data_17312 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17312 _Entry.Title ; Tah1 complexed by MEEVD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-22 _Entry.Accession_date 2010-11-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Beatriz Jimenez . . . 17312 2 Francisca Ugwu . . . 17312 3 Rongmin Zhao . . . 17312 4 Leticia Orti . . . 17312 5 Walid Houry . A. . 17312 6 Antonio Pineda-Lucena . . . 17312 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17312 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Structural Biochemistry Laboratory, CIPF (Centro de Investigacion Principe Felipe)' . 17312 2 . 'Department of Biochemistry, University of Toronto' . 17312 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 17312 'tetratricopeptide repeat (TPR)' . 17312 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17312 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 537 17312 '15N chemical shifts' 117 17312 '1H chemical shifts' 839 17312 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 2 . . 2014-05-14 2010-11-22 update BMRB 'update entry citation' 17312 1 . . 2012-01-04 2010-11-22 original author 'original release' 17312 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17312 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22179618 _Citation.Full_citation . _Citation.Title 'Structure of minimal tetratricopeptide repeat domain protein Tah1 reveals mechanism of its interaction with Pih1 and Hsp90.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 8 _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 5698 _Citation.Page_last 5709 _Citation.Year 2012 _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 Beatriz Jimenez . . . 17312 1 2 Francisca Ugwu . . . 17312 1 3 Rongmin Zhao . . . 17312 1 4 Leticia Orti . . . 17312 1 5 Taras Makhnevych . . . 17312 1 6 Antonio Pineda-Lucena . . . 17312 1 7 Walid Houry . A. . 17312 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 17312 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR Assignment of Tah1 protein bound to C-terminus of Hsp90' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Beatriz Jimenez . . . 17312 2 2 David Pantoja-Uceda . . . 17312 2 3 Cheryl Hawkins . . . 17312 2 4 Leticia Orti . . . 17312 2 5 Rongmin Zhao . . . 17312 2 6 Walid Houry . A. . 17312 2 7 Antonio Pineda-Lucena . . . 17312 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17312 _Assembly.ID 1 _Assembly.Name 'Tah1 complex with C-terminus of Hsp90 (MEEVD)' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13230.7 _Assembly.Enzyme_commission_number . _Assembly.Details 'Tah1, a tetratricopeptide repeat protein, complex with the acetilated penta-peptide MEEVD that corresponds to the C-Terminus of Hsp90' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'molecule 1' 1 $Tah1 A . yes native no no . . . 17312 1 2 'molecule 2' 2 $MEEVD B . yes native no yes . . . 17312 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tah1 _Entity.Sf_category entity _Entity.Sf_framecode Tah1 _Entity.Entry_ID 17312 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Tah1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID 1 _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSQFEKQKEQGNSLFKQGLY REAVHCYDQLITAQPQNPVG YSNKAMALIKLGEYTQAIQM CQQGLRYTSTAEHVAIRSKL QYRLELAQGAVGSVQIPVVE VDELPEGYDRS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Tah1 is a TPR repeat-containing protein associated with Hsp90' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment Tah1 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12567 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P25638 . TAH1_YEAST . . . . . . . . . . . . . . 17312 1 2 no BMRB 18445 . entity . . . . . 99.10 110 100.00 100.00 1.19e-73 . . . . 17312 1 3 no BMRB 18447 . entity_1 . . . . . 99.10 110 100.00 100.00 1.19e-73 . . . . 17312 1 4 no PDB 2L6J . "Tah1 Complexed By Meevd" . . . . . 100.00 111 100.00 100.00 1.34e-74 . . . . 17312 1 5 no PDB 2LSU . "The Nmr High Resolution Structure Of Yeast Tah1 In A Free Form" . . . . . 99.10 110 100.00 100.00 1.19e-73 . . . . 17312 1 6 no PDB 2LSV . "The Nmr High Resolution Structure Of Yeast Tah1 In Complex With The Hsp90 C-terminal Tail" . . . . . 99.10 110 100.00 100.00 1.19e-73 . . . . 17312 1 7 no PDB 4CGQ . "Full Length Tah1 Bound To Hsp90 Peptide Srmeevd" . . . . . 99.10 111 98.18 98.18 1.78e-71 . . . . 17312 1 8 no PDB 4CGU . "Full Length Tah1 Bound To Yeast Pih1 And Hsp90 Peptide Srmeevd" . . . . . 99.10 112 98.18 98.18 1.72e-71 . . . . 17312 1 9 no DBJ GAA21965 . "K7_Tah1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 111 97.30 98.20 1.37e-72 . . . . 17312 1 10 no EMBL CAA42288 . "hypothetical protein [Saccharomyces cerevisiae]" . . . . . 100.00 111 100.00 100.00 1.34e-74 . . . . 17312 1 11 no EMBL CAY78265 . "Tah1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 111 100.00 100.00 1.34e-74 . . . . 17312 1 12 no GB AAS56477 . "YCR060W [Saccharomyces cerevisiae]" . . . . . 100.00 111 100.00 100.00 1.34e-74 . . . . 17312 1 13 no GB AHN96120 . "TAH1 [synthetic construct]" . . . . . 100.00 111 100.00 100.00 1.34e-74 . . . . 17312 1 14 no GB AHV79323 . "TAH1 [synthetic construct]" . . . . . 100.00 111 100.00 100.00 1.34e-74 . . . . 17312 1 15 no GB AHY79733 . "Tah1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 111 100.00 100.00 1.34e-74 . . . . 17312 1 16 no GB AJP37484 . "Tah1p [Saccharomyces cerevisiae YJM1078]" . . . . . 100.00 111 100.00 100.00 1.34e-74 . . . . 17312 1 17 no REF NP_009986 . "Tah1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 111 100.00 100.00 1.34e-74 . . . . 17312 1 18 no SP P25638 . "RecName: Full=TPR repeat-containing protein associated with Hsp90" . . . . . 100.00 111 100.00 100.00 1.34e-74 . . . . 17312 1 19 no TPG DAA07534 . "TPA: Tah1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 111 100.00 100.00 1.34e-74 . . . . 17312 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Hsp90 Co-factor' 17312 1 'Pih1 Co-factor' 17312 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 . MET . 17312 1 2 . SER . 17312 1 3 . GLN . 17312 1 4 . PHE . 17312 1 5 . GLU . 17312 1 6 . LYS . 17312 1 7 . GLN . 17312 1 8 . LYS . 17312 1 9 . GLU . 17312 1 10 . GLN . 17312 1 11 . GLY . 17312 1 12 . ASN . 17312 1 13 . SER . 17312 1 14 . LEU . 17312 1 15 . PHE . 17312 1 16 . LYS . 17312 1 17 . GLN . 17312 1 18 . GLY . 17312 1 19 . LEU . 17312 1 20 . TYR . 17312 1 21 . ARG . 17312 1 22 . GLU . 17312 1 23 . ALA . 17312 1 24 . VAL . 17312 1 25 . HIS . 17312 1 26 . CYS . 17312 1 27 . TYR . 17312 1 28 . ASP . 17312 1 29 . GLN . 17312 1 30 . LEU . 17312 1 31 . ILE . 17312 1 32 . THR . 17312 1 33 . ALA . 17312 1 34 . GLN . 17312 1 35 . PRO . 17312 1 36 . GLN . 17312 1 37 . ASN . 17312 1 38 . PRO . 17312 1 39 . VAL . 17312 1 40 . GLY . 17312 1 41 . TYR . 17312 1 42 . SER . 17312 1 43 . ASN . 17312 1 44 . LYS . 17312 1 45 . ALA . 17312 1 46 . MET . 17312 1 47 . ALA . 17312 1 48 . LEU . 17312 1 49 . ILE . 17312 1 50 . LYS . 17312 1 51 . LEU . 17312 1 52 . GLY . 17312 1 53 . GLU . 17312 1 54 . TYR . 17312 1 55 . THR . 17312 1 56 . GLN . 17312 1 57 . ALA . 17312 1 58 . ILE . 17312 1 59 . GLN . 17312 1 60 . MET . 17312 1 61 . CYS . 17312 1 62 . GLN . 17312 1 63 . GLN . 17312 1 64 . GLY . 17312 1 65 . LEU . 17312 1 66 . ARG . 17312 1 67 . TYR . 17312 1 68 . THR . 17312 1 69 . SER . 17312 1 70 . THR . 17312 1 71 . ALA . 17312 1 72 . GLU . 17312 1 73 . HIS . 17312 1 74 . VAL . 17312 1 75 . ALA . 17312 1 76 . ILE . 17312 1 77 . ARG . 17312 1 78 . SER . 17312 1 79 . LYS . 17312 1 80 . LEU . 17312 1 81 . GLN . 17312 1 82 . TYR . 17312 1 83 . ARG . 17312 1 84 . LEU . 17312 1 85 . GLU . 17312 1 86 . LEU . 17312 1 87 . ALA . 17312 1 88 . GLN . 17312 1 89 . GLY . 17312 1 90 . ALA . 17312 1 91 . VAL . 17312 1 92 . GLY . 17312 1 93 . SER . 17312 1 94 . VAL . 17312 1 95 . GLN . 17312 1 96 . ILE . 17312 1 97 . PRO . 17312 1 98 . VAL . 17312 1 99 . VAL . 17312 1 100 . GLU . 17312 1 101 . VAL . 17312 1 102 . ASP . 17312 1 103 . GLU . 17312 1 104 . LEU . 17312 1 105 . PRO . 17312 1 106 . GLU . 17312 1 107 . GLY . 17312 1 108 . TYR . 17312 1 109 . ASP . 17312 1 110 . ARG . 17312 1 111 . SER . 17312 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 . MET 1 1 17312 1 . SER 2 2 17312 1 . GLN 3 3 17312 1 . PHE 4 4 17312 1 . GLU 5 5 17312 1 . LYS 6 6 17312 1 . GLN 7 7 17312 1 . LYS 8 8 17312 1 . GLU 9 9 17312 1 . GLN 10 10 17312 1 . GLY 11 11 17312 1 . ASN 12 12 17312 1 . SER 13 13 17312 1 . LEU 14 14 17312 1 . PHE 15 15 17312 1 . LYS 16 16 17312 1 . GLN 17 17 17312 1 . GLY 18 18 17312 1 . LEU 19 19 17312 1 . TYR 20 20 17312 1 . ARG 21 21 17312 1 . GLU 22 22 17312 1 . ALA 23 23 17312 1 . VAL 24 24 17312 1 . HIS 25 25 17312 1 . CYS 26 26 17312 1 . TYR 27 27 17312 1 . ASP 28 28 17312 1 . GLN 29 29 17312 1 . LEU 30 30 17312 1 . ILE 31 31 17312 1 . THR 32 32 17312 1 . ALA 33 33 17312 1 . GLN 34 34 17312 1 . PRO 35 35 17312 1 . GLN 36 36 17312 1 . ASN 37 37 17312 1 . PRO 38 38 17312 1 . VAL 39 39 17312 1 . GLY 40 40 17312 1 . TYR 41 41 17312 1 . SER 42 42 17312 1 . ASN 43 43 17312 1 . LYS 44 44 17312 1 . ALA 45 45 17312 1 . MET 46 46 17312 1 . ALA 47 47 17312 1 . LEU 48 48 17312 1 . ILE 49 49 17312 1 . LYS 50 50 17312 1 . LEU 51 51 17312 1 . GLY 52 52 17312 1 . GLU 53 53 17312 1 . TYR 54 54 17312 1 . THR 55 55 17312 1 . GLN 56 56 17312 1 . ALA 57 57 17312 1 . ILE 58 58 17312 1 . GLN 59 59 17312 1 . MET 60 60 17312 1 . CYS 61 61 17312 1 . GLN 62 62 17312 1 . GLN 63 63 17312 1 . GLY 64 64 17312 1 . LEU 65 65 17312 1 . ARG 66 66 17312 1 . TYR 67 67 17312 1 . THR 68 68 17312 1 . SER 69 69 17312 1 . THR 70 70 17312 1 . ALA 71 71 17312 1 . GLU 72 72 17312 1 . HIS 73 73 17312 1 . VAL 74 74 17312 1 . ALA 75 75 17312 1 . ILE 76 76 17312 1 . ARG 77 77 17312 1 . SER 78 78 17312 1 . LYS 79 79 17312 1 . LEU 80 80 17312 1 . GLN 81 81 17312 1 . TYR 82 82 17312 1 . ARG 83 83 17312 1 . LEU 84 84 17312 1 . GLU 85 85 17312 1 . LEU 86 86 17312 1 . ALA 87 87 17312 1 . GLN 88 88 17312 1 . GLY 89 89 17312 1 . ALA 90 90 17312 1 . VAL 91 91 17312 1 . GLY 92 92 17312 1 . SER 93 93 17312 1 . VAL 94 94 17312 1 . GLN 95 95 17312 1 . ILE 96 96 17312 1 . PRO 97 97 17312 1 . VAL 98 98 17312 1 . VAL 99 99 17312 1 . GLU 100 100 17312 1 . VAL 101 101 17312 1 . ASP 102 102 17312 1 . GLU 103 103 17312 1 . LEU 104 104 17312 1 . PRO 105 105 17312 1 . GLU 106 106 17312 1 . GLY 107 107 17312 1 . TYR 108 108 17312 1 . ASP 109 109 17312 1 . ARG 110 110 17312 1 . SER 111 111 17312 1 stop_ save_ save_MEEVD _Entity.Sf_category entity _Entity.Sf_framecode MEEVD _Entity.Entry_ID 17312 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name MEEVD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID 2 _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code MEEVD _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Pentapeptide: Ac-MEEVD It is the C-terminus part of Hsp90' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 5 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12567 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 720 MET . 17312 2 2 721 GLU . 17312 2 3 722 GLU . 17312 2 4 723 VAL . 17312 2 5 724 ASP . 17312 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 . MET 1 1 17312 2 . GLU 2 2 17312 2 . GLU 3 3 17312 2 . VAL 4 4 17312 2 . ASP 5 5 17312 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 17312 _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 $Tah1 . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . 'TAH1 YCR060W YCR60W' . . . . 17312 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 17312 _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 $Tah1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' gold . . . . . . . . . . . . . . pRIL . . . . . . 17312 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17312 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tah1 '[U-99% 15N]' . . 1 $Tah1 . . 1 . . mM . . . . 17312 1 2 Ac-MEEVD 'natural abundance' . . 2 $MEEVD . . 2 . . mM . . . . 17312 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17312 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17312 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17312 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17312 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17312 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tah1 '[U-99% 13C; U-99% 15N]' . . 1 $Tah1 . . 1 . . mM . . . . 17312 2 2 Ac-MEEVD 'natural abundance' . . 2 $MEEVD . . 2 . . mM . . . . 17312 2 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17312 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17312 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17312 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17312 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17312 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tah1 'natural abundance' . . 1 $Tah1 . . 800 . . uM . . . . 17312 3 2 Ac-MEEVD 'natural abundance' . . 2 $MEEVD . . 1.6 . . mM . . . . 17312 3 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17312 3 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17312 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17312 3 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17312 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17312 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tah1 '[U-98% 13C; U-98% 15N]' . . 1 $Tah1 . . 1 . . mM . . . . 17312 4 2 Ac-MEEVD 'natural abundance' . . 2 $MEEVD . . 2 . . mM . . . . 17312 4 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17312 4 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17312 4 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17312 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17312 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; Ac-MEEVD in relation 2:1 to Tah1 25 mM Na2HPO4 100 mM NaCl ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1375 . M 17312 1 pH 8 . pH 17312 1 pressure 1 . atm 17312 1 temperature 293 . K 17312 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17312 _Software.ID 1 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Prof. Wuthrich Group' 'Prof. Kurt W thrich Institute of Molecular Biology and Biophysics ETH H nggerberg CH-8093 Z rich' . 17312 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17312 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17312 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17312 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17312 2 processing 17312 2 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 17312 _Software.ID 3 _Software.Name UNIO _Software.Version 1.0.4 _Software.Details 'UNIO integrates in the same interface MATCH, ATNOS/ASCAN and ATNOS/CANDID. Just ATNOS/CANDID has been used for this project' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Torsten Herrmann Copyright 2002-2010' ; Dr. Torsten Herrmann Centre Europ en de RMN Tr s Hauts Champs Universit de Lyon/FRE 3008 CNRS / ENS Lyon 5 rue de la Doua 69100 Villeurbanne, France ; torsten.herrmann@ens-lyon.fr 17312 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17312 3 'peak picking' 17312 3 'structure solution' 17312 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17312 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17312 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17312 4 'structure solution' 17312 4 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17312 _Software.ID 5 _Software.Name AMBER _Software.Version 10 _Software.Details 'The e-NMR GRID-enabled web portal Amber version has been used.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' ; AMBER Software Administrator CCB Graduate Program; MC 2280 University of California, San Francisco 600 16th St. Room 522 San Francisco, CA 94158-2517 Phone: (415) 502-6518 Fax: (415) 514-1546 ; ; amber-admin@biomaps.rutgers.edu amber@ambermd.org ; 17312 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17312 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17312 _Software.ID 6 _Software.Name TALOS _Software.Version original _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' ; Frank Delaglio, Ph.D. (CONTRACTOR) Software Science Consultant. Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD 20892-0520, USA ; delaglio@nih.gov 17312 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17312 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17312 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'It is equipped with a TCI cryo-probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17312 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'It is equipped with a TCI cryo-probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17312 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'It is equipped with a TCI cryo-probe' . . 17312 1 2 spectrometer_2 Bruker Avance . 900 'It is equipped with a TCI cryo-probe' . . 17312 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 17312 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17312 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17312 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17312 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17312 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17312 1 6 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17312 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17312 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17312 1 9 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17312 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17312 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17312 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17312 1 13 '2D 15N edited 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17312 1 14 '2D 13C-13C COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17312 1 15 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17312 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17312 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 17312 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 17312 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 17312 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17312 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17312 1 2 '2D 1H-13C HSQC' . . . 17312 1 3 '2D 1H-1H NOESY' . . . 17312 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 17312 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLN HA H 1 4.329 0.020 . 1 . . . . 3 GLN HA . 17312 1 2 . 1 1 3 3 GLN HB2 H 1 1.894 0.020 . 2 . . . . 3 GLN HB2 . 17312 1 3 . 1 1 3 3 GLN HB3 H 1 1.827 0.020 . 2 . . . . 3 GLN HB3 . 17312 1 4 . 1 1 3 3 GLN HE21 H 1 7.484 0.020 . 2 . . . . 3 GLN HE21 . 17312 1 5 . 1 1 3 3 GLN HE22 H 1 6.819 0.020 . 2 . . . . 3 GLN HE22 . 17312 1 6 . 1 1 3 3 GLN C C 13 179.476 0.300 . 1 . . . . 3 GLN C . 17312 1 7 . 1 1 3 3 GLN CA C 13 58.879 0.300 . 1 . . . . 3 GLN CA . 17312 1 8 . 1 1 3 3 GLN CB C 13 30.188 0.300 . 1 . . . . 3 GLN CB . 17312 1 9 . 1 1 3 3 GLN CD C 13 180.472 0.300 . 1 . . . . 3 GLN CD . 17312 1 10 . 1 1 3 3 GLN NE2 N 15 112.947 0.300 . 1 . . . . 3 GLN NE2 . 17312 1 11 . 1 1 4 4 PHE H H 1 8.019 0.020 . 1 . . . . 4 PHE H . 17312 1 12 . 1 1 4 4 PHE HA H 1 3.942 0.020 . 1 . . . . 4 PHE HA . 17312 1 13 . 1 1 4 4 PHE HB2 H 1 3.073 0.020 . 2 . . . . 4 PHE HB2 . 17312 1 14 . 1 1 4 4 PHE HB3 H 1 2.972 0.020 . 2 . . . . 4 PHE HB3 . 17312 1 15 . 1 1 4 4 PHE HD1 H 1 6.987 0.020 . 3 . . . . 4 PHE HD1 . 17312 1 16 . 1 1 4 4 PHE HD2 H 1 7.049 0.020 . 3 . . . . 4 PHE HD2 . 17312 1 17 . 1 1 4 4 PHE HE1 H 1 7.321 0.020 . 3 . . . . 4 PHE QE . 17312 1 18 . 1 1 4 4 PHE HE2 H 1 7.321 0.020 . 3 . . . . 4 PHE QE . 17312 1 19 . 1 1 4 4 PHE C C 13 176.612 0.300 . 1 . . . . 4 PHE C . 17312 1 20 . 1 1 4 4 PHE CA C 13 61.687 0.300 . 1 . . . . 4 PHE CA . 17312 1 21 . 1 1 4 4 PHE CB C 13 39.941 0.300 . 1 . . . . 4 PHE CB . 17312 1 22 . 1 1 4 4 PHE N N 15 118.876 0.300 . 1 . . . . 4 PHE N . 17312 1 23 . 1 1 5 5 GLU H H 1 7.985 0.020 . 1 . . . . 5 GLU H . 17312 1 24 . 1 1 5 5 GLU HA H 1 3.834 0.020 . 1 . . . . 5 GLU HA . 17312 1 25 . 1 1 5 5 GLU HB2 H 1 2.146 0.020 . 2 . . . . 5 GLU HB2 . 17312 1 26 . 1 1 5 5 GLU HB3 H 1 2.116 0.020 . 2 . . . . 5 GLU HB3 . 17312 1 27 . 1 1 5 5 GLU HG2 H 1 2.435 0.020 . 2 . . . . 5 GLU HG2 . 17312 1 28 . 1 1 5 5 GLU HG3 H 1 2.407 0.020 . 2 . . . . 5 GLU HG3 . 17312 1 29 . 1 1 5 5 GLU C C 13 179.476 0.300 . 1 . . . . 5 GLU C . 17312 1 30 . 1 1 5 5 GLU CA C 13 59.436 0.300 . 1 . . . . 5 GLU CA . 17312 1 31 . 1 1 5 5 GLU CB C 13 29.380 0.300 . 1 . . . . 5 GLU CB . 17312 1 32 . 1 1 5 5 GLU CG C 13 37.085 0.300 . 1 . . . . 5 GLU CG . 17312 1 33 . 1 1 5 5 GLU CD C 13 183.251 0.300 . 1 . . . . 5 GLU CD . 17312 1 34 . 1 1 5 5 GLU N N 15 117.554 0.300 . 1 . . . . 5 GLU N . 17312 1 35 . 1 1 6 6 LYS H H 1 8.270 0.020 . 1 . . . . 6 LYS H . 17312 1 36 . 1 1 6 6 LYS HA H 1 3.965 0.020 . 1 . . . . 6 LYS HA . 17312 1 37 . 1 1 6 6 LYS HB2 H 1 1.834 0.020 . 2 . . . . 6 LYS HB2 . 17312 1 38 . 1 1 6 6 LYS HB3 H 1 1.816 0.020 . 2 . . . . 6 LYS HB3 . 17312 1 39 . 1 1 6 6 LYS HG2 H 1 1.469 0.020 . 2 . . . . 6 LYS HG2 . 17312 1 40 . 1 1 6 6 LYS HG3 H 1 1.336 0.020 . 2 . . . . 6 LYS HG3 . 17312 1 41 . 1 1 6 6 LYS HD2 H 1 1.618 0.020 . 2 . . . . 6 LYS HD2 . 17312 1 42 . 1 1 6 6 LYS HD3 H 1 1.598 0.020 . 2 . . . . 6 LYS HD3 . 17312 1 43 . 1 1 6 6 LYS HE2 H 1 2.885 0.020 . 2 . . . . 6 LYS HE2 . 17312 1 44 . 1 1 6 6 LYS HE3 H 1 2.871 0.020 . 2 . . . . 6 LYS HE3 . 17312 1 45 . 1 1 6 6 LYS HZ1 H 1 7.235 0.020 . 1 . . . . 6 LYS QZ . 17312 1 46 . 1 1 6 6 LYS HZ2 H 1 7.235 0.020 . 1 . . . . 6 LYS QZ . 17312 1 47 . 1 1 6 6 LYS HZ3 H 1 7.235 0.020 . 1 . . . . 6 LYS QZ . 17312 1 48 . 1 1 6 6 LYS C C 13 179.529 0.300 . 1 . . . . 6 LYS C . 17312 1 49 . 1 1 6 6 LYS CA C 13 59.442 0.300 . 1 . . . . 6 LYS CA . 17312 1 50 . 1 1 6 6 LYS CB C 13 32.443 0.300 . 1 . . . . 6 LYS CB . 17312 1 51 . 1 1 6 6 LYS CG C 13 25.232 0.300 . 1 . . . . 6 LYS CG . 17312 1 52 . 1 1 6 6 LYS CD C 13 29.227 0.300 . 1 . . . . 6 LYS CD . 17312 1 53 . 1 1 6 6 LYS CE C 13 41.999 0.300 . 1 . . . . 6 LYS CE . 17312 1 54 . 1 1 6 6 LYS N N 15 120.424 0.300 . 1 . . . . 6 LYS N . 17312 1 55 . 1 1 7 7 GLN H H 1 8.258 0.020 . 1 . . . . 7 GLN H . 17312 1 56 . 1 1 7 7 GLN HA H 1 4.021 0.020 . 1 . . . . 7 GLN HA . 17312 1 57 . 1 1 7 7 GLN HB2 H 1 2.002 0.020 . 2 . . . . 7 GLN HB2 . 17312 1 58 . 1 1 7 7 GLN HB3 H 1 1.831 0.020 . 2 . . . . 7 GLN HB3 . 17312 1 59 . 1 1 7 7 GLN HG2 H 1 2.229 0.020 . 2 . . . . 7 GLN HG2 . 17312 1 60 . 1 1 7 7 GLN HG3 H 1 2.182 0.020 . 2 . . . . 7 GLN HG3 . 17312 1 61 . 1 1 7 7 GLN HE21 H 1 7.046 0.020 . 2 . . . . 7 GLN HE21 . 17312 1 62 . 1 1 7 7 GLN HE22 H 1 6.545 0.020 . 2 . . . . 7 GLN HE22 . 17312 1 63 . 1 1 7 7 GLN C C 13 178.355 0.300 . 1 . . . . 7 GLN C . 17312 1 64 . 1 1 7 7 GLN CA C 13 58.879 0.300 . 1 . . . . 7 GLN CA . 17312 1 65 . 1 1 7 7 GLN CB C 13 28.155 0.300 . 1 . . . . 7 GLN CB . 17312 1 66 . 1 1 7 7 GLN CG C 13 34.128 0.300 . 1 . . . . 7 GLN CG . 17312 1 67 . 1 1 7 7 GLN CD C 13 178.751 0.300 . 1 . . . . 7 GLN CD . 17312 1 68 . 1 1 7 7 GLN N N 15 120.338 0.300 . 1 . . . . 7 GLN N . 17312 1 69 . 1 1 7 7 GLN NE2 N 15 109.426 0.300 . 1 . . . . 7 GLN NE2 . 17312 1 70 . 1 1 8 8 LYS H H 1 8.379 0.020 . 1 . . . . 8 LYS H . 17312 1 71 . 1 1 8 8 LYS HA H 1 3.607 0.020 . 1 . . . . 8 LYS HA . 17312 1 72 . 1 1 8 8 LYS HB2 H 1 1.947 0.020 . 2 . . . . 8 LYS HB2 . 17312 1 73 . 1 1 8 8 LYS HB3 H 1 1.252 0.020 . 2 . . . . 8 LYS HB3 . 17312 1 74 . 1 1 8 8 LYS HG2 H 1 1.455 0.020 . 2 . . . . 8 LYS HG2 . 17312 1 75 . 1 1 8 8 LYS HG3 H 1 1.038 0.020 . 2 . . . . 8 LYS HG3 . 17312 1 76 . 1 1 8 8 LYS HD2 H 1 1.314 0.020 . 2 . . . . 8 LYS HD2 . 17312 1 77 . 1 1 8 8 LYS HD3 H 1 1.293 0.020 . 2 . . . . 8 LYS HD3 . 17312 1 78 . 1 1 8 8 LYS HE2 H 1 3.147 0.020 . 2 . . . . 8 LYS HE2 . 17312 1 79 . 1 1 8 8 LYS HE3 H 1 2.777 0.020 . 2 . . . . 8 LYS HE3 . 17312 1 80 . 1 1 8 8 LYS HZ1 H 1 6.913 0.020 . 1 . . . . 8 LYS QZ . 17312 1 81 . 1 1 8 8 LYS HZ2 H 1 6.913 0.020 . 1 . . . . 8 LYS QZ . 17312 1 82 . 1 1 8 8 LYS HZ3 H 1 6.913 0.020 . 1 . . . . 8 LYS QZ . 17312 1 83 . 1 1 8 8 LYS C C 13 177.270 0.300 . 1 . . . . 8 LYS C . 17312 1 84 . 1 1 8 8 LYS CA C 13 60.775 0.300 . 1 . . . . 8 LYS CA . 17312 1 85 . 1 1 8 8 LYS CB C 13 31.237 0.300 . 1 . . . . 8 LYS CB . 17312 1 86 . 1 1 8 8 LYS CG C 13 23.723 0.300 . 1 . . . . 8 LYS CG . 17312 1 87 . 1 1 8 8 LYS CD C 13 29.071 0.300 . 1 . . . . 8 LYS CD . 17312 1 88 . 1 1 8 8 LYS CE C 13 40.419 0.300 . 1 . . . . 8 LYS CE . 17312 1 89 . 1 1 8 8 LYS N N 15 122.171 0.300 . 1 . . . . 8 LYS N . 17312 1 90 . 1 1 9 9 GLU H H 1 8.207 0.020 . 1 . . . . 9 GLU H . 17312 1 91 . 1 1 9 9 GLU HA H 1 3.977 0.020 . 1 . . . . 9 GLU HA . 17312 1 92 . 1 1 9 9 GLU HB2 H 1 2.091 0.020 . 2 . . . . 9 GLU HB2 . 17312 1 93 . 1 1 9 9 GLU HB3 H 1 2.071 0.020 . 2 . . . . 9 GLU HB3 . 17312 1 94 . 1 1 9 9 GLU HG2 H 1 2.315 0.020 . 2 . . . . 9 GLU HG2 . 17312 1 95 . 1 1 9 9 GLU HG3 H 1 2.253 0.020 . 2 . . . . 9 GLU HG3 . 17312 1 96 . 1 1 9 9 GLU C C 13 179.476 0.300 . 1 . . . . 9 GLU C . 17312 1 97 . 1 1 9 9 GLU CA C 13 59.240 0.300 . 1 . . . . 9 GLU CA . 17312 1 98 . 1 1 9 9 GLU CB C 13 29.230 0.300 . 1 . . . . 9 GLU CB . 17312 1 99 . 1 1 9 9 GLU CG C 13 36.366 0.300 . 1 . . . . 9 GLU CG . 17312 1 100 . 1 1 9 9 GLU CD C 13 183.946 0.300 . 1 . . . . 9 GLU CD . 17312 1 101 . 1 1 9 9 GLU N N 15 118.679 0.300 . 1 . . . . 9 GLU N . 17312 1 102 . 1 1 10 10 GLN H H 1 8.091 0.020 . 1 . . . . 10 GLN H . 17312 1 103 . 1 1 10 10 GLN HA H 1 4.066 0.020 . 1 . . . . 10 GLN HA . 17312 1 104 . 1 1 10 10 GLN HB2 H 1 2.126 0.020 . 2 . . . . 10 GLN HB2 . 17312 1 105 . 1 1 10 10 GLN HB3 H 1 2.093 0.020 . 2 . . . . 10 GLN HB3 . 17312 1 106 . 1 1 10 10 GLN HG2 H 1 2.392 0.020 . 2 . . . . 10 GLN HG2 . 17312 1 107 . 1 1 10 10 GLN HG3 H 1 2.322 0.020 . 2 . . . . 10 GLN HG3 . 17312 1 108 . 1 1 10 10 GLN HE21 H 1 7.513 0.020 . 2 . . . . 10 GLN HE21 . 17312 1 109 . 1 1 10 10 GLN HE22 H 1 6.887 0.020 . 2 . . . . 10 GLN HE22 . 17312 1 110 . 1 1 10 10 GLN C C 13 178.985 0.300 . 1 . . . . 10 GLN C . 17312 1 111 . 1 1 10 10 GLN CA C 13 58.875 0.300 . 1 . . . . 10 GLN CA . 17312 1 112 . 1 1 10 10 GLN CB C 13 27.932 0.300 . 1 . . . . 10 GLN CB . 17312 1 113 . 1 1 10 10 GLN CG C 13 33.591 0.300 . 1 . . . . 10 GLN CG . 17312 1 114 . 1 1 10 10 GLN CD C 13 179.691 0.300 . 1 . . . . 10 GLN CD . 17312 1 115 . 1 1 10 10 GLN N N 15 120.855 0.300 . 1 . . . . 10 GLN N . 17312 1 116 . 1 1 10 10 GLN NE2 N 15 112.276 0.300 . 1 . . . . 10 GLN NE2 . 17312 1 117 . 1 1 11 11 GLY H H 1 8.438 0.020 . 1 . . . . 11 GLY H . 17312 1 118 . 1 1 11 11 GLY HA2 H 1 3.512 0.020 . 2 . . . . 11 GLY HA2 . 17312 1 119 . 1 1 11 11 GLY HA3 H 1 3.296 0.020 . 2 . . . . 11 GLY HA3 . 17312 1 120 . 1 1 11 11 GLY C C 13 174.175 0.300 . 1 . . . . 11 GLY C . 17312 1 121 . 1 1 11 11 GLY CA C 13 47.838 0.300 . 1 . . . . 11 GLY CA . 17312 1 122 . 1 1 11 11 GLY N N 15 107.935 0.300 . 1 . . . . 11 GLY N . 17312 1 123 . 1 1 12 12 ASN H H 1 8.972 0.020 . 1 . . . . 12 ASN H . 17312 1 124 . 1 1 12 12 ASN HA H 1 4.480 0.020 . 1 . . . . 12 ASN HA . 17312 1 125 . 1 1 12 12 ASN HB2 H 1 2.953 0.020 . 2 . . . . 12 ASN HB2 . 17312 1 126 . 1 1 12 12 ASN HB3 H 1 2.682 0.020 . 2 . . . . 12 ASN HB3 . 17312 1 127 . 1 1 12 12 ASN C C 13 177.946 0.300 . 1 . . . . 12 ASN C . 17312 1 128 . 1 1 12 12 ASN CA C 13 55.512 0.300 . 1 . . . . 12 ASN CA . 17312 1 129 . 1 1 12 12 ASN CB C 13 36.480 0.300 . 1 . . . . 12 ASN CB . 17312 1 130 . 1 1 12 12 ASN CG C 13 175.355 0.300 . 1 . . . . 12 ASN CG . 17312 1 131 . 1 1 12 12 ASN N N 15 121.077 0.300 . 1 . . . . 12 ASN N . 17312 1 132 . 1 1 13 13 SER H H 1 8.438 0.020 . 1 . . . . 13 SER H . 17312 1 133 . 1 1 13 13 SER HA H 1 4.210 0.020 . 1 . . . . 13 SER HA . 17312 1 134 . 1 1 13 13 SER HB2 H 1 3.996 0.020 . 2 . . . . 13 SER HB2 . 17312 1 135 . 1 1 13 13 SER HB3 H 1 3.910 0.020 . 2 . . . . 13 SER HB3 . 17312 1 136 . 1 1 13 13 SER C C 13 177.519 0.300 . 1 . . . . 13 SER C . 17312 1 137 . 1 1 13 13 SER CA C 13 61.684 0.300 . 1 . . . . 13 SER CA . 17312 1 138 . 1 1 13 13 SER CB C 13 62.809 0.300 . 1 . . . . 13 SER CB . 17312 1 139 . 1 1 13 13 SER N N 15 118.162 0.300 . 1 . . . . 13 SER N . 17312 1 140 . 1 1 14 14 LEU H H 1 7.859 0.020 . 1 . . . . 14 LEU H . 17312 1 141 . 1 1 14 14 LEU HA H 1 3.950 0.020 . 1 . . . . 14 LEU HA . 17312 1 142 . 1 1 14 14 LEU HB2 H 1 1.860 0.020 . 2 . . . . 14 LEU HB2 . 17312 1 143 . 1 1 14 14 LEU HB3 H 1 1.555 0.020 . 2 . . . . 14 LEU HB3 . 17312 1 144 . 1 1 14 14 LEU HG H 1 1.732 0.020 . 1 . . . . 14 LEU HG . 17312 1 145 . 1 1 14 14 LEU HD11 H 1 0.712 0.020 . 1 . . . . 14 LEU QD1 . 17312 1 146 . 1 1 14 14 LEU HD12 H 1 0.712 0.020 . 1 . . . . 14 LEU QD1 . 17312 1 147 . 1 1 14 14 LEU HD13 H 1 0.712 0.020 . 1 . . . . 14 LEU QD1 . 17312 1 148 . 1 1 14 14 LEU HD21 H 1 0.781 0.020 . 1 . . . . 14 LEU QD2 . 17312 1 149 . 1 1 14 14 LEU HD22 H 1 0.781 0.020 . 1 . . . . 14 LEU QD2 . 17312 1 150 . 1 1 14 14 LEU HD23 H 1 0.781 0.020 . 1 . . . . 14 LEU QD2 . 17312 1 151 . 1 1 14 14 LEU C C 13 178.960 0.300 . 1 . . . . 14 LEU C . 17312 1 152 . 1 1 14 14 LEU CA C 13 58.351 0.300 . 1 . . . . 14 LEU CA . 17312 1 153 . 1 1 14 14 LEU CB C 13 40.581 0.300 . 1 . . . . 14 LEU CB . 17312 1 154 . 1 1 14 14 LEU CG C 13 26.817 0.300 . 1 . . . . 14 LEU CG . 17312 1 155 . 1 1 14 14 LEU CD1 C 13 26.249 0.300 . 2 . . . . 14 LEU CD1 . 17312 1 156 . 1 1 14 14 LEU CD2 C 13 23.165 0.300 . 2 . . . . 14 LEU CD2 . 17312 1 157 . 1 1 14 14 LEU N N 15 123.460 0.300 . 1 . . . . 14 LEU N . 17312 1 158 . 1 1 15 15 PHE H H 1 8.985 0.020 . 1 . . . . 15 PHE H . 17312 1 159 . 1 1 15 15 PHE HA H 1 3.557 0.020 . 1 . . . . 15 PHE HA . 17312 1 160 . 1 1 15 15 PHE HB2 H 1 3.571 0.020 . 2 . . . . 15 PHE HB2 . 17312 1 161 . 1 1 15 15 PHE HB3 H 1 3.237 0.020 . 2 . . . . 15 PHE HB3 . 17312 1 162 . 1 1 15 15 PHE HD1 H 1 6.797 0.020 . 3 . . . . 15 PHE QD . 17312 1 163 . 1 1 15 15 PHE HD2 H 1 6.797 0.020 . 3 . . . . 15 PHE QD . 17312 1 164 . 1 1 15 15 PHE HE1 H 1 6.943 0.020 . 3 . . . . 15 PHE QE . 17312 1 165 . 1 1 15 15 PHE HE2 H 1 6.943 0.020 . 3 . . . . 15 PHE QE . 17312 1 166 . 1 1 15 15 PHE HZ H 1 7.157 0.020 . 1 . . . . 15 PHE HZ . 17312 1 167 . 1 1 15 15 PHE C C 13 179.476 0.300 . 1 . . . . 15 PHE C . 17312 1 168 . 1 1 15 15 PHE CA C 13 62.487 0.300 . 1 . . . . 15 PHE CA . 17312 1 169 . 1 1 15 15 PHE CB C 13 40.120 0.300 . 1 . . . . 15 PHE CB . 17312 1 170 . 1 1 15 15 PHE CG C 13 138.701 0.300 . 1 . . . . 15 PHE CG . 17312 1 171 . 1 1 15 15 PHE CD1 C 13 131.920 0.300 . 3 . . . . 15 PHE CD1 . 17312 1 172 . 1 1 15 15 PHE CD2 C 13 131.920 0.300 . 3 . . . . 15 PHE CD2 . 17312 1 173 . 1 1 15 15 PHE CE1 C 13 129.585 0.300 . 3 . . . . 15 PHE CE1 . 17312 1 174 . 1 1 15 15 PHE CZ C 13 128.088 0.300 . 1 . . . . 15 PHE CZ . 17312 1 175 . 1 1 15 15 PHE N N 15 121.843 0.300 . 1 . . . . 15 PHE N . 17312 1 176 . 1 1 16 16 LYS H H 1 8.502 0.020 . 1 . . . . 16 LYS H . 17312 1 177 . 1 1 16 16 LYS HA H 1 3.999 0.020 . 1 . . . . 16 LYS HA . 17312 1 178 . 1 1 16 16 LYS HB2 H 1 2.068 0.020 . 2 . . . . 16 LYS HB2 . 17312 1 179 . 1 1 16 16 LYS HB3 H 1 2.035 0.020 . 2 . . . . 16 LYS HB3 . 17312 1 180 . 1 1 16 16 LYS HG2 H 1 1.762 0.020 . 2 . . . . 16 LYS HG2 . 17312 1 181 . 1 1 16 16 LYS HG3 H 1 1.640 0.020 . 2 . . . . 16 LYS HG3 . 17312 1 182 . 1 1 16 16 LYS HD2 H 1 1.745 0.020 . 2 . . . . 16 LYS HD2 . 17312 1 183 . 1 1 16 16 LYS HD3 H 1 1.680 0.020 . 2 . . . . 16 LYS HD3 . 17312 1 184 . 1 1 16 16 LYS HE2 H 1 2.957 0.020 . 2 . . . . 16 LYS HE2 . 17312 1 185 . 1 1 16 16 LYS HE3 H 1 2.881 0.020 . 2 . . . . 16 LYS HE3 . 17312 1 186 . 1 1 16 16 LYS HZ1 H 1 7.159 0.020 . 1 . . . . 16 LYS QZ . 17312 1 187 . 1 1 16 16 LYS HZ2 H 1 7.159 0.020 . 1 . . . . 16 LYS QZ . 17312 1 188 . 1 1 16 16 LYS HZ3 H 1 7.159 0.020 . 1 . . . . 16 LYS QZ . 17312 1 189 . 1 1 16 16 LYS C C 13 177.626 0.300 . 1 . . . . 16 LYS C . 17312 1 190 . 1 1 16 16 LYS CA C 13 59.436 0.300 . 1 . . . . 16 LYS CA . 17312 1 191 . 1 1 16 16 LYS CB C 13 32.441 0.300 . 1 . . . . 16 LYS CB . 17312 1 192 . 1 1 16 16 LYS CG C 13 26.252 0.300 . 1 . . . . 16 LYS CG . 