data_5685 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5685 _Entry.Title ; 1H, 15N, and 13C Assignments and CSI Analysis of a 18kDa Complex Formed by the Carboxyl-Terminal Domains of RAP74 and FCP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-02-03 _Entry.Accession_date 2003-02-03 _Entry.Last_release_date 2003-12-17 _Entry.Original_release_date 2003-12-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Bao Nguyen . D. . 5685 2 James Omichinski . G. . 5685 3 Pascale Legault . . . 5685 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5685 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 833 5685 '13C chemical shifts' 572 5685 '15N chemical shifts' 139 5685 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-12-17 2003-02-03 original author . 5685 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5685 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12578358 _Citation.Full_citation . _Citation.Title ; Solution structure of the carboxyl-terminal domain of RAP74 and NMR characterization of the FCP1-binding sites of RAP74 and human TFIIB ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1460 _Citation.Page_last 1469 _Citation.Year 2003 _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 Bao Nguyen . D. . 5685 1 2 H. Chen . T. . 5685 1 3 M. Kobor . S. . 5685 1 4 J. Greenblatt . . . 5685 1 5 Pascale Legault . . . 5685 1 6 James Omichinski . G. . 5685 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID RAP74 5685 1 FCP1 5685 1 'CTD Phosphatase' 5685 1 transcription 5685 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RAP74_FCP1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RAP74_FCP1 _Assembly.Entry_ID 5685 _Assembly.ID 1 _Assembly.Name RAP74/FCP1 _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID complex 5685 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RAP74 1 $RAP74 . . . native . . . . . 5685 1 2 FCP1 2 $FCP1 . . . native . . . . . 5685 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID RAP74/FCP1 system 5685 1 'RAP74 FCP1' abbreviation 5685 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'CTD Phosphatase' 5685 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RAP74 _Entity.Sf_category entity _Entity.Sf_framecode RAP74 _Entity.Entry_ID 5685 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RAP74 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; STPQPPSGKTTPNSGDVQVT EDAVRRYLTRKPMTTKDLLK KFQTKKTGLSSEQTVNVLAQ ILKRLNPERKMINDKMHFSL KE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16296 . FCP1 . . . . . 100.00 85 100.00 100.00 9.93e-47 . . . . 5685 1 2 no PDB 1ONV . "Nmr Structure Of A Complex Containing The Tfiif Subunit Rap74 And The Rnap Ii Ctd Phosphatase Fcp1" . . . . . 100.00 83 100.00 100.00 5.75e-47 . . . . 5685 1 3 no GB AAC64549 . "serine phosphatase FCP1a [Homo sapiens]" . . . . . 100.00 842 100.00 100.00 1.54e-42 . . . . 5685 1 4 no GB AAH52576 . "CTDP1 protein, partial [Homo sapiens]" . . . . . 100.00 874 100.00 100.00 1.65e-42 . . . . 5685 1 5 no GB EAW66628 . "CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) phosphatase, subunit 1, isoform CRA_a [Homo sapiens]" . . . . . 100.00 961 100.00 100.00 2.31e-42 . . . . 5685 1 6 no REF NP_001189433 . "RNA polymerase II subunit A C-terminal domain phosphatase isoform 3 [Homo sapiens]" . . . . . 100.00 842 100.00 100.00 1.53e-42 . . . . 5685 1 7 no REF NP_004706 . "RNA polymerase II subunit A C-terminal domain phosphatase isoform 1 [Homo sapiens]" . . . . . 100.00 961 100.00 100.00 2.31e-42 . . . . 5685 1 8 no REF XP_002828379 . "PREDICTED: LOW QUALITY PROTEIN: RNA polymerase II subunit A C-terminal domain phosphatase [Pongo abelii]" . . . . . 100.00 962 100.00 100.00 2.69e-42 . . . . 5685 1 9 no REF XP_003805250 . "PREDICTED: LOW QUALITY PROTEIN: RNA polymerase II subunit A C-terminal domain phosphatase [Pan paniscus]" . . . . . 100.00 961 98.80 98.80 1.36e-41 . . . . 5685 1 10 no REF XP_004059621 . "PREDICTED: RNA polymerase II subunit A C-terminal domain phosphatase isoform 1 [Gorilla gorilla gorilla]" . . . . . 100.00 842 100.00 100.00 1.51e-42 . . . . 5685 1 11 no SP Q9Y5B0 . "RecName: Full=RNA polymerase II subunit A C-terminal domain phosphatase; AltName: Full=TFIIF-associating CTD phosphatase [Homo " . . . . . 100.00 961 100.00 100.00 2.31e-42 . . . . 5685 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID RAP74 common 5685 1 RAP74 abbreviation 5685 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 1 436 SER . 5685 1 2 437 THR . 5685 1 3 438 PRO . 5685 1 4 439 GLN . 5685 1 5 440 PRO . 5685 1 6 441 PRO . 5685 1 7 442 SER . 5685 1 8 443 GLY . 5685 1 9 444 LYS . 5685 1 10 445 THR . 5685 1 11 446 THR . 5685 1 12 447 PRO . 5685 1 13 448 ASN . 5685 1 14 449 SER . 5685 1 15 450 GLY . 5685 1 16 451 ASP . 5685 1 17 452 VAL . 5685 1 18 453 GLN . 5685 1 19 454 VAL . 5685 1 20 455 THR . 5685 1 21 456 GLU . 5685 1 22 457 ASP . 5685 1 23 458 ALA . 5685 1 24 459 VAL . 5685 1 25 460 ARG . 5685 1 26 461 ARG . 5685 1 27 462 TYR . 5685 1 28 463 LEU . 5685 1 29 464 THR . 5685 1 30 465 ARG . 5685 1 31 466 LYS . 5685 1 32 467 PRO . 5685 1 33 468 MET . 5685 1 34 469 THR . 5685 1 35 470 THR . 5685 1 36 471 LYS . 5685 1 37 472 ASP . 5685 1 38 473 LEU . 5685 1 39 474 LEU . 5685 1 40 475 LYS . 5685 1 41 476 LYS . 5685 1 42 477 PHE . 5685 1 43 478 GLN . 5685 1 44 479 THR . 5685 1 45 480 LYS . 5685 1 46 481 LYS . 5685 1 47 482 THR . 5685 1 48 483 GLY . 5685 1 49 484 LEU . 5685 1 50 485 SER . 5685 1 51 486 SER . 5685 1 52 487 GLU . 5685 1 53 488 GLN . 5685 1 54 489 THR . 5685 1 55 490 VAL . 5685 1 56 491 ASN . 5685 1 57 492 VAL . 5685 1 58 493 LEU . 5685 1 59 494 ALA . 5685 1 60 495 GLN . 5685 1 61 496 ILE . 5685 1 62 497 LEU . 5685 1 63 498 LYS . 5685 1 64 499 ARG . 5685 1 65 500 LEU . 5685 1 66 501 ASN . 5685 1 67 502 PRO . 5685 1 68 503 GLU . 5685 1 69 504 ARG . 5685 1 70 505 LYS . 5685 1 71 506 MET . 5685 1 72 507 ILE . 5685 1 73 508 ASN . 5685 1 74 509 ASP . 5685 1 75 510 LYS . 5685 1 76 511 MET . 5685 1 77 512 HIS . 5685 1 78 513 PHE . 5685 1 79 514 SER . 5685 1 80 515 LEU . 5685 1 81 516 LYS . 5685 1 82 517 GLU . 5685 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 . SER 1 1 5685 1 . THR 2 2 5685 1 . PRO 3 3 5685 1 . GLN 4 4 5685 1 . PRO 5 5 5685 1 . PRO 6 6 5685 1 . SER 7 7 5685 1 . GLY 8 8 5685 1 . LYS 9 9 5685 1 . THR 10 10 5685 1 . THR 11 11 5685 1 . PRO 12 12 5685 1 . ASN 13 13 5685 1 . SER 14 14 5685 1 . GLY 15 15 5685 1 . ASP 16 16 5685 1 . VAL 17 17 5685 1 . GLN 18 18 5685 1 . VAL 19 19 5685 1 . THR 20 20 5685 1 . GLU 21 21 5685 1 . ASP 22 22 5685 1 . ALA 23 23 5685 1 . VAL 24 24 5685 1 . ARG 25 25 5685 1 . ARG 26 26 5685 1 . TYR 27 27 5685 1 . LEU 28 28 5685 1 . THR 29 29 5685 1 . ARG 30 30 5685 1 . LYS 31 31 5685 1 . PRO 32 32 5685 1 . MET 33 33 5685 1 . THR 34 34 5685 1 . THR 35 35 5685 1 . LYS 36 36 5685 1 . ASP 37 37 5685 1 . LEU 38 38 5685 1 . LEU 39 39 5685 1 . LYS 40 40 5685 1 . LYS 41 41 5685 1 . PHE 42 42 5685 1 . GLN 43 43 5685 1 . THR 44 44 5685 1 . LYS 45 45 5685 1 . LYS 46 46 5685 1 . THR 47 47 5685 1 . GLY 48 48 5685 1 . LEU 49 49 5685 1 . SER 50 50 5685 1 . SER 51 51 5685 1 . GLU 52 52 5685 1 . GLN 53 53 5685 1 . THR 54 54 5685 1 . VAL 55 55 5685 1 . ASN 56 56 5685 1 . VAL 57 57 5685 1 . LEU 58 58 5685 1 . ALA 59 59 5685 1 . GLN 60 60 5685 1 . ILE 61 61 5685 1 . LEU 62 62 5685 1 . LYS 63 63 5685 1 . ARG 64 64 5685 1 . LEU 65 65 5685 1 . ASN 66 66 5685 1 . PRO 67 67 5685 1 . GLU 68 68 5685 1 . ARG 69 69 5685 1 . LYS 70 70 5685 1 . MET 71 71 5685 1 . ILE 72 72 5685 1 . ASN 73 73 5685 1 . ASP 74 74 5685 1 . LYS 75 75 5685 1 . MET 76 76 5685 1 . HIS 77 77 5685 1 . PHE 78 78 5685 1 . SER 79 79 5685 1 . LEU 80 80 5685 1 . LYS 81 81 5685 1 . GLU 82 82 5685 1 stop_ save_ save_FCP1 _Entity.Sf_category entity _Entity.Sf_framecode FCP1 _Entity.Entry_ID 5685 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name FCP1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PEEQEEEPQPRKPGTRRERT LGAPASSERSAAGGRGPRGH KRKLNEEDAASESSRESSNE DEGSSSEADEMAKALEAELN DLM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . REF XP_001144243 . 'PREDICTED: CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) phosphatase, subunit 1 isoform 2 [Pan troglodytes]' . . . . . 100.00 962 98.80 98.80 4.06e-37 . . . . 5685 2 . . REF XP_001144161 . 'PREDICTED: CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) phosphatase, subunit 1 isoform 1 [Pan troglodytes]' . . . . . 55.42 851 100.00 100.00 1.62e-09 . . . . 5685 2 . . REF NP_004706 . 'CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) phosphatase, subunit 1 isoform FCP1a [Homo sapiens]' . . . . . 100.00 961 100.00 100.00 2.17e-37 . . . . 5685 2 . . GenBank EAW66628 . 'CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) phosphatase, subunit 1, isoform CRA_a [Homo sapiens]' . . . . . 100.00 961 100.00 100.00 2.17e-37 . . . . 5685 2 . . GenBank AAH52576 . 'CTDP1 protein [Homo sapiens]' . . . . . 100.00 874 100.00 100.00 2.10e-37 . . . . 5685 2 . . GenBank AAC64549 . 'serine phosphatase FCP1a [Homo sapiens]' . . . . . 100.00 842 100.00 100.00 2.26e-37 . . . . 5685 2 . . PDB 1ONV . 'Nmr Structure Of A Complex Containing The Tfiif Subunit Rap74 And The Rnap Ii Ctd Phosphatase Fcp1' . . . . . 100.00 83 100.00 100.00 7.33e-37 . . . . 5685 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID FCP1 common 5685 2 FCP1 abbreviation 5685 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 1 879 PRO . 5685 2 2 880 GLU . 5685 2 3 881 GLU . 5685 2 4 882 GLN . 5685 2 5 883 GLU . 5685 2 6 884 GLU . 5685 2 7 885 GLU . 5685 2 8 886 PRO . 5685 2 9 887 GLN . 5685 2 10 888 PRO . 5685 2 11 889 ARG . 5685 2 12 890 LYS . 5685 2 13 891 PRO . 5685 2 14 892 GLY . 5685 2 15 893 THR . 5685 2 16 894 ARG . 5685 2 17 895 ARG . 5685 2 18 896 GLU . 5685 2 19 897 ARG . 5685 2 20 898 THR . 5685 2 21 899 LEU . 5685 2 22 900 GLY . 5685 2 23 901 ALA . 5685 2 24 902 PRO . 5685 2 25 903 ALA . 5685 2 26 904 SER . 5685 2 27 905 SER . 5685 2 28 906 GLU . 5685 2 29 907 ARG . 5685 2 30 908 SER . 5685 2 31 909 ALA . 5685 2 32 910 ALA . 5685 2 33 911 GLY . 5685 2 34 912 GLY . 5685 2 35 913 ARG . 5685 2 36 914 GLY . 5685 2 37 915 PRO . 5685 2 38 916 ARG . 5685 2 39 917 GLY . 5685 2 40 918 HIS . 5685 2 41 919 LYS . 5685 2 42 920 ARG . 5685 2 43 921 LYS . 5685 2 44 922 LEU . 5685 2 45 923 ASN . 5685 2 46 924 GLU . 5685 2 47 925 GLU . 5685 2 48 926 ASP . 5685 2 49 927 ALA . 5685 2 50 928 ALA . 5685 2 51 929 SER . 5685 2 52 930 GLU . 5685 2 53 931 SER . 5685 2 54 932 SER . 5685 2 55 933 ARG . 5685 2 56 934 GLU . 5685 2 57 935 SER . 5685 2 58 936 SER . 5685 2 59 937 ASN . 5685 2 60 938 GLU . 5685 2 61 939 ASP . 5685 2 62 940 GLU . 5685 2 63 941 GLY . 5685 2 64 942 SER . 5685 2 65 943 SER . 5685 2 66 944 SER . 5685 2 67 945 GLU . 5685 2 68 946 ALA . 5685 2 69 947 ASP . 5685 2 70 948 GLU . 5685 2 71 949 MET . 5685 2 72 950 ALA . 5685 2 73 951 LYS . 5685 2 74 952 ALA . 5685 2 75 953 LEU . 5685 2 76 954 GLU . 5685 2 77 955 ALA . 5685 2 78 956 GLU . 5685 2 79 957 LEU . 5685 2 80 958 ASN . 5685 2 81 959 ASP . 5685 2 82 960 LEU . 5685 2 83 961 MET . 5685 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 . PRO 1 1 5685 2 . GLU 2 2 5685 2 . GLU 3 3 5685 2 . GLN 4 4 5685 2 . GLU 5 5 5685 2 . GLU 6 6 5685 2 . GLU 7 7 5685 2 . PRO 8 8 5685 2 . GLN 9 9 5685 2 . PRO 10 10 5685 2 . ARG 11 11 5685 2 . LYS 12 12 5685 2 . PRO 13 13 5685 2 . GLY 14 14 5685 2 . THR 15 15 5685 2 . ARG 16 16 5685 2 . ARG 17 17 5685 2 . GLU 18 18 5685 2 . ARG 19 19 5685 2 . THR 20 20 5685 2 . LEU 21 21 5685 2 . GLY 22 22 5685 2 . ALA 23 23 5685 2 . PRO 24 24 5685 2 . ALA 25 25 5685 2 . SER 26 26 5685 2 . SER 27 27 5685 2 . GLU 28 28 5685 2 . ARG 29 29 5685 2 . SER 30 30 5685 2 . ALA 31 31 5685 2 . ALA 32 32 5685 2 . GLY 33 33 5685 2 . GLY 34 34 5685 2 . ARG 35 35 5685 2 . GLY 36 36 5685 2 . PRO 37 37 5685 2 . ARG 38 38 5685 2 . GLY 39 39 5685 2 . HIS 40 40 5685 2 . LYS 41 41 5685 2 . ARG 42 42 5685 2 . LYS 43 43 5685 2 . LEU 44 44 5685 2 . ASN 45 45 5685 2 . GLU 46 46 5685 2 . GLU 47 47 5685 2 . ASP 48 48 5685 2 . ALA 49 49 5685 2 . ALA 50 50 5685 2 . SER 51 51 5685 2 . GLU 52 52 5685 2 . SER 53 53 5685 2 . SER 54 54 5685 2 . ARG 55 55 5685 2 . GLU 56 56 5685 2 . SER 57 57 5685 2 . SER 58 58 5685 2 . ASN 59 59 5685 2 . GLU 60 60 5685 2 . ASP 61 61 5685 2 . GLU 62 62 5685 2 . GLY 63 63 5685 2 . SER 64 64 5685 2 . SER 65 65 5685 2 . SER 66 66 5685 2 . GLU 67 67 5685 2 . ALA 68 68 5685 2 . ASP 69 69 5685 2 . GLU 70 70 5685 2 . MET 71 71 5685 2 . ALA 72 72 5685 2 . LYS 73 73 5685 2 . ALA 74 74 5685 2 . LEU 75 75 5685 2 . GLU 76 76 5685 2 . ALA 77 77 5685 2 . GLU 78 78 5685 2 . LEU 79 79 5685 2 . ASN 80 80 5685 2 . ASP 81 81 5685 2 . LEU 82 82 5685 2 . MET 83 83 5685 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 5685 _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 $RAP74 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5685 1 2 2 $FCP1 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5685 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 5685 _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 $RAP74 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5685 1 2 2 $FCP1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5685 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5685 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RAP74 '[U-95% 13C; U-95% 15N]' . . 1 $RAP74 . . 1.0 1.0 1.2 mM . . . . 5685 1 2 FCP1 '[U-95% 13C; U-95% 15N]' . . 2 $FCP1 . . 1.0 1.0 1.2 mM . . . . 5685 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5685 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 n/a 5685 1 temperature 300 0.5 K 5685 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrview _Software.Sf_category software _Software.Sf_framecode nmrview _Software.Entry_ID 5685 _Software.ID 1 _Software.Name nmrview _Software.Version 5.1 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5685 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5685 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5685 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5685 _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 NMR_spectrometer_1 Varian INOVA . 500 . . . 5685 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 5685 1 3 NMR_spectrometer_3 Varian INOVA . 800 . . . 