data_6837 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6837 _Entry.Title ; NMR Assignments of L27 Heterodimer From C. Elegans Lin-7 and H. Sapiens Lin-2 Scaffold Proteins ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-09-26 _Entry.Accession_date 2005-09-26 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details ; L27 domains from Lin-7 and Lin-2C were expressed as a linked construct to ensure a 1:1 ratio and to improve solubility, ; _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 Keiko Petrosky . Y. . 6837 2 Frank Loehr . . . 6837 3 Volker Doetsch . . . 6837 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6837 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 549 6837 '15N chemical shifts' 146 6837 '1H chemical shifts' 851 6837 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 . . 2007-02-07 2005-09-26 update BMRB 'complete entry citation' 6837 1 . . 2006-10-02 2005-09-26 original author 'original release' 6837 stop_ save_ ############### # Citations # ############### save_JBNMR _Citation.Sf_category citations _Citation.Sf_framecode JBNMR _Citation.Entry_ID 6837 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16721631 _Citation.Full_citation . _Citation.Title 'NMR Assignment of the L27 Heterodimer from LIN-2 and LIN-7 Scaffold Proteins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 15 _Citation.Page_last 15 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Keiko Petrosky . Y. . 6837 1 2 Frank Loehr . . . 6837 1 3 Volker Doetsch . . . 6837 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID heterodimer 6837 1 L27 6837 1 NMR 6837 1 'protein design' 6837 1 'scaffolding protein' 6837 1 specificity 6837 1 stop_ save_ save_JBC _Citation.Sf_category citations _Citation.Sf_framecode JBC _Citation.Entry_ID 6837 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16147993 _Citation.Full_citation . _Citation.Title ; A general model for preferential hetero-oligomerization of Lin-2/7 domains: Mechanism underlying directed assembly of supramolecular signaling complexes. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 280 _Citation.Journal_issue 46 _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 38528 _Citation.Page_last 38536 _Citation.Year 2005 _Citation.Details 'Anticipated publication in the December issue of JBC.' 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 Keiko Petrosky . Y. . 6837 2 2 Horng Ou . D. . 6837 2 3 Frank Loehr . . . 6837 2 4 Volker Doetsch . . . 6837 2 5 Wendell Lim . A. . 6837 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID heterodimer 6837 2 L27 6837 2 NMR 6837 2 'protein design' 6837 2 'scaffolding protein' 6837 2 specificity 6837 2 stop_ save_ save_PDB _Citation.Sf_category citations _Citation.Sf_framecode PDB _Citation.Entry_ID 6837 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR Structure Of L27 Heterodimer From C. Elegans Lin-7 and H. Sapiens Lin-2 Scaffold Proteins' _Citation.Status submitted _Citation.Type internet _Citation.Journal_abbrev . _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 2005 _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 Keiko Petrosky . Y. . 6837 3 2 Ou Horng . D. . 6837 3 3 Frank Loehr . . . 6837 3 4 Volker Doetsch . . . 6837 3 5 Wendell Lim . A. . 6837 3 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID heterodimer 6837 3 L27 6837 3 NMR 6837 3 'scaffolding protein' 6837 3 specificity 6837 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6837 _Assembly.ID 1 _Assembly.Name 'L27 Heterodimer From Lin-7 and Lin-2 Scaffold Proteins' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 18302.2 _Assembly.Enzyme_commission_number . _Assembly.Details 'L27 Heterodimer From C. Elegans Lin-7 and H. Sapiens Lin-2 Scaffold Proteins' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein-protein complex' 6837 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'L27 Heterodimer From Lin-7 and Lin-2 Scaffold Proteins' 1 $construct . . yes native no no . . ; Met1-Ser23 1 "purification tag" Leu24-Ala89 2 "dimerization unit" Gly90-Ser97 3 linker Asn98-Pro164 4 "dimerization unit" ; 6837 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . RCSB 1ZL8 . . NMR . 'NMR Structure' 'Residues not observed by NMR are not included in the PDB file.' 6837 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'assembly of synaptic signaling complexes' 6837 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID heterodimer 6837 1 L27 6837 1 NMR 6837 1 'protein design' 6837 1 specificity 6837 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_construct _Entity.Sf_category entity _Entity.Sf_framecode construct _Entity.Entry_ID 6837 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name construct _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details 'natural amino acids' _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHDYDIPTTENLYE QGSLNLERDVQRILELMEHV QKTGEVNNAKLASLQQVLQS EFFGAVREVYETVYESIDAD TTPEIKAAAGSGSGSGSNLP SDAVQRAKEVLEEISCYPEN NDAKELKRILTQPHFMALLQ THDVVAHEVYSDEALRVTPP PTSP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 164 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 4 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18302.2 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'N-terminal oligoHis tag followed by TEV cleavage site, L27 domain from LIN-7, Gly Ser linker repeat, and L27 domain from LIN-2C' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'purification tag' 6837 1 'TEV protease cleavage site' 6837 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'L27 domain' 6837 1 linker 6837 1 'oligo His tag' 6837 1 'TEV protease cleavage site' 6837 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 . 6837 1 2 . GLY . 6837 1 3 . HIS . 6837 1 4 . HIS . 6837 1 5 . HIS . 6837 1 6 . HIS . 6837 1 7 . HIS . 6837 1 8 . HIS . 6837 1 9 . ASP . 6837 1 10 . TYR . 6837 1 11 . ASP . 6837 1 12 . ILE . 6837 1 13 . PRO . 6837 1 14 . THR . 6837 1 15 . THR . 6837 1 16 . GLU . 6837 1 17 . ASN . 6837 1 18 . LEU . 6837 1 19 . TYR . 6837 1 20 . GLU . 6837 1 21 . GLN . 6837 1 22 . GLY . 6837 1 23 . SER . 6837 1 24 . LEU . 6837 1 25 . ASN . 6837 1 26 . LEU . 6837 1 27 . GLU . 6837 1 28 . ARG . 6837 1 29 . ASP . 6837 1 30 . VAL . 6837 1 31 . GLN . 6837 1 32 . ARG . 6837 1 33 . ILE . 6837 1 34 . LEU . 6837 1 35 . GLU . 6837 1 36 . LEU . 6837 1 37 . MET . 6837 1 38 . GLU . 6837 1 39 . HIS . 6837 1 40 . VAL . 6837 1 41 . GLN . 6837 1 42 . LYS . 6837 1 43 . THR . 6837 1 44 . GLY . 6837 1 45 . GLU . 6837 1 46 . VAL . 6837 1 47 . ASN . 6837 1 48 . ASN . 6837 1 49 . ALA . 6837 1 50 . LYS . 6837 1 51 . LEU . 6837 1 52 . ALA . 6837 1 53 . SER . 6837 1 54 . LEU . 6837 1 55 . GLN . 6837 1 56 . GLN . 6837 1 57 . VAL . 6837 1 58 . LEU . 6837 1 59 . GLN . 6837 1 60 . SER . 6837 1 61 . GLU . 6837 1 62 . PHE . 6837 1 63 . PHE . 6837 1 64 . GLY . 6837 1 65 . ALA . 6837 1 66 . VAL . 6837 1 67 . ARG . 6837 1 68 . GLU . 6837 1 69 . VAL . 6837 1 70 . TYR . 6837 1 71 . GLU . 6837 1 72 . THR . 6837 1 73 . VAL . 6837 1 74 . TYR . 6837 1 75 . GLU . 6837 1 76 . SER . 6837 1 77 . ILE . 6837 1 78 . ASP . 6837 1 79 . ALA . 6837 1 80 . ASP . 6837 1 81 . THR . 6837 1 82 . THR . 6837 1 83 . PRO . 6837 1 84 . GLU . 6837 1 85 . ILE . 6837 1 86 . LYS . 6837 1 87 . ALA . 6837 1 88 . ALA . 6837 1 89 . ALA . 6837 1 90 . GLY . 6837 1 91 . SER . 6837 1 92 . GLY . 6837 1 93 . SER . 6837 1 94 . GLY . 6837 1 95 . SER . 6837 1 96 . GLY . 6837 1 97 . SER . 6837 1 98 . ASN . 6837 1 99 . LEU . 6837 1 100 . PRO . 6837 1 101 . SER . 6837 1 102 . ASP . 6837 1 103 . ALA . 6837 1 104 . VAL . 6837 1 105 . GLN . 6837 1 106 . ARG . 6837 1 107 . ALA . 6837 1 108 . LYS . 6837 1 109 . GLU . 6837 1 110 . VAL . 6837 1 111 . LEU . 6837 1 112 . GLU . 6837 1 113 . GLU . 6837 1 114 . ILE . 6837 1 115 . SER . 6837 1 116 . CYS . 6837 1 117 . TYR . 6837 1 118 . PRO . 6837 1 119 . GLU . 6837 1 120 . ASN . 6837 1 121 . ASN . 6837 1 122 . ASP . 6837 1 123 . ALA . 6837 1 124 . LYS . 6837 1 125 . GLU . 6837 1 126 . LEU . 6837 1 127 . LYS . 6837 1 128 . ARG . 6837 1 129 . ILE . 6837 1 130 . LEU . 6837 1 131 . THR . 6837 1 132 . GLN . 6837 1 133 . PRO . 6837 1 134 . HIS . 6837 1 135 . PHE . 6837 1 136 . MET . 6837 1 137 . ALA . 6837 1 138 . LEU . 6837 1 139 . LEU . 6837 1 140 . GLN . 6837 1 141 . THR . 6837 1 142 . HIS . 6837 1 143 . ASP . 6837 1 144 . VAL . 6837 1 145 . VAL . 6837 1 146 . ALA . 6837 1 147 . HIS . 6837 1 148 . GLU . 6837 1 149 . VAL . 6837 1 150 . TYR . 6837 1 151 . SER . 6837 1 152 . ASP . 6837 1 153 . GLU . 6837 1 154 . ALA . 6837 1 155 . LEU . 6837 1 156 . ARG . 6837 1 157 . VAL . 6837 1 158 . THR . 6837 1 159 . PRO . 6837 1 160 . PRO . 6837 1 161 . PRO . 6837 1 162 . THR . 6837 1 163 . SER . 6837 1 164 . PRO . 6837 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 6837 1 . GLY 2 2 6837 1 . HIS 3 3 6837 1 . HIS 4 4 6837 1 . HIS 5 5 6837 1 . HIS 6 6 6837 1 . HIS 7 7 6837 1 . HIS 8 8 6837 1 . ASP 9 9 6837 1 . TYR 10 10 6837 1 . ASP 11 11 6837 1 . ILE 12 12 6837 1 . PRO 13 13 6837 1 . THR 14 14 6837 1 . THR 15 15 6837 1 . GLU 16 16 6837 1 . ASN 17 17 6837 1 . LEU 18 18 6837 1 . TYR 19 19 6837 1 . GLU 20 20 6837 1 . GLN 21 21 6837 1 . GLY 22 22 6837 1 . SER 23 23 6837 1 . LEU 24 24 6837 1 . ASN 25 25 6837 1 . LEU 26 26 6837 1 . GLU 27 27 6837 1 . ARG 28 28 6837 1 . ASP 29 29 6837 1 . VAL 30 30 6837 1 . GLN 31 31 6837 1 . ARG 32 32 6837 1 . ILE 33 33 6837 1 . LEU 34 34 6837 1 . GLU 35 35 6837 1 . LEU 36 36 6837 1 . MET 37 37 6837 1 . GLU 38 38 6837 1 . HIS 39 39 6837 1 . VAL 40 40 6837 1 . GLN 41 41 6837 1 . LYS 42 42 6837 1 . THR 43 43 6837 1 . GLY 44 44 6837 1 . GLU 45 45 6837 1 . VAL 46 46 6837 1 . ASN 47 47 6837 1 . ASN 48 48 6837 1 . ALA 49 49 6837 1 . LYS 50 50 6837 1 . LEU 51 51 6837 1 . ALA 52 52 6837 1 . SER 53 53 6837 1 . LEU 54 54 6837 1 . GLN 55 55 6837 1 . GLN 56 56 6837 1 . VAL 57 57 6837 1 . LEU 58 58 6837 1 . GLN 59 59 6837 1 . SER 60 60 6837 1 . GLU 61 61 6837 1 . PHE 62 62 6837 1 . PHE 63 63 6837 1 . GLY 64 64 6837 1 . ALA 65 65 6837 1 . VAL 66 66 6837 1 . ARG 67 67 6837 1 . GLU 68 68 6837 1 . VAL 69 69 6837 1 . TYR 70 70 6837 1 . GLU 71 71 6837 1 . THR 72 72 6837 1 . VAL 73 73 6837 1 . TYR 74 74 6837 1 . GLU 75 75 6837 1 . SER 76 76 6837 1 . ILE 77 77 6837 1 . ASP 78 78 6837 1 . ALA 79 79 6837 1 . ASP 80 80 6837 1 . THR 81 81 6837 1 . THR 82 82 6837 1 . PRO 83 83 6837 1 . GLU 84 84 6837 1 . ILE 85 85 6837 1 . LYS 86 86 6837 1 . ALA 87 87 6837 1 . ALA 88 88 6837 1 . ALA 89 89 6837 1 . GLY 90 90 6837 1 . SER 91 91 6837 1 . GLY 92 92 6837 1 . SER 93 93 6837 1 . GLY 94 94 6837 1 . SER 95 95 6837 1 . GLY 96 96 6837 1 . SER 97 97 6837 1 . ASN 98 98 6837 1 . LEU 99 99 6837 1 . PRO 100 100 6837 1 . SER 101 101 6837 1 . ASP 102 102 6837 1 . ALA 103 103 6837 1 . VAL 104 104 6837 1 . GLN 105 105 6837 1 . ARG 106 106 6837 1 . ALA 107 107 6837 1 . LYS 108 108 6837 1 . GLU 109 109 6837 1 . VAL 110 110 6837 1 . LEU 111 111 6837 1 . GLU 112 112 6837 1 . GLU 113 113 6837 1 . ILE 114 114 6837 1 . SER 115 115 6837 1 . CYS 116 116 6837 1 . TYR 117 117 6837 1 . PRO 118 118 6837 1 . GLU 119 119 6837 1 . ASN 120 120 6837 1 . ASN 121 121 6837 1 . ASP 122 122 6837 1 . ALA 123 123 6837 1 . LYS 124 124 6837 1 . GLU 125 125 6837 1 . LEU 126 126 6837 1 . LYS 127 127 6837 1 . ARG 128 128 6837 1 . ILE 129 129 6837 1 . LEU 130 130 6837 1 . THR 131 131 6837 1 . GLN 132 132 6837 1 . PRO 133 133 6837 1 . HIS 134 134 6837 1 . PHE 135 135 6837 1 . MET 136 136 6837 1 . ALA 137 137 6837 1 . LEU 138 138 6837 1 . LEU 139 139 6837 1 . GLN 140 140 6837 1 . THR 141 141 6837 1 . HIS 142 142 6837 1 . ASP 143 143 6837 1 . VAL 144 144 6837 1 . VAL 145 145 6837 1 . ALA 146 146 6837 1 . HIS 147 147 6837 1 . GLU 148 148 6837 1 . VAL 149 149 6837 1 . TYR 150 150 6837 1 . SER 151 151 6837 1 . ASP 152 152 6837 1 . GLU 153 153 6837 1 . ALA 154 154 6837 1 . LEU 155 155 6837 1 . ARG 156 156 6837 1 . VAL 157 157 6837 1 . THR 158 158 6837 1 . PRO 159 159 6837 1 . PRO 160 160 6837 1 . PRO 161 161 6837 1 . THR 162 162 6837 1 . SER 163 163 6837 1 . PRO 164 164 6837 1 stop_ loop_ _Entity_chimera_segment.ID _Entity_chimera_segment.Comp_index_ID_begin _Entity_chimera_segment.Comp_index_ID_end _Entity_chimera_segment.Seq_ID_begin _Entity_chimera_segment.Seq_ID_end _Entity_chimera_segment.Details _Entity_chimera_segment.Entry_ID _Entity_chimera_segment.Entity_ID 1 1 23 1 23 'purification tag' 6837 1 2 24 89 24 89 'dimerization unit' 6837 1 3 90 97 90 97 linker 6837 1 4 98 164 98 164 'dimerization unit' 6837 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6837 _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 $construct 2 6239 organism yes . 'Caenorhabditis elegans' Worm . Eukaryota Metazoa Caenorhabditis elegans . . . vulva . . . . . . . . . . . . . . . . . 6837 1 2 1 $construct 4 9606 organism yes . 'Homo sapiens' Human . Eukaryota Metazoa Homo sapiens . . . brain neuron . . . . . . . . . . . . . . . . 6837 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 6837 _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 $construct . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6837 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6837 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 construct . . . 1 $construct . protein 2 . . mM . . . . 6837 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6837 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 construct [U-15N] . . 1 $construct . protein 2 . . mM . . . . 6837 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6837 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 construct [U-13C] . . 1 $construct . protein 2 . . mM . . . . 6837 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6837 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 construct '[U-13C; U-15N]' . . 1 $construct . protein 2 . . mM . . . . 6837 4 2 HEPES . . . . . . . 20 . . mM . . . . 6837 4 3 TCEP . . . . . . . 0.5 . . mM . . . . 6837 4 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6837 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20mM HEPES, pH 8.0, with 0.5 mM Tris(2-carboxyethyl) phophine hydrochloride (TCEP)' 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' 20 1 mM 6837 1 pH 8 .05 pH 6837 1 temperature 298 .1 K 6837 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6837 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz _NMR_spectrometer.Entry_ID 6837 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_500MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz _NMR_spectrometer.Entry_ID 6837 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6837 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $500MHz . . . . . . . . . . . . . . . . 