17312 1 193 . 1 1 16 16 LYS CD C 13 29.326 0.300 . 1 . . . . 16 LYS CD . 17312 1 194 . 1 1 16 16 LYS CE C 13 42.006 0.300 . 1 . . . . 16 LYS CE . 17312 1 195 . 1 1 16 16 LYS N N 15 121.295 0.300 . 1 . . . . 16 LYS N . 17312 1 196 . 1 1 17 17 GLN H H 1 7.364 0.020 . 1 . . . . 17 GLN H . 17312 1 197 . 1 1 17 17 GLN HA H 1 4.199 0.020 . 1 . . . . 17 GLN HA . 17312 1 198 . 1 1 17 17 GLN HB2 H 1 1.962 0.020 . 2 . . . . 17 GLN HB2 . 17312 1 199 . 1 1 17 17 GLN HB3 H 1 1.932 0.020 . 2 . . . . 17 GLN HB3 . 17312 1 200 . 1 1 17 17 GLN HG2 H 1 2.181 0.020 . 2 . . . . 17 GLN HG2 . 17312 1 201 . 1 1 17 17 GLN HG3 H 1 2.127 0.020 . 2 . . . . 17 GLN HG3 . 17312 1 202 . 1 1 17 17 GLN HE21 H 1 6.935 0.020 . 2 . . . . 17 GLN HE21 . 17312 1 203 . 1 1 17 17 GLN HE22 H 1 6.729 0.020 . 2 . . . . 17 GLN HE22 . 17312 1 204 . 1 1 17 17 GLN C C 13 175.689 0.300 . 1 . . . . 17 GLN C . 17312 1 205 . 1 1 17 17 GLN CA C 13 56.063 0.300 . 1 . . . . 17 GLN CA . 17312 1 206 . 1 1 17 17 GLN CB C 13 30.513 0.300 . 1 . . . . 17 GLN CB . 17312 1 207 . 1 1 17 17 GLN CG C 13 36.381 0.300 . 1 . . . . 17 GLN CG . 17312 1 208 . 1 1 17 17 GLN N N 15 115.857 0.300 . 1 . . . . 17 GLN N . 17312 1 209 . 1 1 17 17 GLN NE2 N 15 110.857 0.300 . 1 . . . . 17 GLN NE2 . 17312 1 210 . 1 1 18 18 GLY H H 1 7.582 0.020 . 1 . . . . 18 GLY H . 17312 1 211 . 1 1 18 18 GLY HA2 H 1 3.715 0.020 . 2 . . . . 18 GLY HA2 . 17312 1 212 . 1 1 18 18 GLY HA3 H 1 2.588 0.020 . 2 . . . . 18 GLY HA3 . 17312 1 213 . 1 1 18 18 GLY C C 13 173.516 0.300 . 1 . . . . 18 GLY C . 17312 1 214 . 1 1 18 18 GLY CA C 13 44.249 0.300 . 1 . . . . 18 GLY CA . 17312 1 215 . 1 1 18 18 GLY N N 15 107.534 0.300 . 1 . . . . 18 GLY N . 17312 1 216 . 1 1 19 19 LEU H H 1 7.573 0.020 . 1 . . . . 19 LEU H . 17312 1 217 . 1 1 19 19 LEU HA H 1 4.301 0.020 . 1 . . . . 19 LEU HA . 17312 1 218 . 1 1 19 19 LEU HB2 H 1 1.475 0.020 . 2 . . . . 19 LEU HB2 . 17312 1 219 . 1 1 19 19 LEU HB3 H 1 1.431 0.020 . 2 . . . . 19 LEU HB3 . 17312 1 220 . 1 1 19 19 LEU HG H 1 1.196 0.020 . 1 . . . . 19 LEU HG . 17312 1 221 . 1 1 19 19 LEU HD11 H 1 0.704 0.020 . 1 . . . . 19 LEU QD1 . 17312 1 222 . 1 1 19 19 LEU HD12 H 1 0.704 0.020 . 1 . . . . 19 LEU QD1 . 17312 1 223 . 1 1 19 19 LEU HD13 H 1 0.704 0.020 . 1 . . . . 19 LEU QD1 . 17312 1 224 . 1 1 19 19 LEU HD21 H 1 0.644 0.020 . 1 . . . . 19 LEU QD2 . 17312 1 225 . 1 1 19 19 LEU HD22 H 1 0.644 0.020 . 1 . . . . 19 LEU QD2 . 17312 1 226 . 1 1 19 19 LEU HD23 H 1 0.644 0.020 . 1 . . . . 19 LEU QD2 . 17312 1 227 . 1 1 19 19 LEU C C 13 176.754 0.300 . 1 . . . . 19 LEU C . 17312 1 228 . 1 1 19 19 LEU CA C 13 52.527 0.300 . 1 . . . . 19 LEU CA . 17312 1 229 . 1 1 19 19 LEU CB C 13 38.627 0.300 . 1 . . . . 19 LEU CB . 17312 1 230 . 1 1 19 19 LEU CG C 13 26.810 0.300 . 1 . . . . 19 LEU CG . 17312 1 231 . 1 1 19 19 LEU CD1 C 13 25.688 0.300 . 2 . . . . 19 LEU CD1 . 17312 1 232 . 1 1 19 19 LEU CD2 C 13 23.093 0.300 . 2 . . . . 19 LEU CD2 . 17312 1 233 . 1 1 19 19 LEU N N 15 124.601 0.300 . 1 . . . . 19 LEU N . 17312 1 234 . 1 1 20 20 TYR H H 1 6.591 0.020 . 1 . . . . 20 TYR H . 17312 1 235 . 1 1 20 20 TYR HA H 1 3.983 0.020 . 1 . . . . 20 TYR HA . 17312 1 236 . 1 1 20 20 TYR HB2 H 1 3.138 0.020 . 2 . . . . 20 TYR HB2 . 17312 1 237 . 1 1 20 20 TYR HB3 H 1 2.604 0.020 . 2 . . . . 20 TYR HB3 . 17312 1 238 . 1 1 20 20 TYR HD1 H 1 7.158 0.020 . 3 . . . . 20 TYR QD . 17312 1 239 . 1 1 20 20 TYR HD2 H 1 7.158 0.020 . 3 . . . . 20 TYR QD . 17312 1 240 . 1 1 20 20 TYR HE1 H 1 6.171 0.020 . 3 . . . . 20 TYR HE1 . 17312 1 241 . 1 1 20 20 TYR HE2 H 1 6.126 0.020 . 3 . . . . 20 TYR HE2 . 17312 1 242 . 1 1 20 20 TYR C C 13 177.857 0.300 . 1 . . . . 20 TYR C . 17312 1 243 . 1 1 20 20 TYR CA C 13 62.000 0.300 . 1 . . . . 20 TYR CA . 17312 1 244 . 1 1 20 20 TYR CB C 13 38.248 0.300 . 1 . . . . 20 TYR CB . 17312 1 245 . 1 1 20 20 TYR CG C 13 129.754 0.300 . 1 . . . . 20 TYR CG . 17312 1 246 . 1 1 20 20 TYR CD1 C 13 131.704 0.300 . 3 . . . . 20 TYR CD1 . 17312 1 247 . 1 1 20 20 TYR CD2 C 13 131.543 0.300 . 3 . . . . 20 TYR CD2 . 17312 1 248 . 1 1 20 20 TYR CE1 C 13 119.571 0.300 . 3 . . . . 20 TYR CE1 . 17312 1 249 . 1 1 20 20 TYR CE2 C 13 119.483 0.300 . 3 . . . . 20 TYR CE2 . 17312 1 250 . 1 1 20 20 TYR CZ C 13 157.187 0.300 . 1 . . . . 20 TYR CZ . 17312 1 251 . 1 1 20 20 TYR N N 15 118.072 0.300 . 1 . . . . 20 TYR N . 17312 1 252 . 1 1 21 21 ARG H H 1 8.985 0.020 . 1 . . . . 21 ARG H . 17312 1 253 . 1 1 21 21 ARG HA H 1 3.782 0.020 . 1 . . . . 21 ARG HA . 17312 1 254 . 1 1 21 21 ARG HB2 H 1 1.840 0.020 . 2 . . . . 21 ARG HB2 . 17312 1 255 . 1 1 21 21 ARG HB3 H 1 1.714 0.020 . 2 . . . . 21 ARG HB3 . 17312 1 256 . 1 1 21 21 ARG HG2 H 1 1.665 0.020 . 2 . . . . 21 ARG HG2 . 17312 1 257 . 1 1 21 21 ARG HG3 H 1 1.640 0.020 . 2 . . . . 21 ARG HG3 . 17312 1 258 . 1 1 21 21 ARG HD2 H 1 3.133 0.020 . 2 . . . . 21 ARG HD2 . 17312 1 259 . 1 1 21 21 ARG HD3 H 1 3.096 0.020 . 2 . . . . 21 ARG HD3 . 17312 1 260 . 1 1 21 21 ARG HE H 1 7.160 0.020 . 1 . . . . 21 ARG HE . 17312 1 261 . 1 1 21 21 ARG HH11 H 1 6.779 0.020 . 1 . . . . 21 ARG HH11 . 17312 1 262 . 1 1 21 21 ARG HH12 H 1 6.779 0.020 . 1 . . . . 21 ARG HH12 . 17312 1 263 . 1 1 21 21 ARG HH21 H 1 6.833 0.020 . 1 . . . . 21 ARG HH21 . 17312 1 264 . 1 1 21 21 ARG HH22 H 1 6.833 0.020 . 1 . . . . 21 ARG HH22 . 17312 1 265 . 1 1 21 21 ARG C C 13 178.746 0.300 . 1 . . . . 21 ARG C . 17312 1 266 . 1 1 21 21 ARG CA C 13 59.021 0.300 . 1 . . . . 21 ARG CA . 17312 1 267 . 1 1 21 21 ARG CB C 13 28.823 0.300 . 1 . . . . 21 ARG CB . 17312 1 268 . 1 1 21 21 ARG CG C 13 26.819 0.300 . 1 . . . . 21 ARG CG . 17312 1 269 . 1 1 21 21 ARG CD C 13 42.311 0.300 . 1 . . . . 21 ARG CD . 17312 1 270 . 1 1 21 21 ARG N N 15 120.158 0.300 . 1 . . . . 21 ARG N . 17312 1 271 . 1 1 22 22 GLU H H 1 9.348 0.020 . 1 . . . . 22 GLU H . 17312 1 272 . 1 1 22 22 GLU HA H 1 3.876 0.020 . 1 . . . . 22 GLU HA . 17312 1 273 . 1 1 22 22 GLU HB2 H 1 2.017 0.024 . 2 . . . . 22 GLU HB2 . 17312 1 274 . 1 1 22 22 GLU HB3 H 1 1.959 0.020 . 2 . . . . 22 GLU HB3 . 17312 1 275 . 1 1 22 22 GLU HG2 H 1 2.423 0.020 . 2 . . . . 22 GLU HG2 . 17312 1 276 . 1 1 22 22 GLU HG3 H 1 2.161 0.020 . 2 . . . . 22 GLU HG3 . 17312 1 277 . 1 1 22 22 GLU C C 13 179.814 0.300 . 1 . . . . 22 GLU C . 17312 1 278 . 1 1 22 22 GLU CA C 13 60.310 0.300 . 1 . . . . 22 GLU CA . 17312 1 279 . 1 1 22 22 GLU CB C 13 28.482 0.300 . 1 . . . . 22 GLU CB . 17312 1 280 . 1 1 22 22 GLU CG C 13 37.287 0.300 . 1 . . . . 22 GLU CG . 17312 1 281 . 1 1 22 22 GLU CD C 13 183.078 0.300 . 1 . . . . 22 GLU CD . 17312 1 282 . 1 1 22 22 GLU N N 15 121.734 0.300 . 1 . . . . 22 GLU N . 17312 1 283 . 1 1 23 23 ALA H H 1 8.264 0.020 . 1 . . . . 23 ALA H . 17312 1 284 . 1 1 23 23 ALA HA H 1 3.655 0.020 . 1 . . . . 23 ALA HA . 17312 1 285 . 1 1 23 23 ALA HB1 H 1 1.459 0.020 . 1 . . . . 23 ALA QB . 17312 1 286 . 1 1 23 23 ALA HB2 H 1 1.459 0.020 . 1 . . . . 23 ALA QB . 17312 1 287 . 1 1 23 23 ALA HB3 H 1 1.459 0.020 . 1 . . . . 23 ALA QB . 17312 1 288 . 1 1 23 23 ALA C C 13 178.444 0.300 . 1 . . . . 23 ALA C . 17312 1 289 . 1 1 23 23 ALA CA C 13 55.879 0.300 . 1 . . . . 23 ALA CA . 17312 1 290 . 1 1 23 23 ALA CB C 13 17.390 0.300 . 1 . . . . 23 ALA CB . 17312 1 291 . 1 1 23 23 ALA N N 15 123.058 0.300 . 1 . . . . 23 ALA N . 17312 1 292 . 1 1 24 24 VAL H H 1 8.234 0.020 . 1 . . . . 24 VAL H . 17312 1 293 . 1 1 24 24 VAL HA H 1 3.262 0.020 . 1 . . . . 24 VAL HA . 17312 1 294 . 1 1 24 24 VAL HB H 1 2.324 0.020 . 1 . . . . 24 VAL HB . 17312 1 295 . 1 1 24 24 VAL HG11 H 1 1.130 0.020 . 1 . . . . 24 VAL QG1 . 17312 1 296 . 1 1 24 24 VAL HG12 H 1 1.130 0.020 . 1 . . . . 24 VAL QG1 . 17312 1 297 . 1 1 24 24 VAL HG13 H 1 1.130 0.020 . 1 . . . . 24 VAL QG1 . 17312 1 298 . 1 1 24 24 VAL HG21 H 1 0.880 0.020 . 1 . . . . 24 VAL QG2 . 17312 1 299 . 1 1 24 24 VAL HG22 H 1 0.880 0.020 . 1 . . . . 24 VAL QG2 . 17312 1 300 . 1 1 24 24 VAL HG23 H 1 0.880 0.020 . 1 . . . . 24 VAL QG2 . 17312 1 301 . 1 1 24 24 VAL C C 13 176.345 0.300 . 1 . . . . 24 VAL C . 17312 1 302 . 1 1 24 24 VAL CA C 13 68.490 0.300 . 1 . . . . 24 VAL CA . 17312 1 303 . 1 1 24 24 VAL CB C 13 30.985 0.300 . 1 . . . . 24 VAL CB . 17312 1 304 . 1 1 24 24 VAL CG1 C 13 25.273 0.300 . 2 . . . . 24 VAL CG1 . 17312 1 305 . 1 1 24 24 VAL CG2 C 13 22.313 0.300 . 2 . . . . 24 VAL CG2 . 17312 1 306 . 1 1 24 24 VAL N N 15 117.507 0.300 . 1 . . . . 24 VAL N . 17312 1 307 . 1 1 25 25 HIS H H 1 7.294 0.020 . 1 . . . . 25 HIS H . 17312 1 308 . 1 1 25 25 HIS HA H 1 4.399 0.020 . 1 . . . . 25 HIS HA . 17312 1 309 . 1 1 25 25 HIS HB2 H 1 3.198 0.020 . 2 . . . . 25 HIS HB2 . 17312 1 310 . 1 1 25 25 HIS HB3 H 1 3.119 0.020 . 2 . . . . 25 HIS HB3 . 17312 1 311 . 1 1 25 25 HIS HD1 H 1 9.053 0.020 . 1 . . . . 25 HIS HD1 . 17312 1 312 . 1 1 25 25 HIS HD2 H 1 6.911 0.020 . 1 . . . . 25 HIS HD2 . 17312 1 313 . 1 1 25 25 HIS HE1 H 1 7.650 0.020 . 1 . . . . 25 HIS HE1 . 17312 1 314 . 1 1 25 25 HIS C C 13 178.924 0.300 . 1 . . . . 25 HIS C . 17312 1 315 . 1 1 25 25 HIS CA C 13 59.774 0.300 . 1 . . . . 25 HIS CA . 17312 1 316 . 1 1 25 25 HIS CB C 13 29.991 0.300 . 1 . . . . 25 HIS CB . 17312 1 317 . 1 1 25 25 HIS CG C 13 134.162 0.300 . 1 . . . . 25 HIS CG . 17312 1 318 . 1 1 25 25 HIS CD2 C 13 120.329 0.300 . 1 . . . . 25 HIS CD2 . 17312 1 319 . 1 1 25 25 HIS CE1 C 13 138.440 0.300 . 1 . . . . 25 HIS CE1 . 17312 1 320 . 1 1 25 25 HIS N N 15 116.904 0.300 . 1 . . . . 25 HIS N . 17312 1 321 . 1 1 26 26 CYS H H 1 7.161 0.020 . 1 . . . . 26 CYS H . 17312 1 322 . 1 1 26 26 CYS HA H 1 4.026 0.020 . 1 . . . . 26 CYS HA . 17312 1 323 . 1 1 26 26 CYS HB2 H 1 2.667 0.020 . 2 . . . . 26 CYS HB2 . 17312 1 324 . 1 1 26 26 CYS HB3 H 1 2.634 0.020 . 2 . . . . 26 CYS HB3 . 17312 1 325 . 1 1 26 26 CYS C C 13 177.643 0.300 . 1 . . . . 26 CYS C . 17312 1 326 . 1 1 26 26 CYS CA C 13 62.867 0.300 . 1 . . . . 26 CYS CA . 17312 1 327 . 1 1 26 26 CYS CB C 13 26.687 0.300 . 1 . . . . 26 CYS CB . 17312 1 328 . 1 1 26 26 CYS N N 15 117.282 0.300 . 1 . . . . 26 CYS N . 17312 1 329 . 1 1 27 27 TYR H H 1 8.498 0.020 . 1 . . . . 27 TYR H . 17312 1 330 . 1 1 27 27 TYR HA H 1 4.442 0.020 . 1 . . . . 27 TYR HA . 17312 1 331 . 1 1 27 27 TYR HB2 H 1 3.274 0.027 . 2 . . . . 27 TYR HB2 . 17312 1 332 . 1 1 27 27 TYR HB3 H 1 2.790 0.020 . 2 . . . . 27 TYR HB3 . 17312 1 333 . 1 1 27 27 TYR HD1 H 1 6.826 0.020 . 3 . . . . 27 TYR QD . 17312 1 334 . 1 1 27 27 TYR HD2 H 1 6.826 0.020 . 3 . . . . 27 TYR QD . 17312 1 335 . 1 1 27 27 TYR HE1 H 1 6.773 0.020 . 3 . . . . 27 TYR QE . 17312 1 336 . 1 1 27 27 TYR HE2 H 1 6.773 0.020 . 3 . . . . 27 TYR QE . 17312 1 337 . 1 1 27 27 TYR C C 13 178.266 0.300 . 1 . . . . 27 TYR C . 17312 1 338 . 1 1 27 27 TYR CA C 13 58.078 0.300 . 1 . . . . 27 TYR CA . 17312 1 339 . 1 1 27 27 TYR CB C 13 36.156 0.300 . 1 . . . . 27 TYR CB . 17312 1 340 . 1 1 27 27 TYR CG C 13 129.131 0.300 . 1 . . . . 27 TYR CG . 17312 1 341 . 1 1 27 27 TYR CD1 C 13 131.936 0.300 . 3 . . . . 27 TYR CD1 . 17312 1 342 . 1 1 27 27 TYR CD2 C 13 131.847 0.300 . 3 . . . . 27 TYR CD2 . 17312 1 343 . 1 1 27 27 TYR CE1 C 13 118.959 0.300 . 3 . . . . 27 TYR CE1 . 17312 1 344 . 1 1 27 27 TYR CE2 C 13 118.882 0.300 . 3 . . . . 27 TYR CE2 . 17312 1 345 . 1 1 27 27 TYR N N 15 120.415 0.300 . 1 . . . . 27 TYR N . 17312 1 346 . 1 1 28 28 ASP H H 1 9.234 0.020 . 1 . . . . 28 ASP H . 17312 1 347 . 1 1 28 28 ASP HA H 1 4.477 0.020 . 1 . . . . 28 ASP HA . 17312 1 348 . 1 1 28 28 ASP HB2 H 1 2.760 0.020 . 2 . . . . 28 ASP HB2 . 17312 1 349 . 1 1 28 28 ASP HB3 H 1 2.427 0.020 . 2 . . . . 28 ASP HB3 . 17312 1 350 . 1 1 28 28 ASP C C 13 179.600 0.300 . 1 . . . . 28 ASP C . 17312 1 351 . 1 1 28 28 ASP CA C 13 57.763 0.300 . 1 . . . . 28 ASP CA . 17312 1 352 . 1 1 28 28 ASP CB C 13 40.306 0.300 . 1 . . . . 28 ASP CB . 17312 1 353 . 1 1 28 28 ASP CG C 13 178.529 0.300 . 1 . . . . 28 ASP CG . 17312 1 354 . 1 1 28 28 ASP N N 15 121.296 0.300 . 1 . . . . 28 ASP N . 17312 1 355 . 1 1 29 29 GLN H H 1 7.270 0.020 . 1 . . . . 29 GLN H . 17312 1 356 . 1 1 29 29 GLN HA H 1 4.021 0.020 . 1 . . . . 29 GLN HA . 17312 1 357 . 1 1 29 29 GLN HB2 H 1 2.193 0.020 . 2 . . . . 29 GLN HB2 . 17312 1 358 . 1 1 29 29 GLN HB3 H 1 2.027 0.020 . 2 . . . . 29 GLN HB3 . 17312 1 359 . 1 1 29 29 GLN HG2 H 1 2.343 0.020 . 2 . . . . 29 GLN HG2 . 17312 1 360 . 1 1 29 29 GLN HG3 H 1 2.325 0.020 . 2 . . . . 29 GLN HG3 . 17312 1 361 . 1 1 29 29 GLN HE21 H 1 6.912 0.020 . 2 . . . . 29 GLN HE21 . 17312 1 362 . 1 1 29 29 GLN HE22 H 1 6.759 0.020 . 2 . . . . 29 GLN HE22 . 17312 1 363 . 1 1 29 29 GLN C C 13 179.529 0.300 . 1 . . . . 29 GLN C . 17312 1 364 . 1 1 29 29 GLN CA C 13 58.311 0.300 . 1 . . . . 29 GLN CA . 17312 1 365 . 1 1 29 29 GLN CB C 13 27.942 0.300 . 1 . . . . 29 GLN CB . 17312 1 366 . 1 1 29 29 GLN CG C 13 34.124 0.300 . 1 . . . . 29 GLN CG . 17312 1 367 . 1 1 29 29 GLN CD C 13 179.778 0.300 . 1 . . . . 29 GLN CD . 17312 1 368 . 1 1 29 29 GLN N N 15 117.675 0.300 . 1 . . . . 29 GLN N . 17312 1 369 . 1 1 29 29 GLN NE2 N 15 112.832 0.300 . 1 . . . . 29 GLN NE2 . 17312 1 370 . 1 1 30 30 LEU H H 1 7.469 0.020 . 1 . . . . 30 LEU H . 17312 1 371 . 1 1 30 30 LEU HA H 1 3.974 0.020 . 1 . . . . 30 LEU HA . 17312 1 372 . 1 1 30 30 LEU HB2 H 1 2.134 0.020 . 2 . . . . 30 LEU HB2 . 17312 1 373 . 1 1 30 30 LEU HB3 H 1 1.398 0.020 . 2 . . . . 30 LEU HB3 . 17312 1 374 . 1 1 30 30 LEU HG H 1 1.813 0.020 . 1 . . . . 30 LEU HG . 17312 1 375 . 1 1 30 30 LEU HD11 H 1 0.587 0.020 . 1 . . . . 30 LEU QD1 . 17312 1 376 . 1 1 30 30 LEU HD12 H 1 0.587 0.020 . 1 . . . . 30 LEU QD1 . 17312 1 377 . 1 1 30 30 LEU HD13 H 1 0.587 0.020 . 1 . . . . 30 LEU QD1 . 17312 1 378 . 1 1 30 30 LEU HD21 H 1 -0.110 0.020 . 1 . . . . 30 LEU QD2 . 17312 1 379 . 1 1 30 30 LEU HD22 H 1 -0.110 0.020 . 1 . . . . 30 LEU QD2 . 17312 1 380 . 1 1 30 30 LEU HD23 H 1 -0.110 0.020 . 1 . . . . 30 LEU QD2 . 17312 1 381 . 1 1 30 30 LEU C C 13 178.995 0.300 . 1 . . . . 30 LEU C . 17312 1 382 . 1 1 30 30 LEU CA C 13 57.380 0.300 . 1 . . . . 30 LEU CA . 17312 1 383 . 1 1 30 30 LEU CB C 13 39.513 0.300 . 1 . . . . 30 LEU CB . 17312 1 384 . 1 1 30 30 LEU CG C 13 26.324 0.300 . 1 . . . . 30 LEU CG . 17312 1 385 . 1 1 30 30 LEU CD1 C 13 25.957 0.300 . 2 . . . . 30 LEU CD1 . 17312 1 386 . 1 1 30 30 LEU CD2 C 13 21.190 0.300 . 2 . . . . 30 LEU CD2 . 17312 1 387 . 1 1 30 30 LEU N N 15 119.697 0.300 . 1 . . . . 30 LEU N . 17312 1 388 . 1 1 31 31 ILE H H 1 7.446 0.020 . 1 . . . . 31 ILE H . 17312 1 389 . 1 1 31 31 ILE HA H 1 3.267 0.020 . 1 . . . . 31 ILE HA . 17312 1 390 . 1 1 31 31 ILE HB H 1 1.560 0.020 . 1 . . . . 31 ILE HB . 17312 1 391 . 1 1 31 31 ILE HG12 H 1 1.163 0.020 . 2 . . . . 31 ILE HG12 . 17312 1 392 . 1 1 31 31 ILE HG13 H 1 -0.406 0.020 . 2 . . . . 31 ILE HG13 . 17312 1 393 . 1 1 31 31 ILE HG21 H 1 0.610 0.020 . 1 . . . . 31 ILE QG2 . 17312 1 394 . 1 1 31 31 ILE HG22 H 1 0.610 0.020 . 1 . . . . 31 ILE QG2 . 17312 1 395 . 1 1 31 31 ILE HG23 H 1 0.610 0.020 . 1 . . . . 31 ILE QG2 . 17312 1 396 . 1 1 31 31 ILE HD11 H 1 0.426 0.020 . 1 . . . . 31 ILE QD1 . 17312 1 397 . 1 1 31 31 ILE HD12 H 1 0.426 0.020 . 1 . . . . 31 ILE QD1 . 17312 1 398 . 1 1 31 31 ILE HD13 H 1 0.426 0.020 . 1 . . . . 31 ILE QD1 . 17312 1 399 . 1 1 31 31 ILE C C 13 176.950 0.300 . 1 . . . . 31 ILE C . 17312 1 400 . 1 1 31 31 ILE CA C 13 64.788 0.300 . 1 . . . . 31 ILE CA . 17312 1 401 . 1 1 31 31 ILE CB C 13 38.920 0.300 . 1 . . . . 31 ILE CB . 17312 1 402 . 1 1 31 31 ILE CG1 C 13 29.152 0.300 . 1 . . . . 31 ILE CG1 . 17312 1 403 . 1 1 31 31 ILE CG2 C 13 16.889 0.300 . 1 . . . . 31 ILE CG2 . 17312 1 404 . 1 1 31 31 ILE CD1 C 13 15.711 0.300 . 1 . . . . 31 ILE CD1 . 17312 1 405 . 1 1 31 31 ILE N N 15 121.516 0.300 . 1 . . . . 31 ILE N . 17312 1 406 . 1 1 32 32 THR H H 1 7.676 0.020 . 1 . . . . 32 THR H . 17312 1 407 . 1 1 32 32 THR HA H 1 3.782 0.020 . 1 . . . . 32 THR HA . 17312 1 408 . 1 1 32 32 THR HB H 1 4.017 0.020 . 1 . . . . 32 THR HB . 17312 1 409 . 1 1 32 32 THR HG21 H 1 1.155 0.020 . 1 . . . . 32 THR QG2 . 17312 1 410 . 1 1 32 32 THR HG22 H 1 1.155 0.020 . 1 . . . . 32 THR QG2 . 17312 1 411 . 