5685 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 5685 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5685 1 2 '1H-13C CT-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5685 1 3 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5685 1 4 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5685 1 5 (HB)CBCA(CO)NNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5685 1 6 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5685 1 7 H(CCO)NNH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5685 1 8 C(CO)NNH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5685 1 9 '1H-13C HMQC-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5685 1 10 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5685 1 11 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5685 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5685 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5685 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C CT-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5685 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5685 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5685 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name (HB)CBCA(CO)NNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5685 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5685 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name H(CCO)NNH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5685 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name C(CO)NNH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5685 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '1H-13C HMQC-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5685 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5685 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name DQF-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5685 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5685 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5685 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5685 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5685 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5685 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER N N 15 117.150 0.05 . 1 . . . . . . . . 5685 1 2 . 1 1 1 1 SER H H 1 8.280 0.02 . 1 . . . . . . . . 5685 1 3 . 1 1 1 1 SER CA C 13 58.230 0.05 . 1 . . . . . . . . 5685 1 4 . 1 1 1 1 SER HA H 1 4.480 0.02 . 1 . . . . . . . . 5685 1 5 . 1 1 1 1 SER CB C 13 63.860 0.05 . 1 . . . . . . . . 5685 1 6 . 1 1 1 1 SER HB3 H 1 3.820 0.02 . 2 . . . . . . . . 5685 1 7 . 1 1 1 1 SER C C 13 174.160 0.05 . 1 . . . . . . . . 5685 1 8 . 1 1 2 2 THR N N 15 118.320 0.05 . 1 . . . . . . . . 5685 1 9 . 1 1 2 2 THR H H 1 8.150 0.02 . 1 . . . . . . . . 5685 1 10 . 1 1 2 2 THR CA C 13 59.740 0.05 . 1 . . . . . . . . 5685 1 11 . 1 1 2 2 THR HA H 1 4.660 0.02 . 1 . . . . . . . . 5685 1 12 . 1 1 2 2 THR CB C 13 69.730 0.05 . 1 . . . . . . . . 5685 1 13 . 1 1 2 2 THR HB H 1 4.180 0.02 . 1 . . . . . . . . 5685 1 14 . 1 1 2 2 THR CG2 C 13 21.520 0.05 . 1 . . . . . . . . 5685 1 15 . 1 1 2 2 THR HG21 H 1 1.260 0.02 . 1 . . . . . . . . 5685 1 16 . 1 1 2 2 THR HG22 H 1 1.260 0.02 . 1 . . . . . . . . 5685 1 17 . 1 1 2 2 THR HG23 H 1 1.260 0.02 . 1 . . . . . . . . 5685 1 18 . 1 1 3 3 PRO CA C 13 63.100 0.05 . 1 . . . . . . . . 5685 1 19 . 1 1 3 3 PRO HA H 1 4.390 0.02 . 1 . . . . . . . . 5685 1 20 . 1 1 3 3 PRO CB C 13 32.120 0.05 . 1 . . . . . . . . 5685 1 21 . 1 1 3 3 PRO HB3 H 1 2.250 0.02 . 2 . . . . . . . . 5685 1 22 . 1 1 3 3 PRO HB2 H 1 1.840 0.02 . 2 . . . . . . . . 5685 1 23 . 1 1 3 3 PRO CG C 13 27.440 0.05 . 1 . . . . . . . . 5685 1 24 . 1 1 3 3 PRO HG3 H 1 1.980 0.02 . 2 . . . . . . . . 5685 1 25 . 1 1 3 3 PRO CD C 13 51.100 0.05 . 1 . . . . . . . . 5685 1 26 . 1 1 3 3 PRO HD3 H 1 3.840 0.02 . 2 . . . . . . . . 5685 1 27 . 1 1 3 3 PRO HD2 H 1 3.670 0.02 . 2 . . . . . . . . 5685 1 28 . 1 1 3 3 PRO C C 13 176.650 0.05 . 1 . . . . . . . . 5685 1 29 . 1 1 4 4 GLN N N 15 122.170 0.05 . 1 . . . . . . . . 5685 1 30 . 1 1 4 4 GLN H H 1 8.460 0.02 . 1 . . . . . . . . 5685 1 31 . 1 1 4 4 GLN CA C 13 53.470 0.05 . 1 . . . . . . . . 5685 1 32 . 1 1 4 4 GLN HA H 1 4.590 0.02 . 1 . . . . . . . . 5685 1 33 . 1 1 4 4 GLN CB C 13 29.160 0.05 . 1 . . . . . . . . 5685 1 34 . 1 1 4 4 GLN HB3 H 1 2.060 0.02 . 2 . . . . . . . . 5685 1 35 . 1 1 4 4 GLN HB2 H 1 1.900 0.02 . 2 . . . . . . . . 5685 1 36 . 1 1 4 4 GLN CG C 13 33.940 0.05 . 1 . . . . . . . . 5685 1 37 . 1 1 4 4 GLN HG3 H 1 2.350 0.02 . 2 . . . . . . . . 5685 1 38 . 1 1 4 4 GLN NE2 N 15 113.100 0.05 . 1 . . . . . . . . 5685 1 39 . 1 1 4 4 GLN HE21 H 1 7.520 0.02 . 2 . . . . . . . . 5685 1 40 . 1 1 4 4 GLN HE22 H 1 6.850 0.02 . 2 . . . . . . . . 5685 1 41 . 1 1 6 6 PRO CA C 13 63.060 0.05 . 1 . . . . . . . . 5685 1 42 . 1 1 6 6 PRO HA H 1 4.440 0.02 . 1 . . . . . . . . 5685 1 43 . 1 1 6 6 PRO CB C 13 32.040 0.05 . 1 . . . . . . . . 5685 1 44 . 1 1 6 6 PRO HB3 H 1 2.280 0.02 . 2 . . . . . . . . 5685 1 45 . 1 1 6 6 PRO HB2 H 1 1.940 0.02 . 2 . . . . . . . . 5685 1 46 . 1 1 6 6 PRO CG C 13 27.480 0.05 . 1 . . . . . . . . 5685 1 47 . 1 1 6 6 PRO HG3 H 1 2.010 0.02 . 2 . . . . . . . . 5685 1 48 . 1 1 6 6 PRO CD C 13 50.420 0.05 . 1 . . . . . . . . 5685 1 49 . 1 1 6 6 PRO HD3 H 1 3.800 0.02 . 2 . . . . . . . . 5685 1 50 . 1 1 6 6 PRO HD2 H 1 3.630 0.02 . 2 . . . . . . . . 5685 1 51 . 1 1 6 6 PRO C C 13 177.030 0.05 . 1 . . . . . . . . 5685 1 52 . 1 1 7 7 SER N N 15 116.040 0.05 . 1 . . . . . . . . 5685 1 53 . 1 1 7 7 SER H H 1 8.420 0.02 . 1 . . . . . . . . 5685 1 54 . 1 1 7 7 SER CA C 13 58.410 0.05 . 1 . . . . . . . . 5685 1 55 . 1 1 7 7 SER HA H 1 4.400 0.02 . 1 . . . . . . . . 5685 1 56 . 1 1 7 7 SER CB C 13 63.940 0.05 . 1 . . . . . . . . 5685 1 57 . 1 1 7 7 SER HB3 H 1 3.860 0.02 . 2 . . . . . . . . 5685 1 58 . 1 1 7 7 SER C C 13 175.180 0.05 . 1 . . . . . . . . 5685 1 59 . 1 1 8 8 GLY N N 15 111.320 0.05 . 1 . . . . . . . . 5685 1 60 . 1 1 8 8 GLY H H 1 8.420 0.02 . 1 . . . . . . . . 5685 1 61 . 1 1 8 8 GLY CA C 13 45.400 0.05 . 1 . . . . . . . . 5685 1 62 . 1 1 8 8 GLY HA3 H 1 3.950 0.02 . 2 . . . . . . . . 5685 1 63 . 1 1 8 8 GLY C C 13 173.830 0.05 . 1 . . . . . . . . 5685 1 64 . 1 1 9 9 LYS N N 15 120.780 0.05 . 1 . . . . . . . . 5685 1 65 . 1 1 9 9 LYS H H 1 8.180 0.02 . 1 . . . . . . . . 5685 1 66 . 1 1 9 9 LYS CA C 13 56.560 0.05 . 1 . . . . . . . . 5685 1 67 . 1 1 9 9 LYS HA H 1 4.370 0.02 . 1 . . . . . . . . 5685 1 68 . 1 1 9 9 LYS CB C 13 32.210 0.05 . 1 . . . . . . . . 5685 1 69 . 1 1 9 9 LYS HB3 H 1 1.820 0.02 . 2 . . . . . . . . 5685 1 70 . 1 1 9 9 LYS CG C 13 24.710 0.05 . 1 . . . . . . . . 5685 1 71 . 1 1 9 9 LYS HG3 H 1 1.370 0.02 . 2 . . . . . . . . 5685 1 72 . 1 1 9 9 LYS CD C 13 29.380 0.05 . 1 . . . . . . . . 5685 1 73 . 1 1 9 9 LYS HD3 H 1 1.680 0.02 . 2 . . . . . . . . 5685 1 74 . 1 1 9 9 LYS CE C 13 42.020 0.05 . 1 . . . . . . . . 5685 1 75 . 1 1 9 9 LYS HE3 H 1 2.960 0.02 . 2 . . . . . . . . 5685 1 76 . 1 1 9 9 LYS C C 13 176.800 0.05 . 1 . . . . . . . . 5685 1 77 . 1 1 10 10 THR N N 15 115.180 0.05 . 1 . . . . . . . . 5685 1 78 . 1 1 10 10 THR H H 1 8.240 0.02 . 1 . . . . . . . . 5685 1 79 . 1 1 10 10 THR CA C 13 61.690 0.05 . 1 . . . . . . . . 5685 1 80 . 1 1 10 10 THR HA H 1 4.390 0.02 . 1 . . . . . . . . 5685 1 81 . 1 1 10 10 THR CB C 13 70.030 0.05 . 1 . . . . . . . . 5685 1 82 . 1 1 10 10 THR HB H 1 4.170 0.02 . 1 . . . . . . . . 5685 1 83 . 1 1 10 10 THR CG2 C 13 21.690 0.05 . 1 . . . . . . . . 5685 1 84 . 1 1 10 10 THR HG21 H 1 1.160 0.02 . 1 . . . . . . . . 5685 1 85 . 1 1 10 10 THR HG22 H 1 1.160 0.02 . 1 . . . . . . . . 5685 1 86 . 1 1 10 10 THR HG23 H 1 1.160 0.02 . 1 . . . . . . . . 5685 1 87 . 1 1 10 10 THR C C 13 174.420 0.05 . 1 . . . . . . . . 5685 1 88 . 1 1 11 11 THR N N 15 118.800 0.05 . 1 . . . . . . . . 5685 1 89 . 1 1 11 11 THR H H 1 8.240 0.02 . 1 . . . . . . . . 5685 1 90 . 1 1 11 11 THR CA C 13 59.690 0.05 . 1 . . . . . . . . 5685 1 91 . 1 1 11 11 THR HA H 1 4.610 0.02 . 1 . . . . . . . . 5685 1 92 . 1 1 11 11 THR CB C 13 70.030 0.05 . 1 . . . . . . . . 5685 1 93 . 1 1 11 11 THR HB H 1 4.130 0.02 . 1 . . . . . . . . 5685 1 94 . 1 1 11 11 THR CG2 C 13 21.520 0.05 . 1 . . . . . . . . 5685 1 95 . 1 1 11 11 THR HG21 H 1 1.260 0.02 . 1 . . . . . . . . 5685 1 96 . 1 1 11 11 THR HG22 H 1 1.260 0.02 . 1 . . . . . . . . 5685 1 97 . 1 1 11 11 THR HG23 H 1 1.260 0.02 . 1 . . . . . . . . 5685 1 98 . 1 1 12 12 PRO CA C 13 63.300 0.05 . 1 . . . . . . . . 5685 1 99 . 1 1 12 12 PRO HA H 1 4.410 0.02 . 1 . . . . . . . . 5685 1 100 . 1 1 12 12 PRO CB C 13 32.240 0.05 . 1 . . . . . . . . 5685 1 101 . 1 1 12 12 PRO HB3 H 1 2.280 0.02 . 2 . . . . . . . . 5685 1 102 . 1 1 12 12 PRO HB2 H 1 1.890 0.02 . 2 . . . . . . . . 5685 1 103 . 1 1 12 12 PRO CG C 13 27.480 0.05 . 1 . . . . . . . . 5685 1 104 . 1 1 12 12 PRO HG3 H 1 2.000 0.02 . 2 . . . . . . . . 5685 1 105 . 1 1 12 12 PRO CD C 13 51.230 0.05 . 1 . . . . . . . . 5685 1 106 . 1 1 12 12 PRO HD3 H 1 3.850 0.02 . 2 . . . . . . . . 5685 1 107 . 1 1 12 12 PRO HD2 H 1 3.710 0.02 . 2 . . . . . . . . 5685 1 108 . 1 1 12 12 PRO C C 13 176.620 0.05 . 1 . . . . . . . . 5685 1 109 . 1 1 13 13 ASN N N 15 119.160 0.05 . 1 . . . . . . . . 5685 1 110 . 1 1 13 13 ASN H H 1 8.570 0.02 . 1 . . . . . . . . 5685 1 111 . 1 1 13 13 ASN CA C 13 53.330 0.05 . 1 . . . . . . . . 5685 1 112 . 1 1 13 13 ASN HA H 1 4.690 0.02 . 1 . . . . . . . . 5685 1 113 . 1 1 13 13 ASN CB C 13 39.090 0.05 . 1 . . . . . . . . 5685 1 114 . 1 1 13 13 ASN HB3 H 1 2.800 0.02 . 2 . . . . . . . . 5685 1 115 . 1 1 13 13 ASN ND2 N 15 113.400 0.05 . 1 . . . . . . . . 5685 1 116 . 1 1 13 13 ASN HD21 H 1 7.660 0.02 . 2 . . . . . . . . 5685 1 117 . 1 1 13 13 ASN HD22 H 1 6.750 0.02 . 2 . . . . . . . . 5685 1 118 . 1 1 13 13 ASN C C 13 175.360 0.05 . 1 . . . . . . . . 5685 1 119 . 1 1 14 14 SER N N 15 116.280 0.05 . 1 . . . . . . . . 5685 1 120 . 1 1 14 14 SER H H 1 8.320 0.02 . 1 . . . . . . . . 5685 1 121 . 1 1 14 14 SER CA C 13 58.740 0.05 . 1 . . . . . . . . 5685 1 122 . 1 1 14 14 SER HA H 1 4.400 0.02 . 1 . . . . . . . . 5685 1 123 . 1 1 14 14 SER CB C 13 63.810 0.05 . 1 . . . . . . . . 5685 1 124 . 1 1 14 14 SER HB3 H 1 3.860 0.02 . 2 . . . . . . . . 5685 1 125 . 1 1 14 14 SER C C 13 174.900 0.05 . 1 . . . . . . . . 5685 1 126 . 1 1 15 15 GLY N N 15 110.580 0.05 . 1 . . . . . . . . 5685 1 127 . 1 1 15 15 GLY H H 1 8.370 0.02 . 1 . . . . . . . . 5685 1 128 . 1 1 15 15 GLY CA C 13 45.340 0.05 . 1 . . . . . . . . 5685 1 129 . 1 1 15 15 GLY HA3 H 1 3.940 0.02 . 2 . . . . . . . . 5685 1 130 . 1 1 15 15 GLY C C 13 173.830 0.05 . 1 . . . . . . . . 5685 1 131 . 1 1 16 16 ASP N N 15 120.460 0.05 . 1 . . . . . . . . 5685 1 132 . 1 1 16 16 ASP H H 1 8.160 0.02 . 1 . . . . . . . . 5685 1 133 . 1 1 16 16 ASP CA C 13 54.900 0.05 . 1 . . . . . . . . 5685 1 134 . 1 1 16 16 ASP HA H 1 4.610 0.02 . 1 . . . . . . . . 5685 1 135 . 1 1 16 16 ASP CB C 13 41.380 0.05 . 1 . . . . . . . . 5685 1 136 . 1 1 16 16 ASP HB3 H 1 2.670 0.02 . 2 . . . . . . . . 5685 1 137 . 1 1 16 16 ASP HB2 H 1 2.560 0.02 . 2 . . . . . . . . 5685 1 138 . 1 1 16 16 ASP C C 13 176.430 0.05 . 1 . . . . . . . . 5685 1 139 . 1 1 17 17 VAL N N 15 120.090 0.05 . 1 . . . . . . . . 5685 1 140 . 1 1 17 17 VAL H H 1 8.020 0.02 . 1 . . . . . . . . 5685 1 141 . 1 1 17 17 VAL CA C 13 62.470 0.05 . 1 . . . . . . . . 5685 1 142 . 1 1 17 17 VAL HA H 1 4.080 0.02 . 1 . . . . . . . . 5685 1 143 . 1 1 17 17 VAL CB C 13 33.040 0.05 . 1 . . . . . . . . 5685 1 144 . 1 1 17 17 VAL HB H 1 1.880 0.02 . 1 . . . . . . . . 5685 1 145 . 1 1 17 17 VAL CG2 C 13 21.580 0.05 . 1 . . . . . . . . 5685 1 146 . 1 1 17 17 VAL HG21 H 1 0.970 0.02 . 1 . . . . . . . . 5685 1 147 . 1 1 17 17 VAL HG22 H 1 0.970 0.02 . 1 . . . . . . . . 5685 1 148 . 1 1 17 17 VAL HG23 H 1 0.970 0.02 . 1 . . . . . . . . 5685 1 149 . 1 1 17 17 VAL CG1 C 13 21.430 0.05 . 1 . . . . . . . . 5685 1 150 . 1 1 17 17 VAL HG11 H 1 0.970 0.02 . 1 . . . . . . . . 5685 1 151 . 1 1 17 17 VAL HG12 H 1 0.970 0.02 . 1 . . . . . . . . 5685 1 152 . 1 1 17 17 VAL HG13 H 1 0.970 0.02 . 1 . . . . . . . . 5685 1 153 . 1 1 17 17 VAL C C 13 175.180 0.05 . 1 . . . . . . . . 5685 1 154 . 1 1 18 18 GLN N N 15 122.970 0.05 . 1 . . . . . . . . 5685 1 155 . 1 1 18 18 GLN H H 1 8.200 0.02 . 1 . . . . . . . . 5685 1 156 . 1 1 18 18 GLN CA C 13 54.990 0.05 . 1 . . . . . . . . 5685 1 157 . 1 1 18 18 GLN HA H 1 4.430 0.02 . 1 . . . . . . . . 5685 1 158 . 1 1 18 18 GLN CB C 13 30.980 0.05 . 1 . . . . . . . . 5685 1 159 . 1 1 18 18 GLN HB3 H 1 2.000 0.02 . 2 . . . . . . . . 5685 1 160 . 1 1 18 18 GLN HB2 H 1 1.900 0.02 . 2 . . . . . . . . 5685 1 161 . 1 1 18 18 GLN CG C 13 34.050 0.05 . 1 . . . . . . . . 5685 1 162 . 1 1 18 18 GLN HG3 H 1 2.340 0.02 . 1 . . . . . . . . 5685 1 163 . 1 1 18 18 GLN HG2 H 1 2.340 0.02 . 1 . . . . . . . . 5685 1 164 . 1 1 18 18 GLN NE2 N 15 112.960 0.05 . 1 . . . . . . . . 5685 1 165 . 1 1 18 18 GLN HE21 H 1 7.550 0.02 . 2 . . . . . . . . 5685 1 166 . 1 1 18 18 GLN HE22 H 1 6.800 0.02 . 2 . . . . . . . . 5685 1 167 . 1 1 18 18 GLN C C 13 175.520 0.05 . 1 . . . . . . . . 5685 1 168 . 1 1 19 19 VAL N N 15 124.150 0.05 . 1 . . . . . . . . 5685 1 169 . 1 1 19 19 VAL H H 1 8.890 0.02 . 1 . . . . . . . . 5685 1 170 . 1 1 19 19 VAL CA C 13 62.160 0.05 . 1 . . . . . . . . 5685 1 171 . 1 1 19 19 VAL HA H 1 3.630 0.02 . 1 . . . . . . . . 5685 1 172 . 1 1 19 19 VAL CB C 13 29.670 0.05 . 1 . . . . . . . . 5685 1 173 . 1 1 19 19 VAL HB H 1 1.920 0.02 . 1 . . . . . . . . 5685 1 174 . 1 1 19 19 VAL CG2 C 13 20.980 0.05 . 1 . . . . . . . . 5685 1 175 . 1 1 19 19 VAL HG21 H 1 0.700 0.02 . 2 . . . . . . . . 5685 1 176 . 1 1 19 19 VAL HG22 H 1 0.700 0.02 . 2 . . . . . . . . 5685 1 177 . 1 1 19 19 VAL HG23 H 1 0.700 0.02 . 2 . . . . . . . . 5685 1 178 . 1 1 19 19 VAL CG1 C 13 21.580 0.05 . 1 . . . . . . . . 5685 1 179 . 1 1 19 19 VAL HG11 H 1 0.070 0.02 . 2 . . . . . . . . 5685 1 180 . 1 1 19 19 VAL HG12 H 1 0.070 0.02 . 2 . . . . . . . . 5685 1 181 . 1 1 19 19 VAL HG13 H 1 0.070 0.02 . 2 . . . . . . . . 5685 1 182 . 1 1 19 19 VAL C C 13 174.240 0.05 . 1 . . . . . . . . 5685 1 183 . 1 1 20 20 THR N N 15 113.100 0.05 . 1 . . . . . . . . 5685 1 184 . 1 1 20 20 THR H H 1 6.630 0.02 . 1 . . . . . . . . 5685 1 185 . 1 1 20 20 THR CA C 13 58.520 0.05 . 1 . . . . . . . . 5685 1 186 . 1 1 20 20 THR HA H 1 4.600 0.02 . 1 . . . . . . . . 5685 1 187 . 1 1 20 20 THR CB C 13 72.490 0.05 . 1 . . . . . . . . 5685 1 188 . 1 1 20 20 THR HB H 1 4.520 0.02 . 1 . . . . . . . . 5685 1 189 . 1 1 20 20 THR CG2 C 13 21.970 0.05 . 1 . . . . . . . . 5685 1 190 . 1 1 20 20 THR HG21 H 1 1.080 0.02 . 1 . . . . . . . . 5685 1 191 . 1 1 20 20 THR HG22 H 1 1.080 0.02 . 1 . . . . . . . . 5685 1 192 . 1 1 20 20 THR HG23 H 1 1.080 0.02 . 1 . . . . . . . . 5685 1 193 . 1 1 20 20 THR C C 13 174.480 0.05 . 1 . . . . . . . . 5685 1 194 . 1 1 21 21 GLU N N 15 122.350 0.05 . 1 . . . . . . . . 5685 1 195 . 1 1 21 21 GLU H H 1 9.120 0.02 . 1 . . . . . . . . 5685 1 196 . 1 1 21 21 GLU CA C 13 60.130 0.05 . 1 . . . . . . . . 5685 1 197 . 1 1 21 21 GLU HA H 1 3.770 0.02 . 1 . . . . . . . . 5685 1 198 . 1 1 21 21 GLU CB C 13 30.090 0.05 . 1 . . . . . . . . 5685 1 199 . 1 1 21 21 GLU HB3 H 1 2.040 0.02 . 2 . . . . . . . . 5685 1 200 . 1 1 21 21 GLU CG C 13 36.950 0.05 . 1 . . . . . . . . 5685 1 201 . 1 1 21 21 GLU HG3 H 1 2.140 0.02 . 2 . . . . . . . . 5685 1 202 . 1 1 21 21 GLU C C 13 177.580 0.05 . 1 . . . . . . . . 5685 1 203 . 1 1 22 22 ASP N N 15 116.630 0.05 . 1 . . . . . . . . 5685 1 204 . 