6837 1 2 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 6837 1 3 HN(CO)CACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 6837 1 4 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 6837 1 5 CCCONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 6837 1 6 HCCCONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 6837 1 7 sample_1-NOESY-TROSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 6837 1 8 13C-NOESY-HSQC no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 6837 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6837 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $500MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 6837 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN(CO)CACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CO)CACB _NMR_spec_expt.Entry_ID 6837 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CO)CACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 6837 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CCCONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CCCONH _NMR_spec_expt.Entry_ID 6837 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CCCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCCONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCCONH _NMR_spec_expt.Entry_ID 6837 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6837 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6837 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6837 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6837 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6837 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 HNCO 1 $sample_1 isotropic 6837 1 3 HN(CO)CACB 1 $sample_1 isotropic 6837 1 4 HNCACB 1 $sample_1 isotropic 6837 1 5 CCCONH 1 $sample_1 isotropic 6837 1 6 HCCCONH 1 $sample_1 isotropic 6837 1 7 sample_1-NOESY-TROSY 1 $sample_1 isotropic 6837 1 8 13C-NOESY-HSQC 2 $sample_2 isotropic 6837 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 $XWINNMR . . 6837 1 1 $XWINNMR . . 6837 1 1 $XWINNMR . . 6837 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 9 9 ASP H H 1 8.323 0.01 . . . . . . 9 ASP H . 6837 1 2 . 1 1 9 9 ASP C C 13 175.792 0.1 . . . . . . 9 ASP C . 6837 1 3 . 1 1 9 9 ASP CA C 13 54.230 0.1 . . . . . . 9 ASP CA . 6837 1 4 . 1 1 9 9 ASP CB C 13 40.566 0.1 . . . . . . 9 ASP CB . 6837 1 5 . 1 1 9 9 ASP N N 15 118.905 0.1 . . . . . . 9 ASP N . 6837 1 6 . 1 1 10 10 TYR H H 1 7.935 0.01 . . . . . . 10 TYR H . 6837 1 7 . 1 1 10 10 TYR HA H 1 4.533 0.01 . . . . . . 10 TYR HA . 6837 1 8 . 1 1 10 10 TYR HB2 H 1 3.081 0.01 . . . . . . 10 TYR HB2 . 6837 1 9 . 1 1 10 10 TYR HB3 H 1 3.000 0.01 . . . . . . 10 TYR HB3 . 6837 1 10 . 1 1 10 10 TYR HD1 H 1 7.082 0.01 . . . . . . 10 TYR HD1 . 6837 1 11 . 1 1 10 10 TYR HE1 H 1 6.854 0.01 . . . . . . 10 TYR HE1 . 6837 1 12 . 1 1 10 10 TYR C C 13 175.360 0.1 . . . . . . 10 TYR C . 6837 1 13 . 1 1 10 10 TYR CA C 13 57.042 0.1 . . . . . . 10 TYR CA . 6837 1 14 . 1 1 10 10 TYR CD1 C 13 133.039 0.1 . . . . . . 10 TYR CD1 . 6837 1 15 . 1 1 10 10 TYR CE1 C 13 118.013 0.1 . . . . . . 10 TYR CE1 . 6837 1 16 . 1 1 10 10 TYR N N 15 118.814 0.1 . . . . . . 10 TYR N . 6837 1 17 . 1 1 11 11 ASP H H 1 8.245 0.01 . . . . . . 11 ASP H . 6837 1 18 . 1 1 11 11 ASP HA H 1 4.520 0.01 . . . . . . 11 ASP HA . 6837 1 19 . 1 1 11 11 ASP HB2 H 1 2.567 0.01 . . . . . . 11 ASP HB2 . 6837 1 20 . 1 1 11 11 ASP HB3 H 1 2.484 0.01 . . . . . . 11 ASP HB3 . 6837 1 21 . 1 1 11 11 ASP C C 13 175.413 0.1 . . . . . . 11 ASP C . 6837 1 22 . 1 1 11 11 ASP CA C 13 53.872 0.1 . . . . . . 11 ASP CA . 6837 1 23 . 1 1 11 11 ASP CB C 13 40.412 0.1 . . . . . . 11 ASP CB . 6837 1 24 . 1 1 11 11 ASP N N 15 121.406 0.1 . . . . . . 11 ASP N . 6837 1 25 . 1 1 12 12 ILE H H 1 7.898 0.01 . . . . . . 12 ILE H . 6837 1 26 . 1 1 12 12 ILE HA H 1 4.397 0.01 . . . . . . 12 ILE HA . 6837 1 27 . 1 1 12 12 ILE HB H 1 1.835 0.01 . . . . . . 12 ILE HB . 6837 1 28 . 1 1 12 12 ILE HG12 H 1 1.472 0.01 . . . . . . 12 ILE HG12 . 6837 1 29 . 1 1 12 12 ILE HG13 H 1 1.104 0.01 . . . . . . 12 ILE HG13 . 6837 1 30 . 1 1 12 12 ILE HD11 H 1 0.804 0.01 . . . . . . 12 ILE HD1 . 6837 1 31 . 1 1 12 12 ILE HD12 H 1 0.804 0.01 . . . . . . 12 ILE HD1 . 6837 1 32 . 1 1 12 12 ILE HD13 H 1 0.804 0.01 . . . . . . 12 ILE HD1 . 6837 1 33 . 1 1 12 12 ILE CA C 13 58.262 0.1 . . . . . . 12 ILE CA . 6837 1 34 . 1 1 12 12 ILE CB C 13 37.827 0.1 . . . . . . 12 ILE CB . 6837 1 35 . 1 1 12 12 ILE CG1 C 13 27.002 0.1 . . . . . . 12 ILE CG1 . 6837 1 36 . 1 1 12 12 ILE CD1 C 13 13.433 0.1 . . . . . . 12 ILE CD1 . 6837 1 37 . 1 1 12 12 ILE N N 15 122.097 0.1 . . . . . . 12 ILE N . 6837 1 38 . 1 1 13 13 PRO C C 13 175.529 0.1 . . . . . . 13 PRO C . 6837 1 39 . 1 1 13 13 PRO CA C 13 61.864 0.1 . . . . . . 13 PRO CA . 6837 1 40 . 1 1 14 14 THR H H 1 8.116 0.01 . . . . . . 14 THR H . 6837 1 41 . 1 1 14 14 THR HA H 1 4.370 0.01 . . . . . . 14 THR HA . 6837 1 42 . 1 1 14 14 THR HB H 1 4.224 0.01 . . . . . . 14 THR HB . 6837 1 43 . 1 1 14 14 THR HG21 H 1 1.179 0.01 . . . . . . 14 THR HG2 . 6837 1 44 . 1 1 14 14 THR HG22 H 1 1.179 0.01 . . . . . . 14 THR HG2 . 6837 1 45 . 1 1 14 14 THR HG23 H 1 1.179 0.01 . . . . . . 14 THR HG2 . 6837 1 46 . 1 1 14 14 THR C C 13 174.019 0.1 . . . . . . 14 THR C . 6837 1 47 . 1 1 14 14 THR CA C 13 63.208 0.1 . . . . . . 14 THR CA . 6837 1 48 . 1 1 14 14 THR CB C 13 68.953 0.1 . . . . . . 14 THR CB . 6837 1 49 . 1 1 14 14 THR CG2 C 13 20.648 0.1 . . . . . . 14 THR CG2 . 6837 1 50 . 1 1 14 14 THR N N 15 116.926 0.1 . . . . . . 14 THR N . 6837 1 51 . 1 1 15 15 THR H H 1 8.102 0.01 . . . . . . 15 THR H . 6837 1 52 . 1 1 15 15 THR HA H 1 4.207 0.01 . . . . . . 15 THR HA . 6837 1 53 . 1 1 15 15 THR HB H 1 4.082 0.01 . . . . . . 15 THR HB . 6837 1 54 . 1 1 15 15 THR HG21 H 1 1.298 0.01 . . . . . . 15 THR HG2 . 6837 1 55 . 1 1 15 15 THR HG22 H 1 1.298 0.01 . . . . . . 15 THR HG2 . 6837 1 56 . 1 1 15 15 THR HG23 H 1 1.298 0.01 . . . . . . 15 THR HG2 . 6837 1 57 . 1 1 15 15 THR C C 13 174.699 0.1 . . . . . . 15 THR C . 6837 1 58 . 1 1 15 15 THR CA C 13 60.236 0.1 . . . . . . 15 THR CA . 6837 1 59 . 1 1 15 15 THR CB C 13 68.755 0.1 . . . . . . 15 THR CB . 6837 1 60 . 1 1 15 15 THR CG2 C 13 20.088 0.1 . . . . . . 15 THR CG2 . 6837 1 61 . 1 1 15 15 THR N N 15 123.201 0.1 . . . . . . 15 THR N . 6837 1 62 . 1 1 16 16 GLU H H 1 8.361 0.01 . . . . . . 16 GLU H . 6837 1 63 . 1 1 16 16 GLU HA H 1 4.243 0.01 . . . . . . 16 GLU HA . 6837 1 64 . 1 1 16 16 GLU HB2 H 1 2.035 0.01 . . . . . . 16 GLU HB2 . 6837 1 65 . 1 1 16 16 GLU HB3 H 1 1.912 0.01 . . . . . . 16 GLU HB3 . 6837 1 66 . 1 1 16 16 GLU HG2 H 1 2.228 0.01 . . . . . . 16 GLU HG2 . 6837 1 67 . 1 1 16 16 GLU C C 13 176.111 0.1 . . . . . . 16 GLU C . 6837 1 68 . 1 1 16 16 GLU CA C 13 56.250 0.1 . . . . . . 16 GLU CA . 6837 1 69 . 1 1 16 16 GLU N N 15 122.454 0.1 . . . . . . 16 GLU N . 6837 1 70 . 1 1 17 17 ASN H H 1 8.336 0.01 . . . . . . 17 ASN H . 6837 1 71 . 1 1 17 17 ASN HA H 1 4.632 0.01 . . . . . . 17 ASN HA . 6837 1 72 . 1 1 17 17 ASN HB2 H 1 2.793 0.01 . . . . . . 17 ASN HB2 . 6837 1 73 . 1 1 17 17 ASN HB3 H 1 2.704 0.01 . . . . . . 17 ASN HB3 . 6837 1 74 . 1 1 17 17 ASN HD21 H 1 7.598 0.01 . . . . . . 17 ASN HD21 . 6837 1 75 . 1 1 17 17 ASN HD22 H 1 7.264 0.01 . . . . . . 17 ASN HD22 . 6837 1 76 . 1 1 17 17 ASN C C 13 175.029 0.1 . . . . . . 17 ASN C . 6837 1 77 . 1 1 17 17 ASN CA C 13 52.485 0.1 . . . . . . 17 ASN CA . 6837 1 78 . 1 1 17 17 ASN N N 15 118.814 0.1 . . . . . . 17 ASN N . 6837 1 79 . 1 1 17 17 ASN ND2 N 15 112.968 0.1 . . . . . . 17 ASN ND2 . 6837 1 80 . 1 1 18 18 LEU H H 1 8.065 0.01 . . . . . . 18 LEU H . 6837 1 81 . 1 1 18 18 LEU HA H 1 4.181 0.01 . . . . . . 18 LEU HA . 6837 1 82 . 1 1 18 18 LEU HB2 H 1 1.460 0.01 . . . . . . 18 LEU HB2 . 6837 1 83 . 1 1 18 18 LEU HB3 H 1 1.334 0.01 . . . . . . 18 LEU HB3 . 6837 1 84 . 1 1 18 18 LEU HG H 1 0.838 0.01 . . . . . . 18 LEU HG . 6837 1 85 . 1 1 18 18 LEU HD11 H 1 0.844 0.01 . . . . . . 18 LEU HD1 . 6837 1 86 . 1 1 18 18 LEU HD12 H 1 0.844 0.01 . . . . . . 18 LEU HD1 . 6837 1 87 . 1 1 18 18 LEU HD13 H 1 0.844 0.01 . . . . . . 18 LEU HD1 . 6837 1 88 . 1 1 18 18 LEU HD21 H 1 0.773 0.01 . . . . . . 18 LEU HD2 . 6837 1 89 . 1 1 18 18 LEU HD22 H 1 0.773 0.01 . . . . . . 18 LEU HD2 . 6837 1 90 . 1 1 18 18 LEU HD23 H 1 0.773 0.01 . . . . . . 18 LEU HD2 . 6837 1 91 . 1 1 18 18 LEU C C 13 177.021 0.1 . . . . . . 18 LEU C . 6837 1 92 . 1 1 18 18 LEU CA C 13 54.874 0.1 . . . . . . 18 LEU CA . 6837 1 93 . 1 1 18 18 LEU CG C 13 26.160 0.1 . . . . . . 18 LEU CG . 6837 1 94 . 1 1 18 18 LEU CD1 C 13 24.054 0.1 . . . . . . 18 LEU CD1 . 6837 1 95 . 1 1 18 18 LEU CD2 C 13 22.490 0.1 . . . . . . 18 LEU CD2 . 6837 1 96 . 1 1 18 18 LEU N N 15 122.183 0.1 . . . . . . 18 LEU N . 6837 1 97 . 1 1 19 19 TYR H H 1 8.017 0.01 . . . . . . 19 TYR H . 6837 1 98 . 1 1 19 19 TYR HA H 1 4.493 0.01 . . . . . . 19 TYR HA . 6837 1 99 . 1 1 19 19 TYR HB2 H 1 2.932 0.01 . . . . . . 19 TYR HB2 . 6837 1 100 . 1 1 19 19 TYR HB3 H 1 2.844 0.01 . . . . . . 19 TYR HB3 . 6837 1 101 . 1 1 19 19 TYR HD1 H 1 6.971 0.01 . . . . . . 19 TYR HD1 . 6837 1 102 . 1 1 19 19 TYR HE1 H 1 6.712 0.01 . . . . . . 19 TYR HE1 . 6837 1 103 . 1 1 19 19 TYR C C 13 175.496 0.1 . . . . . . 19 TYR C . 6837 1 104 . 1 1 19 19 TYR CA C 13 57.264 0.1 . . . . . . 19 TYR CA . 6837 1 105 . 1 1 19 19 TYR CB C 13 37.849 0.1 . . . . . . 19 TYR CB . 6837 1 106 . 1 1 19 19 TYR N N 15 119.325 0.1 . . . . . . 19 TYR N . 6837 1 107 . 1 1 20 20 GLU H H 1 7.953 0.01 . . . . . . 20 GLU H . 6837 1 108 . 1 1 20 20 GLU HA H 1 4.492 0.01 . . . . . . 20 GLU HA . 6837 1 109 . 1 1 20 20 GLU HB2 H 1 2.939 0.01 . . . . . . 20 GLU HB2 . 6837 1 110 . 1 1 20 20 GLU HB3 H 1 2.824 0.01 . . . . . . 20 GLU HB3 . 6837 1 111 . 1 1 20 20 GLU CA C 13 58.205 0.1 . . . . . . 20 GLU CA . 6837 1 112 . 1 1 20 20 GLU CB C 13 38.726 0.1 . . . . . . 20 GLU CB . 6837 1 113 . 1 1 20 20 GLU N N 15 120.801 0.1 . . . . . . 20 GLU N . 6837 1 114 . 1 1 21 21 GLN HA H 1 4.271 0.01 . . . . . . 21 GLN HA . 6837 1 115 . 1 1 21 21 GLN HB2 H 1 2.080 0.01 . . . . . . 21 GLN HB2 . 6837 1 116 . 1 1 21 21 GLN HB3 H 1 1.915 0.01 . . . . . . 21 GLN HB3 . 6837 1 117 . 1 1 21 21 GLN HG2 H 1 2.264 0.01 . . . . . . 21 GLN HG2 . 6837 1 118 . 1 1 21 21 GLN HG3 H 1 2.318 0.01 . . . . . . 21 GLN HG3 . 6837 1 119 . 1 1 21 21 GLN C C 13 175.872 0.1 . . . . . . 21 GLN C . 6837 1 120 . 1 1 21 21 GLN CA C 13 55.259 0.1 . . . . . . 21 GLN CA . 6837 1 121 . 1 1 21 21 GLN CG C 13 35.096 0.1 . . . . . . 21 GLN CG . 6837 1 122 . 1 1 22 22 GLY H H 1 7.883 0.01 . . . . . . 22 GLY H . 6837 1 123 . 1 1 22 22 GLY HA2 H 1 3.964 0.01 . . . . . . 22 GLY HA2 . 6837 1 124 . 1 1 22 22 GLY C C 13 173.575 0.1 . . . . . . 22 GLY C . 6837 1 125 . 1 1 22 22 GLY CA C 13 44.969 0.1 . . . . . . 22 GLY CA . 6837 1 126 . 1 1 22 22 GLY N N 15 107.931 0.1 . . . . . . 22 GLY N . 6837 1 127 . 1 1 23 23 SER H H 1 8.181 0.01 . . . . . . 23 SER H . 6837 1 128 . 1 1 23 23 SER HA H 1 4.310 0.01 . . . . . . 23 SER HA . 6837 1 129 . 1 1 23 23 SER HB2 H 1 3.897 0.01 . . . . . . 23 SER HB2 . 6837 1 130 . 1 1 23 23 SER C C 13 173.105 0.1 . . . . . . 23 SER C . 6837 1 131 . 1 1 23 23 SER CA C 13 55.655 0.1 . . . . . . 23 SER CA . 6837 1 132 . 1 1 23 23 SER CB C 13 66.891 0.1 . . . . . . 23 SER CB . 6837 1 133 . 1 1 23 23 SER N N 15 116.396 0.1 . . . . . . 23 SER N . 6837 1 134 . 1 1 24 24 LEU H H 1 8.276 0.01 . . . . . . 24 LEU H . 6837 1 135 . 1 1 24 24 LEU HD11 H 1 1.374 0.01 . . . . . . 24 LEU HD1 . 6837 1 136 . 1 1 24 24 LEU HD12 H 1 1.374 0.01 . . . . . . 24 LEU HD1 . 6837 1 137 . 1 1 24 24 LEU HD13 H 1 1.374 0.01 . . . . . . 24 LEU HD1 . 6837 1 138 . 1 1 24 24 LEU CA C 13 52.433 0.1 . . . . . . 24 LEU CA . 6837 1 139 . 1 1 24 24 LEU CB C 13 39.859 0.1 . . . . . . 24 LEU CB . 6837 1 140 . 1 1 24 24 LEU N N 15 121.799 0.1 . . . . . . 24 LEU N . 6837 1 141 . 1 1 25 25 ASN H H 1 8.477 0.01 . . . . . . 25 ASN H . 6837 1 142 . 1 1 25 25 ASN HA H 1 4.006 0.01 . . . . . . 25 ASN HA . 6837 1 143 . 1 1 25 25 ASN HB2 H 1 2.146 0.01 . . . . . . 25 ASN HB2 . 6837 1 144 . 1 1 25 25 ASN HD21 H 1 7.970 0.01 . . . . . . 25 ASN HD21 . 6837 1 145 . 1 1 25 25 ASN HD22 H 1 6.832 0.01 . . . . . . 25 ASN HD22 . 6837 1 146 . 1 1 25 25 ASN C C 13 175.196 0.1 . . . . . . 25 ASN C . 6837 1 147 . 1 1 25 25 ASN CB C 13 41.019 0.1 . . . . . . 25 ASN CB . 6837 1 148 . 1 1 25 25 ASN N N 15 119.752 0.1 . . . . . . 25 ASN N . 6837 1 149 . 1 1 25 25 ASN ND2 N 15 112.279 0.1 . . . . . . 25 ASN ND2 . 6837 1 150 . 1 1 26 26 LEU H H 1 8.449 0.01 . . . . . . 26 LEU H . 6837 1 151 . 1 1 26 26 LEU HA H 1 3.773 0.01 . . . . . . 26 LEU HA . 6837 1 152 . 1 1 26 26 LEU HB2 H 1 1.516 0.01 . . . . . . 26 LEU HB2 . 6837 1 153 . 1 1 26 26 LEU HG H 1 0.984 0.01 . . . . . . 26 LEU HG . 6837 1 154 . 1 1 26 26 LEU HD11 H 1 0.552 0.01 . . . . . . 26 LEU HD1 . 6837 1 155 . 1 1 26 26 LEU HD12 H 1 0.552 0.01 . . . . . . 26 LEU HD1 . 6837 1 156 . 1 1 26 26 LEU HD13 H 1 0.552 0.01 . . . . . . 26 LEU HD1 . 6837 1 157 . 1 1 26 26 LEU HD21 H 1 0.581 0.01 . . . . . . 26 LEU HD2 . 6837 1 158 . 1 1 26 26 LEU HD22 H 1 0.581 0.01 . . . . . . 26 LEU HD2 . 6837 1 159 . 1 1 26 26 LEU HD23 H 1 0.581 0.01 . . . . . . 26 LEU HD2 . 6837 1 160 . 1 1 26 26 LEU C C 13 178.504 0.1 . . . . . . 26 LEU C . 6837 1 161 . 1 1 26 26 LEU CA C 13 57.529 0.1 . . . . . . 26 LEU CA . 6837 1 162 . 1 1 26 26 LEU CB C 13 41.172 0.1 . . . . . . 26 LEU CB . 6837 1 163 . 1 1 26 26 LEU CG C 13 25.420 0.1 . . . . . . 26 LEU CG . 6837 1 164 . 1 1 26 26 LEU CD1 C 13 23.670 0.1 . . . . . . 26 LEU CD1 . 6837 1 165 . 1 1 26 26 LEU CD2 C 13 22.312 0.1 . . . . . . 26 LEU CD2 . 6837 1 166 . 1 1 26 26 LEU N N 15 119.851 0.1 . . . . . . 26 LEU N . 6837 1 167 . 1 1 27 27 GLU H H 1 8.607 0.01 . . . . . . 27 GLU H . 6837 1 168 . 1 1 27 27 GLU HA H 1 3.834 0.01 . . . . . . 27 GLU HA . 6837 1 169 . 1 1 27 27 GLU HB2 H 1 2.037 0.01 . . . . . . 27 GLU HB2 . 6837 1 170 . 1 1 27 27 GLU HG2 H 1 2.282 0.01 . . . . . . 27 GLU HG2 . 6837 1 171 . 1 1 27 27 GLU HG3 H 1 2.391 0.01 . . . . . . 27 GLU HG3 . 6837 1 172 . 1 1 27 27 GLU C C 13 178.927 0.1 . . . . . . 27 GLU C . 6837 1 173 . 1 1 27 27 GLU CA C 13 59.840 0.1 . . . . . . 27 GLU CA . 6837 1 174 . 1 1 27 27 GLU CB C 13 27.216 0.1 . . . . . . 27 GLU CB . 6837 1 175 . 1 1 27 27 GLU N N 15 120.715 0.1 . . . . . . 27 GLU N . 6837 1 176 . 1 1 28 28 ARG H H 1 7.883 0.01 . . . . . . 28 ARG H . 6837 1 177 . 1 1 28 28 ARG HA H 1 4.024 0.01 . . . . . . 28 ARG HA . 6837 1 178 . 1 1 28 28 ARG HB2 H 1 1.927 0.01 . . . . . . 28 ARG HB2 . 6837 1 179 . 1 1 28 28 ARG HB3 H 1 1.852 0.01 . . . . . . 28 ARG HB3 . 6837 1 180 . 1 1 28 28 ARG HG2 H 1 1.532 0.01 . . . . . . 28 ARG HG2 . 6837 1 181 . 1 1 28 28 ARG HD2 H 1 2.712 0.01 . . . . . . 28 ARG HD2 . 6837 1 182 . 1 1 28 28 ARG C C 13 178.962 0.1 . . . . . . 28 ARG C . 6837 1 183 . 1 1 28 28 ARG CA C 13 57.462 0.1 . . . . . . 28 ARG CA . 6837 1 184 . 1 1 28 28 ARG CG C 13 26.502 0.1 . . . . . . 28 ARG CG . 6837 1 185 . 1 1 28 28 ARG CD C 13 42.604 0.1 . . . . . . 28 ARG CD . 6837 1 186 . 1 1 28 28 ARG N N 15 118.642 0.1 . . . . . . 28 ARG N . 6837 1 187 . 1 1 29 29 ASP H H 1 8.049 0.01 . . . . . . 29 ASP H . 6837 1 188 . 1 1 29 29 ASP HA H 1 4.429 0.01 . . . . . . 29 ASP HA . 6837 1 189 . 1 1 29 29 ASP HB2 H 1 3.032 0.01 . . . . . . 29 ASP HB2 . 6837 1 190 . 1 1 29 29 ASP HB3 H 1 2.349 0.01 . . . . . . 29 ASP HB3 . 6837 1 191 . 1 1 29 29 ASP C C 13 178.364 0.1 . . . . . . 29 ASP C . 6837 1 192 . 1 1 29 29 ASP CA C 13 57.462 0.1 . . . . . . 29 ASP CA . 6837 1 193 . 1 1 29 29 ASP CB C 13 40.028 0.1 . . . . . . 29 ASP CB . 6837 1 194 . 1 1 29 29 ASP N N 15 120.931 0.1 . . . . . . 29 ASP N . 6837 1 195 . 