 498 K CE . 15919 1 783 . 2 2 63 63 LYS CG C 13 25.093 0.05 . 1 . . . . 498 K CG . 15919 1 784 . 2 2 63 63 LYS N N 15 118.601 0.05 . 1 . . . . 498 K N . 15919 1 785 . 2 2 64 64 ARG H H 1 7.361 0.02 . 1 . . . . 499 R HN . 15919 1 786 . 2 2 64 64 ARG HA H 1 4.078 0.02 . 1 . . . . 499 R HA . 15919 1 787 . 2 2 64 64 ARG HB2 H 1 1.903 0.02 . 2 . . . . 499 R HB1 . 15919 1 788 . 2 2 64 64 ARG HB3 H 1 1.903 0.02 . 2 . . . . 499 R HB2 . 15919 1 789 . 2 2 64 64 ARG HD2 H 1 3.190 0.02 . 2 . . . . 499 R HD1 . 15919 1 790 . 2 2 64 64 ARG HD3 H 1 3.190 0.02 . 2 . . . . 499 R HD2 . 15919 1 791 . 2 2 64 64 ARG HG2 H 1 1.613 0.02 . 2 . . . . 499 R HG1 . 15919 1 792 . 2 2 64 64 ARG HG3 H 1 1.740 0.02 . 2 . . . . 499 R HG2 . 15919 1 793 . 2 2 64 64 ARG C C 13 178.480 0.05 . 1 . . . . 499 R C . 15919 1 794 . 2 2 64 64 ARG CA C 13 58.705 0.05 . 1 . . . . 499 R CA . 15919 1 795 . 2 2 64 64 ARG CB C 13 30.654 0.05 . 1 . . . . 499 R CB . 15919 1 796 . 2 2 64 64 ARG CD C 13 43.515 0.05 . 1 . . . . 499 R CD . 15919 1 797 . 2 2 64 64 ARG CG C 13 27.725 0.05 . 1 . . . . 499 R CG . 15919 1 798 . 2 2 64 64 ARG N N 15 117.873 0.05 . 1 . . . . 499 R N . 15919 1 799 . 2 2 65 65 LEU H H 1 8.195 0.02 . 1 . . . . 500 L HN . 15919 1 800 . 2 2 65 65 LEU HA H 1 4.041 0.02 . 1 . . . . 500 L HA . 15919 1 801 . 2 2 65 65 LEU HB2 H 1 1.342 0.02 . 2 . . . . 500 L HB1 . 15919 1 802 . 2 2 65 65 LEU HB3 H 1 1.613 0.02 . 2 . . . . 500 L HB2 . 15919 1 803 . 2 2 65 65 LEU HD11 H 1 0.689 0.02 . 2 . . . . 500 L HD11 . 15919 1 804 . 2 2 65 65 LEU HD12 H 1 0.689 0.02 . 2 . . . . 500 L HD11 . 15919 1 805 . 2 2 65 65 LEU HD13 H 1 0.689 0.02 . 2 . . . . 500 L HD11 . 15919 1 806 . 2 2 65 65 LEU HD21 H 1 0.798 0.02 . 2 . . . . 500 L HD21 . 15919 1 807 . 2 2 65 65 LEU HD22 H 1 0.798 0.02 . 2 . . . . 500 L HD21 . 15919 1 808 . 2 2 65 65 LEU HD23 H 1 0.798 0.02 . 2 . . . . 500 L HD21 . 15919 1 809 . 2 2 65 65 LEU HG H 1 1.831 0.02 . 1 . . . . 500 L HG . 15919 1 810 . 2 2 65 65 LEU C C 13 176.564 0.05 . 1 . . . . 500 L C . 15919 1 811 . 2 2 65 65 LEU CA C 13 56.207 0.05 . 1 . . . . 500 L CA . 15919 1 812 . 2 2 65 65 LEU CB C 13 43.526 0.05 . 1 . . . . 500 L CB . 15919 1 813 . 2 2 65 65 LEU CD1 C 13 26.409 0.05 . 1 . . . . 500 L CD1 . 15919 1 814 . 2 2 65 65 LEU CD2 C 13 22.837 0.05 . 1 . . . . 500 L CD2 . 15919 1 815 . 2 2 65 65 LEU CG C 13 26.409 0.05 . 1 . . . . 500 L CG . 15919 1 816 . 2 2 65 65 LEU N N 15 117.348 0.05 . 