1 1 22 22 ASP H H 1 8.390 0.02 . 1 . . . . . . . . 5685 1 205 . 1 1 22 22 ASP CA C 13 57.360 0.05 . 1 . . . . . . . . 5685 1 206 . 1 1 22 22 ASP HA H 1 4.270 0.02 . 1 . . . . . . . . 5685 1 207 . 1 1 22 22 ASP CB C 13 41.190 0.05 . 1 . . . . . . . . 5685 1 208 . 1 1 22 22 ASP HB3 H 1 2.530 0.02 . 2 . . . . . . . . 5685 1 209 . 1 1 22 22 ASP C C 13 177.880 0.05 . 1 . . . . . . . . 5685 1 210 . 1 1 23 23 ALA N N 15 121.620 0.05 . 1 . . . . . . . . 5685 1 211 . 1 1 23 23 ALA H H 1 7.910 0.02 . 1 . . . . . . . . 5685 1 212 . 1 1 23 23 ALA CA C 13 55.000 0.05 . 1 . . . . . . . . 5685 1 213 . 1 1 23 23 ALA HA H 1 3.950 0.02 . 1 . . . . . . . . 5685 1 214 . 1 1 23 23 ALA CB C 13 19.000 0.05 . 1 . . . . . . . . 5685 1 215 . 1 1 23 23 ALA HB1 H 1 1.650 0.02 . 1 . . . . . . . . 5685 1 216 . 1 1 23 23 ALA HB2 H 1 1.650 0.02 . 1 . . . . . . . . 5685 1 217 . 1 1 23 23 ALA HB3 H 1 1.650 0.02 . 1 . . . . . . . . 5685 1 218 . 1 1 23 23 ALA C C 13 179.590 0.05 . 1 . . . . . . . . 5685 1 219 . 1 1 24 24 VAL N N 15 116.560 0.05 . 1 . . . . . . . . 5685 1 220 . 1 1 24 24 VAL H H 1 7.890 0.02 . 1 . . . . . . . . 5685 1 221 . 1 1 24 24 VAL CA C 13 67.680 0.05 . 1 . . . . . . . . 5685 1 222 . 1 1 24 24 VAL HA H 1 3.680 0.02 . 1 . . . . . . . . 5685 1 223 . 1 1 24 24 VAL CB C 13 31.690 0.05 . 1 . . . . . . . . 5685 1 224 . 1 1 24 24 VAL HB H 1 1.970 0.02 . 1 . . . . . . . . 5685 1 225 . 1 1 24 24 VAL CG2 C 13 24.420 0.05 . 1 . . . . . . . . 5685 1 226 . 1 1 24 24 VAL HG21 H 1 0.940 0.02 . 2 . . . . . . . . 5685 1 227 . 1 1 24 24 VAL HG22 H 1 0.940 0.02 . 2 . . . . . . . . 5685 1 228 . 1 1 24 24 VAL HG23 H 1 0.940 0.02 . 2 . . . . . . . . 5685 1 229 . 1 1 24 24 VAL CG1 C 13 22.650 0.05 . 1 . . . . . . . . 5685 1 230 . 1 1 24 24 VAL HG11 H 1 0.790 0.02 . 2 . . . . . . . . 5685 1 231 . 1 1 24 24 VAL HG12 H 1 0.790 0.02 . 2 . . . . . . . . 5685 1 232 . 1 1 24 24 VAL HG13 H 1 0.790 0.02 . 2 . . . . . . . . 5685 1 233 . 1 1 24 24 VAL C C 13 177.380 0.05 . 1 . . . . . . . . 5685 1 234 . 1 1 25 25 ARG N N 15 119.390 0.05 . 1 . . . . . . . . 5685 1 235 . 1 1 25 25 ARG H H 1 8.780 0.02 . 1 . . . . . . . . 5685 1 236 . 1 1 25 25 ARG CA C 13 60.150 0.05 . 1 . . . . . . . . 5685 1 237 . 1 1 25 25 ARG HA H 1 3.670 0.02 . 1 . . . . . . . . 5685 1 238 . 1 1 25 25 ARG CB C 13 30.250 0.05 . 1 . . . . . . . . 5685 1 239 . 1 1 25 25 ARG HB3 H 1 1.840 0.02 . 2 . . . . . . . . 5685 1 240 . 1 1 25 25 ARG CG C 13 28.010 0.05 . 1 . . . . . . . . 5685 1 241 . 1 1 25 25 ARG HG3 H 1 1.520 0.02 . 2 . . . . . . . . 5685 1 242 . 1 1 25 25 ARG HG2 H 1 1.420 0.02 . 2 . . . . . . . . 5685 1 243 . 1 1 25 25 ARG CD C 13 43.140 0.05 . 1 . . . . . . . . 5685 1 244 . 1 1 25 25 ARG HD3 H 1 3.260 0.02 . 2 . . . . . . . . 5685 1 245 . 1 1 25 25 ARG HD2 H 1 3.170 0.02 . 2 . . . . . . . . 5685 1 246 . 1 1 25 25 ARG C C 13 178.610 0.05 . 1 . . . . . . . . 5685 1 247 . 1 1 26 26 ARG N N 15 119.180 0.05 . 1 . . . . . . . . 5685 1 248 . 1 1 26 26 ARG H H 1 7.950 0.02 . 1 . . . . . . . . 5685 1 249 . 1 1 26 26 ARG CA C 13 59.710 0.05 . 1 . . . . . . . . 5685 1 250 . 1 1 26 26 ARG HA H 1 3.860 0.02 . 1 . . . . . . . . 5685 1 251 . 1 1 26 26 ARG CB C 13 29.790 0.05 . 1 . . . . . . . . 5685 1 252 . 1 1 26 26 ARG HB3 H 1 1.730 0.02 . 2 . . . . . . . . 5685 1 253 . 1 1 26 26 ARG CG C 13 27.980 0.05 . 1 . . . . . . . . 5685 1 254 . 1 1 26 26 ARG HG3 H 1 1.630 0.02 . 2 . . . . . . . . 5685 1 255 . 1 1 26 26 ARG HG2 H 1 1.380 0.02 . 2 . . . . . . . . 5685 1 256 . 1 1 26 26 ARG CD C 13 43.460 0.05 . 1 . . . . . . . . 5685 1 257 . 1 1 26 26 ARG HD3 H 1 3.080 0.02 . 2 . . . . . . . . 5685 1 258 . 1 1 26 26 ARG HD2 H 1 3.000 0.02 . 2 . . . . . . . . 5685 1 259 . 1 1 26 26 ARG C C 13 179.300 0.05 . 1 . . . . . . . . 5685 1 260 . 1 1 27 27 TYR N N 15 116.970 0.05 . 1 . . . . . . . . 5685 1 261 . 1 1 27 27 TYR H H 1 7.650 0.02 . 1 . . . . . . . . 5685 1 262 . 1 1 27 27 TYR CA C 13 61.390 0.05 . 1 . . . . . . . . 5685 1 263 . 1 1 27 27 TYR HA H 1 4.520 0.02 . 1 . . . . . . . . 5685 1 264 . 1 1 27 27 TYR CB C 13 37.810 0.05 . 1 . . . . . . . . 5685 1 265 . 1 1 27 27 TYR HB3 H 1 3.370 0.02 . 2 . . . . . . . . 5685 1 266 . 1 1 27 27 TYR HB2 H 1 2.950 0.02 . 2 . . . . . . . . 5685 1 267 . 1 1 27 27 TYR CD1 C 13 131.870 0.05 . 3 . . . . . . . . 5685 1 268 . 1 1 27 27 TYR HD1 H 1 7.130 0.02 . 3 . . . . . . . . 5685 1 269 . 1 1 27 27 TYR CE1 C 13 117.700 0.05 . 3 . . . . . . . . 5685 1 270 . 1 1 27 27 TYR HE1 H 1 6.630 0.02 . 3 . . . . . . . . 5685 1 271 . 1 1 27 27 TYR C C 13 178.260 0.05 . 1 . . . . . . . . 5685 1 272 . 1 1 28 28 LEU N N 15 115.180 0.05 . 1 . . . . . . . . 5685 1 273 . 1 1 28 28 LEU H H 1 8.230 0.02 . 1 . . . . . . . . 5685 1 274 . 1 1 28 28 LEU CA C 13 56.650 0.05 . 1 . . . . . . . . 5685 1 275 . 1 1 28 28 LEU HA H 1 4.550 0.02 . 1 . . . . . . . . 5685 1 276 . 1 1 28 28 LEU CB C 13 42.530 0.05 . 1 . . . . . . . . 5685 1 277 . 1 1 28 28 LEU HB3 H 1 1.830 0.02 . 2 . . . . . . . . 5685 1 278 . 1 1 28 28 LEU HB2 H 1 1.340 0.02 . 2 . . . . . . . . 5685 1 279 . 1 1 28 28 LEU CG C 13 26.460 0.05 . 1 . . . . . . . . 5685 1 280 . 1 1 28 28 LEU HG H 1 2.050 0.02 . 1 . . . . . . . . 5685 1 281 . 1 1 28 28 LEU CD1 C 13 26.460 0.05 . 1 . . . . . . . . 5685 1 282 . 1 1 28 28 LEU HD11 H 1 0.660 0.02 . 2 . . . . . . . . 5685 1 283 . 1 1 28 28 LEU HD12 H 1 0.660 0.02 . 2 . . . . . . . . 5685 1 284 . 1 1 28 28 LEU HD13 H 1 0.660 0.02 . 2 . . . . . . . . 5685 1 285 . 1 1 28 28 LEU CD2 C 13 23.730 0.05 . 1 . . . . . . . . 5685 1 286 . 1 1 28 28 LEU HD21 H 1 0.940 0.02 . 2 . . . . . . . . 5685 1 287 . 1 1 28 28 LEU HD22 H 1 0.940 0.02 . 2 . . . . . . . . 5685 1 288 . 1 1 28 28 LEU HD23 H 1 0.940 0.02 . 2 . . . . . . . . 5685 1 289 . 1 1 28 28 LEU C C 13 178.440 0.05 . 1 . . . . . . . . 5685 1 290 . 1 1 29 29 THR N N 15 111.730 0.05 . 1 . . . . . . . . 5685 1 291 . 1 1 29 29 THR H H 1 7.980 0.02 . 1 . . . . . . . . 5685 1 292 . 1 1 29 29 THR CA C 13 63.460 0.05 . 1 . . . . . . . . 5685 1 293 . 1 1 29 29 THR HA H 1 4.520 0.02 . 1 . . . . . . . . 5685 1 294 . 1 1 29 29 THR CB C 13 69.630 0.05 . 1 . . . . . . . . 5685 1 295 . 1 1 29 29 THR HB H 1 4.160 0.02 . 1 . . . . . . . . 5685 1 296 . 1 1 29 29 THR CG2 C 13 21.950 0.05 . 1 . . . . . . . . 5685 1 297 . 1 1 29 29 THR HG21 H 1 1.170 0.02 . 1 . . . . . . . . 5685 1 298 . 1 1 29 29 THR HG22 H 1 1.170 0.02 . 1 . . . . . . . . 5685 1 299 . 1 1 29 29 THR HG23 H 1 1.170 0.02 . 1 . . . . . . . . 5685 1 300 . 1 1 29 29 THR C C 13 175.910 0.05 . 1 . . . . . . . . 5685 1 301 . 1 1 30 30 ARG N N 15 122.330 0.05 . 1 . . . . . . . . 5685 1 302 . 1 1 30 30 ARG H H 1 7.450 0.02 . 1 . . . . . . . . 5685 1 303 . 1 1 30 30 ARG CA C 13 58.500 0.05 . 1 . . . . . . . . 5685 1 304 . 1 1 30 30 ARG HA H 1 4.180 0.02 . 1 . . . . . . . . 5685 1 305 . 1 1 30 30 ARG CB C 13 31.020 0.05 . 1 . . . . . . . . 5685 1 306 . 1 1 30 30 ARG HB3 H 1 2.050 0.02 . 2 . . . . . . . . 5685 1 307 . 1 1 30 30 ARG CG C 13 27.310 0.05 . 1 . . . . . . . . 5685 1 308 . 1 1 30 30 ARG HG3 H 1 1.830 0.02 . 2 . . . . . . . . 5685 1 309 . 1 1 30 30 ARG HG2 H 1 1.710 0.02 . 2 . . . . . . . . 5685 1 310 . 1 1 30 30 ARG CD C 13 43.550 0.05 . 1 . . . . . . . . 5685 1 311 . 1 1 30 30 ARG HD3 H 1 3.240 0.02 . 2 . . . . . . . . 5685 1 312 . 1 1 30 30 ARG C C 13 176.710 0.05 . 1 . . . . . . . . 5685 1 313 . 1 1 31 31 LYS N N 15 116.850 0.05 . 1 . . . . . . . . 5685 1 314 . 1 1 31 31 LYS H H 1 7.750 0.02 . 1 . . . . . . . . 5685 1 315 . 1 1 31 31 LYS CA C 13 54.440 0.05 . 1 . . . . . . . . 5685 1 316 . 1 1 31 31 LYS HA H 1 4.710 0.02 . 1 . . . . . . . . 5685 1 317 . 1 1 31 31 LYS CB C 13 33.450 0.05 . 1 . . . . . . . . 5685 1 318 . 1 1 31 31 LYS HB3 H 1 1.880 0.02 . 2 . . . . . . . . 5685 1 319 . 1 1 31 31 LYS HB2 H 1 1.800 0.02 . 2 . . . . . . . . 5685 1 320 . 1 1 31 31 LYS CG C 13 25.390 0.05 . 1 . . . . . . . . 5685 1 321 . 1 1 31 31 LYS HG3 H 1 1.500 0.02 . 2 . . . . . . . . 5685 1 322 . 1 1 31 31 LYS HG2 H 1 1.370 0.02 . 2 . . . . . . . . 5685 1 323 . 1 1 31 31 LYS HD3 H 1 1.730 0.02 . 2 . . . . . . . . 5685 1 324 . 1 1 31 31 LYS HE3 H 1 2.800 0.02 . 2 . . . . . . . . 5685 1 325 . 1 1 32 32 PRO CA C 13 62.370 0.05 . 1 . . . . . . . . 5685 1 326 . 1 1 32 32 PRO HA H 1 4.980 0.02 . 1 . . . . . . . . 5685 1 327 . 1 1 32 32 PRO CB C 13 31.950 0.05 . 1 . . . . . . . . 5685 1 328 . 1 1 32 32 PRO HB3 H 1 1.980 0.02 . 2 . . . . . . . . 5685 1 329 . 1 1 32 32 PRO HB2 H 1 1.700 0.02 . 2 . . . . . . . . 5685 1 330 . 1 1 32 32 PRO CG C 13 28.050 0.05 . 1 . . . . . . . . 5685 1 331 . 1 1 32 32 PRO HG3 H 1 1.970 0.02 . 2 . . . . . . . . 5685 1 332 . 1 1 32 32 PRO HG2 H 1 1.830 0.02 . 2 . . . . . . . . 5685 1 333 . 1 1 32 32 PRO CD C 13 50.410 0.05 . 1 . . . . . . . . 5685 1 334 . 1 1 32 32 PRO HD3 H 1 3.850 0.02 . 2 . . . . . . . . 5685 1 335 . 1 1 32 32 PRO HD2 H 1 3.550 0.02 . 2 . . . . . . . . 5685 1 336 . 1 1 32 32 PRO C C 13 177.940 0.05 . 1 . . . . . . . . 5685 1 337 . 1 1 33 33 MET N N 15 121.990 0.05 . 1 . . . . . . . . 5685 1 338 . 1 1 33 33 MET H H 1 8.950 0.02 . 1 . . . . . . . . 5685 1 339 . 1 1 33 33 MET CA C 13 54.670 0.05 . 1 . . . . . . . . 5685 1 340 . 1 1 33 33 MET HA H 1 5.210 0.02 . 1 . . . . . . . . 5685 1 341 . 1 1 33 33 MET CB C 13 38.240 0.05 . 1 . . . . . . . . 5685 1 342 . 1 1 33 33 MET HB3 H 1 2.190 0.02 . 2 . . . . . . . . 5685 1 343 . 1 1 33 33 MET HB2 H 1 1.840 0.02 . 2 . . . . . . . . 5685 1 344 . 1 1 33 33 MET CG C 13 32.340 0.05 . 1 . . . . . . . . 5685 1 345 . 1 1 33 33 MET HG3 H 1 2.830 0.02 . 2 . . . . . . . . 5685 1 346 . 1 1 33 33 MET HG2 H 1 2.730 0.02 . 2 . . . . . . . . 5685 1 347 . 1 1 33 33 MET CE C 13 17.680 0.05 . 1 . . . . . . . . 5685 1 348 . 1 1 33 33 MET HE1 H 1 1.780 0.02 . 1 . . . . . . . . 5685 1 349 . 1 1 33 33 MET HE2 H 1 1.780 0.02 . 1 . . . . . . . . 5685 1 350 . 1 1 33 33 MET HE3 H 1 1.780 0.02 . 1 . . . . . . . . 5685 1 351 . 1 1 33 33 MET C C 13 176.100 0.05 . 1 . . . . . . . . 5685 1 352 . 1 1 34 34 THR N N 15 114.070 0.05 . 1 . . . . . . . . 5685 1 353 . 1 1 34 34 THR H H 1 8.940 0.02 . 1 . . . . . . . . 5685 1 354 . 1 1 34 34 THR CA C 13 60.450 0.05 . 1 . . . . . . . . 5685 1 355 . 1 1 34 34 THR HA H 1 4.710 0.02 . 1 . . . . . . . . 5685 1 356 . 1 1 34 34 THR CB C 13 71.250 0.05 . 1 . . . . . . . . 5685 1 357 . 1 1 34 34 THR HB H 1 4.610 0.02 . 1 . . . . . . . . 5685 1 358 . 1 1 34 34 THR CG2 C 13 20.680 0.05 . 1 . . . . . . . . 5685 1 359 . 1 1 34 34 THR HG21 H 1 0.460 0.02 . 1 . . . . . . . . 5685 1 360 . 1 1 34 34 THR HG22 H 1 0.460 0.02 . 1 . . . . . . . . 5685 1 361 . 1 1 34 34 THR HG23 H 1 0.460 0.02 . 1 . . . . . . . . 5685 1 362 . 1 1 34 34 THR C C 13 175.740 0.05 . 1 . . . . . . . . 5685 1 363 . 1 1 35 35 THR N N 15 114.110 0.05 . 1 . . . . . . . . 5685 1 364 . 1 1 35 35 THR H H 1 9.110 0.02 . 1 . . . . . . . . 5685 1 365 . 1 1 35 35 THR CA C 13 66.780 0.05 . 1 . . . . . . . . 5685 1 366 . 1 1 35 35 THR HA H 1 3.770 0.02 . 1 . . . . . . . . 5685 1 367 . 1 1 35 35 THR CB C 13 67.510 0.05 . 1 . . . . . . . . 5685 1 368 . 1 1 35 35 THR HB H 1 4.170 0.02 . 1 . . . . . . . . 5685 1 369 . 1 1 35 35 THR CG2 C 13 24.740 0.05 . 1 . . . . . . . . 5685 1 370 . 1 1 35 35 THR HG21 H 1 1.320 0.02 . 1 . . . . . . . . 5685 1 371 . 1 1 35 35 THR HG22 H 1 1.320 0.02 . 1 . . . . . . . . 5685 1 372 . 1 1 35 35 THR HG23 H 1 1.320 0.02 . 1 . . . . . . . . 5685 1 373 . 1 1 35 35 THR C C 13 176.910 0.05 . 1 . . . . . . . . 5685 1 374 . 1 1 36 36 LYS N N 15 120.090 0.05 . 1 . . . . . . . . 5685 1 375 . 1 1 36 36 LYS H H 1 8.040 0.02 . 1 . . . . . . . . 5685 1 376 . 1 1 36 36 LYS CA C 13 60.600 0.05 . 1 . . . . . . . . 5685 1 377 . 1 1 36 36 LYS HA H 1 3.820 0.02 . 1 . . . . . . . . 5685 1 378 . 1 1 36 36 LYS CB C 13 32.500 0.05 . 1 . . . . . . . . 5685 1 379 . 1 1 36 36 LYS HB3 H 1 1.650 0.02 . 2 . . . . . . . . 5685 1 380 . 1 1 36 36 LYS CG C 13 26.220 0.05 . 1 . . . . . . . . 5685 1 381 . 1 1 36 36 LYS HG3 H 1 1.280 0.02 . 2 . . . . . . . . 5685 1 382 . 1 1 36 36 LYS HG2 H 1 1.360 0.02 . 2 . . . . . . . . 5685 1 383 . 1 1 36 36 LYS CD C 13 29.480 0.05 . 1 . . . . . . . . 5685 1 384 . 1 1 36 36 LYS HD3 H 1 1.650 0.02 . 2 . . . . . . . . 5685 1 385 . 1 1 36 36 LYS CE C 13 42.120 0.05 . 1 . . . . . . . . 5685 1 386 . 1 1 36 36 LYS HE3 H 1 2.830 0.02 . 2 . . . . . . . . 5685 1 387 . 1 1 36 36 LYS C C 13 178.060 0.05 . 1 . . . . . . . . 5685 1 388 . 1 1 37 37 ASP N N 15 119.160 0.05 . 1 . . . . . . . . 5685 1 389 . 1 1 37 37 ASP H H 1 7.810 0.02 . 1 . . . . . . . . 5685 1 390 . 1 1 37 37 ASP CA C 13 57.320 0.05 . 1 . . . . . . . . 5685 1 391 . 1 1 37 37 ASP HA H 1 4.180 0.02 . 1 . . . . . . . . 5685 1 392 . 1 1 37 37 ASP CB C 13 40.710 0.05 . 1 . . . . . . . . 5685 1 393 . 1 1 37 37 ASP HB3 H 1 2.910 0.02 . 2 . . . . . . . . 5685 1 394 . 1 1 37 37 ASP HB2 H 1 2.540 0.02 . 2 . . . . . . . . 5685 1 395 . 1 1 37 37 ASP C C 13 179.080 0.05 . 1 . . . . . . . . 5685 1 396 . 1 1 38 38 LEU N N 15 120.090 0.05 . 1 . . . . . . . . 5685 1 397 . 1 1 38 38 LEU H H 1 8.060 0.02 . 1 . . . . . . . . 5685 1 398 . 1 1 38 38 LEU CA C 13 57.890 0.05 . 1 . . . . . . . . 5685 1 399 . 1 1 38 38 LEU HA H 1 3.860 0.02 . 1 . . . . . . . . 5685 1 400 . 1 1 38 38 LEU CB C 13 42.580 0.05 . 1 . . . . . . . . 5685 1 401 . 1 1 38 38 LEU HB3 H 1 1.740 0.02 . 2 . . . . . . . . 5685 1 402 . 1 1 38 38 LEU HB2 H 1 1.700 0.02 . 2 . . . . . . . . 5685 1 403 . 1 1 38 38 LEU CG C 13 27.330 0.05 . 1 . . . . . . . . 5685 1 404 . 1 1 38 38 LEU HG H 1 1.740 0.02 . 1 . . . . . . . . 5685 1 405 . 1 1 38 38 LEU CD1 C 13 25.910 0.05 . 1 . . . . . . . . 5685 1 406 . 1 1 38 38 LEU HD11 H 1 0.930 0.02 . 2 . . . . . . . . 5685 1 407 . 1 1 38 38 LEU HD12 H 1 0.930 0.02 . 2 . . . . . . . . 5685 1 408 . 1 1 38 38 LEU HD13 H 1 0.930 0.02 . 2 . . . . . . . . 5685 1 409 . 1 1 38 38 LEU CD2 C 13 24.880 0.05 . 1 . . . . . . . . 5685 1 410 . 1 1 38 38 LEU HD21 H 1 1.010 0.02 . 2 . . . . . . . . 5685 1 411 . 1 1 38 38 LEU HD22 H 1 1.010 0.02 . 2 . . . . . . . . 5685 1 412 . 1 1 38 38 LEU HD23 H 1 1.010 0.02 . 2 . . . . . . . . 5685 1 413 . 1 1 38 38 LEU C C 13 178.530 0.05 . 1 . . . . . . . . 5685 1 414 . 1 1 39 39 LEU N N 15 118.500 0.05 . 1 . . . . . . . . 5685 1 415 . 1 1 39 39 LEU H H 1 8.220 0.02 . 1 . . . . . . . . 5685 1 416 . 1 1 39 39 LEU CA C 13 58.250 0.05 . 1 . . . . . . . . 5685 1 417 . 1 1 39 39 LEU HA H 1 3.850 0.02 . 1 . . . . . . . . 5685 1 418 . 1 1 39 39 LEU CB C 13 41.540 0.05 . 1 . . . . . . . . 5685 1 419 . 1 1 39 39 LEU HB3 H 1 1.960 0.02 . 2 . . . . . . . . 5685 1 420 . 1 1 39 39 LEU HB2 H 1 1.410 0.02 . 2 . . . . . . . . 5685 1 421 . 1 1 39 39 LEU CG C 13 27.510 0.05 . 1 . . . . . . . . 5685 1 422 . 1 1 39 39 LEU HG H 1 1.650 0.02 . 1 . . . . . . . . 5685 1 423 . 1 1 39 39 LEU CD1 C 13 26.370 0.05 . 1 . . . . . . . . 5685 1 424 . 1 1 39 39 LEU HD11 H 1 0.850 0.02 . 2 . . . . . . . . 5685 1 425 . 1 1 39 39 LEU HD12 H 1 0.850 0.02 . 2 . . . . . . . . 5685 1 426 . 1 1 39 39 LEU HD13 H 1 0.850 0.02 . 2 . . . . . . . . 5685 1 427 . 