1 1 30 30 VAL H H 1 8.497 0.01 . . . . . . 30 VAL H . 6837 1 196 . 1 1 30 30 VAL HA H 1 3.587 0.01 . . . . . . 30 VAL HA . 6837 1 197 . 1 1 30 30 VAL HB H 1 2.398 0.01 . . . . . . 30 VAL HB . 6837 1 198 . 1 1 30 30 VAL HG11 H 1 1.417 0.01 . . . . . . 30 VAL HG1 . 6837 1 199 . 1 1 30 30 VAL HG12 H 1 1.417 0.01 . . . . . . 30 VAL HG1 . 6837 1 200 . 1 1 30 30 VAL HG13 H 1 1.417 0.01 . . . . . . 30 VAL HG1 . 6837 1 201 . 1 1 30 30 VAL HG21 H 1 1.083 0.01 . . . . . . 30 VAL HG2 . 6837 1 202 . 1 1 30 30 VAL HG22 H 1 1.083 0.01 . . . . . . 30 VAL HG2 . 6837 1 203 . 1 1 30 30 VAL HG23 H 1 1.083 0.01 . . . . . . 30 VAL HG2 . 6837 1 204 . 1 1 30 30 VAL C C 13 177.327 0.1 . . . . . . 30 VAL C . 6837 1 205 . 1 1 30 30 VAL CA C 13 67.170 0.1 . . . . . . 30 VAL CA . 6837 1 206 . 1 1 30 30 VAL CB C 13 30.296 0.1 . . . . . . 30 VAL CB . 6837 1 207 . 1 1 30 30 VAL CG1 C 13 23.813 0.1 . . . . . . 30 VAL CG1 . 6837 1 208 . 1 1 30 30 VAL CG2 C 13 21.875 0.1 . . . . . . 30 VAL CG2 . 6837 1 209 . 1 1 30 30 VAL N N 15 118.901 0.1 . . . . . . 30 VAL N . 6837 1 210 . 1 1 31 31 GLN H H 1 7.726 0.01 . . . . . . 31 GLN H . 6837 1 211 . 1 1 31 31 GLN HA H 1 3.974 0.01 . . . . . . 31 GLN HA . 6837 1 212 . 1 1 31 31 GLN HB2 H 1 2.194 0.01 . . . . . . 31 GLN HB2 . 6837 1 213 . 1 1 31 31 GLN HB3 H 1 2.128 0.01 . . . . . . 31 GLN HB3 . 6837 1 214 . 1 1 31 31 GLN HG2 H 1 2.529 0.01 . . . . . . 31 GLN HG2 . 6837 1 215 . 1 1 31 31 GLN HG3 H 1 2.386 0.01 . . . . . . 31 GLN HG3 . 6837 1 216 . 1 1 31 31 GLN HE21 H 1 7.620 0.01 . . . . . . 31 GLN HE21 . 6837 1 217 . 1 1 31 31 GLN HE22 H 1 6.762 0.01 . . . . . . 31 GLN HE22 . 6837 1 218 . 1 1 31 31 GLN C C 13 179.066 0.1 . . . . . . 31 GLN C . 6837 1 219 . 1 1 31 31 GLN CA C 13 58.651 0.1 . . . . . . 31 GLN CA . 6837 1 220 . 1 1 31 31 GLN N N 15 116.223 0.1 . . . . . . 31 GLN N . 6837 1 221 . 1 1 31 31 GLN NE2 N 15 111.505 0.1 . . . . . . 31 GLN NE2 . 6837 1 222 . 1 1 32 32 ARG H H 1 8.495 0.01 . . . . . . 32 ARG H . 6837 1 223 . 1 1 32 32 ARG HA H 1 4.147 0.01 . . . . . . 32 ARG HA . 6837 1 224 . 1 1 32 32 ARG HB2 H 1 2.207 0.01 . . . . . . 32 ARG HB2 . 6837 1 225 . 1 1 32 32 ARG HB3 H 1 2.149 0.01 . . . . . . 32 ARG HB3 . 6837 1 226 . 1 1 32 32 ARG HG2 H 1 1.744 0.01 . . . . . . 32 ARG HG2 . 6837 1 227 . 1 1 32 32 ARG HG3 H 1 1.562 0.01 . . . . . . 32 ARG HG3 . 6837 1 228 . 1 1 32 32 ARG HD2 H 1 3.429 0.01 . . . . . . 32 ARG HD2 . 6837 1 229 . 1 1 32 32 ARG HD3 H 1 3.072 0.01 . . . . . . 32 ARG HD3 . 6837 1 230 . 1 1 32 32 ARG C C 13 178.462 0.1 . . . . . . 32 ARG C . 6837 1 231 . 1 1 32 32 ARG CA C 13 57.264 0.1 . . . . . . 32 ARG CA . 6837 1 232 . 1 1 32 32 ARG CG C 13 26.160 0.1 . . . . . . 32 ARG CG . 6837 1 233 . 1 1 32 32 ARG CD C 13 42.194 0.1 . . . . . . 32 ARG CD . 6837 1 234 . 1 1 32 32 ARG N N 15 119.937 0.1 . . . . . . 32 ARG N . 6837 1 235 . 1 1 33 33 ILE H H 1 8.577 0.01 . . . . . . 33 ILE H . 6837 1 236 . 1 1 33 33 ILE HA H 1 3.426 0.01 . . . . . . 33 ILE HA . 6837 1 237 . 1 1 33 33 ILE HB H 1 1.925 0.01 . . . . . . 33 ILE HB . 6837 1 238 . 1 1 33 33 ILE HG12 H 1 1.680 0.01 . . . . . . 33 ILE HG12 . 6837 1 239 . 1 1 33 33 ILE HG21 H 1 0.722 0.01 . . . . . . 33 ILE HG2 . 6837 1 240 . 1 1 33 33 ILE HG22 H 1 0.722 0.01 . . . . . . 33 ILE HG2 . 6837 1 241 . 1 1 33 33 ILE HG23 H 1 0.722 0.01 . . . . . . 33 ILE HG2 . 6837 1 242 . 1 1 33 33 ILE HD11 H 1 0.155 0.01 . . . . . . 33 ILE HD1 . 6837 1 243 . 1 1 33 33 ILE HD12 H 1 0.155 0.01 . . . . . . 33 ILE HD1 . 6837 1 244 . 1 1 33 33 ILE HD13 H 1 0.155 0.01 . . . . . . 33 ILE HD1 . 6837 1 245 . 1 1 33 33 ILE C C 13 177.852 0.1 . . . . . . 33 ILE C . 6837 1 246 . 1 1 33 33 ILE CA C 13 65.189 0.1 . . . . . . 33 ILE CA . 6837 1 247 . 1 1 33 33 ILE CB C 13 36.858 0.1 . . . . . . 33 ILE CB . 6837 1 248 . 1 1 33 33 ILE CG1 C 13 29.330 0.1 . . . . . . 33 ILE CG1 . 6837 1 249 . 1 1 33 33 ILE CG2 C 13 21.710 0.1 . . . . . . 33 ILE CG2 . 6837 1 250 . 1 1 33 33 ILE CD1 C 13 15.468 0.1 . . . . . . 33 ILE CD1 . 6837 1 251 . 1 1 33 33 ILE N N 15 119.765 0.1 . . . . . . 33 ILE N . 6837 1 252 . 1 1 34 34 LEU H H 1 8.006 0.01 . . . . . . 34 LEU H . 6837 1 253 . 1 1 34 34 LEU HA H 1 3.905 0.01 . . . . . . 34 LEU HA . 6837 1 254 . 1 1 34 34 LEU HB2 H 1 2.000 0.01 . . . . . . 34 LEU HB2 . 6837 1 255 . 1 1 34 34 LEU HB3 H 1 1.456 0.01 . . . . . . 34 LEU HB3 . 6837 1 256 . 1 1 34 34 LEU HG H 1 1.733 0.01 . . . . . . 34 LEU HG . 6837 1 257 . 1 1 34 34 LEU HD11 H 1 0.843 0.01 . . . . . . 34 LEU HD1 . 6837 1 258 . 1 1 34 34 LEU HD12 H 1 0.843 0.01 . . . . . . 34 LEU HD1 . 6837 1 259 . 1 1 34 34 LEU HD13 H 1 0.843 0.01 . . . . . . 34 LEU HD1 . 6837 1 260 . 1 1 34 34 LEU HD21 H 1 0.793 0.01 . . . . . . 34 LEU HD2 . 6837 1 261 . 1 1 34 34 LEU HD22 H 1 0.793 0.01 . . . . . . 34 LEU HD2 . 6837 1 262 . 1 1 34 34 LEU HD23 H 1 0.793 0.01 . . . . . . 34 LEU HD2 . 6837 1 263 . 1 1 34 34 LEU C C 13 179.977 0.1 . . . . . . 34 LEU C . 6837 1 264 . 1 1 34 34 LEU CA C 13 57.835 0.1 . . . . . . 34 LEU CA . 6837 1 265 . 1 1 34 34 LEU CB C 13 40.400 0.1 . . . . . . 34 LEU CB . 6837 1 266 . 1 1 34 34 LEU CG C 13 23.000 0.1 . . . . . . 34 LEU CG . 6837 1 267 . 1 1 34 34 LEU CD1 C 13 24.280 0.1 . . . . . . 34 LEU CD1 . 6837 1 268 . 1 1 34 34 LEU N N 15 118.728 0.1 . . . . . . 34 LEU N . 6837 1 269 . 1 1 35 35 GLU H H 1 7.960 0.01 . . . . . . 35 GLU H . 6837 1 270 . 1 1 35 35 GLU HA H 1 4.021 0.01 . . . . . . 35 GLU HA . 6837 1 271 . 1 1 35 35 GLU HB2 H 1 1.752 0.01 . . . . . . 35 GLU HB2 . 6837 1 272 . 1 1 35 35 GLU HG2 H 1 2.370 0.01 . . . . . . 35 GLU HG2 . 6837 1 273 . 1 1 35 35 GLU HG3 H 1 2.092 0.01 . . . . . . 35 GLU HG3 . 6837 1 274 . 1 1 35 35 GLU C C 13 179.126 0.1 . . . . . . 35 GLU C . 6837 1 275 . 1 1 35 35 GLU CA C 13 58.255 0.1 . . . . . . 35 GLU CA . 6837 1 276 . 1 1 35 35 GLU CB C 13 28.339 0.1 . . . . . . 35 GLU CB . 6837 1 277 . 1 1 35 35 GLU N N 15 120.715 0.1 . . . . . . 35 GLU N . 6837 1 278 . 1 1 36 36 LEU H H 1 8.703 0.01 . . . . . . 36 LEU H . 6837 1 279 . 1 1 36 36 LEU HA H 1 3.911 0.01 . . . . . . 36 LEU HA . 6837 1 280 . 1 1 36 36 LEU HB2 H 1 1.954 0.01 . . . . . . 36 LEU HB2 . 6837 1 281 . 1 1 36 36 LEU HB3 H 1 1.156 0.01 . . . . . . 36 LEU HB3 . 6837 1 282 . 1 1 36 36 LEU HD11 H 1 0.919 0.01 . . . . . . 36 LEU HD1 . 6837 1 283 . 1 1 36 36 LEU HD12 H 1 0.919 0.01 . . . . . . 36 LEU HD1 . 6837 1 284 . 1 1 36 36 LEU HD13 H 1 0.919 0.01 . . . . . . 36 LEU HD1 . 6837 1 285 . 1 1 36 36 LEU HD21 H 1 0.729 0.01 . . . . . . 36 LEU HD2 . 6837 1 286 . 1 1 36 36 LEU HD22 H 1 0.729 0.01 . . . . . . 36 LEU HD2 . 6837 1 287 . 1 1 36 36 LEU HD23 H 1 0.729 0.01 . . . . . . 36 LEU HD2 . 6837 1 288 . 1 1 36 36 LEU C C 13 179.830 0.1 . . . . . . 36 LEU C . 6837 1 289 . 1 1 36 36 LEU CA C 13 57.264 0.1 . . . . . . 36 LEU CA . 6837 1 290 . 1 1 36 36 LEU CB C 13 42.396 0.1 . . . . . . 36 LEU CB . 6837 1 291 . 1 1 36 36 LEU CG C 13 25.896 0.1 . . . . . . 36 LEU CG . 6837 1 292 . 1 1 36 36 LEU CD1 C 13 21.755 0.1 . . . . . . 36 LEU CD1 . 6837 1 293 . 1 1 36 36 LEU N N 15 119.246 0.1 . . . . . . 36 LEU N . 6837 1 294 . 1 1 37 37 MET H H 1 8.804 0.01 . . . . . . 37 MET H . 6837 1 295 . 1 1 37 37 MET HA H 1 3.758 0.01 . . . . . . 37 MET HA . 6837 1 296 . 1 1 37 37 MET HB2 H 1 2.327 0.01 . . . . . . 37 MET HB2 . 6837 1 297 . 1 1 37 37 MET HB3 H 1 1.981 0.01 . . . . . . 37 MET HB3 . 6837 1 298 . 1 1 37 37 MET HG2 H 1 3.084 0.01 . . . . . . 37 MET HG2 . 6837 1 299 . 1 1 37 37 MET HG3 H 1 1.914 0.01 . . . . . . 37 MET HG3 . 6837 1 300 . 1 1 37 37 MET HE1 H 1 1.911 0.01 . . . . . . 37 MET HE . 6837 1 301 . 1 1 37 37 MET HE2 H 1 1.911 0.01 . . . . . . 37 MET HE . 6837 1 302 . 1 1 37 37 MET HE3 H 1 1.911 0.01 . . . . . . 37 MET HE . 6837 1 303 . 1 1 37 37 MET C C 13 177.963 0.1 . . . . . . 37 MET C . 6837 1 304 . 1 1 37 37 MET CA C 13 60.632 0.1 . . . . . . 37 MET CA . 6837 1 305 . 1 1 37 37 MET CB C 13 33.094 0.1 . . . . . . 37 MET CB . 6837 1 306 . 1 1 37 37 MET CG C 13 33.267 0.1 . . . . . . 37 MET CG . 6837 1 307 . 1 1 37 37 MET N N 15 116.482 0.1 . . . . . . 37 MET N . 6837 1 308 . 1 1 38 38 GLU H H 1 7.535 0.01 . . . . . . 38 GLU H . 6837 1 309 . 1 1 38 38 GLU HA H 1 4.003 0.01 . . . . . . 38 GLU HA . 6837 1 310 . 1 1 38 38 GLU HB2 H 1 2.123 0.01 . . . . . . 38 GLU HB2 . 6837 1 311 . 1 1 38 38 GLU HG2 H 1 2.408 0.01 . . . . . . 38 GLU HG2 . 6837 1 312 . 1 1 38 38 GLU HG3 H 1 2.227 0.01 . . . . . . 38 GLU HG3 . 6837 1 313 . 1 1 38 38 GLU C C 13 179.016 0.1 . . . . . . 38 GLU C . 6837 1 314 . 1 1 38 38 GLU CA C 13 59.245 0.1 . . . . . . 38 GLU CA . 6837 1 315 . 1 1 38 38 GLU CB C 13 28.272 0.1 . . . . . . 38 GLU CB . 6837 1 316 . 1 1 38 38 GLU N N 15 119.246 0.1 . . . . . . 38 GLU N . 6837 1 317 . 1 1 39 39 HIS H H 1 7.747 0.01 . . . . . . 39 HIS H . 6837 1 318 . 1 1 39 39 HIS HA H 1 4.393 0.01 . . . . . . 39 HIS HA . 6837 1 319 . 1 1 39 39 HIS HB2 H 1 3.214 0.01 . . . . . . 39 HIS HB2 . 6837 1 320 . 1 1 39 39 HIS HB3 H 1 3.232 0.01 . . . . . . 39 HIS HB3 . 6837 1 321 . 1 1 39 39 HIS HD1 H 1 7.016 0.01 . . . . . . 39 HIS HD1 . 6837 1 322 . 1 1 39 39 HIS HE1 H 1 7.594 0.01 . . . . . . 39 HIS HE1 . 6837 1 323 . 1 1 39 39 HIS C C 13 179.245 0.1 . . . . . . 39 HIS C . 6837 1 324 . 1 1 39 39 HIS CA C 13 58.255 0.1 . . . . . . 39 HIS CA . 6837 1 325 . 1 1 39 39 HIS CB C 13 29.312 0.1 . . . . . . 39 HIS CB . 6837 1 326 . 1 1 39 39 HIS CD2 C 13 119.404 0.1 . . . . . . 39 HIS CD2 . 6837 1 327 . 1 1 39 39 HIS CE1 C 13 138.789 0.1 . . . . . . 39 HIS CE1 . 6837 1 328 . 1 1 39 39 HIS N N 15 117.087 0.1 . . . . . . 39 HIS N . 6837 1 329 . 1 1 40 40 VAL H H 1 8.382 0.01 . . . . . . 40 VAL H . 6837 1 330 . 1 1 40 40 VAL HA H 1 3.839 0.01 . . . . . . 40 VAL HA . 6837 1 331 . 1 1 40 40 VAL HB H 1 2.028 0.01 . . . . . . 40 VAL HB . 6837 1 332 . 1 1 40 40 VAL HG11 H 1 0.927 0.01 . . . . . . 40 VAL HG1 . 6837 1 333 . 1 1 40 40 VAL HG12 H 1 0.927 0.01 . . . . . . 40 VAL HG1 . 6837 1 334 . 1 1 40 40 VAL HG13 H 1 0.927 0.01 . . . . . . 40 VAL HG1 . 6837 1 335 . 1 1 40 40 VAL HG21 H 1 0.841 0.01 . . . . . . 40 VAL HG2 . 6837 1 336 . 1 1 40 40 VAL HG22 H 1 0.841 0.01 . . . . . . 40 VAL HG2 . 6837 1 337 . 1 1 40 40 VAL HG23 H 1 0.841 0.01 . . . . . . 40 VAL HG2 . 6837 1 338 . 1 1 40 40 VAL C C 13 178.995 0.1 . . . . . . 40 VAL C . 6837 1 339 . 1 1 40 40 VAL CA C 13 65.189 0.1 . . . . . . 40 VAL CA . 6837 1 340 . 1 1 40 40 VAL CG1 C 13 21.875 0.1 . . . . . . 40 VAL CG1 . 6837 1 341 . 1 1 40 40 VAL CG2 C 13 24.717 0.1 . . . . . . 40 VAL CG2 . 6837 1 342 . 1 1 40 40 VAL N N 15 119.074 0.1 . . . . . . 40 VAL N . 6837 1 343 . 1 1 41 41 GLN H H 1 8.346 0.01 . . . . . . 41 GLN H . 6837 1 344 . 1 1 41 41 GLN HA H 1 4.154 0.01 . . . . . . 41 GLN HA . 6837 1 345 . 1 1 41 41 GLN HB2 H 1 2.846 0.01 . . . . . . 41 GLN HB2 . 6837 1 346 . 1 1 41 41 GLN HG2 H 1 2.489 0.01 . . . . . . 41 GLN HG2 . 6837 1 347 . 1 1 41 41 GLN HG3 H 1 2.202 0.01 . . . . . . 41 GLN HG3 . 6837 1 348 . 1 1 41 41 GLN HE21 H 1 6.862 0.01 . . . . . . 41 GLN HE21 . 6837 1 349 . 1 1 41 41 GLN HE22 H 1 6.767 0.01 . . . . . . 41 GLN HE22 . 6837 1 350 . 1 1 41 41 GLN C C 13 178.277 0.1 . . . . . . 41 GLN C . 6837 1 351 . 1 1 41 41 GLN CA C 13 58.037 0.1 . . . . . . 41 GLN CA . 6837 1 352 . 1 1 41 41 GLN CB C 13 28.285 0.1 . . . . . . 41 GLN CB . 6837 1 353 . 1 1 41 41 GLN N N 15 120.887 0.1 . . . . . . 41 GLN N . 6837 1 354 . 1 1 41 41 GLN NE2 N 15 108.838 0.1 . . . . . . 41 GLN NE2 . 6837 1 355 . 1 1 42 42 LYS H H 1 7.554 0.01 . . . . . . 42 LYS H . 6837 1 356 . 1 1 42 42 LYS HA H 1 4.113 0.01 . . . . . . 42 LYS HA . 6837 1 357 . 1 1 42 42 LYS HB2 H 1 1.963 0.01 . . . . . . 42 LYS HB2 . 6837 1 358 . 1 1 42 42 LYS HG2 H 1 1.688 0.01 . . . . . . 42 LYS HG2 . 6837 1 359 . 1 1 42 42 LYS HG3 H 1 1.542 0.01 . . . . . . 42 LYS HG3 . 6837 1 360 . 1 1 42 42 LYS HD2 H 1 1.699 0.01 . . . . . . 42 LYS HD2 . 6837 1 361 . 1 1 42 42 LYS HZ1 H 1 2.970 0.01 . . . . . . 42 LYS HZ . 6837 1 362 . 1 1 42 42 LYS HZ2 H 1 2.970 0.01 . . . . . . 42 LYS HZ . 6837 1 363 . 1 1 42 42 LYS HZ3 H 1 2.970 0.01 . . . . . . 42 LYS HZ . 6837 1 364 . 1 1 42 42 LYS C C 13 178.198 0.1 . . . . . . 42 LYS C . 6837 1 365 . 1 1 42 42 LYS CA C 13 57.660 0.1 . . . . . . 42 LYS CA . 6837 1 366 . 1 1 42 42 LYS CG C 13 25.314 0.1 . . . . . . 42 LYS CG . 6837 1 367 . 1 1 42 42 LYS CD C 13 28.339 0.1 . . . . . . 42 LYS CD . 6837 1 368 . 1 1 42 42 LYS CE C 13 41.777 0.1 . . . . . . 42 LYS CE . 6837 1 369 . 1 1 42 42 LYS N N 15 116.482 0.1 . . . . . . 42 LYS N . 6837 1 370 . 1 1 43 43 THR H H 1 7.623 0.01 . . . . . . 43 THR H . 6837 1 371 . 1 1 43 43 THR HA H 1 4.410 0.01 . . . . . . 43 THR HA . 6837 1 372 . 1 1 43 43 THR HB H 1 4.357 0.01 . . . . . . 43 THR HB . 6837 1 373 . 1 1 43 43 THR HG21 H 1 1.273 0.01 . . . . . . 43 THR HG2 . 6837 1 374 . 1 1 43 43 THR HG22 H 1 1.273 0.01 . . . . . . 43 THR HG2 . 6837 1 375 . 1 1 43 43 THR HG23 H 1 1.273 0.01 . . . . . . 43 THR HG2 . 6837 1 376 . 1 1 43 43 THR C C 13 176.351 0.1 . . . . . . 43 THR C . 6837 1 377 . 1 1 43 43 THR CA C 13 63.208 0.1 . . . . . . 43 THR CA . 6837 1 378 . 1 1 43 43 THR CB C 13 69.151 0.1 . . . . . . 43 THR CB . 6837 1 379 . 1 1 43 43 THR CG2 C 13 21.562 0.1 . . . . . . 43 THR CG2 . 6837 1 380 . 1 1 43 43 THR N N 15 107.672 0.1 . . . . . . 43 THR N . 6837 1 381 . 1 1 44 44 GLY H H 1 7.626 0.01 . . . . . . 44 GLY H . 6837 1 382 . 1 1 44 44 GLY HA2 H 1 4.007 0.01 . . . . . . 44 GLY HA2 . 6837 1 383 . 1 1 44 44 GLY C C 13 174.422 0.1 . . . . . . 44 GLY C . 6837 1 384 . 1 1 44 44 GLY CA C 13 44.759 0.1 . . . . . . 44 GLY CA . 6837 1 385 . 1 1 44 44 GLY N N 15 107.659 0.1 . . . . . . 44 GLY N . 6837 1 386 . 1 1 45 45 GLU H H 1 7.973 0.01 . . . . . . 45 GLU H . 6837 1 387 . 1 1 45 45 GLU HA H 1 4.172 0.01 . . . . . . 45 GLU HA . 6837 1 388 . 1 1 45 45 GLU HB2 H 1 1.783 0.01 . . . . . . 45 GLU HB2 . 6837 1 389 . 1 1 45 45 GLU HB3 H 1 1.606 0.01 . . . . . . 45 GLU HB3 . 6837 1 390 . 1 1 45 45 GLU HG2 H 1 2.077 0.01 . . . . . . 45 GLU HG2 . 6837 1 391 . 1 1 45 45 GLU C C 13 176.226 0.1 . . . . . . 45 GLU C . 6837 1 392 . 1 1 45 45 GLU CA C 13 56.670 0.1 . . . . . . 45 GLU CA . 6837 1 393 . 1 1 45 45 GLU N N 15 118.728 0.1 . . . . . . 45 GLU N . 6837 1 394 . 1 1 46 46 VAL H H 1 7.816 0.01 . . . . . . 46 VAL H . 6837 1 395 . 1 1 46 46 VAL HA H 1 4.401 0.01 . . . . . . 46 VAL HA . 6837 1 396 . 1 1 46 46 VAL HB H 1 2.068 0.01 . . . . . . 46 VAL HB . 6837 1 397 . 1 1 46 46 VAL HG11 H 1 0.671 0.01 . . . . . . 46 VAL HG1 . 6837 1 398 . 1 1 46 46 VAL HG12 H 1 0.671 0.01 . . . . . . 46 VAL HG1 . 6837 1 399 . 1 1 46 46 VAL HG13 H 1 0.671 0.01 . . . . . . 46 VAL HG1 . 6837 1 400 . 1 1 46 46 VAL HG21 H 1 0.681 0.01 . . . . . . 46 VAL HG2 . 6837 1 401 . 1 1 46 46 VAL HG22 H 1 0.681 0.01 . . . . . . 46 VAL HG2 . 6837 1 402 . 1 1 46 46 VAL HG23 H 1 0.681 0.01 . . . . . . 46 VAL HG2 . 6837 1 403 . 1 1 46 46 VAL C C 13 174.996 0.1 . . . . . . 46 VAL C . 6837 1 404 . 1 1 46 46 VAL CA C 13 59.635 0.1 . . . . . . 46 VAL CA . 6837 1 405 . 1 1 46 46 VAL CB C 13 27.104 0.1 . . . . . . 46 VAL CB . 6837 1 406 . 1 1 46 46 VAL CG1 C 13 20.436 0.1 . . . . . . 46 VAL CG1 . 6837 1 407 . 1 1 46 46 VAL N N 15 113.805 0.1 . . . . . . 46 VAL N . 6837 1 408 . 1 1 47 47 ASN H H 1 8.651 0.01 . . . . . . 47 ASN H . 6837 1 409 . 1 1 47 47 ASN HA H 1 4.521 0.01 . . . . . . 