1 . . . . 500 L N . 15919 1 817 . 2 2 66 66 ASN H H 1 7.920 0.02 . 1 . . . . 501 N HN . 15919 1 818 . 2 2 66 66 ASN HA H 1 4.470 0.02 . 1 . . . . 501 N HA . 15919 1 819 . 2 2 66 66 ASN HB2 H 1 2.430 0.02 . 2 . . . . 501 N HB1 . 15919 1 820 . 2 2 66 66 ASN HB3 H 1 3.250 0.02 . 2 . . . . 501 N HB2 . 15919 1 821 . 2 2 66 66 ASN HD21 H 1 7.551 0.02 . 2 . . . . 501 N HD21 . 15919 1 822 . 2 2 66 66 ASN HD22 H 1 6.740 0.02 . 2 . . . . 501 N HD22 . 15919 1 823 . 2 2 66 66 ASN CA C 13 53.325 0.05 . 1 . . . . 501 N CA . 15919 1 824 . 2 2 66 66 ASN CB C 13 38.147 0.05 . 1 . . . . 501 N CB . 15919 1 825 . 2 2 66 66 ASN N N 15 112.694 0.05 . 1 . . . . 501 N N . 15919 1 826 . 2 2 66 66 ASN ND2 N 15 111.859 0.05 . 1 . . . . 501 N ND2 . 15919 1 827 . 2 2 67 67 PRO HA H 1 4.567 0.02 . 1 . . . . 502 P HA . 15919 1 828 . 2 2 67 67 PRO HB2 H 1 1.994 0.02 . 2 . . . . 502 P HB1 . 15919 1 829 . 2 2 67 67 PRO HB3 H 1 2.284 0.02 . 2 . . . . 502 P HB2 . 15919 1 830 . 2 2 67 67 PRO HD2 H 1 3.715 0.02 . 2 . . . . 502 P HD1 . 15919 1 831 . 2 2 67 67 PRO HD3 H 1 3.806 0.02 . 2 . . . . 502 P HD2 . 15919 1 832 . 2 2 67 67 PRO HG2 H 1 1.487 0.02 . 2 . . . . 502 P HG1 . 15919 1 833 . 2 2 67 67 PRO HG3 H 1 1.813 0.02 . 2 . . . . 502 P HG2 . 15919 1 834 . 2 2 67 67 PRO C C 13 176.657 0.05 . 1 . . . . 502 P C . 15919 1 835 . 2 2 67 67 PRO CA C 13 63.471 0.05 . 1 . . . . 502 P CA . 15919 1 836 . 2 2 67 67 PRO CB C 13 32.178 0.05 . 1 . . . . 502 P CB . 15919 1 837 . 2 2 67 67 PRO CD C 13 50.728 0.05 . 1 . . . . 502 P CD . 15919 1 838 . 2 2 67 67 PRO CG C 13 27.493 0.05 . 1 . . . . 502 P CG . 15919 1 839 . 2 2 68 68 GLU H H 1 8.447 0.02 . 1 . . . . 503 E HN . 15919 1 840 . 2 2 68 68 GLU HA H 1 4.259 0.02 . 1 . . . . 503 E HA . 15919 1 841 . 2 2 68 68 GLU HB2 H 1 2.012 0.02 . 2 . . . . 503 E HB1 . 15919 1 842 . 2 2 68 68 GLU HB3 H 1 2.012 0.02 . 2 . . . . 503 E HB2 . 15919 1 843 . 2 2 68 68 GLU HG2 H 1 2.175 0.02 . 2 . . . . 503 E HG1 . 15919 1 844 . 2 2 68 68 GLU HG3 H 1 2.356 0.02 . 2 . . . . 503 E HG2 . 15919 1 845 . 2 2 68 68 GLU C C 13 175.977 0.05 . 1 . . . . 503 E C . 15919 1 846 . 2 2 68 68 GLU CA C 13 56.975 0.05 . 1 . . . . 503 E CA . 15919 1 847 . 2 2 68 68 GLU CB C 13 30.462 0.05 . 1 . . . . 503 E CB . 15919 1 848 . 2 2 68 68 GLU CG C 13 36.675 0.05 . 1 . . . . 503 E CG . 15919 1 849 . 2 2 68 68 GLU N N 15 120.399 0.05 . 1 . . . . 503 E N . 15919 1 850 . 2 2 69 69 ARG H H 1 8.417 0.02 . 