1 1 32 32 THR HG23 H 1 1.155 0.020 . 1 . . . . 32 THR QG2 . 17312 1 412 . 1 1 32 32 THR C C 13 176.238 0.300 . 1 . . . . 32 THR C . 17312 1 413 . 1 1 32 32 THR CA C 13 65.698 0.300 . 1 . . . . 32 THR CA . 17312 1 414 . 1 1 32 32 THR CB C 13 68.850 0.300 . 1 . . . . 32 THR CB . 17312 1 415 . 1 1 32 32 THR CG2 C 13 21.856 0.300 . 1 . . . . 32 THR CG2 . 17312 1 416 . 1 1 32 32 THR N N 15 112.282 0.300 . 1 . . . . 32 THR N . 17312 1 417 . 1 1 33 33 ALA H H 1 7.646 0.020 . 1 . . . . 33 ALA H . 17312 1 418 . 1 1 33 33 ALA HA H 1 4.178 0.020 . 1 . . . . 33 ALA HA . 17312 1 419 . 1 1 33 33 ALA HB1 H 1 1.694 0.020 . 1 . . . . 33 ALA QB . 17312 1 420 . 1 1 33 33 ALA HB2 H 1 1.694 0.020 . 1 . . . . 33 ALA QB . 17312 1 421 . 1 1 33 33 ALA HB3 H 1 1.694 0.020 . 1 . . . . 33 ALA QB . 17312 1 422 . 1 1 33 33 ALA C C 13 178.871 0.300 . 1 . . . . 33 ALA C . 17312 1 423 . 1 1 33 33 ALA CA C 13 54.883 0.300 . 1 . . . . 33 ALA CA . 17312 1 424 . 1 1 33 33 ALA CB C 13 20.057 0.300 . 1 . . . . 33 ALA CB . 17312 1 425 . 1 1 33 33 ALA N N 15 121.426 0.300 . 1 . . . . 33 ALA N . 17312 1 426 . 1 1 34 34 GLN H H 1 8.048 0.020 . 1 . . . . 34 GLN H . 17312 1 427 . 1 1 34 34 GLN HA H 1 4.744 0.020 . 1 . . . . 34 GLN HA . 17312 1 428 . 1 1 34 34 GLN HB2 H 1 2.054 0.020 . 2 . . . . 34 GLN HB2 . 17312 1 429 . 1 1 34 34 GLN HB3 H 1 1.865 0.046 . 2 . . . . 34 GLN HB3 . 17312 1 430 . 1 1 34 34 GLN HG2 H 1 2.283 0.020 . 2 . . . . 34 GLN HG2 . 17312 1 431 . 1 1 34 34 GLN HG3 H 1 1.990 0.020 . 2 . . . . 34 GLN HG3 . 17312 1 432 . 1 1 34 34 GLN HE21 H 1 7.061 0.020 . 2 . . . . 34 GLN HE21 . 17312 1 433 . 1 1 34 34 GLN HE22 H 1 6.153 0.020 . 2 . . . . 34 GLN HE22 . 17312 1 434 . 1 1 34 34 GLN CA C 13 53.486 0.300 . 1 . . . . 34 GLN CA . 17312 1 435 . 1 1 34 34 GLN CB C 13 27.066 0.300 . 1 . . . . 34 GLN CB . 17312 1 436 . 1 1 34 34 GLN CG C 13 34.123 0.300 . 1 . . . . 34 GLN CG . 17312 1 437 . 1 1 34 34 GLN CD C 13 179.768 0.300 . 1 . . . . 34 GLN CD . 17312 1 438 . 1 1 34 34 GLN N N 15 114.926 0.300 . 1 . . . . 34 GLN N . 17312 1 439 . 1 1 34 34 GLN NE2 N 15 110.995 0.300 . 1 . . . . 34 GLN NE2 . 17312 1 440 . 1 1 35 35 PRO HA H 1 4.723 0.020 . 1 . . . . 35 PRO HA . 17312 1 441 . 1 1 35 35 PRO HB2 H 1 2.417 0.020 . 2 . . . . 35 PRO HB2 . 17312 1 442 . 1 1 35 35 PRO HB3 H 1 1.874 0.020 . 2 . . . . 35 PRO HB3 . 17312 1 443 . 1 1 35 35 PRO HG2 H 1 2.051 0.020 . 2 . . . . 35 PRO HG2 . 17312 1 444 . 1 1 35 35 PRO HG3 H 1 1.815 0.020 . 2 . . . . 35 PRO HG3 . 17312 1 445 . 1 1 35 35 PRO HD2 H 1 3.510 0.020 . 2 . . . . 35 PRO HD2 . 17312 1 446 . 1 1 35 35 PRO HD3 H 1 3.370 0.020 . 2 . . . . 35 PRO HD3 . 17312 1 447 . 1 1 35 35 PRO C C 13 177.981 0.300 . 1 . . . . 35 PRO C . 17312 1 448 . 1 1 35 35 PRO CA C 13 64.335 0.300 . 1 . . . . 35 PRO CA . 17312 1 449 . 1 1 35 35 PRO CB C 13 31.994 0.300 . 1 . . . . 35 PRO CB . 17312 1 450 . 1 1 35 35 PRO CG C 13 26.971 0.300 . 1 . . . . 35 PRO CG . 17312 1 451 . 1 1 35 35 PRO CD C 13 50.005 0.300 . 1 . . . . 35 PRO CD . 17312 1 452 . 1 1 36 36 GLN H H 1 8.272 0.020 . 1 . . . . 36 GLN H . 17312 1 453 . 1 1 36 36 GLN HA H 1 3.217 0.020 . 1 . . . . 36 GLN HA . 17312 1 454 . 1 1 36 36 GLN HB2 H 1 1.904 0.020 . 2 . . . . 36 GLN HB2 . 17312 1 455 . 1 1 36 36 GLN HB3 H 1 1.663 0.020 . 2 . . . . 36 GLN HB3 . 17312 1 456 . 1 1 36 36 GLN HG2 H 1 1.989 0.020 . 2 . . . . 36 GLN QG . 17312 1 457 . 1 1 36 36 GLN HG3 H 1 1.989 0.020 . 2 . . . . 36 GLN QG . 17312 1 458 . 1 1 36 36 GLN HE21 H 1 7.403 0.020 . 2 . . . . 36 GLN HE21 . 17312 1 459 . 1 1 36 36 GLN HE22 H 1 6.883 0.020 . 2 . . . . 36 GLN HE22 . 17312 1 460 . 1 1 36 36 GLN C C 13 173.890 0.300 . 1 . . . . 36 GLN C . 17312 1 461 . 1 1 36 36 GLN CA C 13 53.960 0.300 . 1 . . . . 36 GLN CA . 17312 1 462 . 1 1 36 36 GLN CB C 13 27.369 0.300 . 1 . . . . 36 GLN CB . 17312 1 463 . 1 1 36 36 GLN CG C 13 34.128 0.300 . 1 . . . . 36 GLN CG . 17312 1 464 . 1 1 36 36 GLN CD C 13 180.952 0.300 . 1 . . . . 36 GLN CD . 17312 1 465 . 1 1 36 36 GLN N N 15 114.348 0.300 . 1 . . . . 36 GLN N . 17312 1 466 . 1 1 36 36 GLN NE2 N 15 111.846 0.300 . 1 . . . . 36 GLN NE2 . 17312 1 467 . 1 1 37 37 ASN H H 1 7.734 0.020 . 1 . . . . 37 ASN H . 17312 1 468 . 1 1 37 37 ASN HA H 1 5.040 0.020 . 1 . . . . 37 ASN HA . 17312 1 469 . 1 1 37 37 ASN HB2 H 1 3.540 0.020 . 2 . . . . 37 ASN HB2 . 17312 1 470 . 1 1 37 37 ASN HB3 H 1 2.655 0.020 . 2 . . . . 37 ASN HB3 . 17312 1 471 . 1 1 37 37 ASN HD21 H 1 7.194 0.020 . 2 . . . . 37 ASN HD21 . 17312 1 472 . 1 1 37 37 ASN HD22 H 1 6.959 0.020 . 2 . . . . 37 ASN HD22 . 17312 1 473 . 1 1 37 37 ASN CA C 13 49.313 0.300 . 1 . . . . 37 ASN CA . 17312 1 474 . 1 1 37 37 ASN CB C 13 39.733 0.300 . 1 . . . . 37 ASN CB . 17312 1 475 . 1 1 37 37 ASN CG C 13 177.576 0.300 . 1 . . . . 37 ASN CG . 17312 1 476 . 1 1 37 37 ASN N N 15 120.336 0.300 . 1 . . . . 37 ASN N . 17312 1 477 . 1 1 37 37 ASN ND2 N 15 112.723 0.300 . 1 . . . . 37 ASN ND2 . 17312 1 478 . 1 1 38 38 PRO HA H 1 4.510 0.020 . 1 . . . . 38 PRO HA . 17312 1 479 . 1 1 38 38 PRO HB2 H 1 2.207 0.020 . 2 . . . . 38 PRO HB2 . 17312 1 480 . 1 1 38 38 PRO HB3 H 1 1.670 0.020 . 2 . . . . 38 PRO HB3 . 17312 1 481 . 1 1 38 38 PRO HG2 H 1 1.536 0.020 . 2 . . . . 38 PRO HG2 . 17312 1 482 . 1 1 38 38 PRO HG3 H 1 1.380 0.020 . 2 . . . . 38 PRO HG3 . 17312 1 483 . 1 1 38 38 PRO HD2 H 1 3.844 0.020 . 2 . . . . 38 PRO HD2 . 17312 1 484 . 1 1 38 38 PRO HD3 H 1 3.746 0.020 . 2 . . . . 38 PRO HD3 . 17312 1 485 . 1 1 38 38 PRO C C 13 177.323 0.300 . 1 . . . . 38 PRO C . 17312 1 486 . 1 1 38 38 PRO CA C 13 64.596 0.300 . 1 . . . . 38 PRO CA . 17312 1 487 . 1 1 38 38 PRO CB C 13 32.984 0.300 . 1 . . . . 38 PRO CB . 17312 1 488 . 1 1 38 38 PRO CG C 13 26.811 0.300 . 1 . . . . 38 PRO CG . 17312 1 489 . 1 1 38 38 PRO CD C 13 50.445 0.300 . 1 . . . . 38 PRO CD . 17312 1 490 . 1 1 39 39 VAL H H 1 8.202 0.020 . 1 . . . . 39 VAL H . 17312 1 491 . 1 1 39 39 VAL HA H 1 3.569 0.020 . 1 . . . . 39 VAL HA . 17312 1 492 . 1 1 39 39 VAL HB H 1 1.971 0.020 . 1 . . . . 39 VAL HB . 17312 1 493 . 1 1 39 39 VAL HG11 H 1 0.949 0.020 . 1 . . . . 39 VAL QG1 . 17312 1 494 . 1 1 39 39 VAL HG12 H 1 0.949 0.020 . 1 . . . . 39 VAL QG1 . 17312 1 495 . 1 1 39 39 VAL HG13 H 1 0.949 0.020 . 1 . . . . 39 VAL QG1 . 17312 1 496 . 1 1 39 39 VAL HG21 H 1 0.786 0.020 . 1 . . . . 39 VAL QG2 . 17312 1 497 . 1 1 39 39 VAL HG22 H 1 0.786 0.020 . 1 . . . . 39 VAL QG2 . 17312 1 498 . 1 1 39 39 VAL HG23 H 1 0.786 0.020 . 1 . . . . 39 VAL QG2 . 17312 1 499 . 1 1 39 39 VAL C C 13 176.871 0.300 . 1 . . . . 39 VAL C . 17312 1 500 . 1 1 39 39 VAL CA C 13 66.630 0.300 . 1 . . . . 39 VAL CA . 17312 1 501 . 1 1 39 39 VAL CB C 13 31.687 0.300 . 1 . . . . 39 VAL CB . 17312 1 502 . 1 1 39 39 VAL CG1 C 13 23.673 0.300 . 2 . . . . 39 VAL CG1 . 17312 1 503 . 1 1 39 39 VAL CG2 C 13 20.715 0.300 . 2 . . . . 39 VAL CG2 . 17312 1 504 . 1 1 39 39 VAL N N 15 119.228 0.300 . 1 . . . . 39 VAL N . 17312 1 505 . 1 1 40 40 GLY H H 1 7.175 0.020 . 1 . . . . 40 GLY H . 17312 1 506 . 1 1 40 40 GLY HA2 H 1 3.879 0.020 . 2 . . . . 40 GLY HA2 . 17312 1 507 . 1 1 40 40 GLY HA3 H 1 3.238 0.020 . 2 . . . . 40 GLY HA3 . 17312 1 508 . 1 1 40 40 GLY C C 13 174.495 0.300 . 1 . . . . 40 GLY C . 17312 1 509 . 1 1 40 40 GLY CA C 13 48.480 0.300 . 1 . . . . 40 GLY CA . 17312 1 510 . 1 1 40 40 GLY N N 15 106.132 0.300 . 1 . . . . 40 GLY N . 17312 1 511 . 1 1 41 41 TYR H H 1 6.328 0.020 . 1 . . . . 41 TYR H . 17312 1 512 . 1 1 41 41 TYR HA H 1 3.837 0.020 . 1 . . . . 41 TYR HA . 17312 1 513 . 1 1 41 41 TYR HB2 H 1 3.404 0.020 . 2 . . . . 41 TYR HB2 . 17312 1 514 . 1 1 41 41 TYR HB3 H 1 2.676 0.020 . 2 . . . . 41 TYR HB3 . 17312 1 515 . 1 1 41 41 TYR HD1 H 1 7.417 0.020 . 3 . . . . 41 TYR QD . 17312 1 516 . 1 1 41 41 TYR HD2 H 1 7.417 0.020 . 3 . . . . 41 TYR QD . 17312 1 517 . 1 1 41 41 TYR HE1 H 1 6.810 0.020 . 3 . . . . 41 TYR QE . 17312 1 518 . 1 1 41 41 TYR HE2 H 1 6.810 0.020 . 3 . . . . 41 TYR QE . 17312 1 519 . 1 1 41 41 TYR C C 13 177.498 0.300 . 1 . . . . 41 TYR C . 17312 1 520 . 1 1 41 41 TYR CA C 13 61.337 0.300 . 1 . . . . 41 TYR CA . 17312 1 521 . 1 1 41 41 TYR CB C 13 38.178 0.300 . 1 . . . . 41 TYR CB . 17312 1 522 . 1 1 41 41 TYR CG C 13 130.077 0.300 . 1 . . . . 41 TYR CG . 17312 1 523 . 1 1 41 41 TYR CD1 C 13 133.302 0.300 . 3 . . . . 41 TYR CD1 . 17312 1 524 . 1 1 41 41 TYR CD2 C 13 133.232 0.300 . 3 . . . . 41 TYR CD2 . 17312 1 525 . 1 1 41 41 TYR CE1 C 13 119.251 0.300 . 3 . . . . 41 TYR CE1 . 17312 1 526 . 1 1 41 41 TYR CE2 C 13 119.123 0.300 . 3 . . . . 41 TYR CE2 . 17312 1 527 . 1 1 41 41 TYR CZ C 13 157.462 0.300 . 1 . . . . 41 TYR CZ . 17312 1 528 . 1 1 41 41 TYR N N 15 117.122 0.300 . 1 . . . . 41 TYR N . 17312 1 529 . 1 1 42 42 SER H H 1 8.023 0.020 . 1 . . . . 42 SER H . 17312 1 530 . 1 1 42 42 SER HA H 1 3.829 0.020 . 1 . . . . 42 SER HA . 17312 1 531 . 1 1 42 42 SER HB2 H 1 3.858 0.020 . 2 . . . . 42 SER HB2 . 17312 1 532 . 1 1 42 42 SER HB3 H 1 3.463 0.020 . 2 . . . . 42 SER HB3 . 17312 1 533 . 1 1 42 42 SER C C 13 178.515 0.300 . 1 . . . . 42 SER C . 17312 1 534 . 1 1 42 42 SER CA C 13 61.704 0.300 . 1 . . . . 42 SER CA . 17312 1 535 . 1 1 42 42 SER CB C 13 63.520 0.300 . 1 . . . . 42 SER CB . 17312 1 536 . 1 1 42 42 SER N N 15 111.460 0.300 . 1 . . . . 42 SER N . 17312 1 537 . 1 1 43 43 ASN H H 1 8.359 0.020 . 1 . . . . 43 ASN H . 17312 1 538 . 1 1 43 43 ASN HA H 1 3.791 0.020 . 1 . . . . 43 ASN HA . 17312 1 539 . 1 1 43 43 ASN HB2 H 1 1.669 0.020 . 2 . . . . 43 ASN HB2 . 17312 1 540 . 1 1 43 43 ASN HB3 H 1 0.932 0.020 . 2 . . . . 43 ASN HB3 . 17312 1 541 . 1 1 43 43 ASN C C 13 176.131 0.300 . 1 . . . . 43 ASN C . 17312 1 542 . 1 1 43 43 ASN CA C 13 55.222 0.300 . 1 . . . . 43 ASN CA . 17312 1 543 . 1 1 43 43 ASN CB C 13 33.001 0.300 . 1 . . . . 43 ASN CB . 17312 1 544 . 1 1 43 43 ASN CG C 13 175.811 0.300 . 1 . . . . 43 ASN CG . 17312 1 545 . 1 1 43 43 ASN N N 15 120.253 0.300 . 1 . . . . 43 ASN N . 17312 1 546 . 1 1 44 44 LYS H H 1 7.835 0.020 . 1 . . . . 44 LYS H . 17312 1 547 . 1 1 44 44 LYS HA H 1 3.839 0.020 . 1 . . . . 44 LYS HA . 17312 1 548 . 1 1 44 44 LYS HB2 H 1 1.911 0.020 . 2 . . . . 44 LYS HB2 . 17312 1 549 . 1 1 44 44 LYS HB3 H 1 1.869 0.020 . 2 . . . . 44 LYS HB3 . 17312 1 550 . 1 1 44 44 LYS HG2 H 1 1.471 0.020 . 2 . . . . 44 LYS HG2 . 17312 1 551 . 1 1 44 44 LYS HG3 H 1 1.437 0.020 . 2 . . . . 44 LYS HG3 . 17312 1 552 . 1 1 44 44 LYS HD2 H 1 1.877 0.020 . 2 . . . . 44 LYS HD2 . 17312 1 553 . 1 1 44 44 LYS HD3 H 1 1.690 0.020 . 2 . . . . 44 LYS HD3 . 17312 1 554 . 1 1 44 44 LYS HE2 H 1 2.856 0.020 . 2 . . . . 44 LYS HE2 . 17312 1 555 . 1 1 44 44 LYS HE3 H 1 2.826 0.020 . 2 . . . . 44 LYS HE3 . 17312 1 556 . 1 1 44 44 LYS HZ1 H 1 8.201 0.020 . 1 . . . . 44 LYS QZ . 17312 1 557 . 1 1 44 44 LYS HZ2 H 1 8.201 0.020 . 1 . . . . 44 LYS QZ . 17312 1 558 . 1 1 44 44 LYS HZ3 H 1 8.201 0.020 . 1 . . . . 44 LYS QZ . 17312 1 559 . 1 1 44 44 LYS C C 13 177.626 0.300 . 1 . . . . 44 LYS C . 17312 1 560 . 1 1 44 44 LYS CA C 13 61.127 0.300 . 1 . . . . 44 LYS CA . 17312 1 561 . 1 1 44 44 LYS CB C 13 33.568 0.300 . 1 . . . . 44 LYS CB . 17312 1 562 . 1 1 44 44 LYS CG C 13 26.819 0.300 . 1 . . . . 44 LYS CG . 17312 1 563 . 1 1 44 44 LYS CD C 13 30.338 0.300 . 1 . . . . 44 LYS CD . 17312 1 564 . 1 1 44 44 LYS CE C 13 42.562 0.300 . 1 . . . . 44 LYS CE . 17312 1 565 . 1 1 44 44 LYS N N 15 119.155 0.300 . 1 . . . . 44 LYS N . 17312 1 566 . 1 1 45 45 ALA H H 1 8.640 0.020 . 1 . . . . 45 ALA H . 17312 1 567 . 1 1 45 45 ALA HA H 1 3.838 0.020 . 1 . . . . 45 ALA HA . 17312 1 568 . 1 1 45 45 ALA HB1 H 1 1.489 0.020 . 1 . . . . 45 ALA QB . 17312 1 569 . 1 1 45 45 ALA HB2 H 1 1.489 0.020 . 1 . . . . 45 ALA QB . 17312 1 570 . 1 1 45 45 ALA HB3 H 1 1.489 0.020 . 1 . . . . 45 ALA QB . 17312 1 571 . 1 1 45 45 ALA C C 13 178.800 0.300 . 1 . . . . 45 ALA C . 17312 1 572 . 1 1 45 45 ALA CA C 13 56.072 0.300 . 1 . . . . 45 ALA CA . 17312 1 573 . 1 1 45 45 ALA CB C 13 19.765 0.300 . 1 . . . . 45 ALA CB . 17312 1 574 . 1 1 45 45 ALA N N 15 118.454 0.300 . 1 . . . . 45 ALA N . 17312 1 575 . 1 1 46 46 MET H H 1 7.343 0.020 . 1 . . . . 46 MET H . 17312 1 576 . 1 1 46 46 MET HA H 1 4.622 0.050 . 1 . . . . 46 MET HA . 17312 1 577 . 1 1 46 46 MET HB2 H 1 2.764 0.020 . 2 . . . . 46 MET HB2 . 17312 1 578 . 1 1 46 46 MET HB3 H 1 2.453 0.020 . 2 . . . . 46 MET HB3 . 17312 1 579 . 1 1 46 46 MET HG2 H 1 2.113 0.020 . 2 . . . . 46 MET HG2 . 17312 1 580 . 1 1 46 46 MET HG3 H 1 2.005 0.020 . 2 . . . . 46 MET HG3 . 17312 1 581 . 1 1 46 46 MET HE1 H 1 2.222 0.020 . 1 . . . . 46 MET QE . 17312 1 582 . 1 1 46 46 MET HE2 H 1 2.222 0.020 . 1 . . . . 46 MET QE . 17312 1 583 . 1 1 46 46 MET HE3 H 1 2.222 0.020 . 1 . . . . 46 MET QE . 17312 1 584 . 1 1 46 46 MET C C 13 177.893 0.300 . 1 . . . . 46 MET C . 17312 1 585 . 1 1 46 46 MET CA C 13 56.836 0.300 . 1 . . . . 46 MET CA . 17312 1 586 . 1 1 46 46 MET CB C 13 33.782 0.300 . 1 . . . . 46 MET CB . 17312 1 587 . 1 1 46 46 MET CG C 13 28.250 0.300 . 1 . . . . 46 MET CG . 17312 1 588 . 1 1 46 46 MET CE C 13 20.689 0.300 . 1 . . . . 46 MET CE . 17312 1 589 . 1 1 46 46 MET N N 15 115.197 0.300 . 1 . . . . 46 MET N . 17312 1 590 . 1 1 47 47 ALA H H 1 7.861 0.020 . 1 . . . . 47 ALA H . 17312 1 591 . 1 1 47 47 ALA HA H 1 4.057 0.020 . 1 . . . . 47 ALA HA . 17312 1 592 . 1 1 47 47 ALA HB1 H 1 1.816 0.020 . 1 . . . . 47 ALA QB . 17312 1 593 . 1 1 47 47 ALA HB2 H 1 1.816 0.020 . 1 . . . . 47 ALA QB . 17312 1 594 . 1 1 47 47 ALA HB3 H 1 1.816 0.020 . 1 . . . . 47 ALA QB . 17312 1 595 . 1 1 47 47 ALA C C 13 178.124 0.300 . 1 . . . . 47 ALA C . 17312 1 596 . 1 1 47 47 ALA CA C 13 55.954 0.300 . 1 . . . . 47 ALA CA . 17312 1 597 . 1 1 47 47 ALA CB C 13 18.900 0.300 . 1 . . . . 47 ALA CB . 17312 1 598 . 1 1 47 47 ALA N N 15 120.633 0.300 . 1 . . . . 47 ALA N . 17312 1 599 . 1 1 48 48 LEU H H 1 8.540 0.020 . 1 . . . . 48 LEU H . 17312 1 600 . 1 1 48 48 LEU HA H 1 3.883 0.020 . 1 . . . . 48 LEU HA . 17312 1 601 . 1 1 48 48 LEU HB2 H 1 1.872 0.020 . 2 . . . . 48 LEU HB2 . 17312 1 602 . 1 1 48 48 LEU HB3 H 1 1.631 0.020 . 2 . . . . 48 LEU HB3 . 17312 1 603 . 1 1 48 48 LEU HG H 1 1.830 0.020 . 1 . . . . 48 LEU HG . 17312 1 604 . 1 1 48 48 LEU HD11 H 1 0.696 0.020 . 1 . . . . 48 LEU QD1 . 17312 1 605 . 1 1 48 48 LEU HD12 H 1 0.696 0.020 . 1 . . . . 48 LEU QD1 . 17312 1 606 . 1 1 48 48 LEU HD13 H 1 0.696 0.020 . 1 . . . . 48 LEU QD1 . 17312 1 607 . 1 1 48 48 LEU HD21 H 1 0.831 0.020 . 1 . . . . 48 LEU QD2 . 17312 1 608 . 1 1 48 48 LEU HD22 H 1 0.831 0.020 . 1 . . . . 48 LEU QD2 . 17312 1 609 . 1 1 48 48 LEU HD23 H 1 0.831 0.020 . 1 . . . . 48 LEU QD2 . 17312 1 610 . 1 1 48 48 LEU C C 13 179.867 0.300 . 1 . . . . 48 LEU C . 17312 1 611 . 1 1 48 48 LEU CA C 13 57.917 0.300 . 1 . . . . 48 LEU CA . 17312 1 612 . 1 1 48 48 LEU CB C 13 40.930 0.300 . 1 . . . . 48 LEU CB . 17312 1 613 . 1 1 48 48 LEU CG C 13 26.250 0.300 . 1 . . . . 48 LEU CG . 17312 1 614 . 1 1 48 48 LEU CD1 C 13 27.379 0.300 . 2 . . . . 48 LEU CD1 . 17312 1 615 . 1 1 48 48 LEU CD2 C 13 21.914 0.300 . 2 . . . . 48 LEU CD2 . 17312 1 616 . 1 1 48 48 LEU N N 15 116.244 0.300 . 1 . . . . 48 LEU N . 17312 1 617 . 1 1 49 49 ILE H H 1 8.306 0.020 . 1 . . . . 49 ILE H . 17312 1 618 . 1 1 49 49 ILE HA H 1 3.209 0.020 . 1 . . . . 49 ILE HA . 17312 1 619 . 1 1 49 49 ILE HB H 1 2.105 0.020 . 1 . . . . 49 ILE HB . 17312 1 620 . 1 1 49 49 ILE HG12 H 1 1.865 0.020 . 2 . . . . 49 ILE HG12 . 17312 1 621 . 1 1 49 49 ILE HG13 H 1 0.783 0.020 . 2 . . . . 49 ILE HG13 . 17312 1 622 . 1 1 49 49 ILE HG21 H 1 0.919 0.020 . 1 . . . . 49 ILE QG2 . 17312 1 623 . 1 1 49 49 ILE HG22 H 1 0.919 0.020 . 1 . . . . 49 ILE QG2 . 17312 1 624 . 1 1 49 49 ILE HG23 H 1 0.919 0.020 . 1 . . . . 49 ILE QG2 . 17312 1 625 . 1 1 49 49 ILE HD11 H 1 0.972 0.020 . 1 . . . . 49 ILE QD1 . 17312 1 626 . 1 1 49 49 ILE HD12 H 1 0.972 0.020 . 1 . . . . 49 ILE QD1 . 17312 1 627 . 1 1 49 49 ILE HD13 H 1 0.972 0.020 . 1 . . . . 49 ILE QD1 . 17312 1 628 . 1 1 49 49 ILE C C 13 179.582 0.300 . 1 . . . . 49 ILE C . 17312 1 629 . 1 1 49 49 ILE CA C 13 66.689 0.300 . 1 . . . . 49 ILE CA . 