47 ASN HA . 6837 1 410 . 1 1 47 47 ASN HB2 H 1 2.851 0.01 . . . . . . 47 ASN HB2 . 6837 1 411 . 1 1 47 47 ASN HB3 H 1 2.704 0.01 . . . . . . 47 ASN HB3 . 6837 1 412 . 1 1 47 47 ASN HD21 H 1 7.965 0.01 . . . . . . 47 ASN HD21 . 6837 1 413 . 1 1 47 47 ASN HD22 H 1 7.072 0.01 . . . . . . 47 ASN HD22 . 6837 1 414 . 1 1 47 47 ASN C C 13 175.926 0.1 . . . . . . 47 ASN C . 6837 1 415 . 1 1 47 47 ASN CA C 13 52.708 0.1 . . . . . . 47 ASN CA . 6837 1 416 . 1 1 47 47 ASN CB C 13 37.453 0.1 . . . . . . 47 ASN CB . 6837 1 417 . 1 1 47 47 ASN N N 15 120.196 0.1 . . . . . . 47 ASN N . 6837 1 418 . 1 1 47 47 ASN ND2 N 15 111.419 0.1 . . . . . . 47 ASN ND2 . 6837 1 419 . 1 1 48 48 ASN H H 1 8.574 0.01 . . . . . . 48 ASN H . 6837 1 420 . 1 1 48 48 ASN HA H 1 4.247 0.01 . . . . . . 48 ASN HA . 6837 1 421 . 1 1 48 48 ASN HB2 H 1 2.835 0.01 . . . . . . 48 ASN HB2 . 6837 1 422 . 1 1 48 48 ASN HD21 H 1 7.549 0.01 . . . . . . 48 ASN HD21 . 6837 1 423 . 1 1 48 48 ASN HD22 H 1 7.008 0.01 . . . . . . 48 ASN HD22 . 6837 1 424 . 1 1 48 48 ASN C C 13 177.111 0.1 . . . . . . 48 ASN C . 6837 1 425 . 1 1 48 48 ASN CA C 13 55.085 0.1 . . . . . . 48 ASN CA . 6837 1 426 . 1 1 48 48 ASN CB C 13 37.849 0.1 . . . . . . 48 ASN CB . 6837 1 427 . 1 1 48 48 ASN ND2 N 15 110.473 0.1 . . . . . . 48 ASN ND2 . 6837 1 428 . 1 1 49 49 ALA H H 1 8.268 0.01 . . . . . . 49 ALA H . 6837 1 429 . 1 1 49 49 ALA HA H 1 4.149 0.01 . . . . . . 49 ALA HA . 6837 1 430 . 1 1 49 49 ALA HB1 H 1 1.488 0.01 . . . . . . 49 ALA HB . 6837 1 431 . 1 1 49 49 ALA HB2 H 1 1.488 0.01 . . . . . . 49 ALA HB . 6837 1 432 . 1 1 49 49 ALA HB3 H 1 1.488 0.01 . . . . . . 49 ALA HB . 6837 1 433 . 1 1 49 49 ALA C C 13 181.067 0.1 . . . . . . 49 ALA C . 6837 1 434 . 1 1 49 49 ALA CA C 13 54.665 0.1 . . . . . . 49 ALA CA . 6837 1 435 . 1 1 49 49 ALA N N 15 123.565 0.1 . . . . . . 49 ALA N . 6837 1 436 . 1 1 50 50 LYS H H 1 7.700 0.01 . . . . . . 50 LYS H . 6837 1 437 . 1 1 50 50 LYS HA H 1 4.003 0.01 . . . . . . 50 LYS HA . 6837 1 438 . 1 1 50 50 LYS HB2 H 1 1.859 0.01 . . . . . . 50 LYS HB2 . 6837 1 439 . 1 1 50 50 LYS HG2 H 1 1.461 0.01 . . . . . . 50 LYS HG2 . 6837 1 440 . 1 1 50 50 LYS HD2 H 1 1.649 0.01 . . . . . . 50 LYS HD2 . 6837 1 441 . 1 1 50 50 LYS HZ1 H 1 3.063 0.01 . . . . . . 50 LYS HZ . 6837 1 442 . 1 1 50 50 LYS HZ2 H 1 3.063 0.01 . . . . . . 50 LYS HZ . 6837 1 443 . 1 1 50 50 LYS HZ3 H 1 3.063 0.01 . . . . . . 50 LYS HZ . 6837 1 444 . 1 1 50 50 LYS C C 13 179.677 0.1 . . . . . . 50 LYS C . 6837 1 445 . 1 1 50 50 LYS CA C 13 57.859 0.1 . . . . . . 50 LYS CA . 6837 1 446 . 1 1 50 50 LYS CB C 13 31.311 0.1 . . . . . . 50 LYS CB . 6837 1 447 . 1 1 50 50 LYS CG C 13 24.740 0.1 . . . . . . 50 LYS CG . 6837 1 448 . 1 1 50 50 LYS CD C 13 28.537 0.1 . . . . . . 50 LYS CD . 6837 1 449 . 1 1 50 50 LYS CE C 13 41.415 0.1 . . . . . . 50 LYS CE . 6837 1 450 . 1 1 50 50 LYS N N 15 115.791 0.1 . . . . . . 50 LYS N . 6837 1 451 . 1 1 51 51 LEU H H 1 7.084 0.01 . . . . . . 51 LEU H . 6837 1 452 . 1 1 51 51 LEU HA H 1 3.964 0.01 . . . . . . 51 LEU HA . 6837 1 453 . 1 1 51 51 LEU HB2 H 1 1.734 0.01 . . . . . . 51 LEU HB2 . 6837 1 454 . 1 1 51 51 LEU HG H 1 0.855 0.01 . . . . . . 51 LEU HG . 6837 1 455 . 1 1 51 51 LEU HD11 H 1 0.885 0.01 . . . . . . 51 LEU HD1 . 6837 1 456 . 1 1 51 51 LEU HD12 H 1 0.885 0.01 . . . . . . 51 LEU HD1 . 6837 1 457 . 1 1 51 51 LEU HD13 H 1 0.885 0.01 . . . . . . 51 LEU HD1 . 6837 1 458 . 1 1 51 51 LEU HD21 H 1 0.787 0.01 . . . . . . 51 LEU HD2 . 6837 1 459 . 1 1 51 51 LEU HD22 H 1 0.787 0.01 . . . . . . 51 LEU HD2 . 6837 1 460 . 1 1 51 51 LEU HD23 H 1 0.787 0.01 . . . . . . 51 LEU HD2 . 6837 1 461 . 1 1 51 51 LEU C C 13 178.146 0.1 . . . . . . 51 LEU C . 6837 1 462 . 1 1 51 51 LEU CA C 13 58.057 0.1 . . . . . . 51 LEU CA . 6837 1 463 . 1 1 51 51 LEU CB C 13 40.226 0.1 . . . . . . 51 LEU CB . 6837 1 464 . 1 1 51 51 LEU CG C 13 27.878 0.1 . . . . . . 51 LEU CG . 6837 1 465 . 1 1 51 51 LEU CD1 C 13 25.439 0.1 . . . . . . 51 LEU CD1 . 6837 1 466 . 1 1 51 51 LEU CD2 C 13 24.626 0.1 . . . . . . 51 LEU CD2 . 6837 1 467 . 1 1 51 51 LEU N N 15 120.110 0.1 . . . . . . 51 LEU N . 6837 1 468 . 1 1 52 52 ALA H H 1 8.384 0.01 . . . . . . 52 ALA H . 6837 1 469 . 1 1 52 52 ALA HA H 1 4.155 0.01 . . . . . . 52 ALA HA . 6837 1 470 . 1 1 52 52 ALA HB1 H 1 1.425 0.01 . . . . . . 52 ALA HB . 6837 1 471 . 1 1 52 52 ALA HB2 H 1 1.425 0.01 . . . . . . 52 ALA HB . 6837 1 472 . 1 1 52 52 ALA HB3 H 1 1.425 0.01 . . . . . . 52 ALA HB . 6837 1 473 . 1 1 52 52 ALA C C 13 180.236 0.1 . . . . . . 52 ALA C . 6837 1 474 . 1 1 52 52 ALA CA C 13 54.094 0.1 . . . . . . 52 ALA CA . 6837 1 475 . 1 1 52 52 ALA CB C 13 17.779 0.1 . . . . . . 52 ALA CB . 6837 1 476 . 1 1 52 52 ALA N N 15 121.492 0.1 . . . . . . 52 ALA N . 6837 1 477 . 1 1 53 53 SER H H 1 7.726 0.01 . . . . . . 53 SER H . 6837 1 478 . 1 1 53 53 SER HA H 1 4.223 0.01 . . . . . . 53 SER HA . 6837 1 479 . 1 1 53 53 SER HB2 H 1 3.962 0.01 . . . . . . 53 SER HB2 . 6837 1 480 . 1 1 53 53 SER C C 13 177.863 0.1 . . . . . . 53 SER C . 6837 1 481 . 1 1 53 53 SER CA C 13 60.608 0.1 . . . . . . 53 SER CA . 6837 1 482 . 1 1 53 53 SER CB C 13 62.415 0.1 . . . . . . 53 SER CB . 6837 1 483 . 1 1 53 53 SER N N 15 111.386 0.1 . . . . . . 53 SER N . 6837 1 484 . 1 1 54 54 LEU H H 1 7.229 0.01 . . . . . . 54 LEU H . 6837 1 485 . 1 1 54 54 LEU HA H 1 4.152 0.01 . . . . . . 54 LEU HA . 6837 1 486 . 1 1 54 54 LEU HB2 H 1 1.472 0.01 . . . . . . 54 LEU HB2 . 6837 1 487 . 1 1 54 54 LEU HB3 H 1 1.212 0.01 . . . . . . 54 LEU HB3 . 6837 1 488 . 1 1 54 54 LEU HG H 1 0.955 0.01 . . . . . . 54 LEU HG . 6837 1 489 . 1 1 54 54 LEU HD21 H 1 0.781 0.01 . . . . . . 54 LEU HD2 . 6837 1 490 . 1 1 54 54 LEU HD22 H 1 0.781 0.01 . . . . . . 54 LEU HD2 . 6837 1 491 . 1 1 54 54 LEU HD23 H 1 0.781 0.01 . . . . . . 54 LEU HD2 . 6837 1 492 . 1 1 54 54 LEU C C 13 177.711 0.1 . . . . . . 54 LEU C . 6837 1 493 . 1 1 54 54 LEU CA C 13 56.670 0.1 . . . . . . 54 LEU CA . 6837 1 494 . 1 1 54 54 LEU CB C 13 40.625 0.1 . . . . . . 54 LEU CB . 6837 1 495 . 1 1 54 54 LEU CG C 13 26.189 0.1 . . . . . . 54 LEU CG . 6837 1 496 . 1 1 54 54 LEU CD1 C 13 21.672 0.1 . . . . . . 54 LEU CD1 . 6837 1 497 . 1 1 54 54 LEU CD2 C 13 21.124 0.1 . . . . . . 54 LEU CD2 . 6837 1 498 . 1 1 54 54 LEU N N 15 120.887 0.1 . . . . . . 54 LEU N . 6837 1 499 . 1 1 55 55 GLN H H 1 8.596 0.01 . . . . . . 55 GLN H . 6837 1 500 . 1 1 55 55 GLN HA H 1 3.946 0.01 . . . . . . 55 GLN HA . 6837 1 501 . 1 1 55 55 GLN HB2 H 1 2.237 0.01 . . . . . . 55 GLN HB2 . 6837 1 502 . 1 1 55 55 GLN HB3 H 1 2.145 0.01 . . . . . . 55 GLN HB3 . 6837 1 503 . 1 1 55 55 GLN HG2 H 1 2.342 0.01 . . . . . . 55 GLN HG2 . 6837 1 504 . 1 1 55 55 GLN HG3 H 1 2.452 0.01 . . . . . . 55 GLN HG3 . 6837 1 505 . 1 1 55 55 GLN C C 13 176.590 0.1 . . . . . . 55 GLN C . 6837 1 506 . 1 1 55 55 GLN CA C 13 59.444 0.1 . . . . . . 55 GLN CA . 6837 1 507 . 1 1 55 55 GLN CG C 13 31.509 0.1 . . . . . . 55 GLN CG . 6837 1 508 . 1 1 55 55 GLN N N 15 121.406 0.1 . . . . . . 55 GLN N . 6837 1 509 . 1 1 56 56 GLN H H 1 7.920 0.01 . . . . . . 56 GLN H . 6837 1 510 . 1 1 56 56 GLN HA H 1 3.952 0.01 . . . . . . 56 GLN HA . 6837 1 511 . 1 1 56 56 GLN HB2 H 1 2.216 0.01 . . . . . . 56 GLN HB2 . 6837 1 512 . 1 1 56 56 GLN HB3 H 1 2.145 0.01 . . . . . . 56 GLN HB3 . 6837 1 513 . 1 1 56 56 GLN HG2 H 1 2.567 0.01 . . . . . . 56 GLN HG2 . 6837 1 514 . 1 1 56 56 GLN HG3 H 1 2.457 0.01 . . . . . . 56 GLN HG3 . 6837 1 515 . 1 1 56 56 GLN HE21 H 1 7.369 0.01 . . . . . . 56 GLN HE21 . 6837 1 516 . 1 1 56 56 GLN HE22 H 1 6.861 0.01 . . . . . . 56 GLN HE22 . 6837 1 517 . 1 1 56 56 GLN C C 13 179.017 0.1 . . . . . . 56 GLN C . 6837 1 518 . 1 1 56 56 GLN CA C 13 58.255 0.1 . . . . . . 56 GLN CA . 6837 1 519 . 1 1 56 56 GLN CB C 13 28.113 0.1 . . . . . . 56 GLN CB . 6837 1 520 . 1 1 56 56 GLN N N 15 113.805 0.1 . . . . . . 56 GLN N . 6837 1 521 . 1 1 56 56 GLN NE2 N 15 111.849 0.1 . . . . . . 56 GLN NE2 . 6837 1 522 . 1 1 57 57 VAL H H 1 6.912 0.01 . . . . . . 57 VAL H . 6837 1 523 . 1 1 57 57 VAL HA H 1 3.864 0.01 . . . . . . 57 VAL HA . 6837 1 524 . 1 1 57 57 VAL HB H 1 1.987 0.01 . . . . . . 57 VAL HB . 6837 1 525 . 1 1 57 57 VAL HG11 H 1 0.917 0.01 . . . . . . 57 VAL HG1 . 6837 1 526 . 1 1 57 57 VAL HG12 H 1 0.917 0.01 . . . . . . 57 VAL HG1 . 6837 1 527 . 1 1 57 57 VAL HG13 H 1 0.917 0.01 . . . . . . 57 VAL HG1 . 6837 1 528 . 1 1 57 57 VAL HG21 H 1 0.494 0.01 . . . . . . 57 VAL HG2 . 6837 1 529 . 1 1 57 57 VAL HG22 H 1 0.494 0.01 . . . . . . 57 VAL HG2 . 6837 1 530 . 1 1 57 57 VAL HG23 H 1 0.494 0.01 . . . . . . 57 VAL HG2 . 6837 1 531 . 1 1 57 57 VAL C C 13 177.848 0.1 . . . . . . 57 VAL C . 6837 1 532 . 1 1 57 57 VAL CA C 13 64.793 0.1 . . . . . . 57 VAL CA . 6837 1 533 . 1 1 57 57 VAL CB C 13 31.707 0.1 . . . . . . 57 VAL CB . 6837 1 534 . 1 1 57 57 VAL CG1 C 13 22.750 0.1 . . . . . . 57 VAL CG1 . 6837 1 535 . 1 1 57 57 VAL CG2 C 13 20.657 0.1 . . . . . . 57 VAL CG2 . 6837 1 536 . 1 1 57 57 VAL N N 15 115.100 0.1 . . . . . . 57 VAL N . 6837 1 537 . 1 1 58 58 LEU H H 1 7.579 0.01 . . . . . . 58 LEU H . 6837 1 538 . 1 1 58 58 LEU HA H 1 3.152 0.01 . . . . . . 58 LEU HA . 6837 1 539 . 1 1 58 58 LEU HB2 H 1 1.565 0.01 . . . . . . 58 LEU HB2 . 6837 1 540 . 1 1 58 58 LEU HB3 H 1 1.241 0.01 . . . . . . 58 LEU HB3 . 6837 1 541 . 1 1 58 58 LEU HG H 1 0.763 0.01 . . . . . . 58 LEU HG . 6837 1 542 . 1 1 58 58 LEU HD11 H 1 0.643 0.01 . . . . . . 58 LEU HD1 . 6837 1 543 . 1 1 58 58 LEU HD12 H 1 0.643 0.01 . . . . . . 58 LEU HD1 . 6837 1 544 . 1 1 58 58 LEU HD13 H 1 0.643 0.01 . . . . . . 58 LEU HD1 . 6837 1 545 . 1 1 58 58 LEU HD21 H 1 0.312 0.01 . . . . . . 58 LEU HD2 . 6837 1 546 . 1 1 58 58 LEU HD22 H 1 0.312 0.01 . . . . . . 58 LEU HD2 . 6837 1 547 . 1 1 58 58 LEU HD23 H 1 0.312 0.01 . . . . . . 58 LEU HD2 . 6837 1 548 . 1 1 58 58 LEU C C 13 176.816 0.1 . . . . . . 58 LEU C . 6837 1 549 . 1 1 58 58 LEU CA C 13 56.076 0.1 . . . . . . 58 LEU CA . 6837 1 550 . 1 1 58 58 LEU CB C 13 40.821 0.1 . . . . . . 58 LEU CB . 6837 1 551 . 1 1 58 58 LEU CG C 13 25.962 0.1 . . . . . . 58 LEU CG . 6837 1 552 . 1 1 58 58 LEU CD1 C 13 21.499 0.1 . . . . . . 58 LEU CD1 . 6837 1 553 . 1 1 58 58 LEU CD2 C 13 22.643 0.1 . . . . . . 58 LEU CD2 . 6837 1 554 . 1 1 58 58 LEU N N 15 117.778 0.1 . . . . . . 58 LEU N . 6837 1 555 . 1 1 59 59 GLN H H 1 7.704 0.01 . . . . . . 59 GLN H . 6837 1 556 . 1 1 59 59 GLN HA H 1 4.394 0.01 . . . . . . 59 GLN HA . 6837 1 557 . 1 1 59 59 GLN HB2 H 1 2.167 0.01 . . . . . . 59 GLN HB2 . 6837 1 558 . 1 1 59 59 GLN HB3 H 1 2.000 0.01 . . . . . . 59 GLN HB3 . 6837 1 559 . 1 1 59 59 GLN HG2 H 1 2.431 0.01 . . . . . . 59 GLN HG2 . 6837 1 560 . 1 1 59 59 GLN HG3 H 1 2.322 0.01 . . . . . . 59 GLN HG3 . 6837 1 561 . 1 1 59 59 GLN HE21 H 1 7.325 0.01 . . . . . . 59 GLN HE21 . 6837 1 562 . 1 1 59 59 GLN HE22 H 1 6.761 0.01 . . . . . . 59 GLN HE22 . 6837 1 563 . 1 1 59 59 GLN C C 13 176.198 0.1 . . . . . . 59 GLN C . 6837 1 564 . 1 1 59 59 GLN CA C 13 55.085 0.1 . . . . . . 59 GLN CA . 6837 1 565 . 1 1 59 59 GLN CB C 13 28.933 0.1 . . . . . . 59 GLN CB . 6837 1 566 . 1 1 59 59 GLN N N 15 111.434 0.1 . . . . . . 59 GLN N . 6837 1 567 . 1 1 59 59 GLN NE2 N 15 109.870 0.1 . . . . . . 59 GLN NE2 . 6837 1 568 . 1 1 60 60 SER H H 1 7.625 0.01 . . . . . . 60 SER H . 6837 1 569 . 1 1 60 60 SER HA H 1 4.662 0.01 . . . . . . 60 SER HA . 6837 1 570 . 1 1 60 60 SER HB2 H 1 4.527 0.01 . . . . . . 60 SER HB2 . 6837 1 571 . 1 1 60 60 SER C C 13 178.199 0.1 . . . . . . 60 SER C . 6837 1 572 . 1 1 60 60 SER CA C 13 58.057 0.1 . . . . . . 60 SER CA . 6837 1 573 . 1 1 60 60 SER CB C 13 64.396 0.1 . . . . . . 60 SER CB . 6837 1 574 . 1 1 60 60 SER N N 15 115.791 0.1 . . . . . . 60 SER N . 6837 1 575 . 1 1 61 61 GLU H H 1 8.181 0.01 . . . . . . 61 GLU H . 6837 1 576 . 1 1 61 61 GLU HA H 1 4.193 0.01 . . . . . . 61 GLU HA . 6837 1 577 . 1 1 61 61 GLU HB2 H 1 2.069 0.01 . . . . . . 61 GLU HB2 . 6837 1 578 . 1 1 61 61 GLU HG2 H 1 2.496 0.01 . . . . . . 61 GLU HG2 . 6837 1 579 . 1 1 61 61 GLU HG3 H 1 2.410 0.01 . . . . . . 61 GLU HG3 . 6837 1 580 . 1 1 61 61 GLU C C 13 180.022 0.1 . . . . . . 61 GLU C . 6837 1 581 . 1 1 61 61 GLU CA C 13 58.849 0.1 . . . . . . 61 GLU CA . 6837 1 582 . 1 1 61 61 GLU CB C 13 28.537 0.1 . . . . . . 61 GLU CB . 6837 1 583 . 1 1 61 61 GLU CG C 13 36.264 0.1 . . . . . . 61 GLU CG . 6837 1 584 . 1 1 61 61 GLU N N 15 122.490 0.1 . . . . . . 61 GLU N . 6837 1 585 . 1 1 62 62 PHE H H 1 9.072 0.01 . . . . . . 62 PHE H . 6837 1 586 . 1 1 62 62 PHE HA H 1 4.253 0.01 . . . . . . 62 PHE HA . 6837 1 587 . 1 1 62 62 PHE HB2 H 1 3.317 0.01 . . . . . . 62 PHE HB2 . 6837 1 588 . 1 1 62 62 PHE HB3 H 1 3.046 0.01 . . . . . . 62 PHE HB3 . 6837 1 589 . 1 1 62 62 PHE HD1 H 1 7.247 0.01 . . . . . . 62 PHE HD1 . 6837 1 590 . 1 1 62 62 PHE HE1 H 1 6.582 0.01 . . . . . . 62 PHE HE1 . 6837 1 591 . 1 1 62 62 PHE HZ H 1 6.677 0.01 . . . . . . 62 PHE HZ . 6837 1 592 . 1 1 62 62 PHE CA C 13 61.028 0.1 . . . . . . 62 PHE CA . 6837 1 593 . 1 1 62 62 PHE CB C 13 39.236 0.1 . . . . . . 62 PHE CB . 6837 1 594 . 1 1 62 62 PHE N N 15 120.590 0.1 . . . . . . 62 PHE N . 6837 1 595 . 1 1 63 63 PHE H H 1 8.195 0.01 . . . . . . 63 PHE H . 6837 1 596 . 1 1 63 63 PHE HA H 1 4.220 0.01 . . . . . . 63 PHE HA . 6837 1 597 . 1 1 63 63 PHE HB2 H 1 3.142 0.01 . . . . . . 63 PHE HB2 . 6837 1 598 . 1 1 63 63 PHE HB3 H 1 3.116 0.01 . . . . . . 63 PHE HB3 . 6837 1 599 . 1 1 63 63 PHE HD1 H 1 7.103 0.01 . . . . . . 63 PHE HD1 . 6837 1 600 . 1 1 63 63 PHE HE1 H 1 6.935 0.01 . . . . . . 63 PHE HE1 . 6837 1 601 . 1 1 63 63 PHE HZ H 1 6.677 0.01 . . . . . . 63 PHE HZ . 6837 1 602 . 1 1 63 63 PHE C C 13 177.183 0.1 . . . . . . 63 PHE C . 6837 1 603 . 1 1 63 63 PHE CA C 13 62.217 0.1 . . . . . . 63 PHE CA . 6837 1 604 . 1 1 63 63 PHE CB C 13 39.434 0.1 . . . . . . 63 PHE CB . 6837 1 605 . 1 1 63 63 PHE N N 15 118.469 0.1 . . . . . . 63 PHE N . 6837 1 606 . 1 1 64 64 GLY H H 1 7.894 0.01 . . . . . . 64 GLY H . 6837 1 607 . 1 1 64 64 GLY HA2 H 1 3.627 0.01 . . . . . . 64 GLY HA2 . 6837 1 608 . 1 1 64 64 GLY HA3 H 1 3.997 0.01 . . . . . . 64 GLY HA3 . 6837 1 609 . 1 1 64 64 GLY C C 13 175.121 0.1 . . . . . . 64 GLY C . 6837 1 610 . 1 1 64 64 GLY CA C 13 46.938 0.1 . . . . . . 64 GLY CA . 6837 1 611 . 1 1 64 64 GLY N N 15 104.994 0.1 . . . . . . 64 GLY N . 6837 1 612 . 1 1 65 65 ALA H H 1 7.825 0.01 . . . . . . 65 ALA H . 6837 1 613 . 1 1 65 65 ALA HA H 1 4.135 0.01 . . . . . . 65 ALA HA . 6837 1 614 . 1 1 65 65 ALA HB1 H 1 1.369 0.01 . . . . . . 65 ALA HB . 6837 1 615 . 1 1 65 65 ALA HB2 H 1 1.369 0.01 . . . . . . 65 ALA HB . 6837 1 616 . 1 1 65 65 ALA HB3 H 1 1.369 0.01 . . . . . . 65 ALA HB . 6837 1 617 . 1 1 65 65 ALA C C 13 180.301 0.1 . . . . . . 65 ALA C . 6837 1 618 . 1 1 65 65 ALA CA C 13 53.896 0.1 . . . . . . 65 ALA CA . 6837 1 619 . 1 1 65 65 ALA CB C 13 18.060 0.1 . . . . . . 65 ALA CB . 6837 1 620 . 1 1 65 65 ALA N N 15 123.697 0.1 . . . . . . 65 ALA N . 6837 1 621 . 1 1 66 66 VAL H H 1 7.845 0.01 . . . . . . 66 VAL H . 6837 1 622 . 1 1 66 66 VAL HA H 1 3.293 0.01 . . . . . . 66 VAL HA . 6837 1 623 . 1 1 66 66 VAL HB H 1 1.416 0.01 . . . . . . 66 VAL HB . 6837 1 624 . 1 1 66 66 VAL HG11 H 1 0.567 0.01 . . . . . . 