1 . . . . 504 R HN . 15919 1 851 . 2 2 69 69 ARG HA H 1 5.020 0.02 . 1 . . . . 504 R HA . 15919 1 852 . 2 2 69 69 ARG HB2 H 1 1.650 0.02 . 2 . . . . 504 R HB1 . 15919 1 853 . 2 2 69 69 ARG HB3 H 1 1.650 0.02 . 2 . . . . 504 R HB2 . 15919 1 854 . 2 2 69 69 ARG HD2 H 1 3.208 0.02 . 2 . . . . 504 R HD1 . 15919 1 855 . 2 2 69 69 ARG HD3 H 1 3.208 0.02 . 2 . . . . 504 R HD2 . 15919 1 856 . 2 2 69 69 ARG HG2 H 1 1.523 0.02 . 2 . . . . 504 R HG1 . 15919 1 857 . 2 2 69 69 ARG HG3 H 1 1.686 0.02 . 2 . . . . 504 R HG2 . 15919 1 858 . 2 2 69 69 ARG C C 13 175.915 0.05 . 1 . . . . 504 R C . 15919 1 859 . 2 2 69 69 ARG CA C 13 54.862 0.05 . 1 . . . . 504 R CA . 15919 1 860 . 2 2 69 69 ARG CB C 13 31.807 0.05 . 1 . . . . 504 R CB . 15919 1 861 . 2 2 69 69 ARG CD C 13 43.983 0.05 . 1 . . . . 504 R CD . 15919 1 862 . 2 2 69 69 ARG CG C 13 27.680 0.05 . 1 . . . . 504 R CG . 15919 1 863 . 2 2 69 69 ARG N N 15 123.317 0.05 . 1 . . . . 504 R N . 15919 1 864 . 2 2 70 70 LYS H H 1 8.886 0.02 . 1 . . . . 505 K HN . 15919 1 865 . 2 2 70 70 LYS HA H 1 4.494 0.02 . 1 . . . . 505 K HA . 15919 1 866 . 2 2 70 70 LYS HB2 H 1 1.523 0.02 . 2 . . . . 505 K HB1 . 15919 1 867 . 2 2 70 70 LYS HB3 H 1 1.595 0.02 . 2 . . . . 505 K HB2 . 15919 1 868 . 2 2 70 70 LYS HD2 H 1 1.530 0.02 . 2 . . . . 505 K HD1 . 15919 1 869 . 2 2 70 70 LYS HD3 H 1 1.530 0.02 . 2 . . . . 505 K HD2 . 15919 1 870 . 2 2 70 70 LYS HE2 H 1 2.827 0.02 . 2 . . . . 505 K HE1 . 15919 1 871 . 2 2 70 70 LYS HE3 H 1 2.827 0.02 . 2 . . . . 505 K HE2 . 15919 1 872 . 2 2 70 70 LYS HG2 H 1 1.233 0.02 . 2 . . . . 505 K HG1 . 15919 1 873 . 2 2 70 70 LYS HG3 H 1 1.233 0.02 . 2 . . . . 505 K HG2 . 15919 1 874 . 2 2 70 70 LYS C C 13 174.833 0.05 . 1 . . . . 505 K C . 15919 1 875 . 2 2 70 70 LYS CA C 13 54.862 0.05 . 1 . . . . 505 K CA . 15919 1 876 . 2 2 70 70 LYS CB C 13 36.226 0.05 . 1 . . . . 505 K CB . 15919 1 877 . 2 2 70 70 LYS CD C 13 29.179 0.05 . 1 . . . . 505 K CD . 15919 1 878 . 2 2 70 70 LYS CE C 13 41.921 0.05 . 1 . . . . 505 K CE . 15919 1 879 . 2 2 70 70 LYS CG C 13 24.307 0.05 . 1 . . . . 505 K CG . 15919 1 880 . 2 2 70 70 LYS N N 15 123.834 0.05 . 1 . . . . 505 K N . 15919 1 881 . 2 2 71 71 MET H H 1 8.750 0.02 . 1 . . . . 506 M HN . 15919 1 882 . 2 2 71 71 MET HA H 1 4.875 0.02 . 1 . . . . 506 M HA . 15919 1 883 . 2 2 71 71 MET HB2 H 1 1.885 0.02 . 2 . . . . 506 M HB1 . 15919 1 884 . 2 2 71 71 MET HB3 H 1 1.940 0.02 . 