1 1 39 39 LEU CD2 C 13 24.380 0.05 . 1 . . . . . . . . 5685 1 428 . 1 1 39 39 LEU HD21 H 1 0.830 0.02 . 2 . . . . . . . . 5685 1 429 . 1 1 39 39 LEU HD22 H 1 0.830 0.02 . 2 . . . . . . . . 5685 1 430 . 1 1 39 39 LEU HD23 H 1 0.830 0.02 . 2 . . . . . . . . 5685 1 431 . 1 1 39 39 LEU C C 13 179.970 0.05 . 1 . . . . . . . . 5685 1 432 . 1 1 40 40 LYS N N 15 118.130 0.05 . 1 . . . . . . . . 5685 1 433 . 1 1 40 40 LYS H H 1 7.670 0.02 . 1 . . . . . . . . 5685 1 434 . 1 1 40 40 LYS CA C 13 58.780 0.05 . 1 . . . . . . . . 5685 1 435 . 1 1 40 40 LYS HA H 1 3.930 0.02 . 1 . . . . . . . . 5685 1 436 . 1 1 40 40 LYS CB C 13 32.530 0.05 . 1 . . . . . . . . 5685 1 437 . 1 1 40 40 LYS HB3 H 1 1.820 0.02 . 1 . . . . . . . . 5685 1 438 . 1 1 40 40 LYS HB2 H 1 1.820 0.02 . 1 . . . . . . . . 5685 1 439 . 1 1 40 40 LYS CG C 13 25.780 0.05 . 1 . . . . . . . . 5685 1 440 . 1 1 40 40 LYS HG3 H 1 1.390 0.02 . 2 . . . . . . . . 5685 1 441 . 1 1 40 40 LYS HG2 H 1 1.640 0.02 . 2 . . . . . . . . 5685 1 442 . 1 1 40 40 LYS CD C 13 29.530 0.05 . 1 . . . . . . . . 5685 1 443 . 1 1 40 40 LYS HD3 H 1 1.610 0.02 . 1 . . . . . . . . 5685 1 444 . 1 1 40 40 LYS HD2 H 1 1.610 0.02 . 1 . . . . . . . . 5685 1 445 . 1 1 40 40 LYS CE C 13 42.000 0.05 . 1 . . . . . . . . 5685 1 446 . 1 1 40 40 LYS HE3 H 1 2.870 0.02 . 1 . . . . . . . . 5685 1 447 . 1 1 40 40 LYS HE2 H 1 2.870 0.02 . 1 . . . . . . . . 5685 1 448 . 1 1 40 40 LYS C C 13 178.150 0.05 . 1 . . . . . . . . 5685 1 449 . 1 1 41 41 LYS N N 15 114.520 0.05 . 1 . . . . . . . . 5685 1 450 . 1 1 41 41 LYS H H 1 7.210 0.02 . 1 . . . . . . . . 5685 1 451 . 1 1 41 41 LYS CA C 13 54.890 0.05 . 1 . . . . . . . . 5685 1 452 . 1 1 41 41 LYS HA H 1 3.870 0.02 . 1 . . . . . . . . 5685 1 453 . 1 1 41 41 LYS CB C 13 31.100 0.05 . 1 . . . . . . . . 5685 1 454 . 1 1 41 41 LYS HB3 H 1 0.950 0.02 . 2 . . . . . . . . 5685 1 455 . 1 1 41 41 LYS HB2 H 1 1.100 0.02 . 2 . . . . . . . . 5685 1 456 . 1 1 41 41 LYS CG C 13 22.850 0.05 . 1 . . . . . . . . 5685 1 457 . 1 1 41 41 LYS HG3 H 1 -0.100 0.02 . 2 . . . . . . . . 5685 1 458 . 1 1 41 41 LYS HG2 H 1 1.100 0.02 . 2 . . . . . . . . 5685 1 459 . 1 1 41 41 LYS CD C 13 27.300 0.05 . 1 . . . . . . . . 5685 1 460 . 1 1 41 41 LYS HD3 H 1 1.250 0.02 . 1 . . . . . . . . 5685 1 461 . 1 1 41 41 LYS HD2 H 1 1.250 0.02 . 1 . . . . . . . . 5685 1 462 . 1 1 41 41 LYS CE C 13 42.090 0.05 . 1 . . . . . . . . 5685 1 463 . 1 1 41 41 LYS HE3 H 1 2.420 0.02 . 1 . . . . . . . . 5685 1 464 . 1 1 41 41 LYS HE2 H 1 2.420 0.02 . 1 . . . . . . . . 5685 1 465 . 1 1 41 41 LYS C C 13 176.530 0.05 . 1 . . . . . . . . 5685 1 466 . 1 1 42 42 PHE N N 15 119.770 0.05 . 1 . . . . . . . . 5685 1 467 . 1 1 42 42 PHE H H 1 7.460 0.02 . 1 . . . . . . . . 5685 1 468 . 1 1 42 42 PHE CA C 13 55.290 0.05 . 1 . . . . . . . . 5685 1 469 . 1 1 42 42 PHE HA H 1 4.660 0.02 . 1 . . . . . . . . 5685 1 470 . 1 1 42 42 PHE CB C 13 39.330 0.05 . 1 . . . . . . . . 5685 1 471 . 1 1 42 42 PHE HB3 H 1 2.560 0.02 . 2 . . . . . . . . 5685 1 472 . 1 1 42 42 PHE HB2 H 1 3.080 0.02 . 2 . . . . . . . . 5685 1 473 . 1 1 42 42 PHE CD1 C 13 132.600 0.05 . 3 . . . . . . . . 5685 1 474 . 1 1 42 42 PHE HD1 H 1 7.110 0.02 . 3 . . . . . . . . 5685 1 475 . 1 1 42 42 PHE CE1 C 13 130.400 0.05 . 3 . . . . . . . . 5685 1 476 . 1 1 42 42 PHE HE1 H 1 7.280 0.02 . 3 . . . . . . . . 5685 1 477 . 1 1 42 42 PHE CZ C 13 128.000 0.05 . 1 . . . . . . . . 5685 1 478 . 1 1 42 42 PHE HZ H 1 7.220 0.02 . 1 . . . . . . . . 5685 1 479 . 1 1 42 42 PHE C C 13 174.680 0.05 . 1 . . . . . . . . 5685 1 480 . 1 1 43 43 GLN N N 15 121.550 0.05 . 1 . . . . . . . . 5685 1 481 . 1 1 43 43 GLN H H 1 8.190 0.02 . 1 . . . . . . . . 5685 1 482 . 1 1 43 43 GLN CA C 13 56.400 0.05 . 1 . . . . . . . . 5685 1 483 . 1 1 43 43 GLN HA H 1 4.340 0.02 . 1 . . . . . . . . 5685 1 484 . 1 1 43 43 GLN CB C 13 29.260 0.05 . 1 . . . . . . . . 5685 1 485 . 1 1 43 43 GLN HB3 H 1 1.890 0.02 . 2 . . . . . . . . 5685 1 486 . 1 1 43 43 GLN HB2 H 1 2.280 0.02 . 2 . . . . . . . . 5685 1 487 . 1 1 43 43 GLN CG C 13 34.320 0.05 . 1 . . . . . . . . 5685 1 488 . 1 1 43 43 GLN HG3 H 1 2.470 0.02 . 1 . . . . . . . . 5685 1 489 . 1 1 43 43 GLN HG2 H 1 2.470 0.02 . 1 . . . . . . . . 5685 1 490 . 1 1 43 43 GLN NE2 N 15 112.240 0.05 . 1 . . . . . . . . 5685 1 491 . 1 1 43 43 GLN HE21 H 1 7.640 0.02 . 2 . . . . . . . . 5685 1 492 . 1 1 43 43 GLN HE22 H 1 6.950 0.02 . 2 . . . . . . . . 5685 1 493 . 1 1 43 43 GLN C C 13 178.420 0.05 . 1 . . . . . . . . 5685 1 494 . 1 1 44 44 THR N N 15 119.380 0.05 . 1 . . . . . . . . 5685 1 495 . 1 1 44 44 THR H H 1 9.110 0.02 . 1 . . . . . . . . 5685 1 496 . 1 1 44 44 THR CA C 13 64.900 0.05 . 1 . . . . . . . . 5685 1 497 . 1 1 44 44 THR HA H 1 4.320 0.02 . 1 . . . . . . . . 5685 1 498 . 1 1 44 44 THR CB C 13 68.700 0.05 . 1 . . . . . . . . 5685 1 499 . 1 1 44 44 THR HB H 1 4.440 0.02 . 1 . . . . . . . . 5685 1 500 . 1 1 44 44 THR CG2 C 13 21.590 0.05 . 1 . . . . . . . . 5685 1 501 . 1 1 44 44 THR HG21 H 1 1.180 0.02 . 1 . . . . . . . . 5685 1 502 . 1 1 44 44 THR HG22 H 1 1.180 0.02 . 1 . . . . . . . . 5685 1 503 . 1 1 44 44 THR HG23 H 1 1.180 0.02 . 1 . . . . . . . . 5685 1 504 . 1 1 44 44 THR C C 13 178.130 0.05 . 1 . . . . . . . . 5685 1 505 . 1 1 45 45 LYS N N 15 119.900 0.05 . 1 . . . . . . . . 5685 1 506 . 1 1 45 45 LYS H H 1 8.320 0.02 . 1 . . . . . . . . 5685 1 507 . 1 1 45 45 LYS CA C 13 58.280 0.05 . 1 . . . . . . . . 5685 1 508 . 1 1 45 45 LYS HA H 1 4.170 0.02 . 1 . . . . . . . . 5685 1 509 . 1 1 45 45 LYS CB C 13 32.280 0.05 . 1 . . . . . . . . 5685 1 510 . 1 1 45 45 LYS HB3 H 1 1.820 0.02 . 1 . . . . . . . . 5685 1 511 . 1 1 45 45 LYS HB2 H 1 1.820 0.02 . 1 . . . . . . . . 5685 1 512 . 1 1 45 45 LYS CG C 13 24.930 0.05 . 1 . . . . . . . . 5685 1 513 . 1 1 45 45 LYS HG3 H 1 1.420 0.02 . 1 . . . . . . . . 5685 1 514 . 1 1 45 45 LYS HG2 H 1 1.420 0.02 . 1 . . . . . . . . 5685 1 515 . 1 1 45 45 LYS CD C 13 29.140 0.05 . 1 . . . . . . . . 5685 1 516 . 1 1 45 45 LYS HD3 H 1 1.660 0.02 . 1 . . . . . . . . 5685 1 517 . 1 1 45 45 LYS HD2 H 1 1.660 0.02 . 1 . . . . . . . . 5685 1 518 . 1 1 45 45 LYS CE C 13 42.060 0.05 . 1 . . . . . . . . 5685 1 519 . 1 1 45 45 LYS HE3 H 1 2.960 0.02 . 1 . . . . . . . . 5685 1 520 . 1 1 45 45 LYS HE2 H 1 2.960 0.02 . 1 . . . . . . . . 5685 1 521 . 1 1 45 45 LYS C C 13 176.530 0.05 . 1 . . . . . . . . 5685 1 522 . 1 1 46 46 LYS N N 15 116.410 0.05 . 1 . . . . . . . . 5685 1 523 . 1 1 46 46 LYS H H 1 7.740 0.02 . 1 . . . . . . . . 5685 1 524 . 1 1 46 46 LYS CA C 13 56.760 0.05 . 1 . . . . . . . . 5685 1 525 . 1 1 46 46 LYS HA H 1 4.450 0.02 . 1 . . . . . . . . 5685 1 526 . 1 1 46 46 LYS CB C 13 33.430 0.05 . 1 . . . . . . . . 5685 1 527 . 1 1 46 46 LYS HB3 H 1 1.940 0.02 . 1 . . . . . . . . 5685 1 528 . 1 1 46 46 LYS HB2 H 1 1.940 0.02 . 1 . . . . . . . . 5685 1 529 . 1 1 46 46 LYS CG C 13 25.280 0.05 . 1 . . . . . . . . 5685 1 530 . 1 1 46 46 LYS HG3 H 1 1.350 0.02 . 2 . . . . . . . . 5685 1 531 . 1 1 46 46 LYS HG2 H 1 1.470 0.02 . 2 . . . . . . . . 5685 1 532 . 1 1 46 46 LYS CD C 13 28.690 0.05 . 1 . . . . . . . . 5685 1 533 . 1 1 46 46 LYS HD3 H 1 1.660 0.02 . 1 . . . . . . . . 5685 1 534 . 1 1 46 46 LYS HD2 H 1 1.660 0.02 . 1 . . . . . . . . 5685 1 535 . 1 1 46 46 LYS CE C 13 42.190 0.05 . 1 . . . . . . . . 5685 1 536 . 1 1 46 46 LYS HE3 H 1 2.950 0.02 . 1 . . . . . . . . 5685 1 537 . 1 1 46 46 LYS HE2 H 1 2.950 0.02 . 1 . . . . . . . . 5685 1 538 . 1 1 46 46 LYS C C 13 177.680 0.05 . 1 . . . . . . . . 5685 1 539 . 1 1 47 47 THR N N 15 109.610 0.05 . 1 . . . . . . . . 5685 1 540 . 1 1 47 47 THR H H 1 8.240 0.02 . 1 . . . . . . . . 5685 1 541 . 1 1 47 47 THR CA C 13 62.100 0.05 . 1 . . . . . . . . 5685 1 542 . 1 1 47 47 THR HA H 1 4.550 0.02 . 1 . . . . . . . . 5685 1 543 . 1 1 47 47 THR CB C 13 70.070 0.05 . 1 . . . . . . . . 5685 1 544 . 1 1 47 47 THR HB H 1 4.250 0.02 . 1 . . . . . . . . 5685 1 545 . 1 1 47 47 THR CG2 C 13 20.310 0.05 . 1 . . . . . . . . 5685 1 546 . 1 1 47 47 THR HG21 H 1 1.180 0.02 . 1 . . . . . . . . 5685 1 547 . 1 1 47 47 THR HG22 H 1 1.180 0.02 . 1 . . . . . . . . 5685 1 548 . 1 1 47 47 THR HG23 H 1 1.180 0.02 . 1 . . . . . . . . 5685 1 549 . 1 1 47 47 THR C C 13 177.190 0.05 . 1 . . . . . . . . 5685 1 550 . 1 1 48 48 GLY N N 15 110.280 0.05 . 1 . . . . . . . . 5685 1 551 . 1 1 48 48 GLY H H 1 8.290 0.02 . 1 . . . . . . . . 5685 1 552 . 1 1 48 48 GLY CA C 13 45.870 0.05 . 1 . . . . . . . . 5685 1 553 . 1 1 48 48 GLY HA3 H 1 3.770 0.02 . 2 . . . . . . . . 5685 1 554 . 1 1 48 48 GLY HA2 H 1 4.130 0.02 . 2 . . . . . . . . 5685 1 555 . 1 1 48 48 GLY C C 13 174.050 0.05 . 1 . . . . . . . . 5685 1 556 . 1 1 49 49 LEU N N 15 121.310 0.05 . 1 . . . . . . . . 5685 1 557 . 1 1 49 49 LEU H H 1 8.070 0.02 . 1 . . . . . . . . 5685 1 558 . 1 1 49 49 LEU CA C 13 53.930 0.05 . 1 . . . . . . . . 5685 1 559 . 1 1 49 49 LEU HA H 1 4.500 0.02 . 1 . . . . . . . . 5685 1 560 . 1 1 49 49 LEU CB C 13 43.590 0.05 . 1 . . . . . . . . 5685 1 561 . 1 1 49 49 LEU HB3 H 1 1.540 0.02 . 1 . . . . . . . . 5685 1 562 . 1 1 49 49 LEU HB2 H 1 1.540 0.02 . 1 . . . . . . . . 5685 1 563 . 1 1 49 49 LEU CG C 13 27.250 0.05 . 1 . . . . . . . . 5685 1 564 . 1 1 49 49 LEU HG H 1 1.440 0.02 . 1 . . . . . . . . 5685 1 565 . 1 1 49 49 LEU CD1 C 13 25.270 0.05 . 1 . . . . . . . . 5685 1 566 . 1 1 49 49 LEU HD11 H 1 0.770 0.02 . 1 . . . . . . . . 5685 1 567 . 1 1 49 49 LEU HD12 H 1 0.770 0.02 . 1 . . . . . . . . 5685 1 568 . 1 1 49 49 LEU HD13 H 1 0.770 0.02 . 1 . . . . . . . . 5685 1 569 . 1 1 49 49 LEU CD2 C 13 22.530 0.05 . 1 . . . . . . . . 5685 1 570 . 1 1 49 49 LEU HD21 H 1 0.770 0.02 . 1 . . . . . . . . 5685 1 571 . 1 1 49 49 LEU HD22 H 1 0.770 0.02 . 1 . . . . . . . . 5685 1 572 . 1 1 49 49 LEU HD23 H 1 0.770 0.02 . 1 . . . . . . . . 5685 1 573 . 1 1 49 49 LEU C C 13 177.190 0.05 . 1 . . . . . . . . 5685 1 574 . 1 1 50 50 SER N N 15 114.790 0.05 . 1 . . . . . . . . 5685 1 575 . 1 1 50 50 SER H H 1 8.590 0.02 . 1 . . . . . . . . 5685 1 576 . 1 1 50 50 SER CA C 13 56.900 0.05 . 1 . . . . . . . . 5685 1 577 . 1 1 50 50 SER HA H 1 4.620 0.02 . 1 . . . . . . . . 5685 1 578 . 1 1 50 50 SER CB C 13 65.510 0.05 . 1 . . . . . . . . 5685 1 579 . 1 1 50 50 SER HB3 H 1 4.050 0.02 . 2 . . . . . . . . 5685 1 580 . 1 1 50 50 SER HB2 H 1 4.460 0.02 . 2 . . . . . . . . 5685 1 581 . 1 1 50 50 SER C C 13 177.470 0.05 . 1 . . . . . . . . 5685 1 582 . 1 1 51 51 SER N N 15 121.620 0.05 . 1 . . . . . . . . 5685 1 583 . 1 1 51 51 SER H H 1 9.520 0.02 . 1 . . . . . . . . 5685 1 584 . 1 1 51 51 SER CA C 13 62.400 0.05 . 1 . . . . . . . . 5685 1 585 . 1 1 51 51 SER HA H 1 4.220 0.02 . 1 . . . . . . . . 5685 1 586 . 1 1 51 51 SER CB C 13 62.400 0.05 . 1 . . . . . . . . 5685 1 587 . 1 1 51 51 SER HB3 H 1 3.940 0.02 . 1 . . . . . . . . 5685 1 588 . 1 1 51 51 SER HB2 H 1 3.940 0.02 . 1 . . . . . . . . 5685 1 589 . 1 1 51 51 SER C C 13 176.130 0.05 . 1 . . . . . . . . 5685 1 590 . 1 1 52 52 GLU N N 15 121.260 0.05 . 1 . . . . . . . . 5685 1 591 . 1 1 52 52 GLU H H 1 8.570 0.02 . 1 . . . . . . . . 5685 1 592 . 1 1 52 52 GLU CA C 13 59.880 0.05 . 1 . . . . . . . . 5685 1 593 . 1 1 52 52 GLU HA H 1 3.950 0.02 . 1 . . . . . . . . 5685 1 594 . 1 1 52 52 GLU CB C 13 29.540 0.05 . 1 . . . . . . . . 5685 1 595 . 1 1 52 52 GLU HB3 H 1 1.350 0.02 . 2 . . . . . . . . 5685 1 596 . 1 1 52 52 GLU HB2 H 1 1.880 0.02 . 2 . . . . . . . . 5685 1 597 . 1 1 52 52 GLU CG C 13 36.500 0.05 . 1 . . . . . . . . 5685 1 598 . 1 1 52 52 GLU HG3 H 1 2.260 0.02 . 1 . . . . . . . . 5685 1 599 . 1 1 52 52 GLU HG2 H 1 2.260 0.02 . 1 . . . . . . . . 5685 1 600 . 1 1 52 52 GLU C C 13 179.190 0.05 . 1 . . . . . . . . 5685 1 601 . 1 1 53 53 GLN N N 15 118.600 0.05 . 1 . . . . . . . . 5685 1 602 . 1 1 53 53 GLN H H 1 7.940 0.02 . 1 . . . . . . . . 5685 1 603 . 1 1 53 53 GLN CA C 13 58.540 0.05 . 1 . . . . . . . . 5685 1 604 . 1 1 53 53 GLN HA H 1 4.080 0.02 . 1 . . . . . . . . 5685 1 605 . 1 1 53 53 GLN CB C 13 29.580 0.05 . 1 . . . . . . . . 5685 1 606 . 1 1 53 53 GLN HB3 H 1 1.970 0.02 . 2 . . . . . . . . 5685 1 607 . 1 1 53 53 GLN HB2 H 1 2.250 0.02 . 2 . . . . . . . . 5685 1 608 . 1 1 53 53 GLN CG C 13 34.310 0.05 . 1 . . . . . . . . 5685 1 609 . 1 1 53 53 GLN HG3 H 1 2.440 0.02 . 1 . . . . . . . . 5685 1 610 . 1 1 53 53 GLN HG2 H 1 2.440 0.02 . 1 . . . . . . . . 5685 1 611 . 1 1 53 53 GLN NE2 N 15 111.420 0.05 . 1 . . . . . . . . 5685 1 612 . 1 1 53 53 GLN HE21 H 1 7.480 0.02 . 2 . . . . . . . . 5685 1 613 . 1 1 53 53 GLN HE22 H 1 6.830 0.02 . 2 . . . . . . . . 5685 1 614 . 1 1 53 53 GLN C C 13 178.160 0.05 . 1 . . . . . . . . 5685 1 615 . 1 1 54 54 THR N N 15 116.410 0.05 . 1 . . . . . . . . 5685 1 616 . 1 1 54 54 THR H H 1 8.240 0.02 . 1 . . . . . . . . 5685 1 617 . 1 1 54 54 THR CA C 13 67.730 0.05 . 1 . . . . . . . . 5685 1 618 . 1 1 54 54 THR HA H 1 3.570 0.02 . 1 . . . . . . . . 5685 1 619 . 1 1 54 54 THR CB C 13 68.750 0.05 . 1 . . . . . . . . 5685 1 620 . 1 1 54 54 THR HB H 1 4.480 0.02 . 1 . . . . . . . . 5685 1 621 . 1 1 54 54 THR CG2 C 13 20.690 0.05 . 1 . . . . . . . . 5685 1 622 . 1 1 54 54 THR HG21 H 1 1.060 0.02 . 1 . . . . . . . . 5685 1 623 . 1 1 54 54 THR HG22 H 1 1.060 0.02 . 1 . . . . . . . . 5685 1 624 . 1 1 54 54 THR HG23 H 1 1.060 0.02 . 1 . . . . . . . . 5685 1 625 . 1 1 54 54 THR C C 13 175.180 0.05 . 1 . . . . . . . . 5685 1 626 . 1 1 55 55 VAL N N 15 119.640 0.05 . 1 . . . . . . . . 5685 1 627 . 1 1 55 55 VAL H H 1 7.640 0.02 . 1 . . . . . . . . 5685 1 628 . 1 1 55 55 VAL CA C 13 67.740 0.05 . 1 . . . . . . . . 5685 1 629 . 1 1 55 55 VAL HA H 1 3.310 0.02 . 1 . . . . . . . . 5685 1 630 . 1 1 55 55 VAL CB C 13 32.090 0.05 . 1 . . . . . . . . 5685 1 631 . 1 1 55 55 VAL HB H 1 2.090 0.02 . 1 . . . . . . . . 5685 1 632 . 1 1 55 55 VAL CG2 C 13 20.940 0.05 . 1 . . . . . . . . 5685 1 633 . 1 1 55 55 VAL HG21 H 1 0.830 0.02 . 2 . . . . . . . . 5685 1 634 . 1 1 55 55 VAL HG22 H 1 0.830 0.02 . 2 . . . . . . . . 5685 1 635 . 1 1 55 55 VAL HG23 H 1 0.830 0.02 . 2 . . . . . . . . 5685 1 636 . 1 1 55 55 VAL CG1 C 13 23.870 0.05 . 1 . . . . . . . . 5685 1 637 . 1 1 55 55 VAL HG11 H 1 1.110 0.02 . 2 . . . . . . . . 5685 1 638 . 1 1 55 55 VAL HG12 H 1 1.110 0.02 . 2 . . . . . . . . 5685 1 639 . 1 1 55 55 VAL HG13 H 1 1.110 0.02 . 2 . . . . . . . . 5685 1 640 . 1 1 55 55 VAL C C 13 177.510 0.05 . 1 . . . . . . . . 5685 1 641 . 1 1 56 56 ASN N N 15 116.410 0.05 . 1 . . . . . . . . 5685 1 642 . 1 1 56 56 ASN H H 1 7.720 0.02 . 1 . . . . . . . . 5685 1 643 . 1 1 56 56 ASN CA C 13 56.840 0.05 . 1 . . . . . . . . 5685 1 644 . 1 1 56 56 ASN HA H 1 4.350 0.02 . 1 . . . . . . . . 5685 1 645 . 1 1 56 56 ASN CB C 13 39.160 0.05 . 1 . . . . . . . . 5685 1 646 . 1 1 56 56 ASN HB3 H 1 2.740 0.02 . 2 . . . . . . . . 5685 1 647 . 1 1 56 56 ASN HB2 H 1 2.820 0.02 . 2 . . . . . . . . 5685 1 648 . 1 1 56 56 ASN ND2 N 15 112.450 0.05 . 1 . . . . . . . . 5685 1 649 . 1 1 56 56 ASN HD21 H 1 7.690 0.02 . 2 . . . . . . . . 5685 1 650 . 