66 VAL HG1 . 6837 1 625 . 1 1 66 66 VAL HG12 H 1 0.567 0.01 . . . . . . 66 VAL HG1 . 6837 1 626 . 1 1 66 66 VAL HG13 H 1 0.567 0.01 . . . . . . 66 VAL HG1 . 6837 1 627 . 1 1 66 66 VAL HG21 H 1 0.439 0.01 . . . . . . 66 VAL HG2 . 6837 1 628 . 1 1 66 66 VAL HG22 H 1 0.439 0.01 . . . . . . 66 VAL HG2 . 6837 1 629 . 1 1 66 66 VAL HG23 H 1 0.439 0.01 . . . . . . 66 VAL HG2 . 6837 1 630 . 1 1 66 66 VAL C C 13 177.300 0.1 . . . . . . 66 VAL C . 6837 1 631 . 1 1 66 66 VAL CA C 13 65.585 0.1 . . . . . . 66 VAL CA . 6837 1 632 . 1 1 66 66 VAL CG1 C 13 20.574 0.1 . . . . . . 66 VAL CG1 . 6837 1 633 . 1 1 66 66 VAL N N 15 118.406 0.1 . . . . . . 66 VAL N . 6837 1 634 . 1 1 67 67 ARG H H 1 8.567 0.01 . . . . . . 67 ARG H . 6837 1 635 . 1 1 67 67 ARG HA H 1 3.538 0.01 . . . . . . 67 ARG HA . 6837 1 636 . 1 1 67 67 ARG HB2 H 1 1.927 0.01 . . . . . . 67 ARG HB2 . 6837 1 637 . 1 1 67 67 ARG HG2 H 1 1.277 0.01 . . . . . . 67 ARG HG2 . 6837 1 638 . 1 1 67 67 ARG HD2 H 1 2.990 0.01 . . . . . . 67 ARG HD2 . 6837 1 639 . 1 1 67 67 ARG CA C 13 56.529 0.1 . . . . . . 67 ARG CA . 6837 1 640 . 1 1 67 67 ARG N N 15 119.505 0.1 . . . . . . 67 ARG N . 6837 1 641 . 1 1 68 68 GLU H H 1 7.947 0.01 . . . . . . 68 GLU H . 6837 1 642 . 1 1 68 68 GLU HA H 1 4.019 0.01 . . . . . . 68 GLU HA . 6837 1 643 . 1 1 68 68 GLU HB2 H 1 2.060 0.01 . . . . . . 68 GLU HB2 . 6837 1 644 . 1 1 68 68 GLU HG2 H 1 2.401 0.01 . . . . . . 68 GLU HG2 . 6837 1 645 . 1 1 68 68 GLU C C 13 179.122 0.1 . . . . . . 68 GLU C . 6837 1 646 . 1 1 68 68 GLU CB C 13 35.947 0.1 . . . . . . 68 GLU CB . 6837 1 647 . 1 1 68 68 GLU N N 15 117.270 0.1 . . . . . . 68 GLU N . 6837 1 648 . 1 1 69 69 VAL H H 1 7.454 0.01 . . . . . . 69 VAL H . 6837 1 649 . 1 1 69 69 VAL HA H 1 3.857 0.01 . . . . . . 69 VAL HA . 6837 1 650 . 1 1 69 69 VAL HB H 1 1.705 0.01 . . . . . . 69 VAL HB . 6837 1 651 . 1 1 69 69 VAL HG11 H 1 1.042 0.01 . . . . . . 69 VAL HG1 . 6837 1 652 . 1 1 69 69 VAL HG12 H 1 1.042 0.01 . . . . . . 69 VAL HG1 . 6837 1 653 . 1 1 69 69 VAL HG13 H 1 1.042 0.01 . . . . . . 69 VAL HG1 . 6837 1 654 . 1 1 69 69 VAL CA C 13 61.500 0.1 . . . . . . 69 VAL CA . 6837 1 655 . 1 1 69 69 VAL CB C 13 38.345 0.1 . . . . . . 69 VAL CB . 6837 1 656 . 1 1 69 69 VAL N N 15 117.480 0.1 . . . . . . 69 VAL N . 6837 1 657 . 1 1 70 70 TYR H H 1 8.193 0.01 . . . . . . 70 TYR H . 6837 1 658 . 1 1 70 70 TYR HA H 1 4.324 0.01 . . . . . . 70 TYR HA . 6837 1 659 . 1 1 70 70 TYR HB2 H 1 2.986 0.01 . . . . . . 70 TYR HB2 . 6837 1 660 . 1 1 70 70 TYR HB3 H 1 2.845 0.01 . . . . . . 70 TYR HB3 . 6837 1 661 . 1 1 70 70 TYR HD1 H 1 6.814 0.01 . . . . . . 70 TYR HD1 . 6837 1 662 . 1 1 70 70 TYR HE1 H 1 6.627 0.01 . . . . . . 70 TYR HE1 . 6837 1 663 . 1 1 70 70 TYR C C 13 177.613 0.1 . . . . . . 70 TYR C . 6837 1 664 . 1 1 70 70 TYR CA C 13 62.415 0.1 . . . . . . 70 TYR CA . 6837 1 665 . 1 1 70 70 TYR CB C 13 39.037 0.1 . . . . . . 70 TYR CB . 6837 1 666 . 1 1 70 70 TYR CD1 C 13 132.575 0.1 . . . . . . 70 TYR CD1 . 6837 1 667 . 1 1 70 70 TYR CE1 C 13 118.198 0.1 . . . . . . 70 TYR CE1 . 6837 1 668 . 1 1 70 70 TYR N N 15 123.133 0.1 . . . . . . 70 TYR N . 6837 1 669 . 1 1 71 71 GLU H H 1 8.579 0.01 . . . . . . 71 GLU H . 6837 1 670 . 1 1 71 71 GLU HA H 1 4.066 0.01 . . . . . . 71 GLU HA . 6837 1 671 . 1 1 71 71 GLU HB2 H 1 2.417 0.01 . . . . . . 71 GLU HB2 . 6837 1 672 . 1 1 71 71 GLU HB3 H 1 2.112 0.01 . . . . . . 71 GLU HB3 . 6837 1 673 . 1 1 71 71 GLU HG2 H 1 2.627 0.01 . . . . . . 71 GLU HG2 . 6837 1 674 . 1 1 71 71 GLU C C 13 178.883 0.1 . . . . . . 71 GLU C . 6837 1 675 . 1 1 71 71 GLU CA C 13 57.660 0.1 . . . . . . 71 GLU CA . 6837 1 676 . 1 1 71 71 GLU CB C 13 29.698 0.1 . . . . . . 71 GLU CB . 6837 1 677 . 1 1 71 71 GLU CG C 13 36.079 0.1 . . . . . . 71 GLU CG . 6837 1 678 . 1 1 71 71 GLU N N 15 116.012 0.1 . . . . . . 71 GLU N . 6837 1 679 . 1 1 72 72 THR HA H 1 4.579 0.01 . . . . . . 72 THR HA . 6837 1 680 . 1 1 72 72 THR HB H 1 4.099 0.01 . . . . . . 72 THR HB . 6837 1 681 . 1 1 72 72 THR HG21 H 1 1.238 0.01 . . . . . . 72 THR HG2 . 6837 1 682 . 1 1 72 72 THR HG22 H 1 1.238 0.01 . . . . . . 72 THR HG2 . 6837 1 683 . 1 1 72 72 THR HG23 H 1 1.238 0.01 . . . . . . 72 THR HG2 . 6837 1 684 . 1 1 72 72 THR C C 13 176.525 0.1 . . . . . . 72 THR C . 6837 1 685 . 1 1 72 72 THR CA C 13 59.047 0.1 . . . . . . 72 THR CA . 6837 1 686 . 1 1 72 72 THR CB C 13 69.151 0.1 . . . . . . 72 THR CB . 6837 1 687 . 1 1 72 72 THR N N 15 113.027 0.1 . . . . . . 72 THR N . 6837 1 688 . 1 1 73 73 VAL H H 1 7.843 0.01 . . . . . . 73 VAL H . 6837 1 689 . 1 1 73 73 VAL HA H 1 3.684 0.01 . . . . . . 73 VAL HA . 6837 1 690 . 1 1 73 73 VAL HB H 1 1.868 0.01 . . . . . . 73 VAL HB . 6837 1 691 . 1 1 73 73 VAL HG11 H 1 0.766 0.01 . . . . . . 73 VAL HG1 . 6837 1 692 . 1 1 73 73 VAL HG12 H 1 0.766 0.01 . . . . . . 73 VAL HG1 . 6837 1 693 . 1 1 73 73 VAL HG13 H 1 0.766 0.01 . . . . . . 73 VAL HG1 . 6837 1 694 . 1 1 73 73 VAL HG21 H 1 0.467 0.01 . . . . . . 73 VAL HG2 . 6837 1 695 . 1 1 73 73 VAL HG22 H 1 0.467 0.01 . . . . . . 73 VAL HG2 . 6837 1 696 . 1 1 73 73 VAL HG23 H 1 0.467 0.01 . . . . . . 73 VAL HG2 . 6837 1 697 . 1 1 73 73 VAL C C 13 177.719 0.1 . . . . . . 73 VAL C . 6837 1 698 . 1 1 73 73 VAL CA C 13 57.562 0.1 . . . . . . 73 VAL CA . 6837 1 699 . 1 1 73 73 VAL CB C 13 31.113 0.1 . . . . . . 73 VAL CB . 6837 1 700 . 1 1 73 73 VAL CG2 C 13 18.607 0.1 . . . . . . 73 VAL CG2 . 6837 1 701 . 1 1 73 73 VAL N N 15 120.244 0.1 . . . . . . 73 VAL N . 6837 1 702 . 1 1 74 74 TYR H H 1 8.040 0.01 . . . . . . 74 TYR H . 6837 1 703 . 1 1 74 74 TYR HA H 1 4.286 0.01 . . . . . . 74 TYR HA . 6837 1 704 . 1 1 74 74 TYR HB2 H 1 2.872 0.01 . . . . . . 74 TYR HB2 . 6837 1 705 . 1 1 74 74 TYR HB3 H 1 2.793 0.01 . . . . . . 74 TYR HB3 . 6837 1 706 . 1 1 74 74 TYR HD1 H 1 7.017 0.01 . . . . . . 74 TYR HD1 . 6837 1 707 . 1 1 74 74 TYR C C 13 177.189 0.1 . . . . . . 74 TYR C . 6837 1 708 . 1 1 74 74 TYR CA C 13 62.812 0.1 . . . . . . 74 TYR CA . 6837 1 709 . 1 1 74 74 TYR CB C 13 38.899 0.1 . . . . . . 74 TYR CB . 6837 1 710 . 1 1 74 74 TYR N N 15 119.553 0.1 . . . . . . 74 TYR N . 6837 1 711 . 1 1 75 75 GLU H H 1 8.304 0.01 . . . . . . 75 GLU H . 6837 1 712 . 1 1 75 75 GLU HA H 1 4.329 0.01 . . . . . . 75 GLU HA . 6837 1 713 . 1 1 75 75 GLU HB2 H 1 2.785 0.01 . . . . . . 75 GLU HB2 . 6837 1 714 . 1 1 75 75 GLU HG2 H 1 2.951 0.01 . . . . . . 75 GLU HG2 . 6837 1 715 . 1 1 75 75 GLU C C 13 176.369 0.1 . . . . . . 75 GLU C . 6837 1 716 . 1 1 75 75 GLU CA C 13 56.274 0.1 . . . . . . 75 GLU CA . 6837 1 717 . 1 1 75 75 GLU CB C 13 37.849 0.1 . . . . . . 75 GLU CB . 6837 1 718 . 1 1 75 75 GLU CG C 13 41.217 0.1 . . . . . . 75 GLU CG . 6837 1 719 . 1 1 75 75 GLU N N 15 122.058 0.1 . . . . . . 75 GLU N . 6837 1 720 . 1 1 76 76 SER H H 1 7.948 0.01 . . . . . . 76 SER H . 6837 1 721 . 1 1 76 76 SER HA H 1 4.454 0.01 . . . . . . 76 SER HA . 6837 1 722 . 1 1 76 76 SER HB2 H 1 3.930 0.01 . . . . . . 76 SER HB2 . 6837 1 723 . 1 1 76 76 SER HB3 H 1 3.820 0.01 . . . . . . 76 SER HB3 . 6837 1 724 . 1 1 76 76 SER C C 13 175.470 0.1 . . . . . . 76 SER C . 6837 1 725 . 1 1 76 76 SER CA C 13 58.057 0.1 . . . . . . 76 SER CA . 6837 1 726 . 1 1 76 76 SER CB C 13 63.406 0.1 . . . . . . 76 SER CB . 6837 1 727 . 1 1 76 76 SER N N 15 114.323 0.1 . . . . . . 76 SER N . 6837 1 728 . 1 1 77 77 ILE H H 1 7.866 0.01 . . . . . . 77 ILE H . 6837 1 729 . 1 1 77 77 ILE HA H 1 4.123 0.01 . . . . . . 77 ILE HA . 6837 1 730 . 1 1 77 77 ILE HB H 1 1.819 0.01 . . . . . . 77 ILE HB . 6837 1 731 . 1 1 77 77 ILE HG12 H 1 1.476 0.01 . . . . . . 77 ILE HG12 . 6837 1 732 . 1 1 77 77 ILE HG13 H 1 1.129 0.01 . . . . . . 77 ILE HG13 . 6837 1 733 . 1 1 77 77 ILE HD11 H 1 0.853 0.01 . . . . . . 77 ILE HD1 . 6837 1 734 . 1 1 77 77 ILE HD12 H 1 0.853 0.01 . . . . . . 77 ILE HD1 . 6837 1 735 . 1 1 77 77 ILE HD13 H 1 0.853 0.01 . . . . . . 77 ILE HD1 . 6837 1 736 . 1 1 77 77 ILE C C 13 175.809 0.1 . . . . . . 77 ILE C . 6837 1 737 . 1 1 77 77 ILE CA C 13 60.442 0.1 . . . . . . 77 ILE CA . 6837 1 738 . 1 1 77 77 ILE CB C 13 38.421 0.1 . . . . . . 77 ILE CB . 6837 1 739 . 1 1 77 77 ILE CG1 C 13 26.536 0.1 . . . . . . 77 ILE CG1 . 6837 1 740 . 1 1 77 77 ILE CG2 C 13 16.670 0.1 . . . . . . 77 ILE CG2 . 6837 1 741 . 1 1 77 77 ILE CD1 C 13 17.435 0.1 . . . . . . 77 ILE CD1 . 6837 1 742 . 1 1 77 77 ILE N N 15 121.751 0.1 . . . . . . 77 ILE N . 6837 1 743 . 1 1 78 78 ASP H H 1 8.304 0.01 . . . . . . 78 ASP H . 6837 1 744 . 1 1 78 78 ASP HA H 1 4.599 0.01 . . . . . . 78 ASP HA . 6837 1 745 . 1 1 78 78 ASP HB2 H 1 2.721 0.01 . . . . . . 78 ASP HB2 . 6837 1 746 . 1 1 78 78 ASP HB3 H 1 2.642 0.01 . . . . . . 78 ASP HB3 . 6837 1 747 . 1 1 78 78 ASP C C 13 176.120 0.1 . . . . . . 78 ASP C . 6837 1 748 . 1 1 78 78 ASP CA C 13 53.868 0.1 . . . . . . 78 ASP CA . 6837 1 749 . 1 1 78 78 ASP N N 15 123.651 0.1 . . . . . . 78 ASP N . 6837 1 750 . 1 1 79 79 ALA H H 1 8.253 0.01 . . . . . . 79 ALA H . 6837 1 751 . 1 1 79 79 ALA HA H 1 4.247 0.01 . . . . . . 79 ALA HA . 6837 1 752 . 1 1 79 79 ALA HB1 H 1 1.399 0.01 . . . . . . 79 ALA HB . 6837 1 753 . 1 1 79 79 ALA HB2 H 1 1.399 0.01 . . . . . . 79 ALA HB . 6837 1 754 . 1 1 79 79 ALA HB3 H 1 1.399 0.01 . . . . . . 79 ALA HB . 6837 1 755 . 1 1 79 79 ALA C C 13 177.604 0.1 . . . . . . 79 ALA C . 6837 1 756 . 1 1 79 79 ALA CA C 13 52.509 0.1 . . . . . . 79 ALA CA . 6837 1 757 . 1 1 79 79 ALA CB C 13 18.858 0.1 . . . . . . 79 ALA CB . 6837 1 758 . 1 1 79 79 ALA N N 15 123.651 0.1 . . . . . . 79 ALA N . 6837 1 759 . 1 1 80 80 ASP H H 1 8.326 0.01 . . . . . . 80 ASP H . 6837 1 760 . 1 1 80 80 ASP HA H 1 4.195 0.01 . . . . . . 80 ASP HA . 6837 1 761 . 1 1 80 80 ASP HB2 H 1 2.742 0.01 . . . . . . 80 ASP HB2 . 6837 1 762 . 1 1 80 80 ASP HB3 H 1 2.614 0.01 . . . . . . 80 ASP HB3 . 6837 1 763 . 1 1 80 80 ASP C C 13 176.587 0.1 . . . . . . 80 ASP C . 6837 1 764 . 1 1 80 80 ASP CA C 13 54.477 0.1 . . . . . . 80 ASP CA . 6837 1 765 . 1 1 80 80 ASP CB C 13 40.763 0.1 . . . . . . 80 ASP CB . 6837 1 766 . 1 1 80 80 ASP N N 15 117.389 0.1 . . . . . . 80 ASP N . 6837 1 767 . 1 1 81 81 THR H H 1 7.891 0.01 . . . . . . 81 THR H . 6837 1 768 . 1 1 81 81 THR HA H 1 4.413 0.01 . . . . . . 81 THR HA . 6837 1 769 . 1 1 81 81 THR HB H 1 4.240 0.01 . . . . . . 81 THR HB . 6837 1 770 . 1 1 81 81 THR HG21 H 1 1.158 0.01 . . . . . . 81 THR HG2 . 6837 1 771 . 1 1 81 81 THR HG22 H 1 1.158 0.01 . . . . . . 81 THR HG2 . 6837 1 772 . 1 1 81 81 THR HG23 H 1 1.158 0.01 . . . . . . 81 THR HG2 . 6837 1 773 . 1 1 81 81 THR C C 13 174.538 0.1 . . . . . . 81 THR C . 6837 1 774 . 1 1 81 81 THR CA C 13 61.227 0.1 . . . . . . 81 THR CA . 6837 1 775 . 1 1 81 81 THR CB C 13 69.066 0.1 . . . . . . 81 THR CB . 6837 1 776 . 1 1 81 81 THR CG2 C 13 20.937 0.1 . . . . . . 81 THR CG2 . 6837 1 777 . 1 1 81 81 THR N N 15 112.854 0.1 . . . . . . 81 THR N . 6837 1 778 . 1 1 82 82 THR H H 1 8.077 0.01 . . . . . . 82 THR H . 6837 1 779 . 1 1 82 82 THR HA H 1 4.583 0.01 . . . . . . 82 THR HA . 6837 1 780 . 1 1 82 82 THR HB H 1 4.323 0.01 . . . . . . 82 THR HB . 6837 1 781 . 1 1 82 82 THR HG21 H 1 1.525 0.01 . . . . . . 82 THR HG2 . 6837 1 782 . 1 1 82 82 THR HG22 H 1 1.525 0.01 . . . . . . 82 THR HG2 . 6837 1 783 . 1 1 82 82 THR HG23 H 1 1.525 0.01 . . . . . . 82 THR HG2 . 6837 1 784 . 1 1 82 82 THR CA C 13 59.420 0.1 . . . . . . 82 THR CA . 6837 1 785 . 1 1 82 82 THR CB C 13 68.854 0.1 . . . . . . 82 THR CB . 6837 1 786 . 1 1 82 82 THR N N 15 117.074 0.1 . . . . . . 82 THR N . 6837 1 787 . 1 1 83 83 PRO C C 13 177.646 0.1 . . . . . . 83 PRO C . 6837 1 788 . 1 1 83 83 PRO CA C 13 63.856 0.1 . . . . . . 83 PRO CA . 6837 1 789 . 1 1 83 83 PRO CB C 13 31.075 0.1 . . . . . . 83 PRO CB . 6837 1 790 . 1 1 83 83 PRO CG C 13 27.036 0.1 . . . . . . 83 PRO CG . 6837 1 791 . 1 1 83 83 PRO CD C 13 50.326 0.1 . . . . . . 83 PRO CD . 6837 1 792 . 1 1 84 84 GLU H H 1 8.554 0.01 . . . . . . 84 GLU H . 6837 1 793 . 1 1 84 84 GLU HA H 1 4.165 0.01 . . . . . . 84 GLU HA . 6837 1 794 . 1 1 84 84 GLU HB2 H 1 1.978 0.01 . . . . . . 84 GLU HB2 . 6837 1 795 . 1 1 84 84 GLU HG2 H 1 2.255 0.01 . . . . . . 84 GLU HG2 . 6837 1 796 . 1 1 84 84 GLU C C 13 177.290 0.1 . . . . . . 84 GLU C . 6837 1 797 . 1 1 84 84 GLU CA C 13 57.264 0.1 . . . . . . 84 GLU CA . 6837 1 798 . 1 1 84 84 GLU CB C 13 29.132 0.1 . . . . . . 84 GLU CB . 6837 1 799 . 1 1 84 84 GLU CG C 13 35.669 0.1 . . . . . . 84 GLU CG . 6837 1 800 . 1 1 84 84 GLU N N 15 118.814 0.1 . . . . . . 84 GLU N . 6837 1 801 . 1 1 85 85 ILE H H 1 7.875 0.01 . . . . . . 85 ILE H . 6837 1 802 . 1 1 85 85 ILE HA H 1 4.044 0.01 . . . . . . 85 ILE HA . 6837 1 803 . 1 1 85 85 ILE HB H 1 1.887 0.01 . . . . . . 85 ILE HB . 6837 1 804 . 1 1 85 85 ILE HG12 H 1 1.486 0.01 . . . . . . 85 ILE HG12 . 6837 1 805 . 1 1 85 85 ILE HG13 H 1 1.180 0.01 . . . . . . 85 ILE HG13 . 6837 1 806 . 1 1 85 85 ILE HG21 H 1 1.217 0.01 . . . . . . 85 ILE HG2 . 6837 1 807 . 1 1 85 85 ILE HG22 H 1 1.217 0.01 . . . . . . 85 ILE HG2 . 6837 1 808 . 1 1 85 85 ILE HG23 H 1 1.217 0.01 . . . . . . 85 ILE HG2 . 6837 1 809 . 1 1 85 85 ILE HD11 H 1 0.860 0.01 . . . . . . 85 ILE HD1 . 6837 1 810 . 1 1 85 85 ILE HD12 H 1 0.860 0.01 . . . . . . 85 ILE HD1 . 6837 1 811 . 1 1 85 85 ILE HD13 H 1 0.860 0.01 . . . . . . 85 ILE HD1 . 6837 1 812 . 1 1 85 85 ILE C C 13 176.942 0.1 . . . . . . 85 ILE C . 6837 1 813 . 1 1 85 85 ILE CA C 13 61.425 0.1 . . . . . . 85 ILE CA . 6837 1 814 . 1 1 85 85 ILE CB C 13 37.453 0.1 . . . . . . 85 ILE CB . 6837 1 815 . 1 1 85 85 ILE CG1 C 13 27.878 0.1 . . . . . . 85 ILE CG1 . 6837 1 816 . 1 1 85 85 ILE CG2 C 13 16.899 0.1 . . . . . . 85 ILE CG2 . 6837 1 817 . 1 1 85 85 ILE CD1 C 13 14.371 0.1 . . . . . . 85 ILE CD1 . 6837 1 818 . 1 1 85 85 ILE N N 15 121.319 0.1 . . . . . . 85 ILE N . 6837 1 819 . 1 1 86 86 LYS H H 1 8.178 0.01 . . . . . . 86 LYS H . 6837 1 820 . 1 1 86 86 LYS HA H 1 4.208 0.01 . . . . . . 86 LYS HA . 6837 1 821 . 1 1 86 86 LYS HB2 H 1 1.824 0.01 . . . . . . 86 LYS HB2 . 6837 1 822 . 1 1 86 86 LYS HG2 H 1 1.451 0.01 . . . . . . 86 LYS HG2 . 6837 1 823 . 1 1 86 86 LYS HG3 H 1 1.386 0.01 . . . . . . 86 LYS HG3 . 6837 1 824 . 1 1 86 86 LYS HD2 H 1 1.826 0.01 . . . . . . 86 LYS HD2 . 6837 1 825 . 1 1 86 86 LYS HD3 H 1 1.755 0.01 . . . . . . 86 LYS HD3 . 6837 1 826 . 1 1 86 86 LYS HZ1 H 1 2.949 0.01 . . . . . . 86 LYS HZ . 6837 1 827 . 1 1 86 86 LYS HZ2 H 1 2.949 0.01 . . . . . . 86 LYS HZ . 6837 1 828 . 1 1 86 86 LYS HZ3 H 1 2.949 0.01 . . . . . . 86 LYS HZ . 6837 1 829 . 1 1 86 86 LYS C C 13 177.033 0.1 . . . . . . 86 LYS C . 6837 1 830 . 1 1 86 86 LYS CA C 13 56.472 0.1 . . . . . . 86 LYS CA . 6837 1 831 . 1 1 86 86 LYS CB C 13 36.264 0.1 . . . . . . 86 LYS CB . 6837 1 832 . 1 1 86 86 LYS CG C 13 18.403 0.1 . . . . . . 86 LYS CG . 6837 1 833 . 1 1 86 86 LYS CE C 13 38.460 0.1 . . . . . . 86 LYS CE . 6837 1 834 . 1 1 86 86 LYS N N 15 123.911 0.1 . . . . . . 86 LYS N . 6837 1 835 . 1 1 87 87 ALA H H 1 8.157 0.01 . . . . . . 87 ALA H . 6837 1 836 . 1 1 87 87 ALA HA H 1 4.208 0.01 . . . . . . 87 ALA HA . 6837 1 837 . 1 1 87 87 ALA HB1 H 1 1.463 0.01 . . . . . . 87 ALA HB . 6837 1 838 . 1 1 87 87 ALA HB2 H 1 1.463 0.01 . . . . . . 87 ALA HB . 6837 1 839 . 1 1 87 87 ALA HB3 H 1 1.463 0.01 . . . . . . 