2 . . . . 506 M HB2 . 15919 1 885 . 2 2 71 71 MET HG2 H 1 2.465 0.02 . 2 . . . . 506 M HG1 . 15919 1 886 . 2 2 71 71 MET HG3 H 1 2.465 0.02 . 2 . . . . 506 M HG2 . 15919 1 887 . 2 2 71 71 MET C C 13 176.132 0.05 . 1 . . . . 506 M C . 15919 1 888 . 2 2 71 71 MET CA C 13 54.093 0.05 . 1 . . . . 506 M CA . 15919 1 889 . 2 2 71 71 MET CB C 13 31.038 0.05 . 1 . . . . 506 M CB . 15919 1 890 . 2 2 71 71 MET N N 15 124.719 0.05 . 1 . . . . 506 M N . 15919 1 891 . 2 2 72 72 ILE H H 1 8.416 0.02 . 1 . . . . 507 I HN . 15919 1 892 . 2 2 72 72 ILE HA H 1 4.041 0.02 . 1 . . . . 507 I HA . 15919 1 893 . 2 2 72 72 ILE HB H 1 0.816 0.02 . 1 . . . . 507 I HB . 15919 1 894 . 2 2 72 72 ILE HD11 H 1 -0.235 0.02 . 1 . . . . 507 I HD11 . 15919 1 895 . 2 2 72 72 ILE HD12 H 1 -0.235 0.02 . 1 . . . . 507 I HD11 . 15919 1 896 . 2 2 72 72 ILE HD13 H 1 -0.235 0.02 . 1 . . . . 507 I HD11 . 15919 1 897 . 2 2 72 72 ILE HG12 H 1 0.617 0.02 . 1 . . . . 507 I HG11 . 15919 1 898 . 2 2 72 72 ILE HG13 H 1 1.034 0.02 . 1 . . . . 507 I HG12 . 15919 1 899 . 2 2 72 72 ILE C C 13 175.977 0.05 . 1 . . . . 507 I C . 15919 1 900 . 2 2 72 72 ILE CA C 13 61.203 0.05 . 1 . . . . 507 I CA . 15919 1 901 . 2 2 72 72 ILE CB C 13 40.068 0.05 . 1 . . . . 507 I CB . 15919 1 902 . 2 2 72 72 ILE CG2 C 13 16.999 0.05 . 1 . . . . 507 I CG2 . 15919 1 903 . 2 2 72 72 ILE N N 15 126.391 0.05 . 1 . . . . 507 I N . 15919 1 904 . 2 2 73 73 ASN H H 1 9.390 0.02 . 1 . . . . 508 N HN . 15919 1 905 . 2 2 73 73 ASN HA H 1 4.277 0.02 . 1 . . . . 508 N HA . 15919 1 906 . 2 2 73 73 ASN HB2 H 1 2.846 0.02 . 2 . . . . 508 N HB1 . 15919 1 907 . 2 2 73 73 ASN HB3 H 1 3.027 0.02 . 2 . . . . 508 N HB2 . 15919 1 908 . 2 2 73 73 ASN HD21 H 1 7.626 0.02 . 2 . . . . 508 N HD21 . 15919 1 909 . 2 2 73 73 ASN HD22 H 1 6.868 0.02 . 2 . . . . 508 N HD22 . 15919 1 910 . 2 2 73 73 ASN C C 13 174.277 0.05 . 1 . . . . 508 N C . 15919 1 911 . 2 2 73 73 ASN CA C 13 54.670 0.05 . 1 . . . . 508 N CA . 15919 1 912 . 2 2 73 73 ASN CB C 13 37.186 0.05 . 1 . . . . 508 N CB . 15919 1 913 . 2 2 73 73 ASN N N 15 126.490 0.05 . 1 . . . . 508 N N . 15919 1 914 . 2 2 73 73 ASN ND2 N 15 113.260 0.05 . 1 . . . . 508 N ND2 . 15919 1 915 . 2 2 74 74 ASP H H 1 8.669 0.02 . 1 . . . . 509 D HN . 15919 1 916 . 2 2 74 74 ASP HA H 1 4.168 0.02 . 1 . . . . 509 D HA . 15919 1 917 . 2 2 74 74 ASP HB2 H 1 2.827 0.02 . 2 . . . . 509 D HB1 . 15919 1 918 . 2 2 74 74 ASP HB3 H 1 2.900 0.02 . 