1 1 56 56 ASN HD22 H 1 6.900 0.02 . 2 . . . . . . . . 5685 1 651 . 1 1 56 56 ASN C C 13 178.050 0.05 . 1 . . . . . . . . 5685 1 652 . 1 1 57 57 VAL N N 15 119.160 0.05 . 1 . . . . . . . . 5685 1 653 . 1 1 57 57 VAL H H 1 8.560 0.02 . 1 . . . . . . . . 5685 1 654 . 1 1 57 57 VAL CA C 13 65.870 0.05 . 1 . . . . . . . . 5685 1 655 . 1 1 57 57 VAL HA H 1 3.760 0.02 . 1 . . . . . . . . 5685 1 656 . 1 1 57 57 VAL CB C 13 31.820 0.05 . 1 . . . . . . . . 5685 1 657 . 1 1 57 57 VAL HB H 1 1.980 0.02 . 1 . . . . . . . . 5685 1 658 . 1 1 57 57 VAL CG2 C 13 22.860 0.05 . 1 . . . . . . . . 5685 1 659 . 1 1 57 57 VAL HG21 H 1 1.020 0.02 . 2 . . . . . . . . 5685 1 660 . 1 1 57 57 VAL HG22 H 1 1.020 0.02 . 2 . . . . . . . . 5685 1 661 . 1 1 57 57 VAL HG23 H 1 1.020 0.02 . 2 . . . . . . . . 5685 1 662 . 1 1 57 57 VAL CG1 C 13 21.180 0.05 . 1 . . . . . . . . 5685 1 663 . 1 1 57 57 VAL HG11 H 1 0.870 0.02 . 2 . . . . . . . . 5685 1 664 . 1 1 57 57 VAL HG12 H 1 0.870 0.02 . 2 . . . . . . . . 5685 1 665 . 1 1 57 57 VAL HG13 H 1 0.870 0.02 . 2 . . . . . . . . 5685 1 666 . 1 1 57 57 VAL C C 13 178.450 0.05 . 1 . . . . . . . . 5685 1 667 . 1 1 58 58 LEU N N 15 119.770 0.05 . 1 . . . . . . . . 5685 1 668 . 1 1 58 58 LEU H H 1 8.110 0.02 . 1 . . . . . . . . 5685 1 669 . 1 1 58 58 LEU CA C 13 57.790 0.05 . 1 . . . . . . . . 5685 1 670 . 1 1 58 58 LEU HA H 1 3.820 0.02 . 1 . . . . . . . . 5685 1 671 . 1 1 58 58 LEU CB C 13 42.020 0.05 . 1 . . . . . . . . 5685 1 672 . 1 1 58 58 LEU HB3 H 1 1.790 0.02 . 2 . . . . . . . . 5685 1 673 . 1 1 58 58 LEU HB2 H 1 1.160 0.02 . 2 . . . . . . . . 5685 1 674 . 1 1 58 58 LEU CG C 13 27.630 0.05 . 1 . . . . . . . . 5685 1 675 . 1 1 58 58 LEU HG H 1 1.500 0.02 . 1 . . . . . . . . 5685 1 676 . 1 1 58 58 LEU CD1 C 13 26.150 0.05 . 1 . . . . . . . . 5685 1 677 . 1 1 58 58 LEU HD11 H 1 0.660 0.02 . 2 . . . . . . . . 5685 1 678 . 1 1 58 58 LEU HD12 H 1 0.660 0.02 . 2 . . . . . . . . 5685 1 679 . 1 1 58 58 LEU HD13 H 1 0.660 0.02 . 2 . . . . . . . . 5685 1 680 . 1 1 58 58 LEU CD2 C 13 24.220 0.05 . 1 . . . . . . . . 5685 1 681 . 1 1 58 58 LEU HD21 H 1 0.440 0.02 . 2 . . . . . . . . 5685 1 682 . 1 1 58 58 LEU HD22 H 1 0.440 0.02 . 2 . . . . . . . . 5685 1 683 . 1 1 58 58 LEU HD23 H 1 0.440 0.02 . 2 . . . . . . . . 5685 1 684 . 1 1 58 58 LEU C C 13 178.440 0.05 . 1 . . . . . . . . 5685 1 685 . 1 1 59 59 ALA N N 15 121.260 0.05 . 1 . . . . . . . . 5685 1 686 . 1 1 59 59 ALA H H 1 8.600 0.02 . 1 . . . . . . . . 5685 1 687 . 1 1 59 59 ALA CA C 13 56.060 0.05 . 1 . . . . . . . . 5685 1 688 . 1 1 59 59 ALA HA H 1 3.770 0.02 . 1 . . . . . . . . 5685 1 689 . 1 1 59 59 ALA CB C 13 18.040 0.05 . 1 . . . . . . . . 5685 1 690 . 1 1 59 59 ALA HB1 H 1 1.380 0.02 . 1 . . . . . . . . 5685 1 691 . 1 1 59 59 ALA HB2 H 1 1.380 0.02 . 1 . . . . . . . . 5685 1 692 . 1 1 59 59 ALA HB3 H 1 1.380 0.02 . 1 . . . . . . . . 5685 1 693 . 1 1 59 59 ALA C C 13 179.010 0.05 . 1 . . . . . . . . 5685 1 694 . 1 1 60 60 GLN N N 15 115.180 0.05 . 1 . . . . . . . . 5685 1 695 . 1 1 60 60 GLN H H 1 7.490 0.02 . 1 . . . . . . . . 5685 1 696 . 1 1 60 60 GLN CA C 13 58.880 0.05 . 1 . . . . . . . . 5685 1 697 . 1 1 60 60 GLN HA H 1 3.870 0.02 . 1 . . . . . . . . 5685 1 698 . 1 1 60 60 GLN CB C 13 28.460 0.05 . 1 . . . . . . . . 5685 1 699 . 1 1 60 60 GLN HB3 H 1 2.200 0.02 . 2 . . . . . . . . 5685 1 700 . 1 1 60 60 GLN HB2 H 1 2.140 0.02 . 2 . . . . . . . . 5685 1 701 . 1 1 60 60 GLN CG C 13 33.860 0.05 . 1 . . . . . . . . 5685 1 702 . 1 1 60 60 GLN HG3 H 1 2.520 0.02 . 2 . . . . . . . . 5685 1 703 . 1 1 60 60 GLN HG2 H 1 2.400 0.02 . 2 . . . . . . . . 5685 1 704 . 1 1 60 60 GLN NE2 N 15 112.140 0.05 . 1 . . . . . . . . 5685 1 705 . 1 1 60 60 GLN HE21 H 1 7.380 0.02 . 2 . . . . . . . . 5685 1 706 . 1 1 60 60 GLN HE22 H 1 6.850 0.02 . 2 . . . . . . . . 5685 1 707 . 1 1 60 60 GLN C C 13 179.480 0.05 . 1 . . . . . . . . 5685 1 708 . 1 1 61 61 ILE N N 15 119.680 0.05 . 1 . . . . . . . . 5685 1 709 . 1 1 61 61 ILE H H 1 8.000 0.02 . 1 . . . . . . . . 5685 1 710 . 1 1 61 61 ILE CA C 13 65.460 0.05 . 1 . . . . . . . . 5685 1 711 . 1 1 61 61 ILE HA H 1 3.510 0.02 . 1 . . . . . . . . 5685 1 712 . 1 1 61 61 ILE CB C 13 38.750 0.05 . 1 . . . . . . . . 5685 1 713 . 1 1 61 61 ILE HB H 1 1.700 0.02 . 1 . . . . . . . . 5685 1 714 . 1 1 61 61 ILE CG1 C 13 29.940 0.05 . 2 . . . . . . . . 5685 1 715 . 1 1 61 61 ILE HG13 H 1 1.880 0.02 . 1 . . . . . . . . 5685 1 716 . 1 1 61 61 ILE HG12 H 1 0.800 0.02 . 1 . . . . . . . . 5685 1 717 . 1 1 61 61 ILE CD1 C 13 14.470 0.05 . 1 . . . . . . . . 5685 1 718 . 1 1 61 61 ILE HD11 H 1 0.470 0.02 . 1 . . . . . . . . 5685 1 719 . 1 1 61 61 ILE HD12 H 1 0.470 0.02 . 1 . . . . . . . . 5685 1 720 . 1 1 61 61 ILE HD13 H 1 0.470 0.02 . 1 . . . . . . . . 5685 1 721 . 1 1 61 61 ILE CG2 C 13 18.560 0.05 . 1 . . . . . . . . 5685 1 722 . 1 1 61 61 ILE HG21 H 1 0.750 0.02 . 1 . . . . . . . . 5685 1 723 . 1 1 61 61 ILE HG22 H 1 0.750 0.02 . 1 . . . . . . . . 5685 1 724 . 1 1 61 61 ILE HG23 H 1 0.750 0.02 . 1 . . . . . . . . 5685 1 725 . 1 1 61 61 ILE C C 13 177.830 0.05 . 1 . . . . . . . . 5685 1 726 . 1 1 62 62 LEU N N 15 119.390 0.05 . 1 . . . . . . . . 5685 1 727 . 1 1 62 62 LEU H H 1 8.780 0.02 . 1 . . . . . . . . 5685 1 728 . 1 1 62 62 LEU CA C 13 58.660 0.05 . 1 . . . . . . . . 5685 1 729 . 1 1 62 62 LEU HA H 1 3.680 0.02 . 1 . . . . . . . . 5685 1 730 . 1 1 62 62 LEU CB C 13 41.490 0.05 . 1 . . . . . . . . 5685 1 731 . 1 1 62 62 LEU HB3 H 1 1.820 0.02 . 2 . . . . . . . . 5685 1 732 . 1 1 62 62 LEU HB2 H 1 0.880 0.02 . 2 . . . . . . . . 5685 1 733 . 1 1 62 62 LEU CG C 13 27.740 0.05 . 1 . . . . . . . . 5685 1 734 . 1 1 62 62 LEU HG H 1 1.560 0.02 . 1 . . . . . . . . 5685 1 735 . 1 1 62 62 LEU CD1 C 13 25.740 0.05 . 1 . . . . . . . . 5685 1 736 . 1 1 62 62 LEU HD11 H 1 0.420 0.02 . 2 . . . . . . . . 5685 1 737 . 1 1 62 62 LEU HD12 H 1 0.420 0.02 . 2 . . . . . . . . 5685 1 738 . 1 1 62 62 LEU HD13 H 1 0.420 0.02 . 2 . . . . . . . . 5685 1 739 . 1 1 62 62 LEU CD2 C 13 23.050 0.05 . 1 . . . . . . . . 5685 1 740 . 1 1 62 62 LEU HD21 H 1 0.300 0.02 . 2 . . . . . . . . 5685 1 741 . 1 1 62 62 LEU HD22 H 1 0.300 0.02 . 2 . . . . . . . . 5685 1 742 . 1 1 62 62 LEU HD23 H 1 0.300 0.02 . 2 . . . . . . . . 5685 1 743 . 1 1 62 62 LEU C C 13 179.340 0.05 . 1 . . . . . . . . 5685 1 744 . 1 1 63 63 LYS N N 15 118.550 0.05 . 1 . . . . . . . . 5685 1 745 . 1 1 63 63 LYS H H 1 8.120 0.02 . 1 . . . . . . . . 5685 1 746 . 1 1 63 63 LYS CA C 13 59.800 0.05 . 1 . . . . . . . . 5685 1 747 . 1 1 63 63 LYS HA H 1 3.960 0.02 . 1 . . . . . . . . 5685 1 748 . 1 1 63 63 LYS CB C 13 32.480 0.05 . 1 . . . . . . . . 5685 1 749 . 1 1 63 63 LYS HB3 H 1 1.830 0.02 . 2 . . . . . . . . 5685 1 750 . 1 1 63 63 LYS CG C 13 26.200 0.05 . 1 . . . . . . . . 5685 1 751 . 1 1 63 63 LYS HG3 H 1 1.610 0.02 . 2 . . . . . . . . 5685 1 752 . 1 1 63 63 LYS HG2 H 1 1.350 0.02 . 2 . . . . . . . . 5685 1 753 . 1 1 63 63 LYS CD C 13 29.580 0.05 . 1 . . . . . . . . 5685 1 754 . 1 1 63 63 LYS HD3 H 1 1.610 0.02 . 2 . . . . . . . . 5685 1 755 . 1 1 63 63 LYS CE C 13 42.480 0.05 . 1 . . . . . . . . 5685 1 756 . 1 1 63 63 LYS HE3 H 1 2.880 0.02 . 2 . . . . . . . . 5685 1 757 . 1 1 63 63 LYS C C 13 178.810 0.05 . 1 . . . . . . . . 5685 1 758 . 1 1 64 64 ARG N N 15 118.140 0.05 . 1 . . . . . . . . 5685 1 759 . 1 1 64 64 ARG H H 1 7.390 0.02 . 1 . . . . . . . . 5685 1 760 . 1 1 64 64 ARG CA C 13 58.800 0.05 . 1 . . . . . . . . 5685 1 761 . 1 1 64 64 ARG HA H 1 4.050 0.02 . 1 . . . . . . . . 5685 1 762 . 1 1 64 64 ARG CB C 13 30.440 0.05 . 1 . . . . . . . . 5685 1 763 . 1 1 64 64 ARG HB3 H 1 1.890 0.02 . 2 . . . . . . . . 5685 1 764 . 1 1 64 64 ARG CG C 13 27.880 0.05 . 1 . . . . . . . . 5685 1 765 . 1 1 64 64 ARG HG3 H 1 1.730 0.02 . 2 . . . . . . . . 5685 1 766 . 1 1 64 64 ARG HG2 H 1 1.600 0.02 . 2 . . . . . . . . 5685 1 767 . 1 1 64 64 ARG CD C 13 43.580 0.05 . 1 . . . . . . . . 5685 1 768 . 1 1 64 64 ARG HD3 H 1 3.170 0.02 . 2 . . . . . . . . 5685 1 769 . 1 1 64 64 ARG C C 13 178.630 0.05 . 1 . . . . . . . . 5685 1 770 . 1 1 65 65 LEU N N 15 117.450 0.05 . 1 . . . . . . . . 5685 1 771 . 1 1 65 65 LEU H H 1 8.240 0.02 . 1 . . . . . . . . 5685 1 772 . 1 1 65 65 LEU CA C 13 56.360 0.05 . 1 . . . . . . . . 5685 1 773 . 1 1 65 65 LEU HA H 1 4.000 0.02 . 1 . . . . . . . . 5685 1 774 . 1 1 65 65 LEU CB C 13 43.450 0.05 . 1 . . . . . . . . 5685 1 775 . 1 1 65 65 LEU HB3 H 1 1.620 0.02 . 2 . . . . . . . . 5685 1 776 . 1 1 65 65 LEU HB2 H 1 1.330 0.02 . 2 . . . . . . . . 5685 1 777 . 1 1 65 65 LEU CG C 13 26.450 0.05 . 1 . . . . . . . . 5685 1 778 . 1 1 65 65 LEU HG H 1 1.830 0.02 . 1 . . . . . . . . 5685 1 779 . 1 1 65 65 LEU CD1 C 13 22.720 0.05 . 1 . . . . . . . . 5685 1 780 . 1 1 65 65 LEU HD11 H 1 0.800 0.02 . 2 . . . . . . . . 5685 1 781 . 1 1 65 65 LEU HD12 H 1 0.800 0.02 . 2 . . . . . . . . 5685 1 782 . 1 1 65 65 LEU HD13 H 1 0.800 0.02 . 2 . . . . . . . . 5685 1 783 . 1 1 65 65 LEU CD2 C 13 26.450 0.05 . 1 . . . . . . . . 5685 1 784 . 1 1 65 65 LEU HD21 H 1 0.710 0.02 . 2 . . . . . . . . 5685 1 785 . 1 1 65 65 LEU HD22 H 1 0.710 0.02 . 2 . . . . . . . . 5685 1 786 . 1 1 65 65 LEU HD23 H 1 0.710 0.02 . 2 . . . . . . . . 5685 1 787 . 1 1 65 65 LEU C C 13 176.620 0.05 . 1 . . . . . . . . 5685 1 788 . 1 1 66 66 ASN N N 15 112.780 0.05 . 1 . . . . . . . . 5685 1 789 . 1 1 66 66 ASN H H 1 7.960 0.02 . 1 . . . . . . . . 5685 1 790 . 1 1 66 66 ASN CA C 13 53.390 0.05 . 1 . . . . . . . . 5685 1 791 . 1 1 66 66 ASN HA H 1 4.470 0.02 . 1 . . . . . . . . 5685 1 792 . 1 1 66 66 ASN CB C 13 37.920 0.05 . 1 . . . . . . . . 5685 1 793 . 1 1 66 66 ASN HB3 H 1 3.250 0.02 . 2 . . . . . . . . 5685 1 794 . 1 1 66 66 ASN HB2 H 1 2.430 0.02 . 2 . . . . . . . . 5685 1 795 . 1 1 66 66 ASN ND2 N 15 115.520 0.05 . 1 . . . . . . . . 5685 1 796 . 1 1 66 66 ASN HD21 H 1 7.530 0.02 . 2 . . . . . . . . 5685 1 797 . 1 1 66 66 ASN HD22 H 1 6.750 0.02 . 2 . . . . . . . . 5685 1 798 . 1 1 67 67 PRO CA C 13 62.530 0.05 . 1 . . . . . . . . 5685 1 799 . 1 1 67 67 PRO HA H 1 4.530 0.02 . 1 . . . . . . . . 5685 1 800 . 1 1 67 67 PRO CB C 13 32.530 0.05 . 1 . . . . . . . . 5685 1 801 . 1 1 67 67 PRO HB3 H 1 2.270 0.02 . 2 . . . . . . . . 5685 1 802 . 1 1 67 67 PRO HB2 H 1 1.950 0.02 . 2 . . . . . . . . 5685 1 803 . 1 1 67 67 PRO CG C 13 27.530 0.05 . 1 . . . . . . . . 5685 1 804 . 1 1 67 67 PRO HG3 H 1 1.810 0.02 . 2 . . . . . . . . 5685 1 805 . 1 1 67 67 PRO HG2 H 1 1.440 0.02 . 2 . . . . . . . . 5685 1 806 . 1 1 67 67 PRO CD C 13 50.500 0.05 . 1 . . . . . . . . 5685 1 807 . 1 1 67 67 PRO HD3 H 1 3.760 0.02 . 2 . . . . . . . . 5685 1 808 . 1 1 67 67 PRO HD2 H 1 3.630 0.02 . 2 . . . . . . . . 5685 1 809 . 1 1 67 67 PRO C C 13 176.520 0.05 . 1 . . . . . . . . 5685 1 810 . 1 1 68 68 GLU N N 15 120.500 0.05 . 1 . . . . . . . . 5685 1 811 . 1 1 68 68 GLU H H 1 8.450 0.02 . 1 . . . . . . . . 5685 1 812 . 1 1 68 68 GLU CA C 13 57.000 0.05 . 1 . . . . . . . . 5685 1 813 . 1 1 68 68 GLU HA H 1 4.260 0.02 . 1 . . . . . . . . 5685 1 814 . 1 1 68 68 GLU CB C 13 30.570 0.05 . 1 . . . . . . . . 5685 1 815 . 1 1 68 68 GLU HB3 H 1 2.000 0.02 . 2 . . . . . . . . 5685 1 816 . 1 1 68 68 GLU CG C 13 36.870 0.05 . 1 . . . . . . . . 5685 1 817 . 1 1 68 68 GLU HG3 H 1 2.330 0.02 . 2 . . . . . . . . 5685 1 818 . 1 1 68 68 GLU HG2 H 1 2.170 0.02 . 2 . . . . . . . . 5685 1 819 . 1 1 68 68 GLU C C 13 175.950 0.05 . 1 . . . . . . . . 5685 1 820 . 1 1 69 69 ARG N N 15 123.260 0.05 . 1 . . . . . . . . 5685 1 821 . 1 1 69 69 ARG H H 1 8.470 0.02 . 1 . . . . . . . . 5685 1 822 . 1 1 69 69 ARG CA C 13 54.870 0.05 . 1 . . . . . . . . 5685 1 823 . 1 1 69 69 ARG HA H 1 5.020 0.02 . 1 . . . . . . . . 5685 1 824 . 1 1 69 69 ARG CB C 13 31.950 0.05 . 1 . . . . . . . . 5685 1 825 . 1 1 69 69 ARG HB3 H 1 1.610 0.02 . 2 . . . . . . . . 5685 1 826 . 1 1 69 69 ARG CG C 13 27.610 0.05 . 1 . . . . . . . . 5685 1 827 . 1 1 69 69 ARG HG3 H 1 1.460 0.02 . 2 . . . . . . . . 5685 1 828 . 1 1 69 69 ARG HG2 H 1 1.650 0.02 . 2 . . . . . . . . 5685 1 829 . 1 1 69 69 ARG CD C 13 44.020 0.05 . 1 . . . . . . . . 5685 1 830 . 1 1 69 69 ARG HD3 H 1 3.180 0.02 . 2 . . . . . . . . 5685 1 831 . 1 1 69 69 ARG C C 13 175.910 0.05 . 1 . . . . . . . . 5685 1 832 . 1 1 70 70 LYS N N 15 123.630 0.05 . 1 . . . . . . . . 5685 1 833 . 1 1 70 70 LYS H H 1 8.870 0.02 . 1 . . . . . . . . 5685 1 834 . 1 1 70 70 LYS CA C 13 54.870 0.05 . 1 . . . . . . . . 5685 1 835 . 1 1 70 70 LYS HA H 1 4.490 0.02 . 1 . . . . . . . . 5685 1 836 . 1 1 70 70 LYS CB C 13 36.260 0.05 . 1 . . . . . . . . 5685 1 837 . 1 1 70 70 LYS HB3 H 1 1.620 0.02 . 2 . . . . . . . . 5685 1 838 . 1 1 70 70 LYS HB2 H 1 1.500 0.02 . 2 . . . . . . . . 5685 1 839 . 1 1 70 70 LYS CG C 13 24.410 0.05 . 1 . . . . . . . . 5685 1 840 . 1 1 70 70 LYS HG3 H 1 1.210 0.02 . 2 . . . . . . . . 5685 1 841 . 1 1 70 70 LYS CD C 13 29.360 0.05 . 1 . . . . . . . . 5685 1 842 . 1 1 70 70 LYS HD3 H 1 1.530 0.02 . 2 . . . . . . . . 5685 1 843 . 1 1 70 70 LYS CE C 13 41.880 0.05 . 1 . . . . . . . . 5685 1 844 . 1 1 70 70 LYS HE3 H 1 2.820 0.02 . 2 . . . . . . . . 5685 1 845 . 1 1 70 70 LYS C C 13 174.870 0.05 . 1 . . . . . . . . 5685 1 846 . 1 1 71 71 MET N N 15 124.340 0.05 . 1 . . . . . . . . 5685 1 847 . 1 1 71 71 MET H H 1 8.730 0.02 . 1 . . . . . . . . 5685 1 848 . 1 1 71 71 MET CA C 13 53.940 0.05 . 1 . . . . . . . . 5685 1 849 . 1 1 71 71 MET HA H 1 4.880 0.02 . 1 . . . . . . . . 5685 1 850 . 1 1 71 71 MET CB C 13 31.170 0.05 . 1 . . . . . . . . 5685 1 851 . 1 1 71 71 MET HB3 H 1 1.960 0.02 . 2 . . . . . . . . 5685 1 852 . 1 1 71 71 MET HB2 H 1 1.840 0.02 . 2 . . . . . . . . 5685 1 853 . 1 1 71 71 MET CG C 13 31.480 0.05 . 1 . . . . . . . . 5685 1 854 . 1 1 71 71 MET HG3 H 1 2.460 0.02 . 2 . . . . . . . . 5685 1 855 . 1 1 71 71 MET CE C 13 16.250 0.05 . 1 . . . . . . . . 5685 1 856 . 1 1 71 71 MET HE1 H 1 1.880 0.02 . 1 . . . . . . . . 5685 1 857 . 1 1 71 71 MET HE2 H 1 1.880 0.02 . 1 . . . . . . . . 5685 1 858 . 1 1 71 71 MET HE3 H 1 1.880 0.02 . 1 . . . . . . . . 5685 1 859 . 1 1 71 71 MET C C 13 176.130 0.05 . 1 . . . . . . . . 5685 1 860 . 1 1 72 72 ILE N N 15 126.300 0.05 . 1 . . . . . . . . 5685 1 861 . 1 1 72 72 ILE H H 1 8.430 0.02 . 1 . . . . . . . . 5685 1 862 . 1 1 72 72 ILE CA C 13 61.140 0.05 . 1 . . . . . . . . 5685 1 863 . 1 1 72 72 ILE HA H 1 4.080 0.02 . 1 . . . . . . . . 5685 1 864 . 1 1 72 72 ILE CB C 13 40.240 0.05 . 1 . . . . . . . . 5685 1 865 . 1 1 72 72 ILE HB H 1 0.880 0.02 . 1 . . . . . . . . 5685 1 866 . 1 1 72 72 ILE CG1 C 13 26.460 0.05 . 2 . . . . . . . . 5685 1 867 . 1 1 72 72 ILE HG13 H 1 1.030 0.02 . 1 . . . . . . . . 5685 1 868 . 1 1 72 72 ILE HG12 H 1 0.670 0.02 . 1 . . . . . . . . 5685 1 869 . 1 1 72 72 ILE CD1 C 13 13.980 0.05 . 1 . . . . . . . . 5685 1 870 . 1 1 72 72 ILE HD11 H 1 0.190 0.02 . 1 . . . . . . . . 5685 1 871 . 1 1 72 72 ILE HD12 H 1 0.190 0.02 . 1 . . . . . . . . 5685 1 872 . 1 1 72 72 ILE HD13 H 1 0.190 0.02 . 1 . . . . . . . . 5685 1 873 . 