87 ALA HB . 6837 1 840 . 1 1 87 87 ALA CA C 13 52.509 0.1 . . . . . . 87 ALA CA . 6837 1 841 . 1 1 87 87 ALA CB C 13 18.936 0.1 . . . . . . 87 ALA CB . 6837 1 842 . 1 1 87 87 ALA N N 15 122.945 0.1 . . . . . . 87 ALA N . 6837 1 843 . 1 1 88 88 ALA HB1 H 1 1.309 0.01 . . . . . . 88 ALA HB . 6837 1 844 . 1 1 88 88 ALA HB2 H 1 1.309 0.01 . . . . . . 88 ALA HB . 6837 1 845 . 1 1 88 88 ALA HB3 H 1 1.309 0.01 . . . . . . 88 ALA HB . 6837 1 846 . 1 1 88 88 ALA CA C 13 52.952 0.1 . . . . . . 88 ALA CA . 6837 1 847 . 1 1 88 88 ALA CB C 13 18.310 0.1 . . . . . . 88 ALA CB . 6837 1 848 . 1 1 89 89 ALA H H 1 7.989 0.01 . . . . . . 89 ALA H . 6837 1 849 . 1 1 89 89 ALA CA C 13 53.269 0.1 . . . . . . 89 ALA CA . 6837 1 850 . 1 1 89 89 ALA CB C 13 19.538 0.1 . . . . . . 89 ALA CB . 6837 1 851 . 1 1 89 89 ALA N N 15 122.183 0.1 . . . . . . 89 ALA N . 6837 1 852 . 1 1 101 101 SER H H 1 8.415 0.01 . . . . . . 101 SER H . 6837 1 853 . 1 1 101 101 SER HA H 1 4.689 0.01 . . . . . . 101 SER HA . 6837 1 854 . 1 1 101 101 SER HB2 H 1 4.389 0.01 . . . . . . 101 SER HB2 . 6837 1 855 . 1 1 101 101 SER C C 13 175.357 0.1 . . . . . . 101 SER C . 6837 1 856 . 1 1 101 101 SER CA C 13 57.211 0.1 . . . . . . 101 SER CA . 6837 1 857 . 1 1 101 101 SER N N 15 113.398 0.1 . . . . . . 101 SER N . 6837 1 858 . 1 1 102 102 ASP H H 1 8.209 0.01 . . . . . . 102 ASP H . 6837 1 859 . 1 1 102 102 ASP HA H 1 4.947 0.01 . . . . . . 102 ASP HA . 6837 1 860 . 1 1 102 102 ASP HB2 H 1 2.875 0.01 . . . . . . 102 ASP HB2 . 6837 1 861 . 1 1 102 102 ASP HB3 H 1 2.487 0.01 . . . . . . 102 ASP HB3 . 6837 1 862 . 1 1 102 102 ASP C C 13 177.554 0.1 . . . . . . 102 ASP C . 6837 1 863 . 1 1 102 102 ASP CA C 13 52.113 0.1 . . . . . . 102 ASP CA . 6837 1 864 . 1 1 102 102 ASP CB C 13 40.028 0.1 . . . . . . 102 ASP CB . 6837 1 865 . 1 1 102 102 ASP N N 15 121.916 0.1 . . . . . . 102 ASP N . 6837 1 866 . 1 1 103 103 ALA H H 1 8.370 0.01 . . . . . . 103 ALA H . 6837 1 867 . 1 1 103 103 ALA C C 13 180.072 0.1 . . . . . . 103 ALA C . 6837 1 868 . 1 1 103 103 ALA CA C 13 56.047 0.1 . . . . . . 103 ALA CA . 6837 1 869 . 1 1 103 103 ALA CB C 13 19.095 0.1 . . . . . . 103 ALA CB . 6837 1 870 . 1 1 103 103 ALA N N 15 118.776 0.1 . . . . . . 103 ALA N . 6837 1 871 . 1 1 104 104 VAL H H 1 9.471 0.01 . . . . . . 104 VAL H . 6837 1 872 . 1 1 104 104 VAL HA H 1 3.422 0.01 . . . . . . 104 VAL HA . 6837 1 873 . 1 1 104 104 VAL HB H 1 2.194 0.01 . . . . . . 104 VAL HB . 6837 1 874 . 1 1 104 104 VAL HG11 H 1 1.030 0.01 . . . . . . 104 VAL HG1 . 6837 1 875 . 1 1 104 104 VAL HG12 H 1 1.030 0.01 . . . . . . 104 VAL HG1 . 6837 1 876 . 1 1 104 104 VAL HG13 H 1 1.030 0.01 . . . . . . 104 VAL HG1 . 6837 1 877 . 1 1 104 104 VAL HG21 H 1 0.906 0.01 . . . . . . 104 VAL HG2 . 6837 1 878 . 1 1 104 104 VAL HG22 H 1 0.906 0.01 . . . . . . 104 VAL HG2 . 6837 1 879 . 1 1 104 104 VAL HG23 H 1 0.906 0.01 . . . . . . 104 VAL HG2 . 6837 1 880 . 1 1 104 104 VAL C C 13 178.438 0.1 . . . . . . 104 VAL C . 6837 1 881 . 1 1 104 104 VAL CA C 13 67.170 0.1 . . . . . . 104 VAL CA . 6837 1 882 . 1 1 104 104 VAL CB C 13 30.717 0.1 . . . . . . 104 VAL CB . 6837 1 883 . 1 1 104 104 VAL CG1 C 13 23.688 0.1 . . . . . . 104 VAL CG1 . 6837 1 884 . 1 1 104 104 VAL N N 15 117.908 0.1 . . . . . . 104 VAL N . 6837 1 885 . 1 1 105 105 GLN H H 1 7.757 0.01 . . . . . . 105 GLN H . 6837 1 886 . 1 1 105 105 GLN HA H 1 3.976 0.01 . . . . . . 105 GLN HA . 6837 1 887 . 1 1 105 105 GLN HB2 H 1 1.866 0.01 . . . . . . 105 GLN HB2 . 6837 1 888 . 1 1 105 105 GLN HG2 H 1 2.198 0.01 . . . . . . 105 GLN HG2 . 6837 1 889 . 1 1 105 105 GLN HG3 H 1 2.128 0.01 . . . . . . 105 GLN HG3 . 6837 1 890 . 1 1 105 105 GLN C C 13 178.614 0.1 . . . . . . 105 GLN C . 6837 1 891 . 1 1 105 105 GLN CA C 13 58.453 0.1 . . . . . . 105 GLN CA . 6837 1 892 . 1 1 105 105 GLN CB C 13 27.150 0.1 . . . . . . 105 GLN CB . 6837 1 893 . 1 1 105 105 GLN N N 15 119.592 0.1 . . . . . . 105 GLN N . 6837 1 894 . 1 1 106 106 ARG H H 1 8.581 0.01 . . . . . . 106 ARG H . 6837 1 895 . 1 1 106 106 ARG HA H 1 3.746 0.01 . . . . . . 106 ARG HA . 6837 1 896 . 1 1 106 106 ARG HB2 H 1 1.836 0.01 . . . . . . 106 ARG HB2 . 6837 1 897 . 1 1 106 106 ARG HG2 H 1 1.619 0.01 . . . . . . 106 ARG HG2 . 6837 1 898 . 1 1 106 106 ARG HD2 H 1 3.086 0.01 . . . . . . 106 ARG HD2 . 6837 1 899 . 1 1 106 106 ARG HD3 H 1 2.539 0.01 . . . . . . 106 ARG HD3 . 6837 1 900 . 1 1 106 106 ARG C C 13 180.486 0.1 . . . . . . 106 ARG C . 6837 1 901 . 1 1 106 106 ARG CA C 13 56.076 0.1 . . . . . . 106 ARG CA . 6837 1 902 . 1 1 106 106 ARG CB C 13 26.940 0.1 . . . . . . 106 ARG CB . 6837 1 903 . 1 1 106 106 ARG CG C 13 27.143 0.1 . . . . . . 106 ARG CG . 6837 1 904 . 1 1 106 106 ARG CD C 13 43.594 0.1 . . . . . . 106 ARG CD . 6837 1 905 . 1 1 106 106 ARG N N 15 117.605 0.1 . . . . . . 106 ARG N . 6837 1 906 . 1 1 107 107 ALA H H 1 8.583 0.01 . . . . . . 107 ALA H . 6837 1 907 . 1 1 107 107 ALA HA H 1 3.950 0.01 . . . . . . 107 ALA HA . 6837 1 908 . 1 1 107 107 ALA HB1 H 1 1.487 0.01 . . . . . . 107 ALA HB . 6837 1 909 . 1 1 107 107 ALA HB2 H 1 1.487 0.01 . . . . . . 107 ALA HB . 6837 1 910 . 1 1 107 107 ALA HB3 H 1 1.487 0.01 . . . . . . 107 ALA HB . 6837 1 911 . 1 1 107 107 ALA C C 13 178.952 0.1 . . . . . . 107 ALA C . 6837 1 912 . 1 1 107 107 ALA CA C 13 55.085 0.1 . . . . . . 107 ALA CA . 6837 1 913 . 1 1 107 107 ALA CB C 13 18.248 0.1 . . . . . . 107 ALA CB . 6837 1 914 . 1 1 107 107 ALA N N 15 122.153 0.1 . . . . . . 107 ALA N . 6837 1 915 . 1 1 108 108 LYS H H 1 8.605 0.01 . . . . . . 108 LYS H . 6837 1 916 . 1 1 108 108 LYS HA H 1 3.908 0.01 . . . . . . 108 LYS HA . 6837 1 917 . 1 1 108 108 LYS HB2 H 1 1.974 0.01 . . . . . . 108 LYS HB2 . 6837 1 918 . 1 1 108 108 LYS HB3 H 1 2.023 0.01 . . . . . . 108 LYS HB3 . 6837 1 919 . 1 1 108 108 LYS HG2 H 1 1.660 0.01 . . . . . . 108 LYS HG2 . 6837 1 920 . 1 1 108 108 LYS HG3 H 1 1.397 0.01 . . . . . . 108 LYS HG3 . 6837 1 921 . 1 1 108 108 LYS HD2 H 1 1.661 0.01 . . . . . . 108 LYS HD2 . 6837 1 922 . 1 1 108 108 LYS C C 13 179.670 0.1 . . . . . . 108 LYS C . 6837 1 923 . 1 1 108 108 LYS CA C 13 59.840 0.1 . . . . . . 108 LYS CA . 6837 1 924 . 1 1 108 108 LYS CB C 13 31.509 0.1 . . . . . . 108 LYS CB . 6837 1 925 . 1 1 108 108 LYS CG C 13 25.689 0.1 . . . . . . 108 LYS CG . 6837 1 926 . 1 1 108 108 LYS CD C 13 28.735 0.1 . . . . . . 108 LYS CD . 6837 1 927 . 1 1 108 108 LYS CE C 13 41.374 0.1 . . . . . . 108 LYS CE . 6837 1 928 . 1 1 108 108 LYS N N 15 119.505 0.1 . . . . . . 108 LYS N . 6837 1 929 . 1 1 109 109 GLU H H 1 8.376 0.01 . . . . . . 109 GLU H . 6837 1 930 . 1 1 109 109 GLU HA H 1 4.137 0.01 . . . . . . 109 GLU HA . 6837 1 931 . 1 1 109 109 GLU HB2 H 1 2.103 0.01 . . . . . . 109 GLU HB2 . 6837 1 932 . 1 1 109 109 GLU HB3 H 1 1.998 0.01 . . . . . . 109 GLU HB3 . 6837 1 933 . 1 1 109 109 GLU HG2 H 1 2.683 0.01 . . . . . . 109 GLU HG2 . 6837 1 934 . 1 1 109 109 GLU HG3 H 1 2.345 0.01 . . . . . . 109 GLU HG3 . 6837 1 935 . 1 1 109 109 GLU C C 13 180.497 0.1 . . . . . . 109 GLU C . 6837 1 936 . 1 1 109 109 GLU CA C 13 59.233 0.1 . . . . . . 109 GLU CA . 6837 1 937 . 1 1 109 109 GLU N N 15 117.691 0.1 . . . . . . 109 GLU N . 6837 1 938 . 1 1 110 110 VAL H H 1 7.535 0.01 . . . . . . 110 VAL H . 6837 1 939 . 1 1 110 110 VAL HA H 1 3.440 0.01 . . . . . . 110 VAL HA . 6837 1 940 . 1 1 110 110 VAL HB H 1 2.266 0.01 . . . . . . 110 VAL HB . 6837 1 941 . 1 1 110 110 VAL HG11 H 1 0.997 0.01 . . . . . . 110 VAL HG1 . 6837 1 942 . 1 1 110 110 VAL HG12 H 1 0.997 0.01 . . . . . . 110 VAL HG1 . 6837 1 943 . 1 1 110 110 VAL HG13 H 1 0.997 0.01 . . . . . . 110 VAL HG1 . 6837 1 944 . 1 1 110 110 VAL C C 13 177.221 0.1 . . . . . . 110 VAL C . 6837 1 945 . 1 1 110 110 VAL CA C 13 66.972 0.1 . . . . . . 110 VAL CA . 6837 1 946 . 1 1 110 110 VAL CG1 C 13 25.939 0.1 . . . . . . 110 VAL CG1 . 6837 1 947 . 1 1 110 110 VAL N N 15 120.283 0.1 . . . . . . 110 VAL N . 6837 1 948 . 1 1 111 111 LEU H H 1 8.495 0.01 . . . . . . 111 LEU H . 6837 1 949 . 1 1 111 111 LEU HA H 1 3.837 0.01 . . . . . . 111 LEU HA . 6837 1 950 . 1 1 111 111 LEU HG H 1 1.271 0.01 . . . . . . 111 LEU HG . 6837 1 951 . 1 1 111 111 LEU HD11 H 1 0.760 0.01 . . . . . . 111 LEU HD1 . 6837 1 952 . 1 1 111 111 LEU HD12 H 1 0.760 0.01 . . . . . . 111 LEU HD1 . 6837 1 953 . 1 1 111 111 LEU HD13 H 1 0.760 0.01 . . . . . . 111 LEU HD1 . 6837 1 954 . 1 1 111 111 LEU HD21 H 1 0.730 0.01 . . . . . . 111 LEU HD2 . 6837 1 955 . 1 1 111 111 LEU HD22 H 1 0.730 0.01 . . . . . . 111 LEU HD2 . 6837 1 956 . 1 1 111 111 LEU HD23 H 1 0.730 0.01 . . . . . . 111 LEU HD2 . 6837 1 957 . 1 1 111 111 LEU C C 13 179.779 0.1 . . . . . . 111 LEU C . 6837 1 958 . 1 1 111 111 LEU CA C 13 57.660 0.1 . . . . . . 111 LEU CA . 6837 1 959 . 1 1 111 111 LEU CB C 13 40.431 0.1 . . . . . . 111 LEU CB . 6837 1 960 . 1 1 111 111 LEU CG C 13 26.228 0.1 . . . . . . 111 LEU CG . 6837 1 961 . 1 1 111 111 LEU CD1 C 13 23.212 0.1 . . . . . . 111 LEU CD1 . 6837 1 962 . 1 1 111 111 LEU N N 15 120.196 0.1 . . . . . . 111 LEU N . 6837 1 963 . 1 1 112 112 GLU H H 1 8.201 0.01 . . . . . . 112 GLU H . 6837 1 964 . 1 1 112 112 GLU HA H 1 3.979 0.01 . . . . . . 112 GLU HA . 6837 1 965 . 1 1 112 112 GLU HB2 H 1 2.106 0.01 . . . . . . 112 GLU HB2 . 6837 1 966 . 1 1 112 112 GLU HG2 H 1 2.401 0.01 . . . . . . 112 GLU HG2 . 6837 1 967 . 1 1 112 112 GLU C C 13 179.071 0.1 . . . . . . 112 GLU C . 6837 1 968 . 1 1 112 112 GLU CA C 13 59.047 0.1 . . . . . . 112 GLU CA . 6837 1 969 . 1 1 112 112 GLU CG C 13 36.066 0.1 . . . . . . 112 GLU CG . 6837 1 970 . 1 1 112 112 GLU N N 15 119.333 0.1 . . . . . . 112 GLU N . 6837 1 971 . 1 1 113 113 GLU H H 1 7.581 0.01 . . . . . . 113 GLU H . 6837 1 972 . 1 1 113 113 GLU HA H 1 4.284 0.01 . . . . . . 113 GLU HA . 6837 1 973 . 1 1 113 113 GLU HB2 H 1 2.089 0.01 . . . . . . 113 GLU HB2 . 6837 1 974 . 1 1 113 113 GLU HG2 H 1 2.254 0.01 . . . . . . 113 GLU HG2 . 6837 1 975 . 1 1 113 113 GLU C C 13 175.132 0.1 . . . . . . 113 GLU C . 6837 1 976 . 1 1 113 113 GLU CA C 13 58.453 0.1 . . . . . . 113 GLU CA . 6837 1 977 . 1 1 113 113 GLU CB C 13 27.978 0.1 . . . . . . 113 GLU CB . 6837 1 978 . 1 1 113 113 GLU CG C 13 29.330 0.1 . . . . . . 113 GLU CG . 6837 1 979 . 1 1 113 113 GLU N N 15 118.901 0.1 . . . . . . 113 GLU N . 6837 1 980 . 1 1 114 114 ILE H H 1 8.434 0.01 . . . . . . 114 ILE H . 6837 1 981 . 1 1 114 114 ILE HA H 1 4.217 0.01 . . . . . . 114 ILE HA . 6837 1 982 . 1 1 114 114 ILE HB H 1 2.209 0.01 . . . . . . 114 ILE HB . 6837 1 983 . 1 1 114 114 ILE HG12 H 1 1.569 0.01 . . . . . . 114 ILE HG12 . 6837 1 984 . 1 1 114 114 ILE HG13 H 1 1.450 0.01 . . . . . . 114 ILE HG13 . 6837 1 985 . 1 1 114 114 ILE HG21 H 1 0.981 0.01 . . . . . . 114 ILE HG2 . 6837 1 986 . 1 1 114 114 ILE HG22 H 1 0.981 0.01 . . . . . . 114 ILE HG2 . 6837 1 987 . 1 1 114 114 ILE HG23 H 1 0.981 0.01 . . . . . . 114 ILE HG2 . 6837 1 988 . 1 1 114 114 ILE HD11 H 1 0.843 0.01 . . . . . . 114 ILE HD1 . 6837 1 989 . 1 1 114 114 ILE HD12 H 1 0.843 0.01 . . . . . . 114 ILE HD1 . 6837 1 990 . 1 1 114 114 ILE HD13 H 1 0.843 0.01 . . . . . . 114 ILE HD1 . 6837 1 991 . 1 1 114 114 ILE C C 13 178.353 0.1 . . . . . . 114 ILE C . 6837 1 992 . 1 1 114 114 ILE CA C 13 63.406 0.1 . . . . . . 114 ILE CA . 6837 1 993 . 1 1 114 114 ILE CB C 13 36.858 0.1 . . . . . . 114 ILE CB . 6837 1 994 . 1 1 114 114 ILE CG1 C 13 24.939 0.1 . . . . . . 114 ILE CG1 . 6837 1 995 . 1 1 114 114 ILE CG2 C 13 17.748 0.1 . . . . . . 114 ILE CG2 . 6837 1 996 . 1 1 114 114 ILE CD1 C 13 14.433 0.1 . . . . . . 114 ILE CD1 . 6837 1 997 . 1 1 114 114 ILE N N 15 109.227 0.1 . . . . . . 114 ILE N . 6837 1 998 . 1 1 115 115 SER H H 1 7.814 0.01 . . . . . . 115 SER H . 6837 1 999 . 1 1 115 115 SER HA H 1 3.994 0.01 . . . . . . 115 SER HA . 6837 1 1000 . 1 1 115 115 SER HB2 H 1 3.877 0.01 . . . . . . 115 SER HB2 . 6837 1 1001 . 1 1 115 115 SER HB3 H 1 3.788 0.01 . . . . . . 115 SER HB3 . 6837 1 1002 . 1 1 115 115 SER C C 13 174.305 0.1 . . . . . . 115 SER C . 6837 1 1003 . 1 1 115 115 SER CA C 13 61.028 0.1 . . . . . . 115 SER CA . 6837 1 1004 . 1 1 115 115 SER CB C 13 62.812 0.1 . . . . . . 115 SER CB . 6837 1 1005 . 1 1 115 115 SER N N 15 117.260 0.1 . . . . . . 115 SER N . 6837 1 1006 . 1 1 116 116 CYS H H 1 7.359 0.01 . . . . . . 116 CYS H . 6837 1 1007 . 1 1 116 116 CYS HA H 1 4.240 0.01 . . . . . . 116 CYS HA . 6837 1 1008 . 1 1 116 116 CYS HB2 H 1 2.779 0.01 . . . . . . 116 CYS HB2 . 6837 1 1009 . 1 1 116 116 CYS HB3 H 1 2.612 0.01 . . . . . . 116 CYS HB3 . 6837 1 1010 . 1 1 116 116 CYS C C 13 173.121 0.1 . . . . . . 116 CYS C . 6837 1 1011 . 1 1 116 116 CYS CA C 13 59.047 0.1 . . . . . . 116 CYS CA . 6837 1 1012 . 1 1 116 116 CYS CB C 13 26.877 0.1 . . . . . . 116 CYS CB . 6837 1 1013 . 1 1 116 116 CYS N N 15 116.223 0.1 . . . . . . 116 CYS N . 6837 1 1014 . 1 1 117 117 TYR H H 1 7.127 0.01 . . . . . . 117 TYR H . 6837 1 1015 . 1 1 117 117 TYR HA H 1 5.060 0.01 . . . . . . 117 TYR HA . 6837 1 1016 . 1 1 117 117 TYR HB2 H 1 3.160 0.01 . . . . . . 117 TYR HB2 . 6837 1 1017 . 1 1 117 117 TYR HB3 H 1 2.647 0.01 . . . . . . 117 TYR HB3 . 6837 1 1018 . 1 1 117 117 TYR HD1 H 1 7.041 0.01 . . . . . . 117 TYR HD1 . 6837 1 1019 . 1 1 117 117 TYR HE1 H 1 6.798 0.01 . . . . . . 117 TYR HE1 . 6837 1 1020 . 1 1 117 117 TYR HE2 H 1 6.807 0.01 . . . . . . 117 TYR HE2 . 6837 1 1021 . 1 1 117 117 TYR CA C 13 55.083 0.1 . . . . . . 117 TYR CA . 6837 1 1022 . 1 1 117 117 TYR CB C 13 37.849 0.1 . . . . . . 117 TYR CB . 6837 1 1023 . 1 1 117 117 TYR CE1 C 13 133.224 0.1 . . . . . . 117 TYR CE1 . 6837 1 1024 . 1 1 117 117 TYR N N 15 117.864 0.1 . . . . . . 117 TYR N . 6837 1 1025 . 1 1 118 118 PRO HA H 1 4.321 0.01 . . . . . . 118 PRO HA . 6837 1 1026 . 1 1 118 118 PRO HB3 H 1 3.416 0.01 . . . . . . 118 PRO HB3 . 6837 1 1027 . 1 1 118 118 PRO HD2 H 1 3.658 0.01 . . . . . . 118 PRO HD2 . 6837 1 1028 . 1 1 118 118 PRO HD3 H 1 3.438 0.01 . . . . . . 118 PRO HD3 . 6837 1 1029 . 1 1 118 118 PRO C C 13 177.363 0.1 . . . . . . 118 PRO C . 6837 1 1030 . 1 1 118 118 PRO CA C 13 63.802 0.1 . . . . . . 118 PRO CA . 6837 1 1031 . 1 1 118 118 PRO CB C 13 31.479 0.1 . . . . . . 118 PRO CB . 6837 1 1032 . 1 1 118 118 PRO CG C 13 26.699 0.1 . . . . . . 118 PRO CG . 6837 1 1033 . 1 1 118 118 PRO CD C 13 50.132 0.1 . . . . . . 118 PRO CD . 6837 1 1034 . 1 1 119 119 GLU H H 1 8.717 0.01 . . . . . . 119 GLU H . 6837 1 1035 . 1 1 119 119 GLU HA H 1 4.314 0.01 . . . . . . 119 GLU HA . 6837 1 1036 . 1 1 119 119 GLU HB2 H 1 1.947 0.01 . . . . . . 119 GLU HB2 . 6837 1 1037 . 1 1 119 119 GLU HB3 H 1 1.831 0.01 . . . . . . 119 GLU HB3 . 6837 1 1038 . 1 1 119 119 GLU HG2 H 1 2.282 0.01 . . . . . . 119 GLU HG2 . 6837 1 1039 . 1 1 119 119 GLU HG3 H 1 2.184 0.01 . . . . . . 119 GLU HG3 . 6837 1 1040 . 1 1 119 119 GLU C C 13 176.003 0.1 . . . . . . 119 GLU C . 6837 1 1041 . 1 1 119 119 GLU CA C 13 55.481 0.1 . . . . . . 119 GLU CA . 6837 1 1042 . 1 1 119 119 GLU CB C 13 28.735 0.1 . . . . . . 119 GLU CB . 6837 1 1043 . 1 1 119 119 GLU N N 15 117.173 0.1 . . . . . . 119 GLU N . 6837 1 1044 . 1 1 120 120 ASN H H 1 7.484 0.01 . . . . . . 120 ASN H . 6837 1 1045 . 1 1 120 120 ASN HA H 1 4.745 0.01 . . . . . . 120 ASN HA . 6837 1 1046 . 