2 . . . . 509 D HB2 . 15919 1 919 . 2 2 74 74 ASP C C 13 174.803 0.05 . 1 . . . . 509 D C . 15919 1 920 . 2 2 74 74 ASP CA C 13 56.207 0.05 . 1 . . . . 509 D CA . 15919 1 921 . 2 2 74 74 ASP CB C 13 40.068 0.05 . 1 . . . . 509 D CB . 15919 1 922 . 2 2 74 74 ASP N N 15 109.521 0.05 . 1 . . . . 509 D N . 15919 1 923 . 2 2 75 75 LYS H H 1 7.830 0.02 . 1 . . . . 510 K HN . 15919 1 924 . 2 2 75 75 LYS HA H 1 4.730 0.02 . 1 . . . . 510 K HA . 15919 1 925 . 2 2 75 75 LYS HB2 H 1 1.704 0.02 . 2 . . . . 510 K HB1 . 15919 1 926 . 2 2 75 75 LYS HB3 H 1 1.813 0.02 . 2 . . . . 510 K HB2 . 15919 1 927 . 2 2 75 75 LYS HD2 H 1 1.722 0.02 . 2 . . . . 510 K HD1 . 15919 1 928 . 2 2 75 75 LYS HD3 H 1 1.722 0.02 . 2 . . . . 510 K HD2 . 15919 1 929 . 2 2 75 75 LYS HE2 H 1 3.045 0.02 . 2 . . . . 510 K HE1 . 15919 1 930 . 2 2 75 75 LYS HE3 H 1 3.045 0.02 . 2 . . . . 510 K HE2 . 15919 1 931 . 2 2 75 75 LYS HG2 H 1 1.450 0.02 . 2 . . . . 510 K HG1 . 15919 1 932 . 2 2 75 75 LYS HG3 H 1 1.450 0.02 . 2 . . . . 510 K HG2 . 15919 1 933 . 2 2 75 75 LYS C C 13 176.997 0.05 . 1 . . . . 510 K C . 15919 1 934 . 2 2 75 75 LYS CA C 13 54.670 0.05 . 1 . . . . 510 K CA . 15919 1 935 . 2 2 75 75 LYS CB C 13 36.372 0.05 . 1 . . . . 510 K CB . 15919 1 936 . 2 2 75 75 LYS CD C 13 29.041 0.05 . 1 . . . . 510 K CD . 15919 1 937 . 2 2 75 75 LYS CE C 13 42.199 0.05 . 1 . . . . 510 K CE . 15919 1 938 . 2 2 75 75 LYS CG C 13 24.529 0.05 . 1 . . . . 510 K CG . 15919 1 939 . 2 2 75 75 LYS N N 15 117.902 0.05 . 1 . . . . 510 K N . 15919 1 940 . 2 2 76 76 MET H H 1 9.235 0.02 . 1 . . . . 511 M HN . 15919 1 941 . 2 2 76 76 MET HA H 1 4.494 0.02 . 1 . . . . 511 M HA . 15919 1 942 . 2 2 76 76 MET HB2 H 1 1.903 0.02 . 2 . . . . 511 M HB1 . 15919 1 943 . 2 2 76 76 MET HB3 H 1 1.903 0.02 . 2 . . . . 511 M HB2 . 15919 1 944 . 2 2 76 76 MET HE1 H 1 1.813 0.02 . 1 . . . . 511 M HE1 . 15919 1 945 . 2 2 76 76 MET HE2 H 1 1.813 0.02 . 1 . . . . 511 M HE1 . 15919 1 946 . 2 2 76 76 MET HE3 H 1 1.813 0.02 . 1 . . . . 511 M HE1 . 15919 1 947 . 2 2 76 76 MET HG2 H 1 2.048 0.02 . 2 . . . . 511 M HG1 . 15919 1 948 . 2 2 76 76 MET HG3 H 1 2.048 0.02 . 2 . . . . 511 M HG2 . 15919 1 949 . 2 2 76 76 MET C C 13 175.081 0.05 . 1 . . . . 511 M C . 15919 1 950 . 2 2 76 76 MET CA C 13 56.975 0.05 . 1 . . . . 511 M CA . 15919 1 951 . 2 2 76 76 MET CB C 13 31.422 0.05 . 1 . . . . 511 M CB . 15919 1 952 . 2 2 76 76 MET CE C 13 17.936 0.05 . 