1 1 72 72 ILE CG2 C 13 16.830 0.05 . 1 . . . . . . . . 5685 1 874 . 1 1 72 72 ILE HG21 H 1 0.590 0.02 . 1 . . . . . . . . 5685 1 875 . 1 1 72 72 ILE HG22 H 1 0.590 0.02 . 1 . . . . . . . . 5685 1 876 . 1 1 72 72 ILE HG23 H 1 0.590 0.02 . 1 . . . . . . . . 5685 1 877 . 1 1 72 72 ILE C C 13 176.020 0.05 . 1 . . . . . . . . 5685 1 878 . 1 1 73 73 ASN N N 15 126.400 0.05 . 1 . . . . . . . . 5685 1 879 . 1 1 73 73 ASN H H 1 9.400 0.02 . 1 . . . . . . . . 5685 1 880 . 1 1 73 73 ASN CA C 13 54.910 0.05 . 1 . . . . . . . . 5685 1 881 . 1 1 73 73 ASN HA H 1 4.250 0.02 . 1 . . . . . . . . 5685 1 882 . 1 1 73 73 ASN CB C 13 37.260 0.05 . 1 . . . . . . . . 5685 1 883 . 1 1 73 73 ASN HB3 H 1 3.000 0.02 . 2 . . . . . . . . 5685 1 884 . 1 1 73 73 ASN HB2 H 1 2.820 0.02 . 2 . . . . . . . . 5685 1 885 . 1 1 73 73 ASN ND2 N 15 113.170 0.05 . 1 . . . . . . . . 5685 1 886 . 1 1 73 73 ASN HD21 H 1 7.620 0.02 . 2 . . . . . . . . 5685 1 887 . 1 1 73 73 ASN HD22 H 1 6.870 0.02 . 2 . . . . . . . . 5685 1 888 . 1 1 73 73 ASN C C 13 174.260 0.05 . 1 . . . . . . . . 5685 1 889 . 1 1 74 74 ASP N N 15 109.540 0.05 . 1 . . . . . . . . 5685 1 890 . 1 1 74 74 ASP H H 1 8.670 0.02 . 1 . . . . . . . . 5685 1 891 . 1 1 74 74 ASP CA C 13 56.250 0.05 . 1 . . . . . . . . 5685 1 892 . 1 1 74 74 ASP HA H 1 4.150 0.02 . 1 . . . . . . . . 5685 1 893 . 1 1 74 74 ASP CB C 13 40.100 0.05 . 1 . . . . . . . . 5685 1 894 . 1 1 74 74 ASP HB3 H 1 2.910 0.02 . 2 . . . . . . . . 5685 1 895 . 1 1 74 74 ASP HB2 H 1 2.820 0.02 . 2 . . . . . . . . 5685 1 896 . 1 1 74 74 ASP C C 13 174.800 0.05 . 1 . . . . . . . . 5685 1 897 . 1 1 75 75 LYS N N 15 117.850 0.05 . 1 . . . . . . . . 5685 1 898 . 1 1 75 75 LYS H H 1 7.810 0.02 . 1 . . . . . . . . 5685 1 899 . 1 1 75 75 LYS CA C 13 54.760 0.05 . 1 . . . . . . . . 5685 1 900 . 1 1 75 75 LYS HA H 1 4.720 0.02 . 1 . . . . . . . . 5685 1 901 . 1 1 75 75 LYS CB C 13 36.310 0.05 . 1 . . . . . . . . 5685 1 902 . 1 1 75 75 LYS HB3 H 1 1.790 0.02 . 2 . . . . . . . . 5685 1 903 . 1 1 75 75 LYS HB2 H 1 1.710 0.02 . 2 . . . . . . . . 5685 1 904 . 1 1 75 75 LYS CG C 13 24.530 0.05 . 1 . . . . . . . . 5685 1 905 . 1 1 75 75 LYS HG3 H 1 1.470 0.02 . 2 . . . . . . . . 5685 1 906 . 1 1 75 75 LYS CD C 13 28.990 0.05 . 1 . . . . . . . . 5685 1 907 . 1 1 75 75 LYS HD3 H 1 1.750 0.02 . 2 . . . . . . . . 5685 1 908 . 1 1 75 75 LYS CE C 13 42.270 0.05 . 1 . . . . . . . . 5685 1 909 . 1 1 75 75 LYS HE3 H 1 3.030 0.02 . 2 . . . . . . . . 5685 1 910 . 1 1 75 75 LYS C C 13 176.820 0.05 . 1 . . . . . . . . 5685 1 911 . 1 1 76 76 MET N N 15 129.090 0.05 . 1 . . . . . . . . 5685 1 912 . 1 1 76 76 MET H H 1 9.250 0.02 . 1 . . . . . . . . 5685 1 913 . 1 1 76 76 MET CA C 13 57.130 0.05 . 1 . . . . . . . . 5685 1 914 . 1 1 76 76 MET HA H 1 4.480 0.02 . 1 . . . . . . . . 5685 1 915 . 1 1 76 76 MET CB C 13 31.590 0.05 . 1 . . . . . . . . 5685 1 916 . 1 1 76 76 MET HB3 H 1 1.880 0.02 . 2 . . . . . . . . 5685 1 917 . 1 1 76 76 MET HB2 H 1 1.830 0.02 . 2 . . . . . . . . 5685 1 918 . 1 1 76 76 MET CG C 13 31.630 0.05 . 1 . . . . . . . . 5685 1 919 . 1 1 76 76 MET HG3 H 1 2.010 0.02 . 2 . . . . . . . . 5685 1 920 . 1 1 76 76 MET HG2 H 1 1.960 0.02 . 2 . . . . . . . . 5685 1 921 . 1 1 76 76 MET CE C 13 16.450 0.05 . 1 . . . . . . . . 5685 1 922 . 1 1 76 76 MET HE1 H 1 1.830 0.02 . 1 . . . . . . . . 5685 1 923 . 1 1 76 76 MET HE2 H 1 1.830 0.02 . 1 . . . . . . . . 5685 1 924 . 1 1 76 76 MET HE3 H 1 1.830 0.02 . 1 . . . . . . . . 5685 1 925 . 1 1 76 76 MET C C 13 175.160 0.05 . 1 . . . . . . . . 5685 1 926 . 1 1 77 77 HIS N N 15 125.400 0.05 . 1 . . . . . . . . 5685 1 927 . 1 1 77 77 HIS H H 1 9.260 0.02 . 1 . . . . . . . . 5685 1 928 . 1 1 77 77 HIS CA C 13 54.940 0.05 . 1 . . . . . . . . 5685 1 929 . 1 1 77 77 HIS HA H 1 4.570 0.02 . 1 . . . . . . . . 5685 1 930 . 1 1 77 77 HIS CB C 13 32.360 0.05 . 1 . . . . . . . . 5685 1 931 . 1 1 77 77 HIS HB3 H 1 2.800 0.02 . 2 . . . . . . . . 5685 1 932 . 1 1 77 77 HIS HB2 H 1 2.740 0.02 . 2 . . . . . . . . 5685 1 933 . 1 1 77 77 HIS CD2 C 13 126.700 0.05 . 1 . . . . . . . . 5685 1 934 . 1 1 77 77 HIS HD2 H 1 6.530 0.02 . 4 . . . . . . . . 5685 1 935 . 1 1 77 77 HIS CE1 C 13 139.700 0.05 . 1 . . . . . . . . 5685 1 936 . 1 1 77 77 HIS HE1 H 1 7.830 0.02 . 4 . . . . . . . . 5685 1 937 . 1 1 77 77 HIS C C 13 173.720 0.05 . 1 . . . . . . . . 5685 1 938 . 1 1 78 78 PHE N N 15 120.180 0.05 . 1 . . . . . . . . 5685 1 939 . 1 1 78 78 PHE H H 1 9.190 0.02 . 1 . . . . . . . . 5685 1 940 . 1 1 78 78 PHE CA C 13 56.350 0.05 . 1 . . . . . . . . 5685 1 941 . 1 1 78 78 PHE HA H 1 5.600 0.02 . 1 . . . . . . . . 5685 1 942 . 1 1 78 78 PHE CB C 13 42.520 0.05 . 1 . . . . . . . . 5685 1 943 . 1 1 78 78 PHE HB3 H 1 2.830 0.02 . 2 . . . . . . . . 5685 1 944 . 1 1 78 78 PHE CD1 C 13 131.000 0.05 . 3 . . . . . . . . 5685 1 945 . 1 1 78 78 PHE HD1 H 1 7.110 0.02 . 3 . . . . . . . . 5685 1 946 . 1 1 78 78 PHE CE1 C 13 131.500 0.05 . 3 . . . . . . . . 5685 1 947 . 1 1 78 78 PHE HE1 H 1 7.250 0.02 . 3 . . . . . . . . 5685 1 948 . 1 1 78 78 PHE CZ C 13 128.500 0.05 . 1 . . . . . . . . 5685 1 949 . 1 1 78 78 PHE HZ H 1 7.110 0.02 . 1 . . . . . . . . 5685 1 950 . 1 1 78 78 PHE C C 13 175.850 0.05 . 1 . . . . . . . . 5685 1 951 . 1 1 79 79 SER N N 15 113.440 0.05 . 1 . . . . . . . . 5685 1 952 . 1 1 79 79 SER H H 1 8.800 0.02 . 1 . . . . . . . . 5685 1 953 . 1 1 79 79 SER CA C 13 57.650 0.05 . 1 . . . . . . . . 5685 1 954 . 1 1 79 79 SER HA H 1 4.880 0.02 . 1 . . . . . . . . 5685 1 955 . 1 1 79 79 SER CB C 13 65.910 0.05 . 1 . . . . . . . . 5685 1 956 . 1 1 79 79 SER HB3 H 1 3.690 0.02 . 2 . . . . . . . . 5685 1 957 . 1 1 79 79 SER HB2 H 1 3.490 0.02 . 2 . . . . . . . . 5685 1 958 . 1 1 79 79 SER C C 13 172.040 0.05 . 1 . . . . . . . . 5685 1 959 . 1 1 80 80 LEU N N 15 123.310 0.05 . 1 . . . . . . . . 5685 1 960 . 1 1 80 80 LEU H H 1 7.490 0.02 . 1 . . . . . . . . 5685 1 961 . 1 1 80 80 LEU CA C 13 53.450 0.05 . 1 . . . . . . . . 5685 1 962 . 1 1 80 80 LEU HA H 1 4.880 0.02 . 1 . . . . . . . . 5685 1 963 . 1 1 80 80 LEU CB C 13 46.400 0.05 . 1 . . . . . . . . 5685 1 964 . 1 1 80 80 LEU HB3 H 1 1.540 0.02 . 2 . . . . . . . . 5685 1 965 . 1 1 80 80 LEU HB2 H 1 1.290 0.02 . 2 . . . . . . . . 5685 1 966 . 1 1 80 80 LEU CG C 13 27.580 0.05 . 1 . . . . . . . . 5685 1 967 . 1 1 80 80 LEU HG H 1 1.490 0.02 . 1 . . . . . . . . 5685 1 968 . 1 1 80 80 LEU CD1 C 13 27.500 0.05 . 1 . . . . . . . . 5685 1 969 . 1 1 80 80 LEU HD11 H 1 0.980 0.02 . 2 . . . . . . . . 5685 1 970 . 1 1 80 80 LEU HD12 H 1 0.980 0.02 . 2 . . . . . . . . 5685 1 971 . 1 1 80 80 LEU HD13 H 1 0.980 0.02 . 2 . . . . . . . . 5685 1 972 . 1 1 80 80 LEU CD2 C 13 24.610 0.05 . 1 . . . . . . . . 5685 1 973 . 1 1 80 80 LEU HD21 H 1 1.010 0.02 . 2 . . . . . . . . 5685 1 974 . 1 1 80 80 LEU HD22 H 1 1.010 0.02 . 2 . . . . . . . . 5685 1 975 . 1 1 80 80 LEU HD23 H 1 1.010 0.02 . 2 . . . . . . . . 5685 1 976 . 1 1 80 80 LEU C C 13 175.580 0.05 . 1 . . . . . . . . 5685 1 977 . 1 1 81 81 LYS N N 15 121.800 0.05 . 1 . . . . . . . . 5685 1 978 . 1 1 81 81 LYS H H 1 8.490 0.02 . 1 . . . . . . . . 5685 1 979 . 1 1 81 81 LYS CA C 13 56.310 0.05 . 1 . . . . . . . . 5685 1 980 . 1 1 81 81 LYS HA H 1 4.320 0.02 . 1 . . . . . . . . 5685 1 981 . 1 1 81 81 LYS CB C 13 33.720 0.05 . 1 . . . . . . . . 5685 1 982 . 1 1 81 81 LYS HB3 H 1 1.800 0.02 . 2 . . . . . . . . 5685 1 983 . 1 1 81 81 LYS HB2 H 1 1.830 0.02 . 2 . . . . . . . . 5685 1 984 . 1 1 81 81 LYS CG C 13 24.790 0.05 . 1 . . . . . . . . 5685 1 985 . 1 1 81 81 LYS HG3 H 1 1.450 0.02 . 2 . . . . . . . . 5685 1 986 . 1 1 81 81 LYS CD C 13 29.210 0.05 . 1 . . . . . . . . 5685 1 987 . 1 1 81 81 LYS HD3 H 1 1.680 0.02 . 2 . . . . . . . . 5685 1 988 . 1 1 81 81 LYS CE C 13 42.140 0.05 . 1 . . . . . . . . 5685 1 989 . 1 1 81 81 LYS HE3 H 1 2.980 0.02 . 2 . . . . . . . . 5685 1 990 . 1 1 81 81 LYS C C 13 175.930 0.05 . 1 . . . . . . . . 5685 1 991 . 1 1 82 82 GLU N N 15 126.350 0.05 . 1 . . . . . . . . 5685 1 992 . 1 1 82 82 GLU H H 1 8.050 0.02 . 1 . . . . . . . . 5685 1 993 . 1 1 82 82 GLU CA C 13 58.200 0.05 . 1 . . . . . . . . 5685 1 994 . 1 1 82 82 GLU HA H 1 4.080 0.02 . 1 . . . . . . . . 5685 1 995 . 1 1 82 82 GLU CB C 13 31.120 0.05 . 1 . . . . . . . . 5685 1 996 . 1 1 82 82 GLU HB3 H 1 2.040 0.02 . 2 . . . . . . . . 5685 1 997 . 1 1 82 82 GLU HB2 H 1 1.920 0.02 . 2 . . . . . . . . 5685 1 998 . 1 1 82 82 GLU HG3 H 1 2.190 0.02 . 2 . . . . . . . . 5685 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 936 5685 1 1 934 5685 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 5685 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 'No assignment was made on the first 20 amino acids.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5685 2 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 21 21 LEU CA C 13 55.61 0.05 . 1 . . . . . . . . 5685 2 2 . 2 2 21 21 LEU HA H 1 4.35 0.02 . 1 . . . . . . . . 5685 2 3 . 2 2 21 21 LEU CB C 13 42.39 0.05 . 1 . . . . . . . . 5685 2 4 . 2 2 21 21 LEU HB2 H 1 1.63 0.02 . 2 . . . . . . . . 5685 2 5 . 2 2 21 21 LEU CG C 13 26.99 0.05 . 1 . . . . . . . . 5685 2 6 . 2 2 21 21 LEU CD1 C 13 24.80 0.05 . 1 . . . . . . . . 5685 2 7 . 2 2 21 21 LEU HD11 H 1 0.89 0.02 . 1 . . . . . . . . 5685 2 8 . 2 2 21 21 LEU HD12 H 1 0.89 0.02 . 1 . . . . . . . . 5685 2 9 . 2 2 21 21 LEU HD13 H 1 0.89 0.02 . 1 . . . . . . . . 5685 2 10 . 2 2 21 21 LEU CD2 C 13 23.92 0.05 . 1 . . . . . . . . 5685 2 11 . 2 2 21 21 LEU HD21 H 1 0.89 0.02 . 1 . . . . . . . . 5685 2 12 . 2 2 21 21 LEU HD22 H 1 0.89 0.02 . 1 . . . . . . . . 5685 2 13 . 2 2 21 21 LEU HD23 H 1 0.89 0.02 . 1 . . . . . . . . 5685 2 14 . 2 2 21 21 LEU C C 13 177.56 0.05 . 1 . . . . . . . . 5685 2 15 . 2 2 22 22 GLY N N 15 110.90 0.05 . 1 . . . . . . . . 5685 2 16 . 2 2 22 22 GLY H H 1 8.53 0.02 . 1 . . . . . . . . 5685 2 17 . 2 2 22 22 GLY CA C 13 45.02 0.05 . 1 . . . . . . . . 5685 2 18 . 2 2 22 22 GLY HA2 H 1 3.90 0.02 . 2 . . . . . . . . 5685 2 19 . 2 2 22 22 GLY C C 13 173.30 0.05 . 1 . . . . . . . . 5685 2 20 . 2 2 23 23 ALA N N 15 124.79 0.05 . 1 . . . . . . . . 5685 2 21 . 2 2 23 23 ALA H H 1 8.05 0.02 . 1 . . . . . . . . 5685 2 22 . 2 2 23 23 ALA CA C 13 50.36 0.05 . 1 . . . . . . . . 5685 2 23 . 2 2 23 23 ALA CB C 13 18.27 0.05 . 1 . . . . . . . . 5685 2 24 . 2 2 24 24 PRO CA C 13 63.04 0.05 . 1 . . . . . . . . 5685 2 25 . 2 2 24 24 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 5685 2 26 . 2 2 24 24 PRO CB C 13 32.06 0.05 . 1 . . . . . . . . 5685 2 27 . 2 2 24 24 PRO HB2 H 1 2.28 0.02 . 2 . . . . . . . . 5685 2 28 . 2 2 24 24 PRO CG C 13 27.50 0.05 . 1 . . . . . . . . 5685 2 29 . 2 2 24 24 PRO HG3 H 1 1.92 0.02 . 2 . . . . . . . . 5685 2 30 . 2 2 24 24 PRO HG2 H 1 2.01 0.02 . 2 . . . . . . . . 5685 2 31 . 2 2 24 24 PRO CD C 13 50.44 0.05 . 1 . . . . . . . . 5685 2 32 . 2 2 24 24 PRO HD3 H 1 3.61 0.02 . 2 . . . . . . . . 5685 2 33 . 2 2 24 24 PRO HD2 H 1 3.78 0.02 . 2 . . . . . . . . 5685 2 34 . 2 2 24 24 PRO C C 13 176.82 0.05 . 1 . . . . . . . . 5685 2 35 . 2 2 25 25 ALA N N 15 124.56 0.05 . 1 . . . . . . . . 5685 2 36 . 2 2 25 25 ALA H H 1 8.47 0.02 . 1 . . . . . . . . 5685 2 37 . 2 2 25 25 ALA CA C 13 52.58 0.05 . 1 . . . . . . . . 5685 2 38 . 2 2 25 25 ALA CB C 13 19.22 0.05 . 1 . . . . . . . . 5685 2 39 . 2 2 25 25 ALA HB1 H 1 1.39 0.02 . 1 . . . . . . . . 5685 2 40 . 2 2 25 25 ALA HB2 H 1 1.39 0.02 . 1 . . . . . . . . 5685 2 41 . 2 2 25 25 ALA HB3 H 1 1.39 0.02 . 1 . . . . . . . . 5685 2 42 . 2 2 25 25 ALA C C 13 177.97 0.05 . 1 . . . . . . . . 5685 2 43 . 2 2 26 26 SER N N 15 115.01 0.05 . 1 . . . . . . . . 5685 2 44 . 2 2 26 26 SER H H 1 8.31 0.02 . 1 . . . . . . . . 5685 2 45 . 2 2 26 26 SER CA C 13 58.55 0.05 . 1 . . . . . . . . 5685 2 46 . 2 2 26 26 SER HA H 1 4.50 0.02 . 1 . . . . . . . . 5685 2 47 . 2 2 26 26 SER CB C 13 63.89 0.05 . 1 . . . . . . . . 5685 2 48 . 2 2 26 26 SER HB2 H 1 3.90 0.02 . 2 . . . . . . . . 5685 2 49 . 2 2 26 26 SER C C 13 175.13 0.05 . 1 . . . . . . . . 5685 2 50 . 2 2 27 27 SER N N 15 118.42 0.05 . 1 . . . . . . . . 5685 2 51 . 2 2 27 27 SER H H 1 8.48 0.02 . 1 . . . . . . . . 5685 2 52 . 2 2 27 27 SER CA C 13 58.36 0.05 . 1 . . . . . . . . 5685 2 53 . 2 2 27 27 SER HA H 1 4.44 0.02 . 1 . . . . . . . . 5685 2 54 . 2 2 27 27 SER CB C 13 64.14 0.05 . 1 . . . . . . . . 5685 2 55 . 2 2 27 27 SER HB2 H 1 3.85 0.02 . 2 . . . . . . . . 5685 2 56 . 2 2 27 27 SER C C 13 173.65 0.05 . 1 . . . . . . . . 5685 2 57 . 2 2 28 28 GLU N N 15 127.52 0.05 . 1 . . . . . . . . 5685 2 58 . 2 2 28 28 GLU H H 1 7.97 0.02 . 1 . . . . . . . . 5685 2 59 . 2 2 28 28 GLU CA C 13 58.17 0.05 . 1 . . . . . . . . 5685 2 60 . 2 2 28 28 GLU CB C 13 31.18 0.05 . 1 . . . . . . . . 5685 2 61 . 2 2 32 32 ALA CA C 13 52.56 0.05 . 1 . . . . . . . . 5685 2 62 . 2 2 32 32 ALA HA H 1 4.30 0.02 . 1 . . . . . . . . 5685 2 63 . 2 2 32 32 ALA CB C 13 19.19 0.05 . 1 . . . . . . . . 5685 2 64 . 2 2 32 32 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 5685 2 65 . 2 2 32 32 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 5685 2 66 . 2 2 32 32 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 5685 2 67 . 2 2 32 32 ALA C C 13 178.34 0.05 . 1 . . . . . . . . 5685 2 68 . 2 2 33 33 GLY N N 15 108.22 0.05 . 1 . . . . . . . . 5685 2 69 . 2 2 33 33 GLY H H 1 8.34 0.02 . 1 . . . . . . . . 5685 2 70 . 2 2 33 33 GLY CA C 13 45.42 0.05 . 1 . . . . . . . . 5685 2 71 . 2 2 33 33 GLY HA2 H 1 3.95 0.02 . 2 . . . . . . . . 5685 2 72 . 2 2 33 33 GLY C C 13 174.80 0.05 . 1 . . . . . . . . 5685 2 73 . 2 2 34 34 GLY N N 15 108.61 0.05 . 1 . . . . . . . . 5685 2 74 . 2 2 34 34 GLY H H 1 8.24 0.02 . 1 . . . . . . . . 5685 2 75 . 2 2 34 34 GLY CA C 13 45.36 0.05 . 1 . . . . . . . . 5685 2 76 . 2 2 34 34 GLY HA2 H 1 3.96 0.02 . 2 . . . . . . . . 5685 2 77 . 2 2 34 34 GLY C C 13 174.22 0.05 . 1 . . . . . . . . 5685 2 78 . 2 2 35 35 ARG N N 15 120.28 0.05 . 1 . . . . . . . . 5685 2 79 . 2 2 35 35 ARG H H 1 8.27 0.02 . 1 . . . . . . . . 5685 2 80 . 2 2 35 35 ARG CA C 13 55.99 0.05 . 1 . . . . . . . . 5685 2 81 . 2 2 35 35 ARG HA H 1 4.39 0.02 . 1 . . . . . . . . 5685 2 82 . 2 2 35 35 ARG CB C 13 31.06 0.05 . 1 . . . . . . . . 5685 2 83 . 2 2 35 35 ARG HB3 H 1 1.74 0.02 . 2 . . . . . . . . 5685 2 84 . 2 2 35 35 ARG HB2 H 1 1.88 0.02 . 2 . . . . . . . . 5685 2 85 . 2 2 35 35 ARG CG C 13 26.86 0.05 . 1 . . . . . . . . 5685 2 86 . 2 2 35 35 ARG HG2 H 1 1.62 0.02 . 2 . . . . . . . . 5685 2 87 . 2 2 35 35 ARG CD C 13 43.39 0.05 . 1 . . . . . . . . 5685 2 88 . 2 2 35 35 ARG HD2 H 1 3.17 0.02 . 2 . . . . . . . . 5685 2 89 . 2 2 35 35 ARG C C 13 176.65 0.05 . 1 . . . . . . . . 5685 2 90 . 2 2 36 36 GLY N N 15 109.98 0.05 . 1 . . . . . . . . 5685 2 91 . 2 2 36 36 GLY H H 1 8.33 0.02 . 1 . . . . . . . . 5685 2 92 . 2 2 36 36 GLY CA C 13 44.54 0.05 . 1 . . . . . . . . 5685 2 93 . 2 2 37 37 PRO CA C 13 63.36 0.05 . 1 . . . . . . . . 5685 2 94 . 2 2 37 37 PRO HA H 1 4.41 0.02 . 1 . . . . . . . . 5685 2 95 . 2 2 37 37 PRO CB C 13 32.16 0.05 . 