17312 1 630 . 1 1 49 49 ILE CB C 13 37.622 0.300 . 1 . . . . 49 ILE CB . 17312 1 631 . 1 1 49 49 ILE CG1 C 13 31.696 0.300 . 1 . . . . 49 ILE CG1 . 17312 1 632 . 1 1 49 49 ILE CG2 C 13 17.668 0.300 . 1 . . . . 49 ILE CG2 . 17312 1 633 . 1 1 49 49 ILE CD1 C 13 14.181 0.300 . 1 . . . . 49 ILE CD1 . 17312 1 634 . 1 1 49 49 ILE N N 15 121.730 0.300 . 1 . . . . 49 ILE N . 17312 1 635 . 1 1 50 50 LYS H H 1 7.474 0.020 . 1 . . . . 50 LYS H . 17312 1 636 . 1 1 50 50 LYS HA H 1 3.759 0.020 . 1 . . . . 50 LYS HA . 17312 1 637 . 1 1 50 50 LYS HB2 H 1 1.153 0.020 . 2 . . . . 50 LYS HB2 . 17312 1 638 . 1 1 50 50 LYS HB3 H 1 0.532 0.020 . 2 . . . . 50 LYS HB3 . 17312 1 639 . 1 1 50 50 LYS HG2 H 1 1.481 0.020 . 2 . . . . 50 LYS HG2 . 17312 1 640 . 1 1 50 50 LYS HG3 H 1 1.138 0.020 . 2 . . . . 50 LYS HG3 . 17312 1 641 . 1 1 50 50 LYS HD2 H 1 1.301 0.020 . 2 . . . . 50 LYS QD . 17312 1 642 . 1 1 50 50 LYS HD3 H 1 1.301 0.020 . 2 . . . . 50 LYS QD . 17312 1 643 . 1 1 50 50 LYS HE2 H 1 2.866 0.020 . 2 . . . . 50 LYS HE2 . 17312 1 644 . 1 1 50 50 LYS HE3 H 1 2.721 0.020 . 2 . . . . 50 LYS HE3 . 17312 1 645 . 1 1 50 50 LYS HZ1 H 1 7.098 0.020 . 1 . . . . 50 LYS QZ . 17312 1 646 . 1 1 50 50 LYS HZ2 H 1 7.098 0.020 . 1 . . . . 50 LYS QZ . 17312 1 647 . 1 1 50 50 LYS HZ3 H 1 7.098 0.020 . 1 . . . . 50 LYS QZ . 17312 1 648 . 1 1 50 50 LYS C C 13 178.391 0.300 . 1 . . . . 50 LYS C . 17312 1 649 . 1 1 50 50 LYS CA C 13 56.681 0.300 . 1 . . . . 50 LYS CA . 17312 1 650 . 1 1 50 50 LYS CB C 13 28.936 0.300 . 1 . . . . 50 LYS CB . 17312 1 651 . 1 1 50 50 LYS CG C 13 24.566 0.300 . 1 . . . . 50 LYS CG . 17312 1 652 . 1 1 50 50 LYS CD C 13 27.006 0.300 . 1 . . . . 50 LYS CD . 17312 1 653 . 1 1 50 50 LYS CE C 13 41.802 0.300 . 1 . . . . 50 LYS CE . 17312 1 654 . 1 1 50 50 LYS N N 15 119.765 0.300 . 1 . . . . 50 LYS N . 17312 1 655 . 1 1 51 51 LEU H H 1 7.082 0.020 . 1 . . . . 51 LEU H . 17312 1 656 . 1 1 51 51 LEU HA H 1 4.171 0.020 . 1 . . . . 51 LEU HA . 17312 1 657 . 1 1 51 51 LEU HB2 H 1 1.763 0.020 . 2 . . . . 51 LEU HB2 . 17312 1 658 . 1 1 51 51 LEU HB3 H 1 1.615 0.020 . 2 . . . . 51 LEU HB3 . 17312 1 659 . 1 1 51 51 LEU HG H 1 1.599 0.020 . 1 . . . . 51 LEU HG . 17312 1 660 . 1 1 51 51 LEU HD11 H 1 0.657 0.020 . 1 . . . . 51 LEU QD1 . 17312 1 661 . 1 1 51 51 LEU HD12 H 1 0.657 0.020 . 1 . . . . 51 LEU QD1 . 17312 1 662 . 1 1 51 51 LEU HD13 H 1 0.657 0.020 . 1 . . . . 51 LEU QD1 . 17312 1 663 . 1 1 51 51 LEU HD21 H 1 1.035 0.020 . 1 . . . . 51 LEU QD2 . 17312 1 664 . 1 1 51 51 LEU HD22 H 1 1.035 0.020 . 1 . . . . 51 LEU QD2 . 17312 1 665 . 1 1 51 51 LEU HD23 H 1 1.035 0.020 . 1 . . . . 51 LEU QD2 . 17312 1 666 . 1 1 51 51 LEU C C 13 176.818 0.300 . 1 . . . . 51 LEU C . 17312 1 667 . 1 1 51 51 LEU CA C 13 54.927 0.300 . 1 . . . . 51 LEU CA . 17312 1 668 . 1 1 51 51 LEU CB C 13 43.895 0.300 . 1 . . . . 51 LEU CB . 17312 1 669 . 1 1 51 51 LEU CG C 13 26.593 0.300 . 1 . . . . 51 LEU CG . 17312 1 670 . 1 1 51 51 LEU CD1 C 13 25.211 0.300 . 2 . . . . 51 LEU CD1 . 17312 1 671 . 1 1 51 51 LEU CD2 C 13 23.407 0.300 . 2 . . . . 51 LEU CD2 . 17312 1 672 . 1 1 51 51 LEU N N 15 117.367 0.300 . 1 . . . . 51 LEU N . 17312 1 673 . 1 1 52 52 GLY H H 1 7.652 0.020 . 1 . . . . 52 GLY H . 17312 1 674 . 1 1 52 52 GLY HA2 H 1 3.826 0.020 . 2 . . . . 52 GLY HA2 . 17312 1 675 . 1 1 52 52 GLY HA3 H 1 2.778 0.020 . 2 . . . . 52 GLY HA3 . 17312 1 676 . 1 1 52 52 GLY C C 13 174.281 0.300 . 1 . . . . 52 GLY C . 17312 1 677 . 1 1 52 52 GLY CA C 13 44.817 0.300 . 1 . . . . 52 GLY CA . 17312 1 678 . 1 1 52 52 GLY N N 15 108.877 0.300 . 1 . . . . 52 GLY N . 17312 1 679 . 1 1 53 53 GLU H H 1 7.791 0.020 . 1 . . . . 53 GLU H . 17312 1 680 . 1 1 53 53 GLU HA H 1 4.453 0.020 . 1 . . . . 53 GLU HA . 17312 1 681 . 1 1 53 53 GLU HB2 H 1 2.022 0.020 . 2 . . . . 53 GLU HB2 . 17312 1 682 . 1 1 53 53 GLU HB3 H 1 1.566 0.020 . 2 . . . . 53 GLU HB3 . 17312 1 683 . 1 1 53 53 GLU HG2 H 1 2.062 0.020 . 2 . . . . 53 GLU HG2 . 17312 1 684 . 1 1 53 53 GLU HG3 H 1 1.928 0.020 . 2 . . . . 53 GLU HG3 . 17312 1 685 . 1 1 53 53 GLU C C 13 177.039 0.300 . 1 . . . . 53 GLU C . 17312 1 686 . 1 1 53 53 GLU CA C 13 53.257 0.300 . 1 . . . . 53 GLU CA . 17312 1 687 . 1 1 53 53 GLU CB C 13 27.381 0.300 . 1 . . . . 53 GLU CB . 17312 1 688 . 1 1 53 53 GLU CG C 13 34.330 0.300 . 1 . . . . 53 GLU CG . 17312 1 689 . 1 1 53 53 GLU CD C 13 183.158 0.300 . 1 . . . . 53 GLU CD . 17312 1 690 . 1 1 53 53 GLU N N 15 122.628 0.300 . 1 . . . . 53 GLU N . 17312 1 691 . 1 1 54 54 TYR H H 1 6.984 0.020 . 1 . . . . 54 TYR H . 17312 1 692 . 1 1 54 54 TYR HA H 1 3.931 0.020 . 1 . . . . 54 TYR HA . 17312 1 693 . 1 1 54 54 TYR HB2 H 1 3.205 0.020 . 2 . . . . 54 TYR HB2 . 17312 1 694 . 1 1 54 54 TYR HB3 H 1 2.760 0.020 . 2 . . . . 54 TYR HB3 . 17312 1 695 . 1 1 54 54 TYR HD1 H 1 6.942 0.020 . 3 . . . . 54 TYR QD . 17312 1 696 . 1 1 54 54 TYR HD2 H 1 6.942 0.020 . 3 . . . . 54 TYR QD . 17312 1 697 . 1 1 54 54 TYR HE1 H 1 6.832 0.020 . 3 . . . . 54 TYR QE . 17312 1 698 . 1 1 54 54 TYR HE2 H 1 6.832 0.020 . 3 . . . . 54 TYR QE . 17312 1 699 . 1 1 54 54 TYR C C 13 177.893 0.300 . 1 . . . . 54 TYR C . 17312 1 700 . 1 1 54 54 TYR CA C 13 61.966 0.300 . 1 . . . . 54 TYR CA . 17312 1 701 . 1 1 54 54 TYR CB C 13 38.239 0.300 . 1 . . . . 54 TYR CB . 17312 1 702 . 1 1 54 54 TYR CG C 13 129.780 0.300 . 1 . . . . 54 TYR CG . 17312 1 703 . 1 1 54 54 TYR CD1 C 13 131.866 0.300 . 3 . . . . 54 TYR CD1 . 17312 1 704 . 1 1 54 54 TYR CD2 C 13 131.998 0.300 . 3 . . . . 54 TYR CD2 . 17312 1 705 . 1 1 54 54 TYR CE1 C 13 119.559 0.300 . 3 . . . . 54 TYR CE1 . 17312 1 706 . 1 1 54 54 TYR CE2 C 13 119.680 0.300 . 3 . . . . 54 TYR CE2 . 17312 1 707 . 1 1 54 54 TYR CZ C 13 157.725 0.300 . 1 . . . . 54 TYR CZ . 17312 1 708 . 1 1 54 54 TYR N N 15 118.990 0.300 . 1 . . . . 54 TYR N . 17312 1 709 . 1 1 55 55 THR H H 1 8.602 0.020 . 1 . . . . 55 THR H . 17312 1 710 . 1 1 55 55 THR HA H 1 3.889 0.020 . 1 . . . . 55 THR HA . 17312 1 711 . 1 1 55 55 THR HB H 1 4.152 0.020 . 1 . . . . 55 THR HB . 17312 1 712 . 1 1 55 55 THR HG21 H 1 1.242 0.020 . 1 . . . . 55 THR QG2 . 17312 1 713 . 1 1 55 55 THR HG22 H 1 1.242 0.020 . 1 . . . . 55 THR QG2 . 17312 1 714 . 1 1 55 55 THR HG23 H 1 1.242 0.020 . 1 . . . . 55 THR QG2 . 17312 1 715 . 1 1 55 55 THR C C 13 177.768 0.300 . 1 . . . . 55 THR C . 17312 1 716 . 1 1 55 55 THR CA C 13 67.139 0.300 . 1 . . . . 55 THR CA . 17312 1 717 . 1 1 55 55 THR CB C 13 67.875 0.300 . 1 . . . . 55 THR CB . 17312 1 718 . 1 1 55 55 THR CG2 C 13 22.204 0.300 . 1 . . . . 55 THR CG2 . 17312 1 719 . 1 1 55 55 THR N N 15 114.598 0.300 . 1 . . . . 55 THR N . 17312 1 720 . 1 1 56 56 GLN H H 1 8.351 0.020 . 1 . . . . 56 GLN H . 17312 1 721 . 1 1 56 56 GLN HA H 1 4.150 0.023 . 1 . . . . 56 GLN HA . 17312 1 722 . 1 1 56 56 GLN HB2 H 1 2.121 0.025 . 2 . . . . 56 GLN HB2 . 17312 1 723 . 1 1 56 56 GLN HB3 H 1 1.998 0.020 . 2 . . . . 56 GLN HB3 . 17312 1 724 . 1 1 56 56 GLN HG2 H 1 2.541 0.020 . 2 . . . . 56 GLN HG2 . 17312 1 725 . 1 1 56 56 GLN HG3 H 1 2.337 0.020 . 2 . . . . 56 GLN HG3 . 17312 1 726 . 1 1 56 56 GLN HE21 H 1 7.319 0.020 . 2 . . . . 56 GLN HE21 . 17312 1 727 . 1 1 56 56 GLN HE22 H 1 6.818 0.020 . 2 . . . . 56 GLN HE22 . 17312 1 728 . 1 1 56 56 GLN C C 13 178.622 0.300 . 1 . . . . 56 GLN C . 17312 1 729 . 1 1 56 56 GLN CA C 13 59.001 0.300 . 1 . . . . 56 GLN CA . 17312 1 730 . 1 1 56 56 GLN CB C 13 29.619 0.300 . 1 . . . . 56 GLN CB . 17312 1 731 . 1 1 56 56 GLN CG C 13 34.935 0.300 . 1 . . . . 56 GLN CG . 17312 1 732 . 1 1 56 56 GLN CD C 13 179.566 0.300 . 1 . . . . 56 GLN CD . 17312 1 733 . 1 1 56 56 GLN N N 15 121.732 0.300 . 1 . . . . 56 GLN N . 17312 1 734 . 1 1 56 56 GLN NE2 N 15 111.404 0.300 . 1 . . . . 56 GLN NE2 . 17312 1 735 . 1 1 57 57 ALA H H 1 8.315 0.020 . 1 . . . . 57 ALA H . 17312 1 736 . 1 1 57 57 ALA HA H 1 3.840 0.020 . 1 . . . . 57 ALA HA . 17312 1 737 . 1 1 57 57 ALA HB1 H 1 1.519 0.020 . 1 . . . . 57 ALA QB . 17312 1 738 . 1 1 57 57 ALA HB2 H 1 1.519 0.020 . 1 . . . . 57 ALA QB . 17312 1 739 . 1 1 57 57 ALA HB3 H 1 1.519 0.020 . 1 . . . . 57 ALA QB . 17312 1 740 . 1 1 57 57 ALA C C 13 179.582 0.300 . 1 . . . . 57 ALA C . 17312 1 741 . 1 1 57 57 ALA CA C 13 56.272 0.300 . 1 . . . . 57 ALA CA . 17312 1 742 . 1 1 57 57 ALA CB C 13 18.493 0.300 . 1 . . . . 57 ALA CB . 17312 1 743 . 1 1 57 57 ALA N N 15 122.609 0.300 . 1 . . . . 57 ALA N . 17312 1 744 . 1 1 58 58 ILE H H 1 8.391 0.020 . 1 . . . . 58 ILE H . 17312 1 745 . 1 1 58 58 ILE HA H 1 3.363 0.020 . 1 . . . . 58 ILE HA . 17312 1 746 . 1 1 58 58 ILE HB H 1 1.975 0.020 . 1 . . . . 58 ILE HB . 17312 1 747 . 1 1 58 58 ILE HG12 H 1 2.030 0.020 . 2 . . . . 58 ILE HG12 . 17312 1 748 . 1 1 58 58 ILE HG13 H 1 0.835 0.020 . 2 . . . . 58 ILE HG13 . 17312 1 749 . 1 1 58 58 ILE HG21 H 1 0.780 0.020 . 1 . . . . 58 ILE QG2 . 17312 1 750 . 1 1 58 58 ILE HG22 H 1 0.780 0.020 . 1 . . . . 58 ILE QG2 . 17312 1 751 . 1 1 58 58 ILE HG23 H 1 0.780 0.020 . 1 . . . . 58 ILE QG2 . 17312 1 752 . 1 1 58 58 ILE HD11 H 1 0.765 0.020 . 1 . . . . 58 ILE QD1 . 17312 1 753 . 1 1 58 58 ILE HD12 H 1 0.765 0.020 . 1 . . . . 58 ILE QD1 . 17312 1 754 . 1 1 58 58 ILE HD13 H 1 0.765 0.020 . 1 . . . . 58 ILE QD1 . 17312 1 755 . 1 1 58 58 ILE C C 13 177.483 0.300 . 1 . . . . 58 ILE C . 17312 1 756 . 1 1 58 58 ILE CA C 13 66.744 0.300 . 1 . . . . 58 ILE CA . 17312 1 757 . 1 1 58 58 ILE CB C 13 38.739 0.300 . 1 . . . . 58 ILE CB . 17312 1 758 . 1 1 58 58 ILE CG1 C 13 30.822 0.300 . 1 . . . . 58 ILE CG1 . 17312 1 759 . 1 1 58 58 ILE CG2 C 13 16.227 0.300 . 1 . . . . 58 ILE CG2 . 17312 1 760 . 1 1 58 58 ILE CD1 C 13 14.446 0.300 . 1 . . . . 58 ILE CD1 . 17312 1 761 . 1 1 58 58 ILE N N 15 119.779 0.300 . 1 . . . . 58 ILE N . 17312 1 762 . 1 1 59 59 GLN H H 1 7.208 0.020 . 1 . . . . 59 GLN H . 17312 1 763 . 1 1 59 59 GLN HA H 1 4.057 0.020 . 1 . . . . 59 GLN HA . 17312 1 764 . 1 1 59 59 GLN HB2 H 1 2.250 0.020 . 2 . . . . 59 GLN HB2 . 17312 1 765 . 1 1 59 59 GLN HB3 H 1 2.120 0.020 . 2 . . . . 59 GLN HB3 . 17312 1 766 . 1 1 59 59 GLN HG2 H 1 2.514 0.020 . 2 . . . . 59 GLN HG2 . 17312 1 767 . 1 1 59 59 GLN HG3 H 1 2.365 0.026 . 2 . . . . 59 GLN HG3 . 17312 1 768 . 1 1 59 59 GLN HE21 H 1 7.416 0.020 . 2 . . . . 59 GLN HE21 . 17312 1 769 . 1 1 59 59 GLN HE22 H 1 6.819 0.020 . 2 . . . . 59 GLN HE22 . 17312 1 770 . 1 1 59 59 GLN C C 13 179.227 0.300 . 1 . . . . 59 GLN C . 17312 1 771 . 1 1 59 59 GLN CA C 13 59.079 0.300 . 1 . . . . 59 GLN CA . 17312 1 772 . 1 1 59 59 GLN CB C 13 28.172 0.300 . 1 . . . . 59 GLN CB . 17312 1 773 . 1 1 59 59 GLN CG C 13 33.952 0.300 . 1 . . . . 59 GLN CG . 17312 1 774 . 1 1 59 59 GLN CD C 13 179.671 0.300 . 1 . . . . 59 GLN CD . 17312 1 775 . 1 1 59 59 GLN N N 15 117.443 0.300 . 1 . . . . 59 GLN N . 17312 1 776 . 1 1 59 59 GLN NE2 N 15 111.847 0.300 . 1 . . . . 59 GLN NE2 . 17312 1 777 . 1 1 60 60 MET H H 1 8.187 0.020 . 1 . . . . 60 MET H . 17312 1 778 . 1 1 60 60 MET HA H 1 4.627 0.020 . 1 . . . . 60 MET HA . 17312 1 779 . 1 1 60 60 MET HB2 H 1 2.427 0.020 . 2 . . . . 60 MET HB2 . 17312 1 780 . 1 1 60 60 MET HB3 H 1 2.394 0.020 . 2 . . . . 60 MET HB3 . 17312 1 781 . 1 1 60 60 MET HG2 H 1 2.763 0.020 . 2 . . . . 60 MET HG2 . 17312 1 782 . 1 1 60 60 MET HG3 H 1 2.444 0.020 . 2 . . . . 60 MET HG3 . 17312 1 783 . 1 1 60 60 MET HE1 H 1 2.275 0.020 . 1 . . . . 60 MET QE . 17312 1 784 . 1 1 60 60 MET HE2 H 1 2.275 0.020 . 1 . . . . 60 MET QE . 17312 1 785 . 1 1 60 60 MET HE3 H 1 2.275 0.020 . 1 . . . . 60 MET QE . 17312 1 786 . 1 1 60 60 MET C C 13 178.889 0.300 . 1 . . . . 60 MET C . 17312 1 787 . 1 1 60 60 MET CA C 13 56.636 0.300 . 1 . . . . 60 MET CA . 17312 1 788 . 1 1 60 60 MET CB C 13 35.250 0.300 . 1 . . . . 60 MET CB . 17312 1 789 . 1 1 60 60 MET CG C 13 33.601 0.300 . 1 . . . . 60 MET CG . 17312 1 790 . 1 1 60 60 MET CE C 13 20.677 0.300 . 1 . . . . 60 MET CE . 17312 1 791 . 1 1 60 60 MET N N 15 116.571 0.300 . 1 . . . . 60 MET N . 17312 1 792 . 1 1 61 61 CYS H H 1 8.547 0.020 . 1 . . . . 61 CYS H . 17312 1 793 . 1 1 61 61 CYS HA H 1 4.137 0.020 . 1 . . . . 61 CYS HA . 17312 1 794 . 1 1 61 61 CYS HB2 H 1 3.149 0.020 . 2 . . . . 61 CYS HB2 . 17312 1 795 . 1 1 61 61 CYS HB3 H 1 2.491 0.020 . 2 . . . . 61 CYS HB3 . 17312 1 796 . 1 1 61 61 CYS C C 13 176.630 0.300 . 1 . . . . 61 CYS C . 17312 1 797 . 1 1 61 61 CYS CA C 13 63.877 0.300 . 1 . . . . 61 CYS CA . 17312 1 798 . 1 1 61 61 CYS CB C 13 27.944 0.300 . 1 . . . . 61 CYS CB . 17312 1 799 . 1 1 61 61 CYS N N 15 118.502 0.300 . 1 . . . . 61 CYS N . 17312 1 800 . 1 1 62 62 GLN H H 1 8.387 0.020 . 1 . . . . 62 GLN H . 17312 1 801 . 1 1 62 62 GLN HA H 1 3.876 0.020 . 1 . . . . 62 GLN HA . 17312 1 802 . 1 1 62 62 GLN HB2 H 1 2.113 0.020 . 2 . . . . 62 GLN HB2 . 17312 1 803 . 1 1 62 62 GLN HB3 H 1 1.821 0.020 . 2 . . . . 62 GLN HB3 . 17312 1 804 . 1 1 62 62 GLN HG2 H 1 2.299 0.020 . 2 . . . . 62 GLN HG2 . 17312 1 805 . 1 1 62 62 GLN HG3 H 1 2.261 0.020 . 2 . . . . 62 GLN HG3 . 17312 1 806 . 1 1 62 62 GLN HE21 H 1 7.123 0.020 . 2 . . . . 62 GLN HE21 . 17312 1 807 . 1 1 62 62 GLN HE22 H 1 6.655 0.020 . 2 . . . . 62 GLN HE22 . 17312 1 808 . 1 1 62 62 GLN C C 13 179.156 0.300 . 1 . . . . 62 GLN C . 17312 1 809 . 1 1 62 62 GLN CA C 13 59.076 0.300 . 1 . . . . 62 GLN CA . 17312 1 810 . 1 1 62 62 GLN CB C 13 27.665 0.300 . 1 . . . . 62 GLN CB . 17312 1 811 . 1 1 62 62 GLN CG C 13 34.328 0.300 . 1 . . . . 62 GLN CG . 17312 1 812 . 1 1 62 62 GLN CD C 13 179.587 0.300 . 1 . . . . 62 GLN CD . 17312 1 813 . 1 1 62 62 GLN N N 15 116.785 0.300 . 1 . . . . 62 GLN N . 17312 1 814 . 1 1 62 62 GLN NE2 N 15 110.292 0.300 . 1 . . . . 62 GLN NE2 . 17312 1 815 . 1 1 63 63 GLN H H 1 7.867 0.020 . 1 . . . . 63 GLN H . 17312 1 816 . 1 1 63 63 GLN HA H 1 3.670 0.020 . 1 . . . . 63 GLN HA . 17312 1 817 . 1 1 63 63 GLN HB2 H 1 1.932 0.020 . 2 . . . . 63 GLN HB2 . 17312 1 818 . 1 1 63 63 GLN HB3 H 1 1.918 0.020 . 2 . . . . 63 GLN HB3 . 17312 1 819 . 1 1 63 63 GLN HG2 H 1 2.385 0.020 . 2 . . . . 63 GLN HG2 . 17312 1 820 . 1 1 63 63 GLN HG3 H 1 2.288 0.020 . 2 . . . . 63 GLN HG3 . 17312 1 821 . 1 1 63 63 GLN HE21 H 1 7.231 0.020 . 2 . . . . 63 GLN HE21 . 17312 1 822 . 1 1 63 63 GLN HE22 H 1 6.837 0.020 . 2 . . . . 63 GLN HE22 . 17312 1 823 . 1 1 63 63 GLN C C 13 177.687 0.300 . 1 . . . . 63 GLN C . 17312 1 824 . 1 1 63 63 GLN CA C 13 58.626 0.300 . 1 . . . . 63 GLN CA . 17312 1 825 . 1 1 63 63 GLN CB C 13 27.577 0.300 . 1 . . . . 63 GLN CB . 17312 1 826 . 1 1 63 63 GLN CG C 13 34.128 0.300 . 1 . . . . 63 GLN CG . 17312 1 827 . 1 1 63 63 GLN CD C 13 179.494 0.300 . 1 . . . . 63 GLN CD . 17312 1 828 . 1 1 63 63 GLN N N 15 117.337 0.300 . 1 . . . . 63 GLN N . 17312 1 829 . 1 1 63 63 GLN NE2 N 15 111.304 0.300 . 1 . . . . 63 GLN NE2 . 17312 1 830 . 1 1 64 64 GLY H H 1 8.208 0.020 . 1 . . . . 64 GLY H . 17312 1 831 . 1 1 64 64 GLY HA2 H 1 3.300 0.020 . 2 . . . . 64 GLY HA2 . 17312 1 832 . 1 1 64 64 GLY HA3 H 1 3.221 0.020 . 2 . . . . 64 GLY HA3 . 17312 1 833 . 1 1 64 64 GLY C C 13 175.420 0.300 . 1 . . . . 64 GLY C . 17312 1 834 . 1 1 64 64 GLY CA C 13 47.792 0.300 . 1 . . . . 64 GLY CA . 17312 1 835 . 1 1 64 64 GLY N N 15 104.595 0.300 . 1 . . . . 64 GLY N . 17312 1 836 . 1 1 65 65 LEU H H 1 8.021 0.020 . 1 . . . . 65 LEU H . 17312 1 837 . 1 1 65 65 LEU HA H 1 4.068 0.020 . 1 . . . . 65 LEU HA . 17312 1 838 . 1 1 65 65 LEU HB2 H 1 1.724 0.020 . 2 . . . . 65 LEU HB2 . 17312 1 839 . 1 1 65 65 LEU HB3 H 1 1.299 0.020 . 2 . . . . 65 LEU HB3 . 17312 1 840 . 1 1 65 65 LEU HG H 1 1.676 0.020 . 1 . . . . 65 LEU HG . 17312 1 841 . 1 1 65 65 LEU HD11 H 1 0.652 0.020 . 1 . . . . 65 LEU QD1 . 17312 1 842 . 1 1 65 65 LEU HD12 H 1 0.652 0.020 . 1 . . . . 65 LEU QD1 . 17312 1 843 . 1 1 65 65 LEU HD13 H 1 0.652 0.020 . 1 . . . . 65 LEU QD1 . 17312 1 844 . 1 1 65 65 LEU HD21 H 1 0.940 0.020 . 1 . . . . 65 LEU QD2 . 17312 1 845 . 1 1 65 65 LEU HD22 H 1 0.940 0.020 . 1 . . . . 65 LEU QD2 . 17312 1 846 . 1 1 65 65 LEU HD23 H 1 0.940 0.020 . 1 . . . . 65 LEU QD2 . 17312 1 847 . 1 1 65 65 LEU C C 13 179.476 0.300 . 1 . . . . 65 LEU C . 17312 1 848 . 1 1 65 65 LEU CA C 13 56.789 0.300 . 