1 . . . . 511 M CE . 15919 1 953 . 2 2 76 76 MET CG C 13 31.428 0.05 . 1 . . . . 511 M CG . 15919 1 954 . 2 2 76 76 MET N N 15 129.097 0.05 . 1 . . . . 511 M N . 15919 1 955 . 2 2 77 77 HIS H H 1 9.294 0.02 . 1 . . . . 512 H HN . 15919 1 956 . 2 2 77 77 HIS HA H 1 4.494 0.02 . 1 . . . . 512 H HA . 15919 1 957 . 2 2 77 77 HIS HB2 H 1 2.755 0.02 . 2 . . . . 512 H HB1 . 15919 1 958 . 2 2 77 77 HIS HB3 H 1 2.846 0.02 . 2 . . . . 512 H HB2 . 15919 1 959 . 2 2 77 77 HIS HD2 H 1 6.581 0.02 . 4 . . . . 512 H HD2 . 15919 1 960 . 2 2 77 77 HIS C C 13 173.505 0.05 . 1 . . . . 512 H C . 15919 1 961 . 2 2 77 77 HIS CA C 13 54.803 0.05 . 1 . . . . 512 H CA . 15919 1 962 . 2 2 77 77 HIS CB C 13 32.252 0.05 . 1 . . . . 512 H CB . 15919 1 963 . 2 2 77 77 HIS N N 15 125.968 0.05 . 1 . . . . 512 H N . 15919 1 964 . 2 2 78 78 PHE H H 1 9.160 0.02 . 1 . . . . 513 F HN . 15919 1 965 . 2 2 78 78 PHE HA H 1 5.649 0.02 . 1 . . . . 513 F HA . 15919 1 966 . 2 2 78 78 PHE HB2 H 1 2.864 0.02 . 2 . . . . 513 F HB1 . 15919 1 967 . 2 2 78 78 PHE HB3 H 1 2.864 0.02 . 2 . . . . 513 F HB2 . 15919 1 968 . 2 2 78 78 PHE HD1 H 1 7.100 0.02 . 3 . . . . 513 F HD1 . 15919 1 969 . 2 2 78 78 PHE C C 13 175.761 0.05 . 1 . . . . 513 F C . 15919 1 970 . 2 2 78 78 PHE CA C 13 56.207 0.05 . 1 . . . . 513 F CA . 15919 1 971 . 2 2 78 78 PHE CB C 13 42.374 0.05 . 1 . . . . 513 F CB . 15919 1 972 . 2 2 78 78 PHE N N 15 120.405 0.05 . 1 . . . . 513 F N . 15919 1 973 . 2 2 79 79 SER H H 1 8.770 0.02 . 1 . . . . 514 S HN . 15919 1 974 . 2 2 79 79 SER HA H 1 4.893 0.02 . 1 . . . . 514 S HA . 15919 1 975 . 2 2 79 79 SER HB2 H 1 3.498 0.02 . 2 . . . . 514 S HB1 . 15919 1 976 . 2 2 79 79 SER HB3 H 1 3.715 0.02 . 2 . . . . 514 S HB2 . 15919 1 977 . 2 2 79 79 SER C C 13 172.083 0.05 . 1 . . . . 514 S C . 15919 1 978 . 2 2 79 79 SER CA C 13 57.744 0.05 . 1 . . . . 514 S CA . 15919 1 979 . 2 2 79 79 SER CB C 13 65.814 0.05 . 1 . . . . 514 S CB . 15919 1 980 . 2 2 79 79 SER N N 15 113.383 0.05 . 1 . . . . 514 S N . 15919 1 981 . 2 2 80 80 LEU H H 1 7.472 0.02 . 1 . . . . 515 L HN . 15919 1 982 . 2 2 80 80 LEU HA H 1 4.893 0.02 . 1 . . . . 515 L HA . 15919 1 983 . 2 2 80 80 LEU HB2 H 1 1.287 0.02 . 2 . . . . 515 L HB1 . 15919 1 984 . 2 2 80 80 LEU HB3 H 1 1.559 0.02 . 2 . . . . 515 L HB2 . 15919 1 985 . 2 2 80 80 LEU HD11 H 1 0.943 0.02 . 2 . . . . 515 L HD11 . 15919 1 986 . 2 2 80 80 LEU HD12 H 1 0.943 0.02 . 