1 . . . . . . . . 5685 2 96 . 2 2 37 37 PRO HB2 H 1 2.25 0.02 . 2 . . . . . . . . 5685 2 97 . 2 2 37 37 PRO CG C 13 27.25 0.05 . 1 . . . . . . . . 5685 2 98 . 2 2 37 37 PRO HG3 H 1 1.90 0.02 . 2 . . . . . . . . 5685 2 99 . 2 2 37 37 PRO HG2 H 1 1.97 0.02 . 2 . . . . . . . . 5685 2 100 . 2 2 37 37 PRO CD C 13 49.88 0.05 . 1 . . . . . . . . 5685 2 101 . 2 2 37 37 PRO HD2 H 1 3.60 0.02 . 2 . . . . . . . . 5685 2 102 . 2 2 37 37 PRO C C 13 177.36 0.05 . 1 . . . . . . . . 5685 2 103 . 2 2 38 38 ARG N N 15 121.00 0.05 . 1 . . . . . . . . 5685 2 104 . 2 2 38 38 ARG H H 1 8.51 0.02 . 1 . . . . . . . . 5685 2 105 . 2 2 38 38 ARG CA C 13 56.28 0.05 . 1 . . . . . . . . 5685 2 106 . 2 2 38 38 ARG HA H 1 4.31 0.02 . 1 . . . . . . . . 5685 2 107 . 2 2 38 38 ARG CB C 13 30.77 0.05 . 1 . . . . . . . . 5685 2 108 . 2 2 38 38 ARG HB2 H 1 1.86 0.02 . 2 . . . . . . . . 5685 2 109 . 2 2 38 38 ARG CG C 13 26.79 0.05 . 1 . . . . . . . . 5685 2 110 . 2 2 38 38 ARG HG2 H 1 1.75 0.02 . 2 . . . . . . . . 5685 2 111 . 2 2 38 38 ARG CD C 13 43.37 0.05 . 1 . . . . . . . . 5685 2 112 . 2 2 38 38 ARG HD2 H 1 3.18 0.02 . 2 . . . . . . . . 5685 2 113 . 2 2 38 38 ARG C C 13 176.97 0.05 . 1 . . . . . . . . 5685 2 114 . 2 2 39 39 GLY N N 15 109.57 0.05 . 1 . . . . . . . . 5685 2 115 . 2 2 39 39 GLY H H 1 8.37 0.02 . 1 . . . . . . . . 5685 2 116 . 2 2 39 39 GLY CA C 13 45.36 0.05 . 1 . . . . . . . . 5685 2 117 . 2 2 39 39 GLY HA2 H 1 3.99 0.02 . 2 . . . . . . . . 5685 2 118 . 2 2 39 39 GLY C C 13 173.31 0.05 . 1 . . . . . . . . 5685 2 119 . 2 2 40 40 HIS N N 15 125.41 0.05 . 1 . . . . . . . . 5685 2 120 . 2 2 40 40 HIS H H 1 7.80 0.02 . 1 . . . . . . . . 5685 2 121 . 2 2 40 40 HIS CA C 13 57.39 0.05 . 1 . . . . . . . . 5685 2 122 . 2 2 40 40 HIS CB C 13 31.52 0.05 . 1 . . . . . . . . 5685 2 123 . 2 2 42 42 ARG CA C 13 56.22 0.05 . 1 . . . . . . . . 5685 2 124 . 2 2 42 42 ARG HA H 1 4.27 0.02 . 1 . . . . . . . . 5685 2 125 . 2 2 42 42 ARG CB C 13 31.09 0.05 . 1 . . . . . . . . 5685 2 126 . 2 2 42 42 ARG HB2 H 1 1.77 0.02 . 2 . . . . . . . . 5685 2 127 . 2 2 42 42 ARG CG C 13 27.10 0.05 . 1 . . . . . . . . 5685 2 128 . 2 2 42 42 ARG HG2 H 1 1.60 0.02 . 2 . . . . . . . . 5685 2 129 . 2 2 42 42 ARG CD C 13 43.45 0.05 . 1 . . . . . . . . 5685 2 130 . 2 2 42 42 ARG HD2 H 1 3.16 0.02 . 2 . . . . . . . . 5685 2 131 . 2 2 42 42 ARG C C 13 176.11 0.05 . 1 . . . . . . . . 5685 2 132 . 2 2 43 43 LYS N N 15 123.34 0.05 . 1 . . . . . . . . 5685 2 133 . 2 2 43 43 LYS H H 1 8.46 0.02 . 1 . . . . . . . . 5685 2 134 . 2 2 43 43 LYS CA C 13 56.29 0.05 . 1 . . . . . . . . 5685 2 135 . 2 2 43 43 LYS HA H 1 4.37 0.02 . 1 . . . . . . . . 5685 2 136 . 2 2 43 43 LYS CB C 13 33.35 0.05 . 1 . . . . . . . . 5685 2 137 . 2 2 43 43 LYS HB2 H 1 1.82 0.02 . 2 . . . . . . . . 5685 2 138 . 2 2 43 43 LYS CG C 13 24.89 0.05 . 1 . . . . . . . . 5685 2 139 . 2 2 43 43 LYS HG2 H 1 1.68 0.02 . 2 . . . . . . . . 5685 2 140 . 2 2 43 43 LYS CD C 13 29.09 0.05 . 1 . . . . . . . . 5685 2 141 . 2 2 43 43 LYS HD2 H 1 1.41 0.02 . 2 . . . . . . . . 5685 2 142 . 2 2 43 43 LYS CE C 13 42.12 0.05 . 1 . . . . . . . . 5685 2 143 . 2 2 43 43 LYS HE2 H 1 2.97 0.02 . 2 . . . . . . . . 5685 2 144 . 2 2 43 43 LYS C C 13 176.26 0.05 . 1 . . . . . . . . 5685 2 145 . 2 2 44 44 LEU N N 15 124.40 0.05 . 1 . . . . . . . . 5685 2 146 . 2 2 44 44 LEU H H 1 8.51 0.02 . 1 . . . . . . . . 5685 2 147 . 2 2 44 44 LEU CA C 13 55.59 0.05 . 1 . . . . . . . . 5685 2 148 . 2 2 44 44 LEU HA H 1 4.27 0.02 . 1 . . . . . . . . 5685 2 149 . 2 2 44 44 LEU CB C 13 42.47 0.05 . 1 . . . . . . . . 5685 2 150 . 2 2 44 44 LEU HB2 H 1 1.59 0.02 . 2 . . . . . . . . 5685 2 151 . 2 2 44 44 LEU CG C 13 27.13 0.05 . 1 . . . . . . . . 5685 2 152 . 2 2 44 44 LEU HG H 1 1.59 0.02 . 1 . . . . . . . . 5685 2 153 . 2 2 44 44 LEU CD1 C 13 24.84 0.05 . 1 . . . . . . . . 5685 2 154 . 2 2 44 44 LEU HD11 H 1 0.86 0.02 . 1 . . . . . . . . 5685 2 155 . 2 2 44 44 LEU HD12 H 1 0.86 0.02 . 1 . . . . . . . . 5685 2 156 . 2 2 44 44 LEU HD13 H 1 0.86 0.02 . 1 . . . . . . . . 5685 2 157 . 2 2 44 44 LEU CD2 C 13 23.53 0.05 . 1 . . . . . . . . 5685 2 158 . 2 2 44 44 LEU HD21 H 1 0.86 0.02 . 1 . . . . . . . . 5685 2 159 . 2 2 44 44 LEU HD22 H 1 0.86 0.02 . 1 . . . . . . . . 5685 2 160 . 2 2 44 44 LEU HD23 H 1 0.86 0.02 . 1 . . . . . . . . 5685 2 161 . 2 2 44 44 LEU C C 13 177.16 0.05 . 1 . . . . . . . . 5685 2 162 . 2 2 45 45 ASN N N 15 118.42 0.05 . 1 . . . . . . . . 5685 2 163 . 2 2 45 45 ASN H H 1 8.48 0.02 . 1 . . . . . . . . 5685 2 164 . 2 2 45 45 ASN CA C 13 53.42 0.05 . 1 . . . . . . . . 5685 2 165 . 2 2 45 45 ASN HA H 1 4.65 0.02 . 1 . . . . . . . . 5685 2 166 . 2 2 45 45 ASN CB C 13 38.70 0.05 . 1 . . . . . . . . 5685 2 167 . 2 2 45 45 ASN HB2 H 1 2.82 0.02 . 2 . . . . . . . . 5685 2 168 . 2 2 45 45 ASN C C 13 175.28 0.05 . 1 . . . . . . . . 5685 2 169 . 2 2 46 46 GLU N N 15 120.72 0.05 . 1 . . . . . . . . 5685 2 170 . 2 2 46 46 GLU H H 1 8.36 0.02 . 1 . . . . . . . . 5685 2 171 . 2 2 46 46 GLU CA C 13 57.29 0.05 . 1 . . . . . . . . 5685 2 172 . 2 2 46 46 GLU HA H 1 4.21 0.02 . 1 . . . . . . . . 5685 2 173 . 2 2 46 46 GLU CB C 13 30.25 0.05 . 1 . . . . . . . . 5685 2 174 . 2 2 46 46 GLU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 5685 2 175 . 2 2 46 46 GLU CG C 13 36.48 0.05 . 1 . . . . . . . . 5685 2 176 . 2 2 46 46 GLU HG2 H 1 2.24 0.02 . 2 . . . . . . . . 5685 2 177 . 2 2 46 46 GLU C C 13 176.80 0.05 . 1 . . . . . . . . 5685 2 178 . 2 2 47 47 GLU N N 15 120.86 0.05 . 1 . . . . . . . . 5685 2 179 . 2 2 47 47 GLU H H 1 8.43 0.02 . 1 . . . . . . . . 5685 2 180 . 2 2 47 47 GLU CA C 13 56.90 0.05 . 1 . . . . . . . . 5685 2 181 . 2 2 47 47 GLU HA H 1 4.25 0.02 . 1 . . . . . . . . 5685 2 182 . 2 2 47 47 GLU CB C 13 30.24 0.05 . 1 . . . . . . . . 5685 2 183 . 2 2 47 47 GLU HB2 H 1 1.88 0.02 . 2 . . . . . . . . 5685 2 184 . 2 2 47 47 GLU CG C 13 36.31 0.05 . 1 . . . . . . . . 5685 2 185 . 2 2 47 47 GLU HG2 H 1 2.23 0.02 . 2 . . . . . . . . 5685 2 186 . 2 2 47 47 GLU C C 13 176.25 0.05 . 1 . . . . . . . . 5685 2 187 . 2 2 48 48 ASP N N 15 121.00 0.05 . 1 . . . . . . . . 5685 2 188 . 2 2 48 48 ASP H H 1 8.32 0.02 . 1 . . . . . . . . 5685 2 189 . 2 2 48 48 ASP CA C 13 54.60 0.05 . 1 . . . . . . . . 5685 2 190 . 2 2 48 48 ASP HA H 1 4.55 0.02 . 1 . . . . . . . . 5685 2 191 . 2 2 48 48 ASP CB C 13 41.30 0.05 . 1 . . . . . . . . 5685 2 192 . 2 2 48 48 ASP HB3 H 1 2.61 0.02 . 2 . . . . . . . . 5685 2 193 . 2 2 48 48 ASP HB2 H 1 2.69 0.02 . 2 . . . . . . . . 5685 2 194 . 2 2 48 48 ASP C C 13 176.34 0.05 . 1 . . . . . . . . 5685 2 195 . 2 2 49 49 ALA N N 15 124.50 0.05 . 1 . . . . . . . . 5685 2 196 . 2 2 49 49 ALA H H 1 8.20 0.02 . 1 . . . . . . . . 5685 2 197 . 2 2 49 49 ALA CA C 13 53.04 0.05 . 1 . . . . . . . . 5685 2 198 . 2 2 49 49 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 5685 2 199 . 2 2 49 49 ALA CB C 13 19.14 0.05 . 1 . . . . . . . . 5685 2 200 . 2 2 49 49 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 5685 2 201 . 2 2 49 49 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 5685 2 202 . 2 2 49 49 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 5685 2 203 . 2 2 49 49 ALA C C 13 177.95 0.05 . 1 . . . . . . . . 5685 2 204 . 2 2 50 50 ALA N N 15 122.44 0.05 . 1 . . . . . . . . 5685 2 205 . 2 2 50 50 ALA H H 1 8.21 0.02 . 1 . . . . . . . . 5685 2 206 . 2 2 50 50 ALA CA C 13 52.92 0.05 . 1 . . . . . . . . 5685 2 207 . 2 2 50 50 ALA HA H 1 4.29 0.02 . 1 . . . . . . . . 5685 2 208 . 2 2 50 50 ALA CB C 13 19.06 0.05 . 1 . . . . . . . . 5685 2 209 . 2 2 50 50 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 5685 2 210 . 2 2 50 50 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 5685 2 211 . 2 2 50 50 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 5685 2 212 . 2 2 50 50 ALA C C 13 178.24 0.05 . 1 . . . . . . . . 5685 2 213 . 2 2 51 51 SER N N 15 114.78 0.05 . 1 . . . . . . . . 5685 2 214 . 2 2 51 51 SER H H 1 8.13 0.02 . 1 . . . . . . . . 5685 2 215 . 2 2 51 51 SER CA C 13 58.74 0.05 . 1 . . . . . . . . 5685 2 216 . 2 2 51 51 SER HA H 1 4.39 0.02 . 1 . . . . . . . . 5685 2 217 . 2 2 51 51 SER CB C 13 63.86 0.05 . 1 . . . . . . . . 5685 2 218 . 2 2 51 51 SER HB2 H 1 3.89 0.02 . 2 . . . . . . . . 5685 2 219 . 2 2 51 51 SER C C 13 175.08 0.05 . 1 . . . . . . . . 5685 2 220 . 2 2 52 52 GLU N N 15 122.72 0.05 . 1 . . . . . . . . 5685 2 221 . 2 2 52 52 GLU H H 1 8.40 0.02 . 1 . . . . . . . . 5685 2 222 . 2 2 52 52 GLU CA C 13 57.21 0.05 . 1 . . . . . . . . 5685 2 223 . 2 2 52 52 GLU HA H 1 4.27 0.02 . 1 . . . . . . . . 5685 2 224 . 2 2 52 52 GLU CB C 13 30.14 0.05 . 1 . . . . . . . . 5685 2 225 . 2 2 52 52 GLU HB3 H 1 1.97 0.02 . 2 . . . . . . . . 5685 2 226 . 2 2 52 52 GLU HB2 H 1 2.06 0.02 . 2 . . . . . . . . 5685 2 227 . 2 2 52 52 GLU CG C 13 36.29 0.05 . 1 . . . . . . . . 5685 2 228 . 2 2 52 52 GLU HG2 H 1 2.27 0.02 . 2 . . . . . . . . 5685 2 229 . 2 2 52 52 GLU C C 13 176.98 0.05 . 1 . . . . . . . . 5685 2 230 . 2 2 53 53 SER N N 15 116.07 0.05 . 1 . . . . . . . . 5685 2 231 . 2 2 53 53 SER H H 1 8.28 0.02 . 1 . . . . . . . . 5685 2 232 . 2 2 53 53 SER CA C 13 58.85 0.05 . 1 . . . . . . . . 5685 2 233 . 2 2 53 53 SER HA H 1 4.43 0.02 . 1 . . . . . . . . 5685 2 234 . 2 2 53 53 SER CB C 13 63.77 0.05 . 1 . . . . . . . . 5685 2 235 . 2 2 53 53 SER HB2 H 1 3.87 0.02 . 2 . . . . . . . . 5685 2 236 . 2 2 53 53 SER C C 13 174.90 0.05 . 1 . . . . . . . . 5685 2 237 . 2 2 54 54 SER N N 15 117.71 0.05 . 1 . . . . . . . . 5685 2 238 . 2 2 54 54 SER H H 1 8.25 0.02 . 1 . . . . . . . . 5685 2 239 . 2 2 54 54 SER CA C 13 58.69 0.05 . 1 . . . . . . . . 5685 2 240 . 2 2 54 54 SER HA H 1 4.44 0.02 . 1 . . . . . . . . 5685 2 241 . 2 2 54 54 SER CB C 13 63.75 0.05 . 1 . . . . . . . . 5685 2 242 . 2 2 54 54 SER HB2 H 1 3.89 0.02 . 2 . . . . . . . . 5685 2 243 . 2 2 54 54 SER C C 13 174.72 0.05 . 1 . . . . . . . . 5685 2 244 . 2 2 55 55 ARG N N 15 122.80 0.05 . 1 . . . . . . . . 5685 2 245 . 2 2 55 55 ARG H H 1 8.23 0.02 . 1 . . . . . . . . 5685 2 246 . 2 2 55 55 ARG CA C 13 56.46 0.05 . 1 . . . . . . . . 5685 2 247 . 2 2 55 55 ARG HA H 1 4.33 0.02 . 1 . . . . . . . . 5685 2 248 . 2 2 55 55 ARG CB C 13 30.82 0.05 . 1 . . . . . . . . 5685 2 249 . 2 2 55 55 ARG HB3 H 1 1.78 0.02 . 2 . . . . . . . . 5685 2 250 . 2 2 55 55 ARG HB2 H 1 1.87 0.02 . 2 . . . . . . . . 5685 2 251 . 2 2 55 55 ARG CG C 13 27.09 0.05 . 1 . . . . . . . . 5685 2 252 . 2 2 55 55 ARG HG2 H 1 1.63 0.02 . 2 . . . . . . . . 5685 2 253 . 2 2 55 55 ARG CD C 13 43.40 0.05 . 1 . . . . . . . . 5685 2 254 . 2 2 55 55 ARG HD2 H 1 3.18 0.02 . 2 . . . . . . . . 5685 2 255 . 2 2 55 55 ARG C C 13 176.51 0.05 . 1 . . . . . . . . 5685 2 256 . 2 2 56 56 GLU N N 15 121.64 0.05 . 1 . . . . . . . . 5685 2 257 . 2 2 56 56 GLU H H 1 8.40 0.02 . 1 . . . . . . . . 5685 2 258 . 2 2 56 56 GLU CA C 13 56.82 0.05 . 1 . . . . . . . . 5685 2 259 . 2 2 56 56 GLU HA H 1 4.29 0.02 . 1 . . . . . . . . 5685 2 260 . 2 2 56 56 GLU CB C 13 30.25 0.05 . 1 . . . . . . . . 5685 2 261 . 2 2 56 56 GLU HB3 H 1 1.95 0.02 . 2 . . . . . . . . 5685 2 262 . 2 2 56 56 GLU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 5685 2 263 . 2 2 56 56 GLU CG C 13 36.34 0.05 . 1 . . . . . . . . 5685 2 264 . 2 2 56 56 GLU HG2 H 1 2.26 0.02 . 2 . . . . . . . . 5685 2 265 . 2 2 56 56 GLU C C 13 176.63 0.05 . 1 . . . . . . . . 5685 2 266 . 2 2 57 57 SER N N 15 116.67 0.05 . 1 . . . . . . . . 5685 2 267 . 2 2 57 57 SER H H 1 8.31 0.02 . 1 . . . . . . . . 5685 2 268 . 2 2 57 57 SER CA C 13 58.38 0.05 . 1 . . . . . . . . 5685 2 269 . 2 2 57 57 SER HA H 1 4.51 0.02 . 1 . . . . . . . . 5685 2 270 . 2 2 57 57 SER CB C 13 63.99 0.05 . 1 . . . . . . . . 5685 2 271 . 2 2 57 57 SER HB2 H 1 3.88 0.02 . 2 . . . . . . . . 5685 2 272 . 2 2 57 57 SER C C 13 174.80 0.05 . 1 . . . . . . . . 5685 2 273 . 2 2 58 58 SER N N 15 117.99 0.05 . 1 . . . . . . . . 5685 2 274 . 2 2 58 58 SER H H 1 8.43 0.02 . 1 . . . . . . . . 5685 2 275 . 2 2 58 58 SER CA C 13 58.37 0.05 . 1 . . . . . . . . 5685 2 276 . 2 2 58 58 SER HA H 1 4.48 0.02 . 1 . . . . . . . . 5685 2 277 . 2 2 58 58 SER CB C 13 63.93 0.05 . 1 . . . . . . . . 5685 2 278 . 2 2 58 58 SER HB2 H 1 3.87 0.02 . 2 . . . . . . . . 5685 2 279 . 2 2 58 58 SER C C 13 174.34 0.05 . 1 . . . . . . . . 5685 2 280 . 2 2 59 59 ASN N N 15 120.88 0.05 . 1 . . . . . . . . 5685 2 281 . 2 2 59 59 ASN H H 1 8.47 0.02 . 1 . . . . . . . . 5685 2 282 . 2 2 59 59 ASN CA C 13 53.49 0.05 . 1 . . . . . . . . 5685 2 283 . 2 2 59 59 ASN HA H 1 4.71 0.02 . 1 . . . . . . . . 5685 2 284 . 2 2 59 59 ASN CB C 13 39.07 0.05 . 1 . . . . . . . . 5685 2 285 . 2 2 59 59 ASN HB2 H 1 2.79 0.02 . 2 . . . . . . . . 5685 2 286 . 2 2 59 59 ASN C C 13 175.37 0.05 . 1 . . . . . . . . 5685 2 287 . 2 2 60 60 GLU N N 15 121.14 0.05 . 1 . . . . . . . . 5685 2 288 . 2 2 60 60 GLU H H 1 8.40 0.02 . 1 . . . . . . . . 5685 2 289 . 2 2 60 60 GLU CA C 13 57.07 0.05 . 1 . . . . . . . . 5685 2 290 . 2 2 60 60 GLU HA H 1 4.22 0.02 . 1 . . . . . . . . 5685 2 291 . 2 2 60 60 GLU CB C 13 30.15 0.05 . 1 . . . . . . . . 5685 2 292 . 2 2 60 60 GLU HB2 H 1 1.94 0.02 . 2 . . . . . . . . 5685 2 293 . 2 2 60 60 GLU CG C 13 36.41 0.05 . 1 . . . . . . . . 5685 2 294 . 2 2 60 60 GLU HG2 H 1 2.24 0.02 . 2 . . . . . . . . 5685 2 295 . 2 2 60 60 GLU C C 13 176.55 0.05 . 1 . . . . . . . . 5685 2 296 . 2 2 61 61 ASP N N 15 121.21 0.05 . 1 . . . . . . . . 5685 2 297 . 2 2 61 61 ASP H H 1 8.26 0.02 . 1 . . . . . . . . 5685 2 298 . 2 2 61 61 ASP CA C 13 54.53 0.05 . 1 . . . . . . . . 5685 2 299 . 2 2 61 61 ASP HA H 1 4.57 0.02 . 1 . . . . . . . . 5685 2 300 . 2 2 61 61 ASP CB C 13 41.36 0.05 . 1 . . . . . . . . 5685 2 301 . 2 2 61 61 ASP HB2 H 1 2.66 0.02 . 2 . . . . . . . . 5685 2 302 . 2 2 61 61 ASP C C 13 176.50 0.05 . 1 . . . . . . . . 5685 2 303 . 2 2 62 62 GLU N N 15 121.86 0.05 . 1 . . . . . . . . 5685 2 304 . 2 2 62 62 GLU H H 1 8.38 0.02 . 1 . . . . . . . . 5685 2 305 . 2 2 62 62 GLU CA C 13 57.16 0.05 . 1 . . . . . . . . 5685 2 306 . 2 2 62 62 GLU HA H 1 4.24 0.02 . 1 . . . . . . . . 5685 2 307 . 2 2 62 62 GLU CB C 13 30.18 0.05 . 1 . . . . . . . . 5685 2 308 . 2 2 62 62 GLU HB2 H 1 1.95 0.02 . 2 . . . . . . . . 5685 2 309 . 2 2 62 62 GLU CG C 13 36.35 0.05 . 1 . . . . . . . . 5685 2 310 . 2 2 62 62 GLU HG2 H 1 2.26 0.02 . 2 . . . . . . . . 5685 2 311 . 2 2 62 62 GLU C C 13 177.30 0.05 . 1 . . . . . . . . 5685 2 312 . 2 2 63 63 GLY N N 15 109.60 0.05 . 1 . . . . . . . . 5685 2 313 . 2 2 63 63 GLY H H 1 8.46 0.02 . 1 . . . . . . . . 5685 2 314 . 2 2 63 63 GLY CA C 13 45.54 0.05 . 1 . . . . . . . . 5685 2 315 . 2 2 63 63 GLY HA3 H 1 3.99 0.02 . 1 . . . . . . . . 5685 2 316 . 2 2 63 63 GLY HA2 H 1 3.99 0.02 . 1 . . . . . . . . 5685 2 317 . 2 2 63 63 GLY C C 13 174.41 0.05 . 1 . . . . . . . . 5685 2 318 . 2 2 64 64 SER N N 15 115.57 0.05 . 1 . . . . . . . . 5685 2 319 . 2 2 64 64 SER H H 1 8.17 0.02 . 1 . . . . . . . . 5685 2 320 . 2 2 64 64 SER CA C 13 58.40 0.05 . 