1 . . . . 65 LEU CA . 17312 1 849 . 1 1 65 65 LEU CB C 13 42.001 0.300 . 1 . . . . 65 LEU CB . 17312 1 850 . 1 1 65 65 LEU CG C 13 28.305 0.300 . 1 . . . . 65 LEU CG . 17312 1 851 . 1 1 65 65 LEU CD1 C 13 25.421 0.300 . 2 . . . . 65 LEU CD1 . 17312 1 852 . 1 1 65 65 LEU CD2 C 13 24.990 0.300 . 2 . . . . 65 LEU CD2 . 17312 1 853 . 1 1 65 65 LEU N N 15 119.041 0.300 . 1 . . . . 65 LEU N . 17312 1 854 . 1 1 66 66 ARG H H 1 7.091 0.020 . 1 . . . . 66 ARG H . 17312 1 855 . 1 1 66 66 ARG HA H 1 3.791 0.020 . 1 . . . . 66 ARG HA . 17312 1 856 . 1 1 66 66 ARG HB2 H 1 1.188 0.020 . 2 . . . . 66 ARG HB2 . 17312 1 857 . 1 1 66 66 ARG HB3 H 1 0.999 0.020 . 2 . . . . 66 ARG HB3 . 17312 1 858 . 1 1 66 66 ARG HG2 H 1 1.580 0.020 . 2 . . . . 66 ARG HG2 . 17312 1 859 . 1 1 66 66 ARG HG3 H 1 1.260 0.020 . 2 . . . . 66 ARG HG3 . 17312 1 860 . 1 1 66 66 ARG HD2 H 1 2.899 0.020 . 2 . . . . 66 ARG HD2 . 17312 1 861 . 1 1 66 66 ARG HD3 H 1 2.758 0.020 . 2 . . . . 66 ARG HD3 . 17312 1 862 . 1 1 66 66 ARG C C 13 177.555 0.300 . 1 . . . . 66 ARG C . 17312 1 863 . 1 1 66 66 ARG CA C 13 58.313 0.300 . 1 . . . . 66 ARG CA . 17312 1 864 . 1 1 66 66 ARG CB C 13 29.392 0.300 . 1 . . . . 66 ARG CB . 17312 1 865 . 1 1 66 66 ARG CG C 13 26.816 0.300 . 1 . . . . 66 ARG CG . 17312 1 866 . 1 1 66 66 ARG CD C 13 43.176 0.300 . 1 . . . . 66 ARG CD . 17312 1 867 . 1 1 66 66 ARG N N 15 118.434 0.300 . 1 . . . . 66 ARG N . 17312 1 868 . 1 1 67 67 TYR H H 1 7.219 0.020 . 1 . . . . 67 TYR H . 17312 1 869 . 1 1 67 67 TYR HA H 1 4.855 0.020 . 1 . . . . 67 TYR HA . 17312 1 870 . 1 1 67 67 TYR HB2 H 1 3.601 0.020 . 2 . . . . 67 TYR HB2 . 17312 1 871 . 1 1 67 67 TYR HB3 H 1 2.268 0.020 . 2 . . . . 67 TYR HB3 . 17312 1 872 . 1 1 67 67 TYR HD1 H 1 6.837 0.020 . 3 . . . . 67 TYR QD . 17312 1 873 . 1 1 67 67 TYR HD2 H 1 6.837 0.020 . 3 . . . . 67 TYR QD . 17312 1 874 . 1 1 67 67 TYR HE1 H 1 6.531 0.020 . 3 . . . . 67 TYR QE . 17312 1 875 . 1 1 67 67 TYR HE2 H 1 6.531 0.020 . 3 . . . . 67 TYR QE . 17312 1 876 . 1 1 67 67 TYR C C 13 175.635 0.300 . 1 . . . . 67 TYR C . 17312 1 877 . 1 1 67 67 TYR CA C 13 57.187 0.300 . 1 . . . . 67 TYR CA . 17312 1 878 . 1 1 67 67 TYR CB C 13 39.373 0.300 . 1 . . . . 67 TYR CB . 17312 1 879 . 1 1 67 67 TYR CG C 13 129.450 0.300 . 1 . . . . 67 TYR CG . 17312 1 880 . 1 1 67 67 TYR CD1 C 13 132.520 0.300 . 3 . . . . 67 TYR CD1 . 17312 1 881 . 1 1 67 67 TYR CD2 C 13 132.434 0.300 . 3 . . . . 67 TYR CD2 . 17312 1 882 . 1 1 67 67 TYR CE1 C 13 118.729 0.300 . 3 . . . . 67 TYR CE1 . 17312 1 883 . 1 1 67 67 TYR CE2 C 13 118.591 0.300 . 3 . . . . 67 TYR CE2 . 17312 1 884 . 1 1 67 67 TYR CZ C 13 158.050 0.300 . 1 . . . . 67 TYR CZ . 17312 1 885 . 1 1 67 67 TYR N N 15 116.565 0.300 . 1 . . . . 67 TYR N . 17312 1 886 . 1 1 68 68 THR H H 1 7.163 0.020 . 1 . . . . 68 THR H . 17312 1 887 . 1 1 68 68 THR HA H 1 4.555 0.020 . 1 . . . . 68 THR HA . 17312 1 888 . 1 1 68 68 THR HB H 1 4.531 0.020 . 1 . . . . 68 THR HB . 17312 1 889 . 1 1 68 68 THR HG21 H 1 0.985 0.020 . 1 . . . . 68 THR QG2 . 17312 1 890 . 1 1 68 68 THR HG22 H 1 0.985 0.020 . 1 . . . . 68 THR QG2 . 17312 1 891 . 1 1 68 68 THR HG23 H 1 0.985 0.020 . 1 . . . . 68 THR QG2 . 17312 1 892 . 1 1 68 68 THR CA C 13 59.995 0.300 . 1 . . . . 68 THR CA . 17312 1 893 . 1 1 68 68 THR CB C 13 69.590 0.300 . 1 . . . . 68 THR CB . 17312 1 894 . 1 1 68 68 THR CG2 C 13 21.990 0.300 . 1 . . . . 68 THR CG2 . 17312 1 895 . 1 1 68 68 THR N N 15 106.405 0.300 . 1 . . . . 68 THR N . 17312 1 896 . 1 1 69 69 SER HA H 1 4.466 0.020 . 1 . . . . 69 SER HA . 17312 1 897 . 1 1 69 69 SER HB2 H 1 4.013 0.020 . 2 . . . . 69 SER HB2 . 17312 1 898 . 1 1 69 69 SER HB3 H 1 3.879 0.020 . 2 . . . . 69 SER HB3 . 17312 1 899 . 1 1 69 69 SER C C 13 174.525 0.300 . 1 . . . . 69 SER C . 17312 1 900 . 1 1 69 69 SER CA C 13 59.428 0.300 . 1 . . . . 69 SER CA . 17312 1 901 . 1 1 69 69 SER CB C 13 63.937 0.300 . 1 . . . . 69 SER CB . 17312 1 902 . 1 1 70 70 THR H H 1 7.954 0.020 . 1 . . . . 70 THR H . 17312 1 903 . 1 1 70 70 THR HA H 1 4.477 0.020 . 1 . . . . 70 THR HA . 17312 1 904 . 1 1 70 70 THR HB H 1 4.470 0.020 . 1 . . . . 70 THR HB . 17312 1 905 . 1 1 70 70 THR HG21 H 1 1.212 0.020 . 1 . . . . 70 THR QG2 . 17312 1 906 . 1 1 70 70 THR HG22 H 1 1.212 0.020 . 1 . . . . 70 THR QG2 . 17312 1 907 . 1 1 70 70 THR HG23 H 1 1.212 0.020 . 1 . . . . 70 THR QG2 . 17312 1 908 . 1 1 70 70 THR CA C 13 61.211 0.300 . 1 . . . . 70 THR CA . 17312 1 909 . 1 1 70 70 THR CB C 13 70.262 0.300 . 1 . . . . 70 THR CB . 17312 1 910 . 1 1 70 70 THR CG2 C 13 21.966 0.300 . 1 . . . . 70 THR CG2 . 17312 1 911 . 1 1 70 70 THR N N 15 111.406 0.300 . 1 . . . . 70 THR N . 17312 1 912 . 1 1 71 71 ALA HA H 1 4.162 0.020 . 1 . . . . 71 ALA HA . 17312 1 913 . 1 1 71 71 ALA HB1 H 1 1.374 0.020 . 1 . . . . 71 ALA QB . 17312 1 914 . 1 1 71 71 ALA HB2 H 1 1.374 0.020 . 1 . . . . 71 ALA QB . 17312 1 915 . 1 1 71 71 ALA HB3 H 1 1.374 0.020 . 1 . . . . 71 ALA QB . 17312 1 916 . 1 1 71 71 ALA C C 13 178.995 0.300 . 1 . . . . 71 ALA C . 17312 1 917 . 1 1 71 71 ALA CA C 13 54.373 0.300 . 1 . . . . 71 ALA CA . 17312 1 918 . 1 1 71 71 ALA CB C 13 19.072 0.300 . 1 . . . . 71 ALA CB . 17312 1 919 . 1 1 72 72 GLU H H 1 8.324 0.020 . 1 . . . . 72 GLU H . 17312 1 920 . 1 1 72 72 GLU HA H 1 4.119 0.020 . 1 . . . . 72 GLU HA . 17312 1 921 . 1 1 72 72 GLU HB2 H 1 1.696 0.020 . 2 . . . . 72 GLU HB2 . 17312 1 922 . 1 1 72 72 GLU HB3 H 1 1.634 0.020 . 2 . . . . 72 GLU HB3 . 17312 1 923 . 1 1 72 72 GLU HG2 H 1 1.848 0.020 . 2 . . . . 72 GLU HG2 . 17312 1 924 . 1 1 72 72 GLU HG3 H 1 1.771 0.020 . 2 . . . . 72 GLU HG3 . 17312 1 925 . 1 1 72 72 GLU C C 13 176.736 0.300 . 1 . . . . 72 GLU C . 17312 1 926 . 1 1 72 72 GLU CA C 13 57.758 0.300 . 1 . . . . 72 GLU CA . 17312 1 927 . 1 1 72 72 GLU CB C 13 29.630 0.300 . 1 . . . . 72 GLU CB . 17312 1 928 . 1 1 72 72 GLU CG C 13 35.696 0.300 . 1 . . . . 72 GLU CG . 17312 1 929 . 1 1 72 72 GLU CD C 13 184.117 0.300 . 1 . . . . 72 GLU CD . 17312 1 930 . 1 1 72 72 GLU N N 15 117.465 0.300 . 1 . . . . 72 GLU N . 17312 1 931 . 1 1 73 73 HIS H H 1 7.674 0.020 . 1 . . . . 73 HIS H . 17312 1 932 . 1 1 73 73 HIS HA H 1 4.965 0.020 . 1 . . . . 73 HIS HA . 17312 1 933 . 1 1 73 73 HIS HB2 H 1 3.301 0.020 . 2 . . . . 73 HIS HB2 . 17312 1 934 . 1 1 73 73 HIS HB3 H 1 2.935 0.020 . 2 . . . . 73 HIS HB3 . 17312 1 935 . 1 1 73 73 HIS HD1 H 1 10.618 0.020 . 1 . . . . 73 HIS HD1 . 17312 1 936 . 1 1 73 73 HIS HD2 H 1 6.941 0.020 . 1 . . . . 73 HIS HD2 . 17312 1 937 . 1 1 73 73 HIS HE1 H 1 7.688 0.020 . 1 . . . . 73 HIS HE1 . 17312 1 938 . 1 1 73 73 HIS C C 13 175.491 0.300 . 1 . . . . 73 HIS C . 17312 1 939 . 1 1 73 73 HIS CA C 13 55.709 0.300 . 1 . . . . 73 HIS CA . 17312 1 940 . 1 1 73 73 HIS CB C 13 31.628 0.300 . 1 . . . . 73 HIS CB . 17312 1 941 . 1 1 73 73 HIS CG C 13 135.190 0.300 . 1 . . . . 73 HIS CG . 17312 1 942 . 1 1 73 73 HIS CD2 C 13 119.662 0.300 . 1 . . . . 73 HIS CD2 . 17312 1 943 . 1 1 73 73 HIS CE1 C 13 138.657 0.300 . 1 . . . . 73 HIS CE1 . 17312 1 944 . 1 1 73 73 HIS N N 15 116.692 0.300 . 1 . . . . 73 HIS N . 17312 1 945 . 1 1 74 74 VAL H H 1 7.334 0.020 . 1 . . . . 74 VAL H . 17312 1 946 . 1 1 74 74 VAL HA H 1 3.622 0.020 . 1 . . . . 74 VAL HA . 17312 1 947 . 1 1 74 74 VAL HB H 1 2.056 0.020 . 1 . . . . 74 VAL HB . 17312 1 948 . 1 1 74 74 VAL HG11 H 1 1.024 0.020 . 1 . . . . 74 VAL QG1 . 17312 1 949 . 1 1 74 74 VAL HG12 H 1 1.024 0.020 . 1 . . . . 74 VAL QG1 . 17312 1 950 . 1 1 74 74 VAL HG13 H 1 1.024 0.020 . 1 . . . . 74 VAL QG1 . 17312 1 951 . 1 1 74 74 VAL HG21 H 1 0.957 0.020 . 1 . . . . 74 VAL QG2 . 17312 1 952 . 1 1 74 74 VAL HG22 H 1 0.957 0.020 . 1 . . . . 74 VAL QG2 . 17312 1 953 . 1 1 74 74 VAL HG23 H 1 0.957 0.020 . 1 . . . . 74 VAL QG2 . 17312 1 954 . 1 1 74 74 VAL C C 13 177.626 0.300 . 1 . . . . 74 VAL C . 17312 1 955 . 1 1 74 74 VAL CA C 13 66.748 0.300 . 1 . . . . 74 VAL CA . 17312 1 956 . 1 1 74 74 VAL CB C 13 31.874 0.300 . 1 . . . . 74 VAL CB . 17312 1 957 . 1 1 74 74 VAL CG1 C 13 22.206 0.300 . 2 . . . . 74 VAL CG1 . 17312 1 958 . 1 1 74 74 VAL CG2 C 13 20.652 0.300 . 2 . . . . 74 VAL CG2 . 17312 1 959 . 1 1 74 74 VAL N N 15 119.451 0.300 . 1 . . . . 74 VAL N . 17312 1 960 . 1 1 75 75 ALA H H 1 8.571 0.020 . 1 . . . . 75 ALA H . 17312 1 961 . 1 1 75 75 ALA HA H 1 4.207 0.020 . 1 . . . . 75 ALA HA . 17312 1 962 . 1 1 75 75 ALA HB1 H 1 1.404 0.020 . 1 . . . . 75 ALA QB . 17312 1 963 . 1 1 75 75 ALA HB2 H 1 1.404 0.020 . 1 . . . . 75 ALA QB . 17312 1 964 . 1 1 75 75 ALA HB3 H 1 1.404 0.020 . 1 . . . . 75 ALA QB . 17312 1 965 . 1 1 75 75 ALA C C 13 181.041 0.300 . 1 . . . . 75 ALA C . 17312 1 966 . 1 1 75 75 ALA CA C 13 55.512 0.300 . 1 . . . . 75 ALA CA . 17312 1 967 . 1 1 75 75 ALA CB C 13 17.816 0.300 . 1 . . . . 75 ALA CB . 17312 1 968 . 1 1 75 75 ALA N N 15 123.247 0.300 . 1 . . . . 75 ALA N . 17312 1 969 . 1 1 76 76 ILE H H 1 8.097 0.020 . 1 . . . . 76 ILE H . 17312 1 970 . 1 1 76 76 ILE HA H 1 3.898 0.020 . 1 . . . . 76 ILE HA . 17312 1 971 . 1 1 76 76 ILE HB H 1 1.893 0.020 . 1 . . . . 76 ILE HB . 17312 1 972 . 1 1 76 76 ILE HG12 H 1 1.502 0.020 . 2 . . . . 76 ILE HG12 . 17312 1 973 . 1 1 76 76 ILE HG13 H 1 1.306 0.020 . 2 . . . . 76 ILE HG13 . 17312 1 974 . 1 1 76 76 ILE HG21 H 1 0.929 0.020 . 1 . . . . 76 ILE QG2 . 17312 1 975 . 1 1 76 76 ILE HG22 H 1 0.929 0.020 . 1 . . . . 76 ILE QG2 . 17312 1 976 . 1 1 76 76 ILE HG23 H 1 0.929 0.020 . 1 . . . . 76 ILE QG2 . 17312 1 977 . 1 1 76 76 ILE HD11 H 1 0.767 0.020 . 1 . . . . 76 ILE QD1 . 17312 1 978 . 1 1 76 76 ILE HD12 H 1 0.767 0.020 . 1 . . . . 76 ILE QD1 . 17312 1 979 . 1 1 76 76 ILE HD13 H 1 0.767 0.020 . 1 . . . . 76 ILE QD1 . 17312 1 980 . 1 1 76 76 ILE C C 13 177.501 0.300 . 1 . . . . 76 ILE C . 17312 1 981 . 1 1 76 76 ILE CA C 13 63.166 0.300 . 1 . . . . 76 ILE CA . 17312 1 982 . 1 1 76 76 ILE CB C 13 37.500 0.300 . 1 . . . . 76 ILE CB . 17312 1 983 . 1 1 76 76 ILE CG1 C 13 29.456 0.300 . 1 . . . . 76 ILE CG1 . 17312 1 984 . 1 1 76 76 ILE CG2 C 13 18.324 0.300 . 1 . . . . 76 ILE CG2 . 17312 1 985 . 1 1 76 76 ILE CD1 C 13 12.909 0.300 . 1 . . . . 76 ILE CD1 . 17312 1 986 . 1 1 76 76 ILE N N 15 119.817 0.300 . 1 . . . . 76 ILE N . 17312 1 987 . 1 1 77 77 ARG H H 1 8.769 0.020 . 1 . . . . 77 ARG H . 17312 1 988 . 1 1 77 77 ARG HA H 1 3.874 0.020 . 1 . . . . 77 ARG HA . 17312 1 989 . 1 1 77 77 ARG HB2 H 1 2.093 0.020 . 2 . . . . 77 ARG HB2 . 17312 1 990 . 1 1 77 77 ARG HB3 H 1 1.940 0.020 . 2 . . . . 77 ARG HB3 . 17312 1 991 . 1 1 77 77 ARG HG2 H 1 1.648 0.020 . 2 . . . . 77 ARG HG2 . 17312 1 992 . 1 1 77 77 ARG HG3 H 1 1.452 0.020 . 2 . . . . 77 ARG HG3 . 17312 1 993 . 1 1 77 77 ARG HD2 H 1 3.122 0.020 . 2 . . . . 77 ARG HD2 . 17312 1 994 . 1 1 77 77 ARG HD3 H 1 3.116 0.020 . 2 . . . . 77 ARG HD3 . 17312 1 995 . 1 1 77 77 ARG C C 13 177.946 0.300 . 1 . . . . 77 ARG C . 17312 1 996 . 1 1 77 77 ARG CA C 13 60.030 0.300 . 1 . . . . 77 ARG CA . 17312 1 997 . 1 1 77 77 ARG CB C 13 30.204 0.300 . 1 . . . . 77 ARG CB . 17312 1 998 . 1 1 77 77 ARG CG C 13 27.020 0.300 . 1 . . . . 77 ARG CG . 17312 1 999 . 1 1 77 77 ARG CD C 13 43.839 0.300 . 1 . . . . 77 ARG CD . 17312 1 1000 . 1 1 77 77 ARG N N 15 123.707 0.300 . 1 . . . . 77 ARG N . 17312 1 1001 . 1 1 78 78 SER H H 1 7.826 0.020 . 1 . . . . 78 SER H . 17312 1 1002 . 1 1 78 78 SER HA H 1 4.269 0.020 . 1 . . . . 78 SER HA . 17312 1 1003 . 1 1 78 78 SER HB2 H 1 3.998 0.020 . 2 . . . . 78 SER HB2 . 17312 1 1004 . 1 1 78 78 SER HB3 H 1 3.917 0.020 . 2 . . . . 78 SER HB3 . 17312 1 1005 . 1 1 78 78 SER C C 13 177.483 0.300 . 1 . . . . 78 SER C . 17312 1 1006 . 1 1 78 78 SER CA C 13 61.802 0.300 . 1 . . . . 78 SER CA . 17312 1 1007 . 1 1 78 78 SER CB C 13 62.458 0.300 . 1 . . . . 78 SER CB . 17312 1 1008 . 1 1 78 78 SER N N 15 113.043 0.300 . 1 . . . . 78 SER N . 17312 1 1009 . 1 1 79 79 LYS H H 1 7.463 0.020 . 1 . . . . 79 LYS H . 17312 1 1010 . 1 1 79 79 LYS HA H 1 4.295 0.020 . 1 . . . . 79 LYS HA . 17312 1 1011 . 1 1 79 79 LYS HB2 H 1 2.034 0.020 . 2 . . . . 79 LYS HB2 . 17312 1 1012 . 1 1 79 79 LYS HB3 H 1 1.403 0.020 . 2 . . . . 79 LYS HB3 . 17312 1 1013 . 1 1 79 79 LYS HG2 H 1 1.276 0.020 . 2 . . . . 79 LYS HG2 . 17312 1 1014 . 1 1 79 79 LYS HG3 H 1 1.196 0.020 . 2 . . . . 79 LYS HG3 . 17312 1 1015 . 1 1 79 79 LYS HD2 H 1 1.676 0.020 . 2 . . . . 79 LYS HD2 . 17312 1 1016 . 1 1 79 79 LYS HD3 H 1 1.484 0.020 . 2 . . . . 79 LYS HD3 . 17312 1 1017 . 1 1 79 79 LYS HE2 H 1 2.838 0.020 . 2 . . . . 79 LYS HE2 . 17312 1 1018 . 1 1 79 79 LYS HE3 H 1 2.648 0.020 . 2 . . . . 79 LYS HE3 . 17312 1 1019 . 1 1 79 79 LYS HZ1 H 1 7.036 0.020 . 1 . . . . 79 LYS QZ . 17312 1 1020 . 1 1 79 79 LYS HZ2 H 1 7.036 0.020 . 1 . . . . 79 LYS QZ . 17312 1 1021 . 1 1 79 79 LYS HZ3 H 1 7.036 0.020 . 1 . . . . 79 LYS QZ . 17312 1 1022 . 1 1 79 79 LYS C C 13 179.102 0.300 . 1 . . . . 79 LYS C . 17312 1 1023 . 1 1 79 79 LYS CA C 13 60.450 0.300 . 1 . . . . 79 LYS CA . 17312 1 1024 . 1 1 79 79 LYS CB C 13 33.081 0.300 . 1 . . . . 79 LYS CB . 17312 1 1025 . 1 1 79 79 LYS CG C 13 26.469 0.300 . 1 . . . . 79 LYS CG . 17312 1 1026 . 1 1 79 79 LYS CD C 13 30.379 0.300 . 1 . . . . 79 LYS CD . 17312 1 1027 . 1 1 79 79 LYS CE C 13 41.776 0.300 . 1 . . . . 79 LYS CE . 17312 1 1028 . 1 1 79 79 LYS N N 15 122.342 0.300 . 1 . . . . 79 LYS N . 17312 1 1029 . 1 1 80 80 LEU H H 1 8.713 0.020 . 1 . . . . 80 LEU H . 17312 1 1030 . 1 1 80 80 LEU HA H 1 3.828 0.020 . 1 . . . . 80 LEU HA . 17312 1 1031 . 1 1 80 80 LEU HB2 H 1 2.228 0.020 . 2 . . . . 80 LEU HB2 . 17312 1 1032 . 1 1 80 80 LEU HB3 H 1 1.200 0.020 . 2 . . . . 80 LEU HB3 . 17312 1 1033 . 1 1 80 80 LEU HG H 1 1.728 0.020 . 1 . . . . 80 LEU HG . 17312 1 1034 . 1 1 80 80 LEU HD11 H 1 0.716 0.020 . 1 . . . . 80 LEU QD1 . 17312 1 1035 . 1 1 80 80 LEU HD12 H 1 0.716 0.020 . 1 . . . . 80 LEU QD1 . 17312 1 1036 . 1 1 80 80 LEU HD13 H 1 0.716 0.020 . 1 . . . . 80 LEU QD1 . 17312 1 1037 . 1 1 80 80 LEU HD21 H 1 1.005 0.020 . 1 . . . . 80 LEU QD2 . 17312 1 1038 . 1 1 80 80 LEU HD22 H 1 1.005 0.020 . 1 . . . . 80 LEU QD2 . 17312 1 1039 . 1 1 80 80 LEU HD23 H 1 1.005 0.020 . 1 . . . . 80 LEU QD2 . 17312 1 1040 . 1 1 80 80 LEU C C 13 178.693 0.300 . 1 . . . . 80 LEU C . 17312 1 1041 . 1 1 80 80 LEU CA C 13 59.006 0.300 . 1 . . . . 80 LEU CA . 17312 1 1042 . 1 1 80 80 LEU CB C 13 42.697 0.300 . 1 . . . . 80 LEU CB . 17312 1 1043 . 1 1 80 80 LEU CG C 13 27.936 0.300 . 1 . . . . 80 LEU CG . 17312 1 1044 . 1 1 80 80 LEU CD1 C 13 26.908 0.300 . 2 . . . . 80 LEU CD1 . 17312 1 1045 . 1 1 80 80 LEU CD2 C 13 25.179 0.300 . 2 . . . . 80 LEU CD2 . 17312 1 1046 . 1 1 80 80 LEU N N 15 121.396 0.300 . 1 . . . . 80 LEU N . 17312 1 1047 . 1 1 81 81 GLN H H 1 8.519 0.020 . 1 . . . . 81 GLN H . 17312 1 1048 . 1 1 81 81 GLN HA H 1 3.876 0.020 . 1 . . . . 81 GLN HA . 17312 1 1049 . 1 1 81 81 GLN HB2 H 1 2.245 0.020 . 2 . . . . 81 GLN HB2 . 17312 1 1050 . 1 1 81 81 GLN HB3 H 1 2.004 0.020 . 2 . . . . 81 GLN HB3 . 17312 1 1051 . 1 1 81 81 GLN HG2 H 1 2.512 0.020 . 2 . . . . 81 GLN HG2 . 17312 1 1052 . 1 1 81 81 GLN HG3 H 1 2.376 0.020 . 2 . . . . 81 GLN HG3 . 17312 1 1053 . 1 1 81 81 GLN HE21 H 1 7.797 0.020 . 2 . . . . 81 GLN HE21 . 17312 1 1054 . 1 1 81 81 GLN HE22 H 1 6.606 0.020 . 2 . . . . 81 GLN HE22 . 17312 1 1055 . 1 1 81 81 GLN C C 13 177.875 0.300 . 1 . . . . 81 GLN C . 17312 1 1056 . 1 1 81 81 GLN CA C 13 58.920 0.300 . 1 . . . . 81 GLN CA . 17312 1 1057 . 1 1 81 81 GLN CB C 13 28.496 0.300 . 1 . . . . 81 GLN CB . 17312 1 1058 . 1 1 81 81 GLN CG C 13 33.817 0.300 . 1 . . . . 81 GLN CG . 17312 1 1059 . 1 1 81 81 GLN CD C 13 180.512 0.300 . 1 . . . . 81 GLN CD . 17312 1 1060 . 1 1 81 81 GLN N N 15 118.209 0.300 . 1 . . . . 81 GLN N . 17312 1 1061 . 1 1 81 81 GLN NE2 N 15 111.845 0.300 . 1 . . . . 81 GLN NE2 . 17312 1 1062 . 1 1 82 82 TYR H H 1 7.950 0.020 . 1 . . . . 82 TYR H . 17312 1 1063 . 1 1 82 82 TYR HA H 1 4.176 0.030 . 1 . . . . 82 TYR HA . 17312 1 1064 . 1 1 82 82 TYR HB2 H 1 3.270 0.020 . 2 . . . . 82 TYR HB2 . 17312 1 1065 . 1 1 82 82 TYR HB3 H 1 3.212 0.020 . 2 . . . . 82 TYR HB3 . 17312 1 1066 . 