2 . . . . 515 L HD11 . 15919 1 987 . 2 2 80 80 LEU HD13 H 1 0.943 0.02 . 2 . . . . 515 L HD11 . 15919 1 988 . 2 2 80 80 LEU HD21 H 1 1.052 0.02 . 2 . . . . 515 L HD21 . 15919 1 989 . 2 2 80 80 LEU HD22 H 1 1.052 0.02 . 2 . . . . 515 L HD21 . 15919 1 990 . 2 2 80 80 LEU HD23 H 1 1.052 0.02 . 2 . . . . 515 L HD21 . 15919 1 991 . 2 2 80 80 LEU HG H 1 1.450 0.02 . 1 . . . . 515 L HG . 15919 1 992 . 2 2 80 80 LEU C C 13 175.575 0.05 . 1 . . . . 515 L C . 15919 1 993 . 2 2 80 80 LEU CA C 13 53.325 0.05 . 1 . . . . 515 L CA . 15919 1 994 . 2 2 80 80 LEU CB C 13 46.408 0.05 . 1 . . . . 515 L CB . 15919 1 995 . 2 2 80 80 LEU CD1 C 13 27.493 0.05 . 1 . . . . 515 L CD1 . 15919 1 996 . 2 2 80 80 LEU CD2 C 13 24.495 0.05 . 1 . . . . 515 L CD2 . 15919 1 997 . 2 2 80 80 LEU CG C 13 27.604 0.05 . 1 . . . . 515 L CG . 15919 1 998 . 2 2 80 80 LEU N N 15 123.326 0.05 . 1 . . . . 515 L N . 15919 1 999 . 2 2 81 81 LYS H H 1 8.478 0.02 . 1 . . . . 516 K HN . 15919 1 1000 . 2 2 81 81 LYS HA H 1 4.331 0.02 . 1 . . . . 516 K HA . 15919 1 1001 . 2 2 81 81 LYS HB2 H 1 1.800 0.02 . 2 . . . . 516 K HB1 . 15919 1 1002 . 2 2 81 81 LYS HB3 H 1 1.831 0.02 . 2 . . . . 516 K HB2 . 15919 1 1003 . 2 2 81 81 LYS HD2 H 1 1.668 0.02 . 2 . . . . 516 K HD1 . 15919 1 1004 . 2 2 81 81 LYS HD3 H 1 1.668 0.02 . 2 . . . . 516 K HD2 . 15919 1 1005 . 2 2 81 81 LYS HE2 H 1 2.990 0.02 . 2 . . . . 516 K HE1 . 15919 1 1006 . 2 2 81 81 LYS HE3 H 1 2.990 0.02 . 2 . . . . 516 K HE2 . 15919 1 1007 . 2 2 81 81 LYS HG2 H 1 1.450 0.02 . 2 . . . . 516 K HG1 . 15919 1 1008 . 2 2 81 81 LYS HG3 H 1 1.450 0.02 . 2 . . . . 516 K HG2 . 15919 1 1009 . 2 2 81 81 LYS C C 13 175.884 0.05 . 1 . . . . 516 K C . 15919 1 1010 . 2 2 81 81 LYS CA C 13 56.399 0.05 . 1 . . . . 516 K CA . 15919 1 1011 . 2 2 81 81 LYS CB C 13 33.728 0.05 . 1 . . . . 516 K CB . 15919 1 1012 . 2 2 81 81 LYS CD C 13 29.179 0.05 . 1 . . . . 516 K CD . 15919 1 1013 . 2 2 81 81 LYS CE C 13 42.109 0.05 . 1 . . . . 516 K CE . 15919 1 1014 . 2 2 81 81 LYS CG C 13 24.682 0.05 . 1 . . . . 516 K CG . 15919 1 1015 . 2 2 81 81 LYS N N 15 121.796 0.05 . 1 . . . . 516 K N . 15919 1 1016 . 2 2 82 82 GLU H H 1 8.054 0.02 . 1 . . . . 517 E HN . 15919 1 1017 . 2 2 82 82 GLU CA C 13 58.128 0.05 . 1 . . . . 517 E CA . 15919 1 1018 . 2 2 82 82 GLU CB C 13 31.038 0.05 . 1 . . . . 517 E CB . 15919 1 1019 . 2 2 82 82 GLU N N 15 126.593 0.05 . 1 . . . . 517 E N . 15919 1 stop_ save_