1 . . . . . . . . 5685 2 321 . 2 2 64 64 SER HA H 1 4.49 0.02 . 1 . . . . . . . . 5685 2 322 . 2 2 64 64 SER CB C 13 63.95 0.05 . 1 . . . . . . . . 5685 2 323 . 2 2 64 64 SER HB3 H 1 3.88 0.02 . 1 . . . . . . . . 5685 2 324 . 2 2 64 64 SER HB2 H 1 3.88 0.02 . 1 . . . . . . . . 5685 2 325 . 2 2 64 64 SER C C 13 174.53 0.05 . 1 . . . . . . . . 5685 2 326 . 2 2 65 65 SER N N 15 117.70 0.05 . 1 . . . . . . . . 5685 2 327 . 2 2 65 65 SER H H 1 8.37 0.02 . 1 . . . . . . . . 5685 2 328 . 2 2 65 65 SER CA C 13 58.78 0.05 . 1 . . . . . . . . 5685 2 329 . 2 2 65 65 SER HA H 1 4.54 0.02 . 1 . . . . . . . . 5685 2 330 . 2 2 65 65 SER CB C 13 63.88 0.05 . 1 . . . . . . . . 5685 2 331 . 2 2 65 65 SER HB3 H 1 4.01 0.02 . 2 . . . . . . . . 5685 2 332 . 2 2 65 65 SER HB2 H 1 3.91 0.02 . 2 . . . . . . . . 5685 2 333 . 2 2 65 65 SER C C 13 175.21 0.05 . 1 . . . . . . . . 5685 2 334 . 2 2 66 66 SER N N 15 118.64 0.05 . 1 . . . . . . . . 5685 2 335 . 2 2 66 66 SER H H 1 8.58 0.02 . 1 . . . . . . . . 5685 2 336 . 2 2 66 66 SER CA C 13 59.70 0.05 . 1 . . . . . . . . 5685 2 337 . 2 2 66 66 SER HA H 1 4.50 0.02 . 1 . . . . . . . . 5685 2 338 . 2 2 66 66 SER CB C 13 63.59 0.05 . 1 . . . . . . . . 5685 2 339 . 2 2 66 66 SER HB3 H 1 4.03 0.02 . 2 . . . . . . . . 5685 2 340 . 2 2 66 66 SER HB2 H 1 3.95 0.02 . 2 . . . . . . . . 5685 2 341 . 2 2 66 66 SER C C 13 174.79 0.05 . 1 . . . . . . . . 5685 2 342 . 2 2 67 67 GLU N N 15 122.80 0.05 . 1 . . . . . . . . 5685 2 343 . 2 2 67 67 GLU H H 1 8.45 0.02 . 1 . . . . . . . . 5685 2 344 . 2 2 67 67 GLU CA C 13 59.15 0.05 . 1 . . . . . . . . 5685 2 345 . 2 2 67 67 GLU HA H 1 4.21 0.02 . 1 . . . . . . . . 5685 2 346 . 2 2 67 67 GLU CB C 13 29.61 0.05 . 1 . . . . . . . . 5685 2 347 . 2 2 67 67 GLU HB3 H 1 2.11 0.02 . 1 . . . . . . . . 5685 2 348 . 2 2 67 67 GLU HB2 H 1 2.11 0.02 . 1 . . . . . . . . 5685 2 349 . 2 2 67 67 GLU CG C 13 36.52 0.05 . 1 . . . . . . . . 5685 2 350 . 2 2 67 67 GLU HG3 H 1 2.32 0.02 . 1 . . . . . . . . 5685 2 351 . 2 2 67 67 GLU HG2 H 1 2.32 0.02 . 1 . . . . . . . . 5685 2 352 . 2 2 67 67 GLU C C 13 177.97 0.05 . 1 . . . . . . . . 5685 2 353 . 2 2 68 68 ALA N N 15 122.16 0.05 . 1 . . . . . . . . 5685 2 354 . 2 2 68 68 ALA H H 1 8.14 0.02 . 1 . . . . . . . . 5685 2 355 . 2 2 68 68 ALA CA C 13 55.27 0.05 . 1 . . . . . . . . 5685 2 356 . 2 2 68 68 ALA HA H 1 4.13 0.02 . 1 . . . . . . . . 5685 2 357 . 2 2 68 68 ALA CB C 13 18.40 0.05 . 1 . . . . . . . . 5685 2 358 . 2 2 68 68 ALA HB1 H 1 1.47 0.02 . 1 . . . . . . . . 5685 2 359 . 2 2 68 68 ALA HB2 H 1 1.47 0.02 . 1 . . . . . . . . 5685 2 360 . 2 2 68 68 ALA HB3 H 1 1.47 0.02 . 1 . . . . . . . . 5685 2 361 . 2 2 68 68 ALA C C 13 179.46 0.05 . 1 . . . . . . . . 5685 2 362 . 2 2 69 69 ASP N N 15 118.26 0.05 . 1 . . . . . . . . 5685 2 363 . 2 2 69 69 ASP H H 1 7.98 0.02 . 1 . . . . . . . . 5685 2 364 . 2 2 69 69 ASP CA C 13 57.74 0.05 . 1 . . . . . . . . 5685 2 365 . 2 2 69 69 ASP HA H 1 4.35 0.02 . 1 . . . . . . . . 5685 2 366 . 2 2 69 69 ASP CB C 13 40.78 0.05 . 1 . . . . . . . . 5685 2 367 . 2 2 69 69 ASP HB3 H 1 2.84 0.02 . 2 . . . . . . . . 5685 2 368 . 2 2 69 69 ASP HB2 H 1 2.67 0.02 . 2 . . . . . . . . 5685 2 369 . 2 2 69 69 ASP C C 13 178.98 0.05 . 1 . . . . . . . . 5685 2 370 . 2 2 70 70 GLU N N 15 120.11 0.05 . 1 . . . . . . . . 5685 2 371 . 2 2 70 70 GLU H H 1 8.08 0.02 . 1 . . . . . . . . 5685 2 372 . 2 2 70 70 GLU CA C 13 59.25 0.05 . 1 . . . . . . . . 5685 2 373 . 2 2 70 70 GLU HA H 1 4.08 0.02 . 1 . . . . . . . . 5685 2 374 . 2 2 70 70 GLU CB C 13 29.38 0.05 . 1 . . . . . . . . 5685 2 375 . 2 2 70 70 GLU HB3 H 1 2.14 0.02 . 1 . . . . . . . . 5685 2 376 . 2 2 70 70 GLU HB2 H 1 2.14 0.02 . 1 . . . . . . . . 5685 2 377 . 2 2 70 70 GLU CG C 13 36.11 0.05 . 1 . . . . . . . . 5685 2 378 . 2 2 70 70 GLU HG3 H 1 2.40 0.02 . 2 . . . . . . . . 5685 2 379 . 2 2 70 70 GLU HG2 H 1 2.34 0.02 . 2 . . . . . . . . 5685 2 380 . 2 2 70 70 GLU C C 13 180.06 0.05 . 1 . . . . . . . . 5685 2 381 . 2 2 71 71 MET N N 15 119.77 0.05 . 1 . . . . . . . . 5685 2 382 . 2 2 71 71 MET H H 1 8.41 0.02 . 1 . . . . . . . . 5685 2 383 . 2 2 71 71 MET CA C 13 59.25 0.05 . 1 . . . . . . . . 5685 2 384 . 2 2 71 71 MET HA H 1 4.11 0.02 . 1 . . . . . . . . 5685 2 385 . 2 2 71 71 MET CB C 13 34.91 0.05 . 1 . . . . . . . . 5685 2 386 . 2 2 71 71 MET HB3 H 1 2.25 0.02 . 2 . . . . . . . . 5685 2 387 . 2 2 71 71 MET HB2 H 1 1.90 0.02 . 2 . . . . . . . . 5685 2 388 . 2 2 71 71 MET CG C 13 32.55 0.05 . 1 . . . . . . . . 5685 2 389 . 2 2 71 71 MET HG3 H 1 2.39 0.02 . 2 . . . . . . . . 5685 2 390 . 2 2 71 71 MET HG2 H 1 2.83 0.02 . 2 . . . . . . . . 5685 2 391 . 2 2 71 71 MET CE C 13 17.08 0.05 . 1 . . . . . . . . 5685 2 392 . 2 2 71 71 MET HE1 H 1 2.12 0.02 . 1 . . . . . . . . 5685 2 393 . 2 2 71 71 MET HE2 H 1 2.12 0.02 . 1 . . . . . . . . 5685 2 394 . 2 2 71 71 MET HE3 H 1 2.12 0.02 . 1 . . . . . . . . 5685 2 395 . 2 2 71 71 MET C C 13 177.55 0.05 . 1 . . . . . . . . 5685 2 396 . 2 2 72 72 ALA N N 15 121.76 0.05 . 1 . . . . . . . . 5685 2 397 . 2 2 72 72 ALA H H 1 8.26 0.02 . 1 . . . . . . . . 5685 2 398 . 2 2 72 72 ALA CA C 13 55.79 0.05 . 1 . . . . . . . . 5685 2 399 . 2 2 72 72 ALA HA H 1 3.85 0.02 . 1 . . . . . . . . 5685 2 400 . 2 2 72 72 ALA CB C 13 17.87 0.05 . 1 . . . . . . . . 5685 2 401 . 2 2 72 72 ALA HB1 H 1 1.48 0.02 . 1 . . . . . . . . 5685 2 402 . 2 2 72 72 ALA HB2 H 1 1.48 0.02 . 1 . . . . . . . . 5685 2 403 . 2 2 72 72 ALA HB3 H 1 1.48 0.02 . 1 . . . . . . . . 5685 2 404 . 2 2 72 72 ALA C C 13 179.74 0.05 . 1 . . . . . . . . 5685 2 405 . 2 2 73 73 LYS N N 15 118.19 0.05 . 1 . . . . . . . . 5685 2 406 . 2 2 73 73 LYS H H 1 7.61 0.02 . 1 . . . . . . . . 5685 2 407 . 2 2 73 73 LYS CA C 13 59.27 0.05 . 1 . . . . . . . . 5685 2 408 . 2 2 73 73 LYS HA H 1 4.06 0.02 . 1 . . . . . . . . 5685 2 409 . 2 2 73 73 LYS CB C 13 32.55 0.05 . 1 . . . . . . . . 5685 2 410 . 2 2 73 73 LYS HB3 H 1 1.91 0.02 . 1 . . . . . . . . 5685 2 411 . 2 2 73 73 LYS HB2 H 1 1.91 0.02 . 1 . . . . . . . . 5685 2 412 . 2 2 73 73 LYS CG C 13 25.15 0.05 . 1 . . . . . . . . 5685 2 413 . 2 2 73 73 LYS HG3 H 1 1.63 0.02 . 2 . . . . . . . . 5685 2 414 . 2 2 73 73 LYS HG2 H 1 1.47 0.02 . 2 . . . . . . . . 5685 2 415 . 2 2 73 73 LYS CD C 13 29.47 0.05 . 1 . . . . . . . . 5685 2 416 . 2 2 73 73 LYS HD3 H 1 1.70 0.02 . 1 . . . . . . . . 5685 2 417 . 2 2 73 73 LYS HD2 H 1 1.70 0.02 . 1 . . . . . . . . 5685 2 418 . 2 2 73 73 LYS CE C 13 42.11 0.05 . 1 . . . . . . . . 5685 2 419 . 2 2 73 73 LYS HE3 H 1 2.97 0.02 . 2 . . . . . . . . 5685 2 420 . 2 2 73 73 LYS C C 13 179.40 0.05 . 1 . . . . . . . . 5685 2 421 . 2 2 74 74 ALA N N 15 122.80 0.05 . 1 . . . . . . . . 5685 2 422 . 2 2 74 74 ALA H H 1 7.74 0.02 . 1 . . . . . . . . 5685 2 423 . 2 2 74 74 ALA CA C 13 54.92 0.05 . 1 . . . . . . . . 5685 2 424 . 2 2 74 74 ALA HA H 1 4.21 0.02 . 1 . . . . . . . . 5685 2 425 . 2 2 74 74 ALA CB C 13 18.40 0.05 . 1 . . . . . . . . 5685 2 426 . 2 2 74 74 ALA HB1 H 1 1.58 0.02 . 1 . . . . . . . . 5685 2 427 . 2 2 74 74 ALA HB2 H 1 1.58 0.02 . 1 . . . . . . . . 5685 2 428 . 2 2 74 74 ALA HB3 H 1 1.58 0.02 . 1 . . . . . . . . 5685 2 429 . 2 2 74 74 ALA C C 13 180.26 0.05 . 1 . . . . . . . . 5685 2 430 . 2 2 75 75 LEU N N 15 120.01 0.05 . 1 . . . . . . . . 5685 2 431 . 2 2 75 75 LEU H H 1 8.62 0.02 . 1 . . . . . . . . 5685 2 432 . 2 2 75 75 LEU CA C 13 57.95 0.05 . 1 . . . . . . . . 5685 2 433 . 2 2 75 75 LEU HA H 1 4.06 0.02 . 1 . . . . . . . . 5685 2 434 . 2 2 75 75 LEU CB C 13 41.95 0.05 . 1 . . . . . . . . 5685 2 435 . 2 2 75 75 LEU HB3 H 1 1.98 0.02 . 2 . . . . . . . . 5685 2 436 . 2 2 75 75 LEU HB2 H 1 1.57 0.02 . 2 . . . . . . . . 5685 2 437 . 2 2 75 75 LEU CG C 13 27.74 0.05 . 1 . . . . . . . . 5685 2 438 . 2 2 75 75 LEU HG H 1 1.57 0.02 . 1 . . . . . . . . 5685 2 439 . 2 2 75 75 LEU CD1 C 13 26.34 0.05 . 1 . . . . . . . . 5685 2 440 . 2 2 75 75 LEU HD11 H 1 0.84 0.02 . 2 . . . . . . . . 5685 2 441 . 2 2 75 75 LEU HD12 H 1 0.84 0.02 . 2 . . . . . . . . 5685 2 442 . 2 2 75 75 LEU HD13 H 1 0.84 0.02 . 2 . . . . . . . . 5685 2 443 . 2 2 75 75 LEU CD2 C 13 23.87 0.05 . 1 . . . . . . . . 5685 2 444 . 2 2 75 75 LEU HD21 H 1 0.98 0.02 . 2 . . . . . . . . 5685 2 445 . 2 2 75 75 LEU HD22 H 1 0.98 0.02 . 2 . . . . . . . . 5685 2 446 . 2 2 75 75 LEU HD23 H 1 0.98 0.02 . 2 . . . . . . . . 5685 2 447 . 2 2 75 75 LEU C C 13 178.04 0.05 . 1 . . . . . . . . 5685 2 448 . 2 2 76 76 GLU N N 15 117.71 0.05 . 1 . . . . . . . . 5685 2 449 . 2 2 76 76 GLU H H 1 8.25 0.02 . 1 . . . . . . . . 5685 2 450 . 2 2 76 76 GLU CA C 13 60.60 0.05 . 1 . . . . . . . . 5685 2 451 . 2 2 76 76 GLU HA H 1 3.81 0.02 . 1 . . . . . . . . 5685 2 452 . 2 2 76 76 GLU CB C 13 29.21 0.05 . 1 . . . . . . . . 5685 2 453 . 2 2 76 76 GLU HB3 H 1 2.18 0.02 . 2 . . . . . . . . 5685 2 454 . 2 2 76 76 GLU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 5685 2 455 . 2 2 76 76 GLU CG C 13 37.85 0.05 . 1 . . . . . . . . 5685 2 456 . 2 2 76 76 GLU HG3 H 1 2.65 0.02 . 2 . . . . . . . . 5685 2 457 . 2 2 76 76 GLU HG2 H 1 2.29 0.02 . 2 . . . . . . . . 5685 2 458 . 2 2 76 76 GLU C C 13 178.92 0.05 . 1 . . . . . . . . 5685 2 459 . 2 2 77 77 ALA N N 15 120.19 0.05 . 1 . . . . . . . . 5685 2 460 . 2 2 77 77 ALA H H 1 7.74 0.02 . 1 . . . . . . . . 5685 2 461 . 2 2 77 77 ALA CA C 13 54.98 0.05 . 1 . . . . . . . . 5685 2 462 . 2 2 77 77 ALA HA H 1 4.21 0.02 . 1 . . . . . . . . 5685 2 463 . 2 2 77 77 ALA CB C 13 17.98 0.05 . 1 . . . . . . . . 5685 2 464 . 2 2 77 77 ALA HB1 H 1 1.54 0.02 . 1 . . . . . . . . 5685 2 465 . 2 2 77 77 ALA HB2 H 1 1.54 0.02 . 1 . . . . . . . . 5685 2 466 . 2 2 77 77 ALA HB3 H 1 1.54 0.02 . 1 . . . . . . . . 5685 2 467 . 2 2 77 77 ALA C C 13 180.34 0.05 . 1 . . . . . . . . 5685 2 468 . 2 2 78 78 GLU N N 15 117.69 0.05 . 1 . . . . . . . . 5685 2 469 . 2 2 78 78 GLU H H 1 7.74 0.02 . 1 . . . . . . . . 5685 2 470 . 2 2 78 78 GLU CA C 13 58.27 0.05 . 1 . . . . . . . . 5685 2 471 . 2 2 78 78 GLU HA H 1 4.15 0.02 . 1 . . . . . . . . 5685 2 472 . 2 2 78 78 GLU CB C 13 29.65 0.05 . 1 . . . . . . . . 5685 2 473 . 2 2 78 78 GLU HB3 H 1 2.11 0.02 . 2 . . . . . . . . 5685 2 474 . 2 2 78 78 GLU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 5685 2 475 . 2 2 78 78 GLU CG C 13 35.48 0.05 . 1 . . . . . . . . 5685 2 476 . 2 2 78 78 GLU HG3 H 1 2.33 0.02 . 2 . . . . . . . . 5685 2 477 . 2 2 78 78 GLU HG2 H 1 2.20 0.02 . 2 . . . . . . . . 5685 2 478 . 2 2 78 78 GLU C C 13 178.27 0.05 . 1 . . . . . . . . 5685 2 479 . 2 2 79 79 LEU N N 15 117.29 0.05 . 1 . . . . . . . . 5685 2 480 . 2 2 79 79 LEU H H 1 7.75 0.02 . 1 . . . . . . . . 5685 2 481 . 2 2 79 79 LEU CA C 13 55.39 0.05 . 1 . . . . . . . . 5685 2 482 . 2 2 79 79 LEU HA H 1 4.28 0.02 . 1 . . . . . . . . 5685 2 483 . 2 2 79 79 LEU CB C 13 41.71 0.05 . 1 . . . . . . . . 5685 2 484 . 2 2 79 79 LEU HB3 H 1 1.77 0.02 . 2 . . . . . . . . 5685 2 485 . 2 2 79 79 LEU HB2 H 1 1.70 0.02 . 2 . . . . . . . . 5685 2 486 . 2 2 79 79 LEU CG C 13 26.68 0.05 . 1 . . . . . . . . 5685 2 487 . 2 2 79 79 LEU HG H 1 1.84 0.02 . 1 . . . . . . . . 5685 2 488 . 2 2 79 79 LEU CD1 C 13 26.31 0.05 . 1 . . . . . . . . 5685 2 489 . 2 2 79 79 LEU HD11 H 1 0.73 0.02 . 2 . . . . . . . . 5685 2 490 . 2 2 79 79 LEU HD12 H 1 0.73 0.02 . 2 . . . . . . . . 5685 2 491 . 2 2 79 79 LEU HD13 H 1 0.73 0.02 . 2 . . . . . . . . 5685 2 492 . 2 2 79 79 LEU CD2 C 13 23.35 0.05 . 1 . . . . . . . . 5685 2 493 . 2 2 79 79 LEU HD21 H 1 0.81 0.02 . 2 . . . . . . . . 5685 2 494 . 2 2 79 79 LEU HD22 H 1 0.81 0.02 . 2 . . . . . . . . 5685 2 495 . 2 2 79 79 LEU HD23 H 1 0.81 0.02 . 2 . . . . . . . . 5685 2 496 . 2 2 79 79 LEU C C 13 177.80 0.05 . 1 . . . . . . . . 5685 2 497 . 2 2 80 80 ASN N N 15 117.96 0.05 . 1 . . . . . . . . 5685 2 498 . 2 2 80 80 ASN H H 1 7.74 0.02 . 1 . . . . . . . . 5685 2 499 . 2 2 80 80 ASN CA C 13 54.91 0.05 . 1 . . . . . . . . 5685 2 500 . 2 2 80 80 ASN HA H 1 4.62 0.02 . 1 . . . . . . . . 5685 2 501 . 2 2 80 80 ASN CB C 13 39.00 0.05 . 1 . . . . . . . . 5685 2 502 . 2 2 80 80 ASN HB3 H 1 2.88 0.02 . 1 . . . . . . . . 5685 2 503 . 2 2 80 80 ASN HB2 H 1 2.88 0.02 . 1 . . . . . . . . 5685 2 504 . 2 2 80 80 ASN HD21 H 1 7.62 0.02 . 2 . . . . . . . . 5685 2 505 . 2 2 80 80 ASN HD22 H 1 6.87 0.02 . 2 . . . . . . . . 5685 2 506 . 2 2 80 80 ASN C C 13 175.65 0.05 . 1 . . . . . . . . 5685 2 507 . 2 2 81 81 ASP N N 15 118.92 0.05 . 1 . . . . . . . . 5685 2 508 . 2 2 81 81 ASP H H 1 8.09 0.02 . 1 . . . . . . . . 5685 2 509 . 2 2 81 81 ASP CA C 13 54.91 0.05 . 1 . . . . . . . . 5685 2 510 . 2 2 81 81 ASP HA H 1 4.63 0.02 . 1 . . . . . . . . 5685 2 511 . 2 2 81 81 ASP CB C 13 40.80 0.05 . 1 . . . . . . . . 5685 2 512 . 2 2 81 81 ASP HB3 H 1 2.75 0.02 . 2 . . . . . . . . 5685 2 513 . 2 2 81 81 ASP HB2 H 1 2.69 0.02 . 2 . . . . . . . . 5685 2 514 . 2 2 81 81 ASP C C 13 176.24 0.05 . 1 . . . . . . . . 5685 2 515 . 2 2 82 82 LEU N N 15 120.77 0.05 . 1 . . . . . . . . 5685 2 516 . 2 2 82 82 LEU H H 1 7.86 0.02 . 1 . . . . . . . . 5685 2 517 . 2 2 82 82 LEU CA C 13 55.40 0.05 . 1 . . . . . . . . 5685 2 518 . 2 2 82 82 LEU HA H 1 4.37 0.02 . 1 . . . . . . . . 5685 2 519 . 2 2 82 82 LEU CB C 13 42.67 0.05 . 1 . . . . . . . . 5685 2 520 . 2 2 82 82 LEU HB3 H 1 1.72 0.02 . 2 . . . . . . . . 5685 2 521 . 2 2 82 82 LEU HB2 H 1 1.68 0.02 . 2 . . . . . . . . 5685 2 522 . 2 2 82 82 LEU CG C 13 27.06 0.05 . 1 . . . . . . . . 5685 2 523 . 2 2 82 82 LEU HG H 1 1.74 0.02 . 1 . . . . . . . . 5685 2 524 . 2 2 82 82 LEU CD1 C 13 25.68 0.05 . 1 . . . . . . . . 5685 2 525 . 2 2 82 82 LEU HD11 H 1 0.92 0.02 . 2 . . . . . . . . 5685 2 526 . 2 2 82 82 LEU HD12 H 1 0.92 0.02 . 2 . . . . . . . . 5685 2 527 . 2 2 82 82 LEU HD13 H 1 0.92 0.02 . 2 . . . . . . . . 5685 2 528 . 2 2 82 82 LEU CD2 C 13 23.60 0.05 . 1 . . . . . . . . 5685 2 529 . 2 2 82 82 LEU HD21 H 1 0.89 0.02 . 2 . . . . . . . . 5685 2 530 . 2 2 82 82 LEU HD22 H 1 0.89 0.02 . 2 . . . . . . . . 5685 2 531 . 2 2 82 82 LEU HD23 H 1 0.89 0.02 . 2 . . . . . . . . 5685 2 532 . 2 2 82 82 LEU C C 13 176.51 0.05 . 1 . . . . . . . . 5685 2 533 . 2 2 83 83 MET N N 15 125.25 0.05 . 1 . . . . . . . . 5685 2 534 . 2 2 83 83 MET H H 1 7.77 0.02 . 1 . . . . . . . . 5685 2 535 . 2 2 83 83 MET CA C 13 57.25 0.05 . 1 . . . . . . . . 5685 2 536 . 2 2 83 83 MET HA H 1 4.27 0.02 . 1 . . . . . . . . 5685 2 537 . 2 2 83 83 MET CB C 13 33.88 0.05 . 1 . . . . . . . . 5685 2 538 . 2 2 83 83 MET HB3 H 1 2.11 0.02 . 2 . . . . . . . . 5685 2 539 . 2 2 83 83 MET HB2 H 1 2.01 0.02 . 2 . . . . . . . . 5685 2 540 . 2 2 83 83 MET CG C 13 32.51 0.05 . 1 . . . . . . . . 5685 2 541 . 2 2 83 83 MET HG3 H 1 2.58 0.02 . 2 . . . . . . . . 5685 2 542 . 2 2 83 83 MET HG2 H 1 2.54 0.02 . 2 . . . . . . . . 5685 2 543 . 2 2 83 83 MET CE C 13 17.17 0.05 . 1 . . . . . . . . 5685 2 544 . 2 2 83 83 MET HE1 H 1 2.09 0.02 . 1 . . . . . . . . 5685 2 545 . 2 2 83 83 MET HE2 H 1 2.09 0.02 . 1 . . . . . . . . 5685 2 546 . 2 2 83 83 MET HE3 H 1 2.09 0.02 . 1 . . . . . . . . 5685 2 stop_ save_