1 1 82 82 TYR HD1 H 1 6.986 0.020 . 3 . . . . 82 TYR QD . 17312 1 1067 . 1 1 82 82 TYR HD2 H 1 6.986 0.020 . 3 . . . . 82 TYR QD . 17312 1 1068 . 1 1 82 82 TYR HE1 H 1 6.697 0.020 . 3 . . . . 82 TYR QE . 17312 1 1069 . 1 1 82 82 TYR HE2 H 1 6.697 0.020 . 3 . . . . 82 TYR QE . 17312 1 1070 . 1 1 82 82 TYR C C 13 178.426 0.300 . 1 . . . . 82 TYR C . 17312 1 1071 . 1 1 82 82 TYR CA C 13 61.132 0.300 . 1 . . . . 82 TYR CA . 17312 1 1072 . 1 1 82 82 TYR CB C 13 39.197 0.300 . 1 . . . . 82 TYR CB . 17312 1 1073 . 1 1 82 82 TYR CG C 13 130.399 0.300 . 1 . . . . 82 TYR CG . 17312 1 1074 . 1 1 82 82 TYR CD1 C 13 133.618 0.300 . 3 . . . . 82 TYR CD1 . 17312 1 1075 . 1 1 82 82 TYR CD2 C 13 133.502 0.300 . 3 . . . . 82 TYR CD2 . 17312 1 1076 . 1 1 82 82 TYR CE1 C 13 118.055 0.300 . 3 . . . . 82 TYR CE1 . 17312 1 1077 . 1 1 82 82 TYR CE2 C 13 117.978 0.300 . 3 . . . . 82 TYR CE2 . 17312 1 1078 . 1 1 82 82 TYR CZ C 13 157.565 0.300 . 1 . . . . 82 TYR CZ . 17312 1 1079 . 1 1 82 82 TYR N N 15 120.408 0.300 . 1 . . . . 82 TYR N . 17312 1 1080 . 1 1 83 83 ARG H H 1 8.687 0.020 . 1 . . . . 83 ARG H . 17312 1 1081 . 1 1 83 83 ARG HA H 1 3.683 0.020 . 1 . . . . 83 ARG HA . 17312 1 1082 . 1 1 83 83 ARG HB2 H 1 2.162 0.020 . 2 . . . . 83 ARG HB2 . 17312 1 1083 . 1 1 83 83 ARG HB3 H 1 1.957 0.020 . 2 . . . . 83 ARG HB3 . 17312 1 1084 . 1 1 83 83 ARG HG2 H 1 1.812 0.020 . 2 . . . . 83 ARG HG2 . 17312 1 1085 . 1 1 83 83 ARG HG3 H 1 1.640 0.020 . 2 . . . . 83 ARG HG3 . 17312 1 1086 . 1 1 83 83 ARG HD2 H 1 2.915 0.020 . 2 . . . . 83 ARG HD2 . 17312 1 1087 . 1 1 83 83 ARG HD3 H 1 2.854 0.020 . 2 . . . . 83 ARG HD3 . 17312 1 1088 . 1 1 83 83 ARG C C 13 175.971 0.300 . 1 . . . . 83 ARG C . 17312 1 1089 . 1 1 83 83 ARG CA C 13 58.872 0.300 . 1 . . . . 83 ARG CA . 17312 1 1090 . 1 1 83 83 ARG CB C 13 30.690 0.300 . 1 . . . . 83 ARG CB . 17312 1 1091 . 1 1 83 83 ARG CG C 13 29.838 0.300 . 1 . . . . 83 ARG CG . 17312 1 1092 . 1 1 83 83 ARG CD C 13 43.580 0.300 . 1 . . . . 83 ARG CD . 17312 1 1093 . 1 1 83 83 ARG N N 15 120.197 0.300 . 1 . . . . 83 ARG N . 17312 1 1094 . 1 1 84 84 LEU H H 1 8.396 0.020 . 1 . . . . 84 LEU H . 17312 1 1095 . 1 1 84 84 LEU HA H 1 3.889 0.020 . 1 . . . . 84 LEU HA . 17312 1 1096 . 1 1 84 84 LEU HB2 H 1 2.068 0.020 . 2 . . . . 84 LEU HB2 . 17312 1 1097 . 1 1 84 84 LEU HB3 H 1 1.336 0.020 . 2 . . . . 84 LEU HB3 . 17312 1 1098 . 1 1 84 84 LEU HG H 1 1.439 0.020 . 1 . . . . 84 LEU HG . 17312 1 1099 . 1 1 84 84 LEU HD11 H 1 0.770 0.020 . 1 . . . . 84 LEU QD1 . 17312 1 1100 . 1 1 84 84 LEU HD12 H 1 0.770 0.020 . 1 . . . . 84 LEU QD1 . 17312 1 1101 . 1 1 84 84 LEU HD13 H 1 0.770 0.020 . 1 . . . . 84 LEU QD1 . 17312 1 1102 . 1 1 84 84 LEU HD21 H 1 0.923 0.020 . 1 . . . . 84 LEU QD2 . 17312 1 1103 . 1 1 84 84 LEU HD22 H 1 0.923 0.020 . 1 . . . . 84 LEU QD2 . 17312 1 1104 . 1 1 84 84 LEU HD23 H 1 0.923 0.020 . 1 . . . . 84 LEU QD2 . 17312 1 1105 . 1 1 84 84 LEU C C 13 177.999 0.300 . 1 . . . . 84 LEU C . 17312 1 1106 . 1 1 84 84 LEU CA C 13 58.568 0.300 . 1 . . . . 84 LEU CA . 17312 1 1107 . 1 1 84 84 LEU CB C 13 42.067 0.300 . 1 . . . . 84 LEU CB . 17312 1 1108 . 1 1 84 84 LEU CG C 13 27.211 0.300 . 1 . . . . 84 LEU CG . 17312 1 1109 . 1 1 84 84 LEU CD1 C 13 26.252 0.300 . 2 . . . . 84 LEU CD1 . 17312 1 1110 . 1 1 84 84 LEU CD2 C 13 25.409 0.300 . 2 . . . . 84 LEU CD2 . 17312 1 1111 . 1 1 84 84 LEU N N 15 123.715 0.300 . 1 . . . . 84 LEU N . 17312 1 1112 . 1 1 85 85 GLU H H 1 7.716 0.020 . 1 . . . . 85 GLU H . 17312 1 1113 . 1 1 85 85 GLU HA H 1 3.891 0.020 . 1 . . . . 85 GLU HA . 17312 1 1114 . 1 1 85 85 GLU HB2 H 1 1.947 0.020 . 2 . . . . 85 GLU HB2 . 17312 1 1115 . 1 1 85 85 GLU HB3 H 1 1.897 0.020 . 2 . . . . 85 GLU HB3 . 17312 1 1116 . 1 1 85 85 GLU HG2 H 1 2.435 0.020 . 2 . . . . 85 GLU HG2 . 17312 1 1117 . 1 1 85 85 GLU HG3 H 1 2.397 0.020 . 2 . . . . 85 GLU HG3 . 17312 1 1118 . 1 1 85 85 GLU C C 13 180.081 0.300 . 1 . . . . 85 GLU C . 17312 1 1119 . 1 1 85 85 GLU CA C 13 59.325 0.300 . 1 . . . . 85 GLU CA . 17312 1 1120 . 1 1 85 85 GLU CB C 13 28.698 0.300 . 1 . . . . 85 GLU CB . 17312 1 1121 . 1 1 85 85 GLU CG C 13 34.324 0.300 . 1 . . . . 85 GLU CG . 17312 1 1122 . 1 1 85 85 GLU CD C 13 180.390 0.300 . 1 . . . . 85 GLU CD . 17312 1 1123 . 1 1 85 85 GLU N N 15 118.170 0.300 . 1 . . . . 85 GLU N . 17312 1 1124 . 1 1 86 86 LEU H H 1 8.120 0.020 . 1 . . . . 86 LEU H . 17312 1 1125 . 1 1 86 86 LEU HA H 1 3.783 0.020 . 1 . . . . 86 LEU HA . 17312 1 1126 . 1 1 86 86 LEU HB2 H 1 1.570 0.020 . 2 . . . . 86 LEU HB2 . 17312 1 1127 . 1 1 86 86 LEU HB3 H 1 1.357 0.020 . 2 . . . . 86 LEU HB3 . 17312 1 1128 . 1 1 86 86 LEU HG H 1 1.447 0.020 . 1 . . . . 86 LEU HG . 17312 1 1129 . 1 1 86 86 LEU HD11 H 1 0.799 0.020 . 1 . . . . 86 LEU QD1 . 17312 1 1130 . 1 1 86 86 LEU HD12 H 1 0.799 0.020 . 1 . . . . 86 LEU QD1 . 17312 1 1131 . 1 1 86 86 LEU HD13 H 1 0.799 0.020 . 1 . . . . 86 LEU QD1 . 17312 1 1132 . 1 1 86 86 LEU HD21 H 1 0.803 0.020 . 1 . . . . 86 LEU QD2 . 17312 1 1133 . 1 1 86 86 LEU HD22 H 1 0.803 0.020 . 1 . . . . 86 LEU QD2 . 17312 1 1134 . 1 1 86 86 LEU HD23 H 1 0.803 0.020 . 1 . . . . 86 LEU QD2 . 17312 1 1135 . 1 1 86 86 LEU C C 13 179.849 0.300 . 1 . . . . 86 LEU C . 17312 1 1136 . 1 1 86 86 LEU CA C 13 57.974 0.300 . 1 . . . . 86 LEU CA . 17312 1 1137 . 1 1 86 86 LEU CB C 13 42.860 0.300 . 1 . . . . 86 LEU CB . 17312 1 1138 . 1 1 86 86 LEU CG C 13 26.928 0.300 . 1 . . . . 86 LEU CG . 17312 1 1139 . 1 1 86 86 LEU CD1 C 13 25.420 0.300 . 2 . . . . 86 LEU CD1 . 17312 1 1140 . 1 1 86 86 LEU CD2 C 13 24.710 0.300 . 2 . . . . 86 LEU CD2 . 17312 1 1141 . 1 1 86 86 LEU N N 15 122.996 0.300 . 1 . . . . 86 LEU N . 17312 1 1142 . 1 1 87 87 ALA H H 1 8.408 0.020 . 1 . . . . 87 ALA H . 17312 1 1143 . 1 1 87 87 ALA HA H 1 3.849 0.020 . 1 . . . . 87 ALA HA . 17312 1 1144 . 1 1 87 87 ALA HB1 H 1 1.560 0.020 . 1 . . . . 87 ALA QB . 17312 1 1145 . 1 1 87 87 ALA HB2 H 1 1.560 0.020 . 1 . . . . 87 ALA QB . 17312 1 1146 . 1 1 87 87 ALA HB3 H 1 1.560 0.020 . 1 . . . . 87 ALA QB . 17312 1 1147 . 1 1 87 87 ALA C C 13 179.067 0.300 . 1 . . . . 87 ALA C . 17312 1 1148 . 1 1 87 87 ALA CA C 13 55.503 0.300 . 1 . . . . 87 ALA CA . 17312 1 1149 . 1 1 87 87 ALA CB C 13 19.148 0.300 . 1 . . . . 87 ALA CB . 17312 1 1150 . 1 1 87 87 ALA N N 15 122.174 0.300 . 1 . . . . 87 ALA N . 17312 1 1151 . 1 1 88 88 GLN H H 1 8.712 0.020 . 1 . . . . 88 GLN H . 17312 1 1152 . 1 1 88 88 GLN HA H 1 3.903 0.020 . 1 . . . . 88 GLN HA . 17312 1 1153 . 1 1 88 88 GLN HB2 H 1 2.133 0.020 . 2 . . . . 88 GLN HB2 . 17312 1 1154 . 1 1 88 88 GLN HB3 H 1 1.849 0.020 . 2 . . . . 88 GLN HB3 . 17312 1 1155 . 1 1 88 88 GLN HG2 H 1 2.550 0.020 . 2 . . . . 88 GLN HG2 . 17312 1 1156 . 1 1 88 88 GLN HG3 H 1 2.233 0.020 . 2 . . . . 88 GLN HG3 . 17312 1 1157 . 1 1 88 88 GLN HE21 H 1 7.116 0.020 . 2 . . . . 88 GLN HE21 . 17312 1 1158 . 1 1 88 88 GLN HE22 H 1 6.660 0.020 . 2 . . . . 88 GLN HE22 . 17312 1 1159 . 1 1 88 88 GLN C C 13 179.253 0.300 . 1 . . . . 88 GLN C . 17312 1 1160 . 1 1 88 88 GLN CA C 13 58.893 0.300 . 1 . . . . 88 GLN CA . 17312 1 1161 . 1 1 88 88 GLN CB C 13 28.423 0.300 . 1 . . . . 88 GLN CB . 17312 1 1162 . 1 1 88 88 GLN CG C 13 34.676 0.300 . 1 . . . . 88 GLN CG . 17312 1 1163 . 1 1 88 88 GLN CD C 13 180.377 0.300 . 1 . . . . 88 GLN CD . 17312 1 1164 . 1 1 88 88 GLN N N 15 115.885 0.300 . 1 . . . . 88 GLN N . 17312 1 1165 . 1 1 88 88 GLN NE2 N 15 110.146 0.300 . 1 . . . . 88 GLN NE2 . 17312 1 1166 . 1 1 89 89 GLY H H 1 7.940 0.020 . 1 . . . . 89 GLY H . 17312 1 1167 . 1 1 89 89 GLY HA2 H 1 3.803 0.020 . 2 . . . . 89 GLY HA2 . 17312 1 1168 . 1 1 89 89 GLY HA3 H 1 3.699 0.020 . 2 . . . . 89 GLY HA3 . 17312 1 1169 . 1 1 89 89 GLY C C 13 175.011 0.300 . 1 . . . . 89 GLY C . 17312 1 1170 . 1 1 89 89 GLY CA C 13 46.040 0.300 . 1 . . . . 89 GLY CA . 17312 1 1171 . 1 1 89 89 GLY N N 15 106.570 0.300 . 1 . . . . 89 GLY N . 17312 1 1172 . 1 1 90 90 ALA H H 1 7.312 0.020 . 1 . . . . 90 ALA H . 17312 1 1173 . 1 1 90 90 ALA HA H 1 3.889 0.020 . 1 . . . . 90 ALA HA . 17312 1 1174 . 1 1 90 90 ALA HB1 H 1 0.482 0.020 . 1 . . . . 90 ALA QB . 17312 1 1175 . 1 1 90 90 ALA HB2 H 1 0.482 0.020 . 1 . . . . 90 ALA QB . 17312 1 1176 . 1 1 90 90 ALA HB3 H 1 0.482 0.020 . 1 . . . . 90 ALA QB . 17312 1 1177 . 1 1 90 90 ALA C C 13 178.995 0.300 . 1 . . . . 90 ALA C . 17312 1 1178 . 1 1 90 90 ALA CA C 13 53.244 0.300 . 1 . . . . 90 ALA CA . 17312 1 1179 . 1 1 90 90 ALA CB C 13 17.196 0.300 . 1 . . . . 90 ALA CB . 17312 1 1180 . 1 1 90 90 ALA N N 15 122.911 0.300 . 1 . . . . 90 ALA N . 17312 1 1181 . 1 1 91 91 VAL H H 1 7.303 0.020 . 1 . . . . 91 VAL H . 17312 1 1182 . 1 1 91 91 VAL HA H 1 3.974 0.020 . 1 . . . . 91 VAL HA . 17312 1 1183 . 1 1 91 91 VAL HB H 1 2.089 0.020 . 1 . . . . 91 VAL HB . 17312 1 1184 . 1 1 91 91 VAL HG11 H 1 0.974 0.020 . 1 . . . . 91 VAL QG1 . 17312 1 1185 . 1 1 91 91 VAL HG12 H 1 0.974 0.020 . 1 . . . . 91 VAL QG1 . 17312 1 1186 . 1 1 91 91 VAL HG13 H 1 0.974 0.020 . 1 . . . . 91 VAL QG1 . 17312 1 1187 . 1 1 91 91 VAL HG21 H 1 0.909 0.020 . 1 . . . . 91 VAL QG2 . 17312 1 1188 . 1 1 91 91 VAL HG22 H 1 0.909 0.020 . 1 . . . . 91 VAL QG2 . 17312 1 1189 . 1 1 91 91 VAL HG23 H 1 0.909 0.020 . 1 . . . . 91 VAL QG2 . 17312 1 1190 . 1 1 91 91 VAL C C 13 176.746 0.300 . 1 . . . . 91 VAL C . 17312 1 1191 . 1 1 91 91 VAL CA C 13 63.374 0.300 . 1 . . . . 91 VAL CA . 17312 1 1192 . 1 1 91 91 VAL CB C 13 32.389 0.300 . 1 . . . . 91 VAL CB . 17312 1 1193 . 1 1 91 91 VAL CG1 C 13 21.586 0.300 . 2 . . . . 91 VAL CG1 . 17312 1 1194 . 1 1 91 91 VAL CG2 C 13 21.013 0.300 . 2 . . . . 91 VAL CG2 . 17312 1 1195 . 1 1 91 91 VAL N N 15 115.669 0.300 . 1 . . . . 91 VAL N . 17312 1 1196 . 1 1 92 92 GLY H H 1 7.938 0.020 . 1 . . . . 92 GLY H . 17312 1 1197 . 1 1 92 92 GLY HA2 H 1 3.927 0.020 . 2 . . . . 92 GLY HA2 . 17312 1 1198 . 1 1 92 92 GLY HA3 H 1 3.768 0.020 . 2 . . . . 92 GLY HA3 . 17312 1 1199 . 1 1 92 92 GLY C C 13 174.264 0.300 . 1 . . . . 92 GLY C . 17312 1 1200 . 1 1 92 92 GLY CA C 13 45.246 0.300 . 1 . . . . 92 GLY CA . 17312 1 1201 . 1 1 92 92 GLY N N 15 109.651 0.300 . 1 . . . . 92 GLY N . 17312 1 1202 . 1 1 93 93 SER H H 1 7.987 0.020 . 1 . . . . 93 SER H . 17312 1 1203 . 1 1 93 93 SER HA H 1 4.424 0.020 . 1 . . . . 93 SER HA . 17312 1 1204 . 1 1 93 93 SER HB2 H 1 3.810 0.020 . 2 . . . . 93 SER HB2 . 17312 1 1205 . 1 1 93 93 SER HB3 H 1 3.786 0.020 . 2 . . . . 93 SER HB3 . 17312 1 1206 . 1 1 93 93 SER C C 13 174.459 0.300 . 1 . . . . 93 SER C . 17312 1 1207 . 1 1 93 93 SER CA C 13 58.317 0.300 . 1 . . . . 93 SER CA . 17312 1 1208 . 1 1 93 93 SER CB C 13 63.831 0.300 . 1 . . . . 93 SER CB . 17312 1 1209 . 1 1 93 93 SER N N 15 115.531 0.300 . 1 . . . . 93 SER N . 17312 1 1210 . 1 1 94 94 VAL H H 1 8.007 0.020 . 1 . . . . 94 VAL H . 17312 1 1211 . 1 1 94 94 VAL HA H 1 4.099 0.020 . 1 . . . . 94 VAL HA . 17312 1 1212 . 1 1 94 94 VAL HB H 1 2.038 0.020 . 1 . . . . 94 VAL HB . 17312 1 1213 . 1 1 94 94 VAL HG11 H 1 0.878 0.020 . 1 . . . . 94 VAL QG1 . 17312 1 1214 . 1 1 94 94 VAL HG12 H 1 0.878 0.020 . 1 . . . . 94 VAL QG1 . 17312 1 1215 . 1 1 94 94 VAL HG13 H 1 0.878 0.020 . 1 . . . . 94 VAL QG1 . 17312 1 1216 . 1 1 94 94 VAL HG21 H 1 0.908 0.020 . 1 . . . . 94 VAL QG2 . 17312 1 1217 . 1 1 94 94 VAL HG22 H 1 0.908 0.020 . 1 . . . . 94 VAL QG2 . 17312 1 1218 . 1 1 94 94 VAL HG23 H 1 0.908 0.020 . 1 . . . . 94 VAL QG2 . 17312 1 1219 . 1 1 94 94 VAL C C 13 175.882 0.300 . 1 . . . . 94 VAL C . 17312 1 1220 . 1 1 94 94 VAL CA C 13 62.067 0.300 . 1 . . . . 94 VAL CA . 17312 1 1221 . 1 1 94 94 VAL CB C 13 32.740 0.300 . 1 . . . . 94 VAL CB . 17312 1 1222 . 1 1 94 94 VAL CG1 C 13 21.065 0.300 . 2 . . . . 94 VAL CG1 . 17312 1 1223 . 1 1 94 94 VAL CG2 C 13 20.582 0.300 . 2 . . . . 94 VAL CG2 . 17312 1 1224 . 1 1 94 94 VAL N N 15 121.513 0.300 . 1 . . . . 94 VAL N . 17312 1 1225 . 1 1 95 95 GLN H H 1 8.403 0.020 . 1 . . . . 95 GLN H . 17312 1 1226 . 1 1 95 95 GLN HA H 1 4.300 0.020 . 1 . . . . 95 GLN HA . 17312 1 1227 . 1 1 95 95 GLN HB2 H 1 1.979 0.020 . 2 . . . . 95 GLN HB2 . 17312 1 1228 . 1 1 95 95 GLN HB3 H 1 1.881 0.020 . 2 . . . . 95 GLN HB3 . 17312 1 1229 . 1 1 95 95 GLN HG2 H 1 2.322 0.020 . 2 . . . . 95 GLN HG2 . 17312 1 1230 . 1 1 95 95 GLN HG3 H 1 2.275 0.020 . 2 . . . . 95 GLN HG3 . 17312 1 1231 . 1 1 95 95 GLN HE21 H 1 7.117 0.020 . 2 . . . . 95 GLN HE21 . 17312 1 1232 . 1 1 95 95 GLN HE22 H 1 6.766 0.020 . 2 . . . . 95 GLN HE22 . 17312 1 1233 . 1 1 95 95 GLN C C 13 175.509 0.300 . 1 . . . . 95 GLN C . 17312 1 1234 . 1 1 95 95 GLN CA C 13 55.434 0.300 . 1 . . . . 95 GLN CA . 17312 1 1235 . 1 1 95 95 GLN CB C 13 29.467 0.300 . 1 . . . . 95 GLN CB . 17312 1 1236 . 1 1 95 95 GLN CG C 13 33.759 0.300 . 1 . . . . 95 GLN CG . 17312 1 1237 . 1 1 95 95 GLN CD C 13 179.732 0.300 . 1 . . . . 95 GLN CD . 17312 1 1238 . 1 1 95 95 GLN N N 15 124.557 0.300 . 1 . . . . 95 GLN N . 17312 1 1239 . 1 1 95 95 GLN NE2 N 15 110.708 0.300 . 1 . . . . 95 GLN NE2 . 17312 1 1240 . 1 1 96 96 ILE H H 1 8.276 0.020 . 1 . . . . 96 ILE H . 17312 1 1241 . 1 1 96 96 ILE HA H 1 4.392 0.020 . 1 . . . . 96 ILE HA . 17312 1 1242 . 1 1 96 96 ILE HB H 1 1.808 0.020 . 1 . . . . 96 ILE HB . 17312 1 1243 . 1 1 96 96 ILE HG12 H 1 1.454 0.020 . 2 . . . . 96 ILE HG12 . 17312 1 1244 . 1 1 96 96 ILE HG13 H 1 1.121 0.020 . 2 . . . . 96 ILE HG13 . 17312 1 1245 . 1 1 96 96 ILE HG21 H 1 0.894 0.020 . 1 . . . . 96 ILE QG2 . 17312 1 1246 . 1 1 96 96 ILE HG22 H 1 0.894 0.020 . 1 . . . . 96 ILE QG2 . 17312 1 1247 . 1 1 96 96 ILE HG23 H 1 0.894 0.020 . 1 . . . . 96 ILE QG2 . 17312 1 1248 . 1 1 96 96 ILE HD11 H 1 0.799 0.020 . 1 . . . . 96 ILE QD1 . 17312 1 1249 . 1 1 96 96 ILE HD12 H 1 0.799 0.020 . 1 . . . . 96 ILE QD1 . 17312 1 1250 . 1 1 96 96 ILE HD13 H 1 0.799 0.020 . 1 . . . . 96 ILE QD1 . 17312 1 1251 . 1 1 96 96 ILE CA C 13 58.645 0.300 . 1 . . . . 96 ILE CA . 17312 1 1252 . 1 1 96 96 ILE CB C 13 38.611 0.300 . 1 . . . . 96 ILE CB . 17312 1 1253 . 1 1 96 96 ILE CG1 C 13 27.060 0.300 . 1 . . . . 96 ILE CG1 . 17312 1 1254 . 1 1 96 96 ILE CG2 C 13 17.039 0.300 . 1 . . . . 96 ILE CG2 . 17312 1 1255 . 1 1 96 96 ILE CD1 C 13 12.648 0.300 . 1 . . . . 96 ILE CD1 . 17312 1 1256 . 1 1 96 96 ILE N N 15 125.035 0.300 . 1 . . . . 96 ILE N . 17312 1 1257 . 1 1 97 97 PRO HA H 1 4.360 0.020 . 1 . . . . 97 PRO HA . 17312 1 1258 . 1 1 97 97 PRO HB2 H 1 2.224 0.020 . 2 . . . . 97 PRO HB2 . 17312 1 1259 . 1 1 97 97 PRO HB3 H 1 1.815 0.020 . 2 . . . . 97 PRO HB3 . 17312 1 1260 . 1 1 97 97 PRO HG2 H 1 1.928 0.020 . 2 . . . . 97 PRO HG2 . 17312 1 1261 . 1 1 97 97 PRO HG3 H 1 1.913 0.020 . 2 . . . . 97 PRO HG3 . 17312 1 1262 . 1 1 97 97 PRO HD2 H 1 3.735 0.020 . 2 . . . . 97 PRO HD2 . 17312 1 1263 . 1 1 97 97 PRO HD3 H 1 3.428 0.020 . 2 . . . . 97 PRO HD3 . 17312 1 1264 . 1 1 97 97 PRO C C 13 176.541 0.300 . 1 . . . . 97 PRO C . 17312 1 1265 . 1 1 97 97 PRO CA C 13 62.877 0.300 . 1 . . . . 97 PRO CA . 17312 1 1266 . 1 1 97 97 PRO CB C 13 32.155 0.300 . 1 . . . . 97 PRO CB . 17312 1 1267 . 1 1 97 97 PRO CG C 13 27.299 0.300 . 1 . . . . 97 PRO CG . 17312 1 1268 . 1 1 97 97 PRO CD C 13 50.580 0.300 . 1 . . . . 97 PRO CD . 17312 1 1269 . 1 1 98 98 VAL H H 1 8.259 0.020 . 1 . . . . 98 VAL H . 17312 1 1270 . 1 1 98 98 VAL HA H 1 4.009 0.020 . 1 . . . . 98 VAL HA . 17312 1 1271 . 1 1 98 98 VAL HB H 1 1.961 0.020 . 1 . . . . 98 VAL HB . 17312 1 1272 . 1 1 98 98 VAL HG11 H 1 0.913 0.020 . 1 . . . . 98 VAL QG1 . 17312 1 1273 . 1 1 98 98 VAL HG12 H 1 0.913 0.020 . 1 . . . . 98 VAL QG1 . 17312 1 1274 . 1 1 98 98 VAL HG13 H 1 0.913 0.020 . 1 . . . . 98 VAL QG1 . 17312 1 1275 . 1 1 98 98 VAL HG21 H 1 0.887 0.020 . 1 . . . . 98 VAL QG2 . 17312 1 1276 . 1 1 98 98 VAL HG22 H 1 0.887 0.020 . 1 . . . . 98 VAL QG2 . 17312 1 1277 . 1 1 98 98 VAL HG23 H 1 0.887 0.020 . 1 . . . . 98 VAL QG2 . 17312 1 1278 . 1 1 98 98 VAL C C 13 176.114 0.300 . 1 . . . . 98 VAL C . 17312 1 1279 . 1 1 98 98 VAL CA C 13 62.250 0.300 . 1 . . . . 98 VAL CA . 17312 1 1280 . 1 1 98 98 VAL CB C 13 32.744 0.300 . 1 . . . . 98 VAL CB . 17312 1 1281 . 1 1 98 98 VAL CG1 C 13 21.366 0.300 . 