1 1 120 120 ASN HB2 H 1 3.003 0.01 . . . . . . 120 ASN HB2 . 6837 1 1047 . 1 1 120 120 ASN HB3 H 1 2.796 0.01 . . . . . . 120 ASN HB3 . 6837 1 1048 . 1 1 120 120 ASN HD21 H 1 7.904 0.01 . . . . . . 120 ASN HD21 . 6837 1 1049 . 1 1 120 120 ASN HD22 H 1 7.273 0.01 . . . . . . 120 ASN HD22 . 6837 1 1050 . 1 1 120 120 ASN C C 13 174.468 0.1 . . . . . . 120 ASN C . 6837 1 1051 . 1 1 120 120 ASN CA C 13 52.091 0.1 . . . . . . 120 ASN CA . 6837 1 1052 . 1 1 120 120 ASN CB C 13 38.572 0.1 . . . . . . 120 ASN CB . 6837 1 1053 . 1 1 120 120 ASN N N 15 119.851 0.1 . . . . . . 120 ASN N . 6837 1 1054 . 1 1 120 120 ASN ND2 N 15 113.140 0.1 . . . . . . 120 ASN ND2 . 6837 1 1055 . 1 1 121 121 ASN H H 1 7.904 0.01 . . . . . . 121 ASN H . 6837 1 1056 . 1 1 121 121 ASN HA H 1 4.478 0.01 . . . . . . 121 ASN HA . 6837 1 1057 . 1 1 121 121 ASN HB2 H 1 2.730 0.01 . . . . . . 121 ASN HB2 . 6837 1 1058 . 1 1 121 121 ASN HB3 H 1 2.622 0.01 . . . . . . 121 ASN HB3 . 6837 1 1059 . 1 1 121 121 ASN C C 13 177.648 0.1 . . . . . . 121 ASN C . 6837 1 1060 . 1 1 121 121 ASN CA C 13 52.089 0.1 . . . . . . 121 ASN CA . 6837 1 1061 . 1 1 121 121 ASN CB C 13 39.517 0.1 . . . . . . 121 ASN CB . 6837 1 1062 . 1 1 121 121 ASN N N 15 123.647 0.1 . . . . . . 121 ASN N . 6837 1 1063 . 1 1 122 122 ASP H H 1 8.120 0.01 . . . . . . 122 ASP H . 6837 1 1064 . 1 1 122 122 ASP HA H 1 4.450 0.01 . . . . . . 122 ASP HA . 6837 1 1065 . 1 1 122 122 ASP HB2 H 1 2.722 0.01 . . . . . . 122 ASP HB2 . 6837 1 1066 . 1 1 122 122 ASP HB3 H 1 2.401 0.01 . . . . . . 122 ASP HB3 . 6837 1 1067 . 1 1 122 122 ASP C C 13 178.303 0.1 . . . . . . 122 ASP C . 6837 1 1068 . 1 1 122 122 ASP CA C 13 56.868 0.1 . . . . . . 122 ASP CA . 6837 1 1069 . 1 1 122 122 ASP CB C 13 40.004 0.1 . . . . . . 122 ASP CB . 6837 1 1070 . 1 1 122 122 ASP N N 15 120.540 0.1 . . . . . . 122 ASP N . 6837 1 1071 . 1 1 123 123 ALA H H 1 8.217 0.01 . . . . . . 123 ALA H . 6837 1 1072 . 1 1 123 123 ALA HA H 1 4.207 0.01 . . . . . . 123 ALA HA . 6837 1 1073 . 1 1 123 123 ALA HB1 H 1 1.357 0.01 . . . . . . 123 ALA HB . 6837 1 1074 . 1 1 123 123 ALA HB2 H 1 1.357 0.01 . . . . . . 123 ALA HB . 6837 1 1075 . 1 1 123 123 ALA HB3 H 1 1.357 0.01 . . . . . . 123 ALA HB . 6837 1 1076 . 1 1 123 123 ALA C C 13 179.147 0.1 . . . . . . 123 ALA C . 6837 1 1077 . 1 1 123 123 ALA CA C 13 54.634 0.1 . . . . . . 123 ALA CA . 6837 1 1078 . 1 1 123 123 ALA CB C 13 17.671 0.1 . . . . . . 123 ALA CB . 6837 1 1079 . 1 1 123 123 ALA N N 15 122.183 0.1 . . . . . . 123 ALA N . 6837 1 1080 . 1 1 124 124 LYS H H 1 8.192 0.01 . . . . . . 124 LYS H . 6837 1 1081 . 1 1 124 124 LYS HA H 1 3.816 0.01 . . . . . . 124 LYS HA . 6837 1 1082 . 1 1 124 124 LYS HB2 H 1 1.914 0.01 . . . . . . 124 LYS HB2 . 6837 1 1083 . 1 1 124 124 LYS HB3 H 1 1.845 0.01 . . . . . . 124 LYS HB3 . 6837 1 1084 . 1 1 124 124 LYS HG2 H 1 0.969 0.01 . . . . . . 124 LYS HG2 . 6837 1 1085 . 1 1 124 124 LYS HG3 H 1 0.697 0.01 . . . . . . 124 LYS HG3 . 6837 1 1086 . 1 1 124 124 LYS HD2 H 1 1.630 0.01 . . . . . . 124 LYS HD2 . 6837 1 1087 . 1 1 124 124 LYS HD3 H 1 1.375 0.01 . . . . . . 124 LYS HD3 . 6837 1 1088 . 1 1 124 124 LYS HZ1 H 1 3.062 0.01 . . . . . . 124 LYS HZ . 6837 1 1089 . 1 1 124 124 LYS HZ2 H 1 3.062 0.01 . . . . . . 124 LYS HZ . 6837 1 1090 . 1 1 124 124 LYS HZ3 H 1 3.062 0.01 . . . . . . 124 LYS HZ . 6837 1 1091 . 1 1 124 124 LYS C C 13 179.561 0.1 . . . . . . 124 LYS C . 6837 1 1092 . 1 1 124 124 LYS CA C 13 59.444 0.1 . . . . . . 124 LYS CA . 6837 1 1093 . 1 1 124 124 LYS CB C 13 31.905 0.1 . . . . . . 124 LYS CB . 6837 1 1094 . 1 1 124 124 LYS CG C 13 24.399 0.1 . . . . . . 124 LYS CG . 6837 1 1095 . 1 1 124 124 LYS CE C 13 41.193 0.1 . . . . . . 124 LYS CE . 6837 1 1096 . 1 1 124 124 LYS N N 15 117.447 0.1 . . . . . . 124 LYS N . 6837 1 1097 . 1 1 125 125 GLU H H 1 7.802 0.01 . . . . . . 125 GLU H . 6837 1 1098 . 1 1 125 125 GLU HA H 1 4.145 0.01 . . . . . . 125 GLU HA . 6837 1 1099 . 1 1 125 125 GLU HB2 H 1 1.947 0.01 . . . . . . 125 GLU HB2 . 6837 1 1100 . 1 1 125 125 GLU HG2 H 1 2.108 0.01 . . . . . . 125 GLU HG2 . 6837 1 1101 . 1 1 125 125 GLU C C 13 177.660 0.1 . . . . . . 125 GLU C . 6837 1 1102 . 1 1 125 125 GLU CA C 13 58.269 0.1 . . . . . . 125 GLU CA . 6837 1 1103 . 1 1 125 125 GLU CB C 13 28.517 0.1 . . . . . . 125 GLU CB . 6837 1 1104 . 1 1 125 125 GLU CG C 13 35.181 0.1 . . . . . . 125 GLU CG . 6837 1 1105 . 1 1 125 125 GLU N N 15 121.406 0.1 . . . . . . 125 GLU N . 6837 1 1106 . 1 1 126 126 LEU H H 1 8.176 0.01 . . . . . . 126 LEU H . 6837 1 1107 . 1 1 126 126 LEU HA H 1 3.736 0.01 . . . . . . 126 LEU HA . 6837 1 1108 . 1 1 126 126 LEU HB2 H 1 1.770 0.01 . . . . . . 126 LEU HB2 . 6837 1 1109 . 1 1 126 126 LEU HB3 H 1 1.640 0.01 . . . . . . 126 LEU HB3 . 6837 1 1110 . 1 1 126 126 LEU HG H 1 1.482 0.01 . . . . . . 126 LEU HG . 6837 1 1111 . 1 1 126 126 LEU HD11 H 1 0.831 0.01 . . . . . . 126 LEU HD1 . 6837 1 1112 . 1 1 126 126 LEU HD12 H 1 0.831 0.01 . . . . . . 126 LEU HD1 . 6837 1 1113 . 1 1 126 126 LEU HD13 H 1 0.831 0.01 . . . . . . 126 LEU HD1 . 6837 1 1114 . 1 1 126 126 LEU HD21 H 1 0.725 0.01 . . . . . . 126 LEU HD2 . 6837 1 1115 . 1 1 126 126 LEU HD22 H 1 0.725 0.01 . . . . . . 126 LEU HD2 . 6837 1 1116 . 1 1 126 126 LEU HD23 H 1 0.725 0.01 . . . . . . 126 LEU HD2 . 6837 1 1117 . 1 1 126 126 LEU C C 13 177.602 0.1 . . . . . . 126 LEU C . 6837 1 1118 . 1 1 126 126 LEU CA C 13 57.660 0.1 . . . . . . 126 LEU CA . 6837 1 1119 . 1 1 126 126 LEU CB C 13 41.217 0.1 . . . . . . 126 LEU CB . 6837 1 1120 . 1 1 126 126 LEU CD1 C 13 25.251 0.1 . . . . . . 126 LEU CD1 . 6837 1 1121 . 1 1 126 126 LEU N N 15 120.542 0.1 . . . . . . 126 LEU N . 6837 1 1122 . 1 1 127 127 LYS H H 1 8.039 0.01 . . . . . . 127 LYS H . 6837 1 1123 . 1 1 127 127 LYS HA H 1 3.656 0.01 . . . . . . 127 LYS HA . 6837 1 1124 . 1 1 127 127 LYS HB2 H 1 1.960 0.01 . . . . . . 127 LYS HB2 . 6837 1 1125 . 1 1 127 127 LYS HB3 H 1 1.720 0.01 . . . . . . 127 LYS HB3 . 6837 1 1126 . 1 1 127 127 LYS HG2 H 1 1.327 0.01 . . . . . . 127 LYS HG2 . 6837 1 1127 . 1 1 127 127 LYS HG3 H 1 1.256 0.01 . . . . . . 127 LYS HG3 . 6837 1 1128 . 1 1 127 127 LYS HD2 H 1 1.614 0.01 . . . . . . 127 LYS HD2 . 6837 1 1129 . 1 1 127 127 LYS HZ1 H 1 2.885 0.01 . . . . . . 127 LYS HZ . 6837 1 1130 . 1 1 127 127 LYS HZ2 H 1 2.885 0.01 . . . . . . 127 LYS HZ . 6837 1 1131 . 1 1 127 127 LYS HZ3 H 1 2.885 0.01 . . . . . . 127 LYS HZ . 6837 1 1132 . 1 1 127 127 LYS C C 13 178.201 0.1 . . . . . . 127 LYS C . 6837 1 1133 . 1 1 127 127 LYS CA C 13 59.245 0.1 . . . . . . 127 LYS CA . 6837 1 1134 . 1 1 127 127 LYS CB C 13 31.794 0.1 . . . . . . 127 LYS CB . 6837 1 1135 . 1 1 127 127 LYS CD C 13 29.330 0.1 . . . . . . 127 LYS CD . 6837 1 1136 . 1 1 127 127 LYS CE C 13 41.217 0.1 . . . . . . 127 LYS CE . 6837 1 1137 . 1 1 127 127 LYS N N 15 116.655 0.1 . . . . . . 127 LYS N . 6837 1 1138 . 1 1 128 128 ARG H H 1 7.782 0.01 . . . . . . 128 ARG H . 6837 1 1139 . 1 1 128 128 ARG HA H 1 3.695 0.01 . . . . . . 128 ARG HA . 6837 1 1140 . 1 1 128 128 ARG HB2 H 1 2.021 0.01 . . . . . . 128 ARG HB2 . 6837 1 1141 . 1 1 128 128 ARG HB3 H 1 1.851 0.01 . . . . . . 128 ARG HB3 . 6837 1 1142 . 1 1 128 128 ARG HG2 H 1 1.636 0.01 . . . . . . 128 ARG HG2 . 6837 1 1143 . 1 1 128 128 ARG HG3 H 1 1.446 0.01 . . . . . . 128 ARG HG3 . 6837 1 1144 . 1 1 128 128 ARG HD2 H 1 3.257 0.01 . . . . . . 128 ARG HD2 . 6837 1 1145 . 1 1 128 128 ARG HD3 H 1 3.042 0.01 . . . . . . 128 ARG HD3 . 6837 1 1146 . 1 1 128 128 ARG C C 13 178.331 0.1 . . . . . . 128 ARG C . 6837 1 1147 . 1 1 128 128 ARG CA C 13 59.047 0.1 . . . . . . 128 ARG CA . 6837 1 1148 . 1 1 128 128 ARG CB C 13 29.330 0.1 . . . . . . 128 ARG CB . 6837 1 1149 . 1 1 128 128 ARG CG C 13 26.358 0.1 . . . . . . 128 ARG CG . 6837 1 1150 . 1 1 128 128 ARG N N 15 120.024 0.1 . . . . . . 128 ARG N . 6837 1 1151 . 1 1 129 129 ILE H H 1 8.006 0.01 . . . . . . 129 ILE H . 6837 1 1152 . 1 1 129 129 ILE HA H 1 3.538 0.01 . . . . . . 129 ILE HA . 6837 1 1153 . 1 1 129 129 ILE HB H 1 1.374 0.01 . . . . . . 129 ILE HB . 6837 1 1154 . 1 1 129 129 ILE HG12 H 1 1.814 0.01 . . . . . . 129 ILE HG12 . 6837 1 1155 . 1 1 129 129 ILE HG13 H 1 0.742 0.01 . . . . . . 129 ILE HG13 . 6837 1 1156 . 1 1 129 129 ILE HG21 H 1 0.742 0.01 . . . . . . 129 ILE HG2 . 6837 1 1157 . 1 1 129 129 ILE HG22 H 1 0.742 0.01 . . . . . . 129 ILE HG2 . 6837 1 1158 . 1 1 129 129 ILE HG23 H 1 0.742 0.01 . . . . . . 129 ILE HG2 . 6837 1 1159 . 1 1 129 129 ILE HD11 H 1 0.480 0.01 . . . . . . 129 ILE HD1 . 6837 1 1160 . 1 1 129 129 ILE HD12 H 1 0.480 0.01 . . . . . . 129 ILE HD1 . 6837 1 1161 . 1 1 129 129 ILE HD13 H 1 0.480 0.01 . . . . . . 129 ILE HD1 . 6837 1 1162 . 1 1 129 129 ILE C C 13 178.952 0.1 . . . . . . 129 ILE C . 6837 1 1163 . 1 1 129 129 ILE CA C 13 64.396 0.1 . . . . . . 129 ILE CA . 6837 1 1164 . 1 1 129 129 ILE CB C 13 38.047 0.1 . . . . . . 129 ILE CB . 6837 1 1165 . 1 1 129 129 ILE CG1 C 13 14.433 0.1 . . . . . . 129 ILE CG1 . 6837 1 1166 . 1 1 129 129 ILE CG2 C 13 14.433 0.1 . . . . . . 129 ILE CG2 . 6837 1 1167 . 1 1 129 129 ILE CD1 C 13 21.062 0.1 . . . . . . 129 ILE CD1 . 6837 1 1168 . 1 1 129 129 ILE N N 15 116.569 0.1 . . . . . . 129 ILE N . 6837 1 1169 . 1 1 130 130 LEU H H 1 7.868 0.01 . . . . . . 130 LEU H . 6837 1 1170 . 1 1 130 130 LEU HA H 1 3.655 0.01 . . . . . . 130 LEU HA . 6837 1 1171 . 1 1 130 130 LEU HB2 H 1 1.783 0.01 . . . . . . 130 LEU HB2 . 6837 1 1172 . 1 1 130 130 LEU HB3 H 1 1.339 0.01 . . . . . . 130 LEU HB3 . 6837 1 1173 . 1 1 130 130 LEU HG H 1 1.639 0.01 . . . . . . 130 LEU HG . 6837 1 1174 . 1 1 130 130 LEU HD21 H 1 0.680 0.01 . . . . . . 130 LEU HD2 . 6837 1 1175 . 1 1 130 130 LEU HD22 H 1 0.680 0.01 . . . . . . 130 LEU HD2 . 6837 1 1176 . 1 1 130 130 LEU HD23 H 1 0.680 0.01 . . . . . . 130 LEU HD2 . 6837 1 1177 . 1 1 130 130 LEU C C 13 175.796 0.1 . . . . . . 130 LEU C . 6837 1 1178 . 1 1 130 130 LEU CA C 13 56.456 0.1 . . . . . . 130 LEU CA . 6837 1 1179 . 1 1 130 130 LEU CB C 13 43.372 0.1 . . . . . . 130 LEU CB . 6837 1 1180 . 1 1 130 130 LEU CG C 13 37.198 0.1 . . . . . . 130 LEU CG . 6837 1 1181 . 1 1 130 130 LEU CD2 C 13 25.376 0.1 . . . . . . 130 LEU CD2 . 6837 1 1182 . 1 1 130 130 LEU N N 15 115.532 0.1 . . . . . . 130 LEU N . 6837 1 1183 . 1 1 131 131 THR H H 1 7.113 0.01 . . . . . . 131 THR H . 6837 1 1184 . 1 1 131 131 THR HA H 1 4.382 0.01 . . . . . . 131 THR HA . 6837 1 1185 . 1 1 131 131 THR HB H 1 4.342 0.01 . . . . . . 131 THR HB . 6837 1 1186 . 1 1 131 131 THR HG21 H 1 1.271 0.01 . . . . . . 131 THR HG2 . 6837 1 1187 . 1 1 131 131 THR HG22 H 1 1.271 0.01 . . . . . . 131 THR HG2 . 6837 1 1188 . 1 1 131 131 THR HG23 H 1 1.271 0.01 . . . . . . 131 THR HG2 . 6837 1 1189 . 1 1 131 131 THR C C 13 176.046 0.1 . . . . . . 131 THR C . 6837 1 1190 . 1 1 131 131 THR CA C 13 61.529 0.1 . . . . . . 131 THR CA . 6837 1 1191 . 1 1 131 131 THR CB C 13 69.151 0.1 . . . . . . 131 THR CB . 6837 1 1192 . 1 1 131 131 THR CG2 C 13 22.615 0.1 . . . . . . 131 THR CG2 . 6837 1 1193 . 1 1 131 131 THR N N 15 121.027 0.1 . . . . . . 131 THR N . 6837 1 1194 . 1 1 132 132 GLN H H 1 7.325 0.01 . . . . . . 132 GLN H . 6837 1 1195 . 1 1 132 132 GLN HA H 1 4.490 0.01 . . . . . . 132 GLN HA . 6837 1 1196 . 1 1 132 132 GLN HB2 H 1 2.133 0.01 . . . . . . 132 GLN HB2 . 6837 1 1197 . 1 1 132 132 GLN HG2 H 1 3.087 0.01 . . . . . . 132 GLN HG2 . 6837 1 1198 . 1 1 132 132 GLN HG3 H 1 2.414 0.01 . . . . . . 132 GLN HG3 . 6837 1 1199 . 1 1 132 132 GLN HE21 H 1 7.475 0.01 . . . . . . 132 GLN HE21 . 6837 1 1200 . 1 1 132 132 GLN HE22 H 1 6.918 0.01 . . . . . . 132 GLN HE22 . 6837 1 1201 . 1 1 132 132 GLN CA C 13 54.292 0.1 . . . . . . 132 GLN CA . 6837 1 1202 . 1 1 132 132 GLN CB C 13 29.949 0.1 . . . . . . 132 GLN CB . 6837 1 1203 . 1 1 132 132 GLN N N 15 124.083 0.1 . . . . . . 132 GLN N . 6837 1 1204 . 1 1 132 132 GLN NE2 N 15 111.935 0.1 . . . . . . 132 GLN NE2 . 6837 1 1205 . 1 1 133 133 PRO C C 13 176.952 0.1 . . . . . . 133 PRO C . 6837 1 1206 . 1 1 134 134 HIS H H 1 8.128 0.01 . . . . . . 134 HIS H . 6837 1 1207 . 1 1 134 134 HIS HA H 1 4.579 0.01 . . . . . . 134 HIS HA . 6837 1 1208 . 1 1 134 134 HIS HB2 H 1 3.222 0.01 . . . . . . 134 HIS HB2 . 6837 1 1209 . 1 1 134 134 HIS HB3 H 1 3.098 0.01 . . . . . . 134 HIS HB3 . 6837 1 1210 . 1 1 134 134 HIS HD1 H 1 6.818 0.01 . . . . . . 134 HIS HD1 . 6837 1 1211 . 1 1 134 134 HIS C C 13 176.666 0.1 . . . . . . 134 HIS C . 6837 1 1212 . 1 1 134 134 HIS CA C 13 58.239 0.1 . . . . . . 134 HIS CA . 6837 1 1213 . 1 1 134 134 HIS CB C 13 29.726 0.1 . . . . . . 134 HIS CB . 6837 1 1214 . 1 1 134 134 HIS N N 15 112.710 0.1 . . . . . . 134 HIS N . 6837 1 1215 . 1 1 135 135 PHE H H 1 7.191 0.01 . . . . . . 135 PHE H . 6837 1 1216 . 1 1 135 135 PHE HA H 1 3.852 0.01 . . . . . . 135 PHE HA . 6837 1 1217 . 1 1 135 135 PHE HB2 H 1 3.387 0.01 . . . . . . 135 PHE HB2 . 6837 1 1218 . 1 1 135 135 PHE HB3 H 1 2.684 0.01 . . . . . . 135 PHE HB3 . 6837 1 1219 . 1 1 135 135 PHE HD1 H 1 7.209 0.01 . . . . . . 135 PHE HD1 . 6837 1 1220 . 1 1 135 135 PHE HE1 H 1 7.062 0.01 . . . . . . 135 PHE HE1 . 6837 1 1221 . 1 1 135 135 PHE HZ H 1 6.941 0.01 . . . . . . 135 PHE HZ . 6837 1 1222 . 1 1 135 135 PHE C C 13 177.461 0.1 . . . . . . 135 PHE C . 6837 1 1223 . 1 1 135 135 PHE CA C 13 61.202 0.1 . . . . . . 135 PHE CA . 6837 1 1224 . 1 1 135 135 PHE CB C 13 40.004 0.1 . . . . . . 135 PHE CB . 6837 1 1225 . 1 1 135 135 PHE N N 15 123.220 0.1 . . . . . . 135 PHE N . 6837 1 1226 . 1 1 136 136 MET H H 1 8.136 0.01 . . . . . . 136 MET H . 6837 1 1227 . 1 1 136 136 MET HA H 1 4.295 0.01 . . . . . . 136 MET HA . 6837 1 1228 . 1 1 136 136 MET HB2 H 1 2.848 0.01 . . . . . . 136 MET HB2 . 6837 1 1229 . 1 1 136 136 MET HB3 H 1 2.722 0.01 . . . . . . 136 MET HB3 . 6837 1 1230 . 1 1 136 136 MET HG2 H 1 3.414 0.01 . . . . . . 136 MET HG2 . 6837 1 1231 . 1 1 136 136 MET HE1 H 1 2.244 0.01 . . . . . . 136 MET HE . 6837 1 1232 . 1 1 136 136 MET HE2 H 1 2.244 0.01 . . . . . . 136 MET HE . 6837 1 1233 . 1 1 136 136 MET HE3 H 1 2.244 0.01 . . . . . . 136 MET HE . 6837 1 1234 . 1 1 136 136 MET C C 13 178.908 0.1 . . . . . . 136 MET C . 6837 1 1235 . 1 1 136 136 MET CA C 13 57.264 0.1 . . . . . . 136 MET CA . 6837 1 1236 . 1 1 136 136 MET CG C 13 29.294 0.1 . . . . . . 136 MET CG . 6837 1 1237 . 1 1 136 136 MET CE C 13 17.748 0.1 . . . . . . 136 MET CE . 6837 1 1238 . 1 1 136 136 MET N N 15 121.002 0.1 . . . . . . 136 MET N . 6837 1 1239 . 1 1 137 137 ALA H H 1 8.091 0.01 . . . . . . 137 ALA H . 6837 1 1240 . 1 1 137 137 ALA HA H 1 4.234 0.01 . . . . . . 137 ALA HA . 6837 1 1241 . 1 1 137 137 ALA HB1 H 1 1.571 0.01 . . . . . . 137 ALA HB . 6837 1 1242 . 1 1 137 137 ALA HB2 H 1 1.571 0.01 . . . . . . 137 ALA HB . 6837 1 1243 . 1 1 137 137 ALA HB3 H 1 1.571 0.01 . . . . . . 137 ALA HB . 6837 1 1244 . 1 1 137 137 ALA C C 13 180.551 0.1 . . . . . . 137 ALA C . 6837 1 1245 . 1 1 137 137 ALA CA C 13 54.292 0.1 . . . . . . 137 ALA CA . 6837 1 1246 . 1 1 137 137 ALA CB C 13 18.310 0.1 . . . . . . 137 ALA CB . 6837 1 1247 . 1 1 137 137 ALA N N 15 121.698 0.1 . . . . . . 137 ALA N . 6837 1 1248 . 1 1 138 138 LEU H H 1 7.279 0.01 . . . . . . 138 LEU H . 6837 1 1249 . 1 1 138 138 LEU HA H 1 4.212 0.01 . . . . . . 