2 . . . . 98 VAL CG1 . 17312 1 1282 . 1 1 98 98 VAL CG2 C 13 20.668 0.300 . 2 . . . . 98 VAL CG2 . 17312 1 1283 . 1 1 98 98 VAL N N 15 121.752 0.300 . 1 . . . . 98 VAL N . 17312 1 1284 . 1 1 99 99 VAL H H 1 8.209 0.020 . 1 . . . . 99 VAL H . 17312 1 1285 . 1 1 99 99 VAL HA H 1 4.054 0.020 . 1 . . . . 99 VAL HA . 17312 1 1286 . 1 1 99 99 VAL HB H 1 1.949 0.020 . 1 . . . . 99 VAL HB . 17312 1 1287 . 1 1 99 99 VAL HG11 H 1 0.858 0.020 . 1 . . . . 99 VAL QG1 . 17312 1 1288 . 1 1 99 99 VAL HG12 H 1 0.858 0.020 . 1 . . . . 99 VAL QG1 . 17312 1 1289 . 1 1 99 99 VAL HG13 H 1 0.858 0.020 . 1 . . . . 99 VAL QG1 . 17312 1 1290 . 1 1 99 99 VAL HG21 H 1 0.853 0.020 . 1 . . . . 99 VAL QG2 . 17312 1 1291 . 1 1 99 99 VAL HG22 H 1 0.853 0.020 . 1 . . . . 99 VAL QG2 . 17312 1 1292 . 1 1 99 99 VAL HG23 H 1 0.853 0.020 . 1 . . . . 99 VAL QG2 . 17312 1 1293 . 1 1 99 99 VAL C C 13 175.758 0.300 . 1 . . . . 99 VAL C . 17312 1 1294 . 1 1 99 99 VAL CA C 13 62.000 0.300 . 1 . . . . 99 VAL CA . 17312 1 1295 . 1 1 99 99 VAL CB C 13 33.036 0.300 . 1 . . . . 99 VAL CB . 17312 1 1296 . 1 1 99 99 VAL CG1 C 13 21.091 0.300 . 2 . . . . 99 VAL CG1 . 17312 1 1297 . 1 1 99 99 VAL CG2 C 13 20.469 0.300 . 2 . . . . 99 VAL CG2 . 17312 1 1298 . 1 1 99 99 VAL N N 15 125.247 0.300 . 1 . . . . 99 VAL N . 17312 1 1299 . 1 1 100 100 GLU H H 1 8.513 0.020 . 1 . . . . 100 GLU H . 17312 1 1300 . 1 1 100 100 GLU HA H 1 4.269 0.020 . 1 . . . . 100 GLU HA . 17312 1 1301 . 1 1 100 100 GLU HB2 H 1 1.963 0.020 . 2 . . . . 100 GLU HB2 . 17312 1 1302 . 1 1 100 100 GLU HB3 H 1 1.823 0.020 . 2 . . . . 100 GLU HB3 . 17312 1 1303 . 1 1 100 100 GLU HG2 H 1 2.208 0.020 . 2 . . . . 100 GLU HG2 . 17312 1 1304 . 1 1 100 100 GLU HG3 H 1 2.134 0.020 . 2 . . . . 100 GLU HG3 . 17312 1 1305 . 1 1 100 100 GLU C C 13 176.256 0.300 . 1 . . . . 100 GLU C . 17312 1 1306 . 1 1 100 100 GLU CA C 13 56.192 0.300 . 1 . . . . 100 GLU CA . 17312 1 1307 . 1 1 100 100 GLU CB C 13 30.370 0.300 . 1 . . . . 100 GLU CB . 17312 1 1308 . 1 1 100 100 GLU CG C 13 36.303 0.300 . 1 . . . . 100 GLU CG . 17312 1 1309 . 1 1 100 100 GLU CD C 13 183.791 0.300 . 1 . . . . 100 GLU CD . 17312 1 1310 . 1 1 100 100 GLU N N 15 125.990 0.300 . 1 . . . . 100 GLU N . 17312 1 1311 . 1 1 101 101 VAL H H 1 8.218 0.020 . 1 . . . . 101 VAL H . 17312 1 1312 . 1 1 101 101 VAL HA H 1 4.056 0.020 . 1 . . . . 101 VAL HA . 17312 1 1313 . 1 1 101 101 VAL HB H 1 2.004 0.020 . 1 . . . . 101 VAL HB . 17312 1 1314 . 1 1 101 101 VAL HG11 H 1 0.863 0.020 . 1 . . . . 101 VAL QG1 . 17312 1 1315 . 1 1 101 101 VAL HG12 H 1 0.863 0.020 . 1 . . . . 101 VAL QG1 . 17312 1 1316 . 1 1 101 101 VAL HG13 H 1 0.863 0.020 . 1 . . . . 101 VAL QG1 . 17312 1 1317 . 1 1 101 101 VAL HG21 H 1 0.832 0.020 . 1 . . . . 101 VAL QG2 . 17312 1 1318 . 1 1 101 101 VAL HG22 H 1 0.832 0.020 . 1 . . . . 101 VAL QG2 . 17312 1 1319 . 1 1 101 101 VAL HG23 H 1 0.832 0.020 . 1 . . . . 101 VAL QG2 . 17312 1 1320 . 1 1 101 101 VAL C C 13 175.633 0.300 . 1 . . . . 101 VAL C . 17312 1 1321 . 1 1 101 101 VAL CA C 13 61.772 0.300 . 1 . . . . 101 VAL CA . 17312 1 1322 . 1 1 101 101 VAL CB C 13 33.005 0.300 . 1 . . . . 101 VAL CB . 17312 1 1323 . 1 1 101 101 VAL CG1 C 13 21.077 0.300 . 2 . . . . 101 VAL CG1 . 17312 1 1324 . 1 1 101 101 VAL CG2 C 13 20.294 0.300 . 2 . . . . 101 VAL CG2 . 17312 1 1325 . 1 1 101 101 VAL N N 15 121.213 0.300 . 1 . . . . 101 VAL N . 17312 1 1326 . 1 1 102 102 ASP H H 1 8.356 0.020 . 1 . . . . 102 ASP H . 17312 1 1327 . 1 1 102 102 ASP HA H 1 4.527 0.020 . 1 . . . . 102 ASP HA . 17312 1 1328 . 1 1 102 102 ASP HB2 H 1 2.600 0.020 . 2 . . . . 102 ASP HB2 . 17312 1 1329 . 1 1 102 102 ASP HB3 H 1 2.482 0.020 . 2 . . . . 102 ASP HB3 . 17312 1 1330 . 1 1 102 102 ASP C C 13 175.829 0.300 . 1 . . . . 102 ASP C . 17312 1 1331 . 1 1 102 102 ASP CA C 13 54.311 0.300 . 1 . . . . 102 ASP CA . 17312 1 1332 . 1 1 102 102 ASP CB C 13 41.216 0.300 . 1 . . . . 102 ASP CB . 17312 1 1333 . 1 1 102 102 ASP CG C 13 180.123 0.300 . 1 . . . . 102 ASP CG . 17312 1 1334 . 1 1 102 102 ASP N N 15 124.071 0.300 . 1 . . . . 102 ASP N . 17312 1 1335 . 1 1 103 103 GLU H H 1 8.210 0.020 . 1 . . . . 103 GLU H . 17312 1 1336 . 1 1 103 103 GLU HA H 1 4.456 0.020 . 1 . . . . 103 GLU HA . 17312 1 1337 . 1 1 103 103 GLU HB2 H 1 2.495 0.020 . 2 . . . . 103 GLU HB2 . 17312 1 1338 . 1 1 103 103 GLU HB3 H 1 2.439 0.020 . 2 . . . . 103 GLU HB3 . 17312 1 1339 . 1 1 103 103 GLU HG2 H 1 1.993 0.020 . 2 . . . . 103 GLU HG2 . 17312 1 1340 . 1 1 103 103 GLU HG3 H 1 1.914 0.020 . 2 . . . . 103 GLU HG3 . 17312 1 1341 . 1 1 103 103 GLU C C 13 176.007 0.300 . 1 . . . . 103 GLU C . 17312 1 1342 . 1 1 103 103 GLU CA C 13 55.755 0.300 . 1 . . . . 103 GLU CA . 17312 1 1343 . 1 1 103 103 GLU CB C 13 32.076 0.300 . 1 . . . . 103 GLU CB . 17312 1 1344 . 1 1 103 103 GLU CG C 13 33.870 0.300 . 1 . . . . 103 GLU CG . 17312 1 1345 . 1 1 103 103 GLU CD C 13 179.914 0.300 . 1 . . . . 103 GLU CD . 17312 1 1346 . 1 1 103 103 GLU N N 15 121.314 0.300 . 1 . . . . 103 GLU N . 17312 1 1347 . 1 1 104 104 LEU H H 1 8.299 0.020 . 1 . . . . 104 LEU H . 17312 1 1348 . 1 1 104 104 LEU HA H 1 4.474 0.020 . 1 . . . . 104 LEU HA . 17312 1 1349 . 1 1 104 104 LEU HB2 H 1 1.503 0.020 . 2 . . . . 104 LEU HB2 . 17312 1 1350 . 1 1 104 104 LEU HB3 H 1 1.311 0.020 . 2 . . . . 104 LEU HB3 . 17312 1 1351 . 1 1 104 104 LEU HG H 1 1.524 0.020 . 1 . . . . 104 LEU HG . 17312 1 1352 . 1 1 104 104 LEU HD11 H 1 0.756 0.020 . 1 . . . . 104 LEU QD1 . 17312 1 1353 . 1 1 104 104 LEU HD12 H 1 0.756 0.020 . 1 . . . . 104 LEU QD1 . 17312 1 1354 . 1 1 104 104 LEU HD13 H 1 0.756 0.020 . 1 . . . . 104 LEU QD1 . 17312 1 1355 . 1 1 104 104 LEU HD21 H 1 0.706 0.020 . 1 . . . . 104 LEU QD2 . 17312 1 1356 . 1 1 104 104 LEU HD22 H 1 0.706 0.020 . 1 . . . . 104 LEU QD2 . 17312 1 1357 . 1 1 104 104 LEU HD23 H 1 0.706 0.020 . 1 . . . . 104 LEU QD2 . 17312 1 1358 . 1 1 104 104 LEU CA C 13 52.896 0.300 . 1 . . . . 104 LEU CA . 17312 1 1359 . 1 1 104 104 LEU CB C 13 41.565 0.300 . 1 . . . . 104 LEU CB . 17312 1 1360 . 1 1 104 104 LEU CG C 13 26.994 0.300 . 1 . . . . 104 LEU CG . 17312 1 1361 . 1 1 104 104 LEU CD1 C 13 25.137 0.300 . 2 . . . . 104 LEU CD1 . 17312 1 1362 . 1 1 104 104 LEU CD2 C 13 23.127 0.300 . 2 . . . . 104 LEU CD2 . 17312 1 1363 . 1 1 104 104 LEU N N 15 125.180 0.300 . 1 . . . . 104 LEU N . 17312 1 1364 . 1 1 105 105 PRO HA H 1 4.339 0.030 . 1 . . . . 105 PRO HA . 17312 1 1365 . 1 1 105 105 PRO HB2 H 1 2.219 0.020 . 2 . . . . 105 PRO HB2 . 17312 1 1366 . 1 1 105 105 PRO HB3 H 1 1.778 0.020 . 2 . . . . 105 PRO HB3 . 17312 1 1367 . 1 1 105 105 PRO HG2 H 1 1.982 0.020 . 2 . . . . 105 PRO HG2 . 17312 1 1368 . 1 1 105 105 PRO HG3 H 1 1.908 0.020 . 2 . . . . 105 PRO HG3 . 17312 1 1369 . 1 1 105 105 PRO HD2 H 1 3.847 0.020 . 2 . . . . 105 PRO HD2 . 17312 1 1370 . 1 1 105 105 PRO HD3 H 1 3.623 0.020 . 2 . . . . 105 PRO HD3 . 17312 1 1371 . 1 1 105 105 PRO C C 13 176.861 0.300 . 1 . . . . 105 PRO C . 17312 1 1372 . 1 1 105 105 PRO CA C 13 63.381 0.300 . 1 . . . . 105 PRO CA . 17312 1 1373 . 1 1 105 105 PRO CB C 13 32.271 0.300 . 1 . . . . 105 PRO CB . 17312 1 1374 . 1 1 105 105 PRO CG C 13 27.455 0.300 . 1 . . . . 105 PRO CG . 17312 1 1375 . 1 1 105 105 PRO CD C 13 51.142 0.300 . 1 . . . . 105 PRO CD . 17312 1 1376 . 1 1 106 106 GLU H H 1 8.518 0.020 . 1 . . . . 106 GLU H . 17312 1 1377 . 1 1 106 106 GLU HA H 1 4.125 0.020 . 1 . . . . 106 GLU HA . 17312 1 1378 . 1 1 106 106 GLU HB2 H 1 1.939 0.020 . 2 . . . . 106 GLU HB2 . 17312 1 1379 . 1 1 106 106 GLU HB3 H 1 1.912 0.020 . 2 . . . . 106 GLU HB3 . 17312 1 1380 . 1 1 106 106 GLU HG2 H 1 2.230 0.020 . 2 . . . . 106 GLU HG2 . 17312 1 1381 . 1 1 106 106 GLU HG3 H 1 2.191 0.020 . 2 . . . . 106 GLU HG3 . 17312 1 1382 . 1 1 106 106 GLU C C 13 177.373 0.300 . 1 . . . . 106 GLU C . 17312 1 1383 . 1 1 106 106 GLU CA C 13 57.236 0.300 . 1 . . . . 106 GLU CA . 17312 1 1384 . 1 1 106 106 GLU CB C 13 29.917 0.300 . 1 . . . . 106 GLU CB . 17312 1 1385 . 1 1 106 106 GLU CG C 13 36.077 0.300 . 1 . . . . 106 GLU CG . 17312 1 1386 . 1 1 106 106 GLU CD C 13 183.462 0.300 . 1 . . . . 106 GLU CD . 17312 1 1387 . 1 1 106 106 GLU N N 15 121.345 0.300 . 1 . . . . 106 GLU N . 17312 1 1388 . 1 1 107 107 GLY H H 1 8.549 0.020 . 1 . . . . 107 GLY H . 17312 1 1389 . 1 1 107 107 GLY HA2 H 1 3.937 0.020 . 2 . . . . 107 GLY HA2 . 17312 1 1390 . 1 1 107 107 GLY HA3 H 1 3.761 0.020 . 2 . . . . 107 GLY HA3 . 17312 1 1391 . 1 1 107 107 GLY C C 13 174.139 0.300 . 1 . . . . 107 GLY C . 17312 1 1392 . 1 1 107 107 GLY CA C 13 45.405 0.300 . 1 . . . . 107 GLY CA . 17312 1 1393 . 1 1 107 107 GLY N N 15 110.807 0.300 . 1 . . . . 107 GLY N . 17312 1 1394 . 1 1 108 108 TYR H H 1 7.861 0.020 . 1 . . . . 108 TYR H . 17312 1 1395 . 1 1 108 108 TYR HA H 1 4.402 0.020 . 1 . . . . 108 TYR HA . 17312 1 1396 . 1 1 108 108 TYR HB2 H 1 2.987 0.020 . 2 . . . . 108 TYR HB2 . 17312 1 1397 . 1 1 108 108 TYR HB3 H 1 2.940 0.020 . 2 . . . . 108 TYR HB3 . 17312 1 1398 . 1 1 108 108 TYR HD1 H 1 7.035 0.020 . 3 . . . . 108 TYR QD . 17312 1 1399 . 1 1 108 108 TYR HD2 H 1 7.035 0.020 . 3 . . . . 108 TYR QD . 17312 1 1400 . 1 1 108 108 TYR HE1 H 1 6.771 0.020 . 3 . . . . 108 TYR QE . 17312 1 1401 . 1 1 108 108 TYR HE2 H 1 6.771 0.020 . 3 . . . . 108 TYR QE . 17312 1 1402 . 1 1 108 108 TYR C C 13 175.331 0.300 . 1 . . . . 108 TYR C . 17312 1 1403 . 1 1 108 108 TYR CA C 13 58.311 0.300 . 1 . . . . 108 TYR CA . 17312 1 1404 . 1 1 108 108 TYR CB C 13 38.758 0.300 . 1 . . . . 108 TYR CB . 17312 1 1405 . 1 1 108 108 TYR CG C 13 130.905 0.300 . 1 . . . . 108 TYR CG . 17312 1 1406 . 1 1 108 108 TYR CD1 C 13 133.442 0.300 . 3 . . . . 108 TYR CD1 . 17312 1 1407 . 1 1 108 108 TYR CD2 C 13 132.986 0.300 . 3 . . . . 108 TYR CD2 . 17312 1 1408 . 1 1 108 108 TYR CE1 C 13 118.383 0.300 . 3 . . . . 108 TYR CE1 . 17312 1 1409 . 1 1 108 108 TYR CE2 C 13 117.933 0.300 . 3 . . . . 108 TYR CE2 . 17312 1 1410 . 1 1 108 108 TYR CZ C 13 156.647 0.300 . 1 . . . . 108 TYR CZ . 17312 1 1411 . 1 1 108 108 TYR N N 15 120.156 0.300 . 1 . . . . 108 TYR N . 17312 1 1412 . 1 1 109 109 ASP H H 1 8.307 0.020 . 1 . . . . 109 ASP H . 17312 1 1413 . 1 1 109 109 ASP HA H 1 4.474 0.020 . 1 . . . . 109 ASP HA . 17312 1 1414 . 1 1 109 109 ASP HB2 H 1 2.538 0.020 . 2 . . . . 109 ASP HB2 . 17312 1 1415 . 1 1 109 109 ASP HB3 H 1 2.503 0.020 . 2 . . . . 109 ASP HB3 . 17312 1 1416 . 1 1 109 109 ASP C C 13 175.740 0.300 . 1 . . . . 109 ASP C . 17312 1 1417 . 1 1 109 109 ASP CA C 13 53.948 0.300 . 1 . . . . 109 ASP CA . 17312 1 1418 . 1 1 109 109 ASP CB C 13 40.895 0.300 . 1 . . . . 109 ASP CB . 17312 1 1419 . 1 1 109 109 ASP CG C 13 180.476 0.300 . 1 . . . . 109 ASP CG . 17312 1 1420 . 1 1 109 109 ASP N N 15 122.036 0.300 . 1 . . . . 109 ASP N . 17312 1 1421 . 1 1 110 110 ARG H H 1 8.053 0.020 . 1 . . . . 110 ARG H . 17312 1 1422 . 1 1 110 110 ARG HA H 1 4.328 0.020 . 1 . . . . 110 ARG HA . 17312 1 1423 . 1 1 110 110 ARG HB2 H 1 1.865 0.020 . 2 . . . . 110 ARG HB2 . 17312 1 1424 . 1 1 110 110 ARG HB3 H 1 1.672 0.020 . 2 . . . . 110 ARG HB3 . 17312 1 1425 . 1 1 110 110 ARG HG2 H 1 1.581 0.020 . 2 . . . . 110 ARG HG2 . 17312 1 1426 . 1 1 110 110 ARG HG3 H 1 1.556 0.020 . 2 . . . . 110 ARG HG3 . 17312 1 1427 . 1 1 110 110 ARG HD2 H 1 3.136 0.020 . 2 . . . . 110 ARG HD2 . 17312 1 1428 . 1 1 110 110 ARG HD3 H 1 3.118 0.020 . 2 . . . . 110 ARG HD3 . 17312 1 1429 . 1 1 110 110 ARG C C 13 175.509 0.300 . 1 . . . . 110 ARG C . 17312 1 1430 . 1 1 110 110 ARG CA C 13 55.810 0.300 . 1 . . . . 110 ARG CA . 17312 1 1431 . 1 1 110 110 ARG CB C 13 30.634 0.300 . 1 . . . . 110 ARG CB . 17312 1 1432 . 1 1 110 110 ARG CG C 13 27.186 0.300 . 1 . . . . 110 ARG CG . 17312 1 1433 . 1 1 110 110 ARG CD C 13 43.203 0.300 . 1 . . . . 110 ARG CD . 17312 1 1434 . 1 1 110 110 ARG N N 15 122.177 0.300 . 1 . . . . 110 ARG N . 17312 1 1435 . 1 1 111 111 SER H H 1 8.001 0.020 . 1 . . . . 111 SER H . 17312 1 1436 . 1 1 111 111 SER HA H 1 4.160 0.020 . 1 . . . . 111 SER HA . 17312 1 1437 . 1 1 111 111 SER HB2 H 1 3.801 0.020 . 2 . . . . 111 SER HB2 . 17312 1 1438 . 1 1 111 111 SER HB3 H 1 3.781 0.020 . 2 . . . . 111 SER HB3 . 17312 1 1439 . 1 1 111 111 SER CA C 13 60.187 0.300 . 1 . . . . 111 SER CA . 17312 1 1440 . 1 1 111 111 SER CB C 13 64.548 0.300 . 1 . . . . 111 SER CB . 17312 1 1441 . 1 1 111 111 SER N N 15 122.942 0.300 . 1 . . . . 111 SER N . 17312 1 1442 . 2 2 1 1 MET H H 1 7.238 0.020 . 1 . . . . 720 MET H . 17312 1 1443 . 2 2 1 1 MET HA H 1 4.600 0.020 . 1 . . . . 720 MET HA . 17312 1 1444 . 2 2 1 1 MET HB2 H 1 1.730 0.020 . 2 . . . . 720 MET HB2 . 17312 1 1445 . 2 2 1 1 MET HB3 H 1 1.712 0.020 . 2 . . . . 720 MET HB3 . 17312 1 1446 . 2 2 1 1 MET HG2 H 1 2.258 0.020 . 2 . . . . 720 MET HG2 . 17312 1 1447 . 2 2 1 1 MET HG3 H 1 2.164 0.020 . 2 . . . . 720 MET HG3 . 17312 1 1448 . 2 2 1 1 MET HE1 H 1 1.950 0.020 . 1 . . . . 720 MET QE . 17312 1 1449 . 2 2 1 1 MET HE2 H 1 1.950 0.020 . 1 . . . . 720 MET QE . 17312 1 1450 . 2 2 1 1 MET HE3 H 1 1.950 0.020 . 1 . . . . 720 MET QE . 17312 1 1451 . 2 2 1 1 MET CA C 13 52.793 0.300 . 1 . . . . 720 MET CA . 17312 1 1452 . 2 2 1 1 MET CB C 13 30.241 0.300 . 1 . . . . 720 MET CB . 17312 1 1453 . 2 2 1 1 MET CG C 13 29.176 0.300 . 1 . . . . 720 MET CG . 17312 1 1454 . 2 2 1 1 MET CE C 13 21.691 0.300 . 1 . . . . 720 MET CE . 17312 1 1455 . 2 2 2 2 GLU H H 1 8.706 0.020 . 1 . . . . 721 GLU H . 17312 1 1456 . 2 2 2 2 GLU HA H 1 3.911 0.020 . 1 . . . . 721 GLU HA . 17312 1 1457 . 2 2 2 2 GLU HB2 H 1 1.947 0.020 . 2 . . . . 721 GLU HB2 . 17312 1 1458 . 2 2 2 2 GLU HB3 H 1 1.741 0.020 . 2 . . . . 721 GLU HB3 . 17312 1 1459 . 2 2 2 2 GLU HG2 H 1 2.413 0.020 . 2 . . . . 721 GLU HG2 . 17312 1 1460 . 2 2 2 2 GLU HG3 H 1 2.178 0.020 . 2 . . . . 721 GLU HG3 . 17312 1 1461 . 2 2 2 2 GLU CA C 13 53.711 0.300 . 1 . . . . 721 GLU CA . 17312 1 1462 . 2 2 2 2 GLU CB C 13 27.505 0.300 . 1 . . . . 721 GLU CB . 17312 1 1463 . 2 2 2 2 GLU CG C 13 33.443 0.300 . 1 . . . . 721 GLU CG . 17312 1 1464 . 2 2 3 3 GLU H H 1 8.448 0.020 . 1 . . . . 722 GLU H . 17312 1 1465 . 2 2 3 3 GLU HA H 1 3.911 0.020 . 1 . . . . 722 GLU HA . 17312 1 1466 . 2 2 3 3 GLU HB2 H 1 1.947 0.020 . 2 . . . . 722 GLU HB2 . 17312 1 1467 . 2 2 3 3 GLU HB3 H 1 1.878 0.020 . 2 . . . . 722 GLU HB3 . 17312 1 1468 . 2 2 3 3 GLU HG2 H 1 2.287 0.020 . 2 . . . . 722 GLU HG2 . 17312 1 1469 . 2 2 3 3 GLU HG3 H 1 2.106 0.020 . 2 . . . . 722 GLU HG3 . 17312 1 1470 . 2 2 3 3 GLU CA C 13 53.574 0.300 . 1 . . . . 722 GLU CA . 17312 1 1471 . 2 2 3 3 GLU CB C 13 27.432 0.300 . 1 . . . . 722 GLU CB . 17312 1 1472 . 2 2 3 3 GLU CG C 13 33.549 0.300 . 1 . . . . 722 GLU CG . 17312 1 1473 . 2 2 4 4 VAL H H 1 8.061 0.020 . 1 . . . . 723 VAL H . 17312 1 1474 . 2 2 4 4 VAL HA H 1 3.893 0.020 . 1 . . . . 723 VAL HA . 17312 1 1475 . 2 2 4 4 VAL HB H 1 1.679 0.020 . 1 . . . . 723 VAL HB . 17312 1 1476 . 2 2 4 4 VAL HG11 H 1 0.963 0.020 . 2 . . . . 723 VAL QG1 . 17312 1 1477 . 2 2 4 4 VAL HG12 H 1 0.963 0.020 . 2 . . . . 723 VAL QG1 . 17312 1 1478 . 2 2 4 4 VAL HG13 H 1 0.963 0.020 . 2 . . . . 723 VAL QG1 . 17312 1 1479 . 2 2 4 4 VAL HG21 H 1 0.789 0.020 . 2 . . . . 723 VAL QG2 . 17312 1 1480 . 2 2 4 4 VAL HG22 H 1 0.789 0.020 . 2 . . . . 723 VAL QG2 . 17312 1 1481 . 2 2 4 4 VAL HG23 H 1 0.789 0.020 . 2 . . . . 723 VAL QG2 . 17312 1 1482 . 2 2 4 4 VAL CA C 13 59.019 0.300 . 1 . . . . 723 VAL CA . 17312 1 1483 . 2 2 4 4 VAL CB C 13 30.488 0.300 . 1 . . . . 723 VAL CB . 17312 1 1484 . 2 2 4 4 VAL CG1 C 13 18.475 0.300 . 2 . . . . 723 VAL CG1 . 17312 1 1485 . 2 2 4 4 VAL CG2 C 13 17.102 0.300 . 2 . . . . 723 VAL CG2 . 17312 1 1486 . 2 2 5 5 ASP H H 1 7.827 0.020 . 1 . . . . 724 ASP H . 17312 1 1487 . 2 2 5 5 ASP HA H 1 4.598 0.020 . 1 . . . . 724 ASP HA . 17312 1 1488 . 2 2 5 5 ASP HB2 H 1 2.258 0.020 . 2 . . . . 724 ASP HB2 . 17312 1 1489 . 2 2 5 5 ASP HB3 H 1 2.160 0.020 . 2 . . . . 724 ASP HB3 . 17312 1 1490 . 2 2 5 5 ASP CA C 13 53.193 0.300 . 1 . . . . 724 ASP CA . 17312 1 1491 . 2 2 5 5 ASP CB C 13 39.455 0.300 . 1 . . . . 724 ASP CB . 17312 1 stop_ save_