138 LEU HA . 6837 1 1250 . 1 1 138 138 LEU HB2 H 1 0.872 0.01 . . . . . . 138 LEU HB2 . 6837 1 1251 . 1 1 138 138 LEU HG H 1 0.405 0.01 . . . . . . 138 LEU HG . 6837 1 1252 . 1 1 138 138 LEU HD11 H 1 1.020 0.01 . . . . . . 138 LEU HD1 . 6837 1 1253 . 1 1 138 138 LEU HD12 H 1 1.020 0.01 . . . . . . 138 LEU HD1 . 6837 1 1254 . 1 1 138 138 LEU HD13 H 1 1.020 0.01 . . . . . . 138 LEU HD1 . 6837 1 1255 . 1 1 138 138 LEU HD21 H 1 0.295 0.01 . . . . . . 138 LEU HD2 . 6837 1 1256 . 1 1 138 138 LEU HD22 H 1 0.295 0.01 . . . . . . 138 LEU HD2 . 6837 1 1257 . 1 1 138 138 LEU HD23 H 1 0.295 0.01 . . . . . . 138 LEU HD2 . 6837 1 1258 . 1 1 138 138 LEU C C 13 178.258 0.1 . . . . . . 138 LEU C . 6837 1 1259 . 1 1 138 138 LEU CA C 13 57.529 0.1 . . . . . . 138 LEU CA . 6837 1 1260 . 1 1 138 138 LEU CB C 13 38.748 0.1 . . . . . . 138 LEU CB . 6837 1 1261 . 1 1 138 138 LEU CG C 13 26.502 0.1 . . . . . . 138 LEU CG . 6837 1 1262 . 1 1 138 138 LEU CD1 C 13 21.987 0.1 . . . . . . 138 LEU CD1 . 6837 1 1263 . 1 1 138 138 LEU N N 15 123.392 0.1 . . . . . . 138 LEU N . 6837 1 1264 . 1 1 139 139 LEU H H 1 7.569 0.01 . . . . . . 139 LEU H . 6837 1 1265 . 1 1 139 139 LEU HA H 1 3.726 0.01 . . . . . . 139 LEU HA . 6837 1 1266 . 1 1 139 139 LEU HB2 H 1 2.299 0.01 . . . . . . 139 LEU HB2 . 6837 1 1267 . 1 1 139 139 LEU HB3 H 1 1.671 0.01 . . . . . . 139 LEU HB3 . 6837 1 1268 . 1 1 139 139 LEU HG H 1 0.866 0.01 . . . . . . 139 LEU HG . 6837 1 1269 . 1 1 139 139 LEU HD11 H 1 0.579 0.01 . . . . . . 139 LEU HD1 . 6837 1 1270 . 1 1 139 139 LEU HD12 H 1 0.579 0.01 . . . . . . 139 LEU HD1 . 6837 1 1271 . 1 1 139 139 LEU HD13 H 1 0.579 0.01 . . . . . . 139 LEU HD1 . 6837 1 1272 . 1 1 139 139 LEU HD21 H 1 0.584 0.01 . . . . . . 139 LEU HD2 . 6837 1 1273 . 1 1 139 139 LEU HD22 H 1 0.584 0.01 . . . . . . 139 LEU HD2 . 6837 1 1274 . 1 1 139 139 LEU HD23 H 1 0.584 0.01 . . . . . . 139 LEU HD2 . 6837 1 1275 . 1 1 139 139 LEU C C 13 178.081 0.1 . . . . . . 139 LEU C . 6837 1 1276 . 1 1 139 139 LEU CA C 13 57.660 0.1 . . . . . . 139 LEU CA . 6837 1 1277 . 1 1 139 139 LEU CB C 13 40.028 0.1 . . . . . . 139 LEU CB . 6837 1 1278 . 1 1 139 139 LEU CG C 13 26.358 0.1 . . . . . . 139 LEU CG . 6837 1 1279 . 1 1 139 139 LEU N N 15 117.778 0.1 . . . . . . 139 LEU N . 6837 1 1280 . 1 1 140 140 GLN H H 1 8.145 0.01 . . . . . . 140 GLN H . 6837 1 1281 . 1 1 140 140 GLN HA H 1 4.121 0.01 . . . . . . 140 GLN HA . 6837 1 1282 . 1 1 140 140 GLN HB2 H 1 2.454 0.01 . . . . . . 140 GLN HB2 . 6837 1 1283 . 1 1 140 140 GLN HG2 H 1 2.094 0.01 . . . . . . 140 GLN HG2 . 6837 1 1284 . 1 1 140 140 GLN HE21 H 1 7.481 0.01 . . . . . . 140 GLN HE21 . 6837 1 1285 . 1 1 140 140 GLN HE22 H 1 6.936 0.01 . . . . . . 140 GLN HE22 . 6837 1 1286 . 1 1 140 140 GLN CA C 13 55.674 0.1 . . . . . . 140 GLN CA . 6837 1 1287 . 1 1 140 140 GLN CB C 13 29.975 0.1 . . . . . . 140 GLN CB . 6837 1 1288 . 1 1 140 140 GLN CG C 13 35.678 0.1 . . . . . . 140 GLN CG . 6837 1 1289 . 1 1 140 140 GLN N N 15 117.135 0.1 . . . . . . 140 GLN N . 6837 1 1290 . 1 1 140 140 GLN NE2 N 15 109.354 0.1 . . . . . . 140 GLN NE2 . 6837 1 1291 . 1 1 141 141 THR H H 1 7.902 0.01 . . . . . . 141 THR H . 6837 1 1292 . 1 1 141 141 THR HA H 1 4.705 0.01 . . . . . . 141 THR HA . 6837 1 1293 . 1 1 141 141 THR HB H 1 3.810 0.01 . . . . . . 141 THR HB . 6837 1 1294 . 1 1 141 141 THR HG21 H 1 0.917 0.01 . . . . . . 141 THR HG2 . 6837 1 1295 . 1 1 141 141 THR HG22 H 1 0.917 0.01 . . . . . . 141 THR HG2 . 6837 1 1296 . 1 1 141 141 THR HG23 H 1 0.917 0.01 . . . . . . 141 THR HG2 . 6837 1 1297 . 1 1 141 141 THR CA C 13 57.822 0.1 . . . . . . 141 THR CA . 6837 1 1298 . 1 1 141 141 THR CB C 13 67.014 0.1 . . . . . . 141 THR CB . 6837 1 1299 . 1 1 141 141 THR CG2 C 13 18.433 0.1 . . . . . . 141 THR CG2 . 6837 1 1300 . 1 1 141 141 THR N N 15 120.762 0.1 . . . . . . 141 THR N . 6837 1 1301 . 1 1 142 142 HIS H H 1 8.016 0.01 . . . . . . 142 HIS H . 6837 1 1302 . 1 1 142 142 HIS HA H 1 3.853 0.01 . . . . . . 142 HIS HA . 6837 1 1303 . 1 1 142 142 HIS HD1 H 1 7.907 0.01 . . . . . . 142 HIS HD1 . 6837 1 1304 . 1 1 142 142 HIS HE1 H 1 7.363 0.01 . . . . . . 142 HIS HE1 . 6837 1 1305 . 1 1 142 142 HIS CA C 13 60.632 0.1 . . . . . . 142 HIS CA . 6837 1 1306 . 1 1 142 142 HIS CD2 C 13 136.934 0.1 . . . . . . 142 HIS CD2 . 6837 1 1307 . 1 1 142 142 HIS CE1 C 13 120.517 0.1 . . . . . . 142 HIS CE1 . 6837 1 1308 . 1 1 142 142 HIS N N 15 117.998 0.1 . . . . . . 142 HIS N . 6837 1 1309 . 1 1 143 143 ASP H H 1 7.865 0.01 . . . . . . 143 ASP H . 6837 1 1310 . 1 1 143 143 ASP HA H 1 4.381 0.01 . . . . . . 143 ASP HA . 6837 1 1311 . 1 1 143 143 ASP HB2 H 1 2.893 0.01 . . . . . . 143 ASP HB2 . 6837 1 1312 . 1 1 143 143 ASP C C 13 178.007 0.1 . . . . . . 143 ASP C . 6837 1 1313 . 1 1 143 143 ASP CA C 13 57.462 0.1 . . . . . . 143 ASP CA . 6837 1 1314 . 1 1 143 143 ASP CB C 13 39.434 0.1 . . . . . . 143 ASP CB . 6837 1 1315 . 1 1 143 143 ASP N N 15 120.367 0.1 . . . . . . 143 ASP N . 6837 1 1316 . 1 1 144 144 VAL H H 1 8.039 0.01 . . . . . . 144 VAL H . 6837 1 1317 . 1 1 144 144 VAL HA H 1 3.841 0.01 . . . . . . 144 VAL HA . 6837 1 1318 . 1 1 144 144 VAL HB H 1 1.983 0.01 . . . . . . 144 VAL HB . 6837 1 1319 . 1 1 144 144 VAL HG11 H 1 0.921 0.01 . . . . . . 144 VAL HG1 . 6837 1 1320 . 1 1 144 144 VAL HG12 H 1 0.921 0.01 . . . . . . 144 VAL HG1 . 6837 1 1321 . 1 1 144 144 VAL HG13 H 1 0.921 0.01 . . . . . . 144 VAL HG1 . 6837 1 1322 . 1 1 144 144 VAL HG21 H 1 0.754 0.01 . . . . . . 144 VAL HG2 . 6837 1 1323 . 1 1 144 144 VAL HG22 H 1 0.754 0.01 . . . . . . 144 VAL HG2 . 6837 1 1324 . 1 1 144 144 VAL HG23 H 1 0.754 0.01 . . . . . . 144 VAL HG2 . 6837 1 1325 . 1 1 144 144 VAL C C 13 177.228 0.1 . . . . . . 144 VAL C . 6837 1 1326 . 1 1 144 144 VAL CA C 13 64.000 0.1 . . . . . . 144 VAL CA . 6837 1 1327 . 1 1 144 144 VAL CB C 13 31.509 0.1 . . . . . . 144 VAL CB . 6837 1 1328 . 1 1 144 144 VAL N N 15 118.171 0.1 . . . . . . 144 VAL N . 6837 1 1329 . 1 1 145 145 VAL H H 1 8.582 0.01 . . . . . . 145 VAL H . 6837 1 1330 . 1 1 145 145 VAL HA H 1 3.808 0.01 . . . . . . 145 VAL HA . 6837 1 1331 . 1 1 145 145 VAL HB H 1 2.254 0.01 . . . . . . 145 VAL HB . 6837 1 1332 . 1 1 145 145 VAL HG11 H 1 1.165 0.01 . . . . . . 145 VAL HG1 . 6837 1 1333 . 1 1 145 145 VAL HG12 H 1 1.165 0.01 . . . . . . 145 VAL HG1 . 6837 1 1334 . 1 1 145 145 VAL HG13 H 1 1.165 0.01 . . . . . . 145 VAL HG1 . 6837 1 1335 . 1 1 145 145 VAL HG21 H 1 1.019 0.01 . . . . . . 145 VAL HG2 . 6837 1 1336 . 1 1 145 145 VAL HG22 H 1 1.019 0.01 . . . . . . 145 VAL HG2 . 6837 1 1337 . 1 1 145 145 VAL HG23 H 1 1.019 0.01 . . . . . . 145 VAL HG2 . 6837 1 1338 . 1 1 145 145 VAL C C 13 177.580 0.1 . . . . . . 145 VAL C . 6837 1 1339 . 1 1 145 145 VAL CA C 13 59.994 0.1 . . . . . . 145 VAL CA . 6837 1 1340 . 1 1 145 145 VAL CB C 13 35.196 0.1 . . . . . . 145 VAL CB . 6837 1 1341 . 1 1 145 145 VAL CG1 C 13 72.916 0.1 . . . . . . 145 VAL CG1 . 6837 1 1342 . 1 1 145 145 VAL N N 15 119.467 0.1 . . . . . . 145 VAL N . 6837 1 1343 . 1 1 146 146 ALA H H 1 8.434 0.01 . . . . . . 146 ALA H . 6837 1 1344 . 1 1 146 146 ALA HA H 1 3.839 0.01 . . . . . . 146 ALA HA . 6837 1 1345 . 1 1 146 146 ALA HB1 H 1 1.181 0.01 . . . . . . 146 ALA HB . 6837 1 1346 . 1 1 146 146 ALA HB2 H 1 1.181 0.01 . . . . . . 146 ALA HB . 6837 1 1347 . 1 1 146 146 ALA HB3 H 1 1.181 0.01 . . . . . . 146 ALA HB . 6837 1 1348 . 1 1 146 146 ALA C C 13 179.300 0.1 . . . . . . 146 ALA C . 6837 1 1349 . 1 1 146 146 ALA CA C 13 54.491 0.1 . . . . . . 146 ALA CA . 6837 1 1350 . 1 1 146 146 ALA CB C 13 22.813 0.1 . . . . . . 146 ALA CB . 6837 1 1351 . 1 1 146 146 ALA N N 15 119.851 0.1 . . . . . . 146 ALA N . 6837 1 1352 . 1 1 147 147 HIS H H 1 7.978 0.01 . . . . . . 147 HIS H . 6837 1 1353 . 1 1 147 147 HIS HA H 1 4.361 0.01 . . . . . . 147 HIS HA . 6837 1 1354 . 1 1 147 147 HIS HB2 H 1 3.377 0.01 . . . . . . 147 HIS HB2 . 6837 1 1355 . 1 1 147 147 HIS HD1 H 1 7.272 0.01 . . . . . . 147 HIS HD1 . 6837 1 1356 . 1 1 147 147 HIS C C 13 177.120 0.1 . . . . . . 147 HIS C . 6837 1 1357 . 1 1 147 147 HIS CA C 13 58.255 0.1 . . . . . . 147 HIS CA . 6837 1 1358 . 1 1 147 147 HIS CB C 13 28.933 0.1 . . . . . . 147 HIS CB . 6837 1 1359 . 1 1 147 147 HIS N N 15 112.768 0.1 . . . . . . 147 HIS N . 6837 1 1360 . 1 1 148 148 GLU H H 1 7.915 0.01 . . . . . . 148 GLU H . 6837 1 1361 . 1 1 148 148 GLU HA H 1 4.396 0.01 . . . . . . 148 GLU HA . 6837 1 1362 . 1 1 148 148 GLU HB2 H 1 2.295 0.01 . . . . . . 148 GLU HB2 . 6837 1 1363 . 1 1 148 148 GLU HB3 H 1 2.079 0.01 . . . . . . 148 GLU HB3 . 6837 1 1364 . 1 1 148 148 GLU HG2 H 1 2.405 0.01 . . . . . . 148 GLU HG2 . 6837 1 1365 . 1 1 148 148 GLU C C 13 178.667 0.1 . . . . . . 148 GLU C . 6837 1 1366 . 1 1 148 148 GLU CA C 13 58.651 0.1 . . . . . . 148 GLU CA . 6837 1 1367 . 1 1 148 148 GLU N N 15 117.528 0.1 . . . . . . 148 GLU N . 6837 1 1368 . 1 1 149 149 VAL H H 1 8.157 0.01 . . . . . . 149 VAL H . 6837 1 1369 . 1 1 149 149 VAL HA H 1 3.872 0.01 . . . . . . 149 VAL HA . 6837 1 1370 . 1 1 149 149 VAL HB H 1 1.836 0.01 . . . . . . 149 VAL HB . 6837 1 1371 . 1 1 149 149 VAL HG11 H 1 0.708 0.01 . . . . . . 149 VAL HG1 . 6837 1 1372 . 1 1 149 149 VAL HG12 H 1 0.708 0.01 . . . . . . 149 VAL HG1 . 6837 1 1373 . 1 1 149 149 VAL HG13 H 1 0.708 0.01 . . . . . . 149 VAL HG1 . 6837 1 1374 . 1 1 149 149 VAL HG21 H 1 0.536 0.01 . . . . . . 149 VAL HG2 . 6837 1 1375 . 1 1 149 149 VAL HG22 H 1 0.536 0.01 . . . . . . 149 VAL HG2 . 6837 1 1376 . 1 1 149 149 VAL HG23 H 1 0.536 0.01 . . . . . . 149 VAL HG2 . 6837 1 1377 . 1 1 149 149 VAL C C 13 176.748 0.1 . . . . . . 149 VAL C . 6837 1 1378 . 1 1 149 149 VAL CA C 13 64.000 0.1 . . . . . . 149 VAL CA . 6837 1 1379 . 1 1 149 149 VAL CB C 13 31.311 0.1 . . . . . . 149 VAL CB . 6837 1 1380 . 1 1 149 149 VAL N N 15 115.463 0.1 . . . . . . 149 VAL N . 6837 1 1381 . 1 1 150 150 TYR H H 1 7.698 0.01 . . . . . . 150 TYR H . 6837 1 1382 . 1 1 150 150 TYR HA H 1 4.538 0.01 . . . . . . 150 TYR HA . 6837 1 1383 . 1 1 150 150 TYR HB2 H 1 3.043 0.01 . . . . . . 150 TYR HB2 . 6837 1 1384 . 1 1 150 150 TYR HB3 H 1 2.927 0.01 . . . . . . 150 TYR HB3 . 6837 1 1385 . 1 1 150 150 TYR HD1 H 1 6.963 0.01 . . . . . . 150 TYR HD1 . 6837 1 1386 . 1 1 150 150 TYR HE1 H 1 6.449 0.01 . . . . . . 150 TYR HE1 . 6837 1 1387 . 1 1 150 150 TYR C C 13 176.121 0.1 . . . . . . 150 TYR C . 6837 1 1388 . 1 1 150 150 TYR CA C 13 56.383 0.1 . . . . . . 150 TYR CA . 6837 1 1389 . 1 1 150 150 TYR CD1 C 13 132.575 0.1 . . . . . . 150 TYR CD1 . 6837 1 1390 . 1 1 150 150 TYR CE1 C 13 117.734 0.1 . . . . . . 150 TYR CE1 . 6837 1 1391 . 1 1 150 150 TYR N N 15 117.700 0.1 . . . . . . 150 TYR N . 6837 1 1392 . 1 1 151 151 SER H H 1 7.865 0.01 . . . . . . 151 SER H . 6837 1 1393 . 1 1 151 151 SER HA H 1 4.481 0.01 . . . . . . 151 SER HA . 6837 1 1394 . 1 1 151 151 SER HB2 H 1 3.929 0.01 . . . . . . 151 SER HB2 . 6837 1 1395 . 1 1 151 151 SER C C 13 174.550 0.1 . . . . . . 151 SER C . 6837 1 1396 . 1 1 151 151 SER CA C 13 58.651 0.1 . . . . . . 151 SER CA . 6837 1 1397 . 1 1 151 151 SER CB C 13 66.774 0.1 . . . . . . 151 SER CB . 6837 1 1398 . 1 1 151 151 SER N N 15 122.058 0.1 . . . . . . 151 SER N . 6837 1 1399 . 1 1 152 152 ASP H H 1 8.185 0.01 . . . . . . 152 ASP H . 6837 1 1400 . 1 1 152 152 ASP HA H 1 4.517 0.01 . . . . . . 152 ASP HA . 6837 1 1401 . 1 1 152 152 ASP HB2 H 1 2.711 0.01 . . . . . . 152 ASP HB2 . 6837 1 1402 . 1 1 152 152 ASP C C 13 177.294 0.1 . . . . . . 152 ASP C . 6837 1 1403 . 1 1 152 152 ASP CA C 13 54.491 0.1 . . . . . . 152 ASP CA . 6837 1 1404 . 1 1 152 152 ASP CB C 13 40.523 0.1 . . . . . . 152 ASP CB . 6837 1 1405 . 1 1 152 152 ASP N N 15 122.529 0.1 . . . . . . 152 ASP N . 6837 1 1406 . 1 1 153 153 GLU H H 1 8.469 0.01 . . . . . . 153 GLU H . 6837 1 1407 . 1 1 153 153 GLU HA H 1 4.060 0.01 . . . . . . 153 GLU HA . 6837 1 1408 . 1 1 153 153 GLU HB2 H 1 2.044 0.01 . . . . . . 153 GLU HB2 . 6837 1 1409 . 1 1 153 153 GLU HB3 H 1 1.975 0.01 . . . . . . 153 GLU HB3 . 6837 1 1410 . 1 1 153 153 GLU HG2 H 1 2.290 0.01 . . . . . . 153 GLU HG2 . 6837 1 1411 . 1 1 153 153 GLU C C 13 177.717 0.1 . . . . . . 153 GLU C . 6837 1 1412 . 1 1 153 153 GLU CA C 13 57.264 0.1 . . . . . . 153 GLU CA . 6837 1 1413 . 1 1 153 153 GLU N N 15 122.183 0.1 . . . . . . 153 GLU N . 6837 1 1414 . 1 1 154 154 ALA H H 1 8.123 0.01 . . . . . . 154 ALA H . 6837 1 1415 . 1 1 154 154 ALA HA H 1 4.147 0.01 . . . . . . 154 ALA HA . 6837 1 1416 . 1 1 154 154 ALA HB1 H 1 1.380 0.01 . . . . . . 154 ALA HB . 6837 1 1417 . 1 1 154 154 ALA HB2 H 1 1.380 0.01 . . . . . . 154 ALA HB . 6837 1 1418 . 1 1 154 154 ALA HB3 H 1 1.380 0.01 . . . . . . 154 ALA HB . 6837 1 1419 . 1 1 154 154 ALA C C 13 178.505 0.1 . . . . . . 154 ALA C . 6837 1 1420 . 1 1 154 154 ALA CA C 13 52.906 0.1 . . . . . . 154 ALA CA . 6837 1 1421 . 1 1 154 154 ALA CB C 13 19.186 0.1 . . . . . . 154 ALA CB . 6837 1 1422 . 1 1 154 154 ALA N N 15 122.356 0.1 . . . . . . 154 ALA N . 6837 1 1423 . 1 1 155 155 LEU H H 1 7.784 0.01 . . . . . . 155 LEU H . 6837 1 1424 . 1 1 155 155 LEU HA H 1 4.278 0.01 . . . . . . 155 LEU HA . 6837 1 1425 . 1 1 155 155 LEU HB2 H 1 1.720 0.01 . . . . . . 155 LEU HB2 . 6837 1 1426 . 1 1 155 155 LEU HB3 H 1 1.626 0.01 . . . . . . 155 LEU HB3 . 6837 1 1427 . 1 1 155 155 LEU HG H 1 0.867 0.01 . . . . . . 155 LEU HG . 6837 1 1428 . 1 1 155 155 LEU CA C 13 54.689 0.1 . . . . . . 155 LEU CA . 6837 1 1429 . 1 1 155 155 LEU CB C 13 41.613 0.1 . . . . . . 155 LEU CB . 6837 1 1430 . 1 1 155 155 LEU CD1 C 13 24.411 0.1 . . . . . . 155 LEU CD1 . 6837 1 1431 . 1 1 155 155 LEU CD2 C 13 22.526 0.1 . . . . . . 155 LEU CD2 . 6837 1 1432 . 1 1 155 155 LEU N N 15 118.037 0.1 . . . . . . 155 LEU N . 6837 1 1433 . 1 1 156 156 ARG H H 1 7.854 0.01 . . . . . . 156 ARG H . 6837 1 1434 . 1 1 156 156 ARG HA H 1 4.309 0.01 . . . . . . 156 ARG HA . 6837 1 1435 . 1 1 156 156 ARG HB2 H 1 1.792 0.01 . . . . . . 156 ARG HB2 . 6837 1 1436 . 1 1 156 156 ARG HB3 H 1 1.606 0.01 . . . . . . 156 ARG HB3 . 6837 1 1437 . 1 1 156 156 ARG HG2 H 1 1.649 0.01 . . . . . . 156 ARG HG2 . 6837 1 1438 . 1 1 156 156 ARG HG3 H 1 1.578 0.01 . . . . . . 156 ARG HG3 . 6837 1 1439 . 1 1 156 156 ARG HD2 H 1 3.166 0.01 . . . . . . 156 ARG HD2 . 6837 1 1440 . 1 1 156 156 ARG C C 13 176.209 0.1 . . . . . . 156 ARG C . 6837 1 1441 . 1 1 156 156 ARG CA C 13 55.877 0.1 . . . . . . 156 ARG CA . 6837 1 1442 . 1 1 156 156 ARG CB C 13 29.726 0.1 . . . . . . 156 ARG CB . 6837 1 1443 . 1 1 156 156 ARG CG C 13 26.952 0.1 . . . . . . 156 ARG CG . 6837 1 1444 . 1 1 156 156 ARG CD C 13 42.802 0.1 . . . . . . 156 ARG CD . 6837 1 1445 . 1 1 156 156 ARG N N 15 120.456 0.1 . . . . . . 156 ARG N . 6837 1 1446 . 1 1 157 157 VAL H H 1 7.978 0.01 . . . . . . 157 VAL H . 6837 1 1447 . 1 1 157 157 VAL HA H 1 4.229 0.01 . . . . . . 157 VAL HA . 6837 1 1448 . 1 1 157 157 VAL HB H 1 2.042 0.01 . . . . . . 157 VAL HB . 6837 1 1449 . 1 1 157 157 VAL HG11 H 1 0.875 0.01 . . . . . . 157 VAL HG1 . 6837 1 1450 . 1 1 157 157 VAL HG12 H 1 0.875 0.01 . . . . . . 157 VAL HG1 . 6837 1 1451 . 1 1 157 157 VAL HG13 H 1 0.875 0.01 . . . . . . 157 VAL HG1 . 6837 1 1452 . 1 1 157 157 VAL HG21 H 1 0.859 0.01 . . . . . . 157 VAL HG2 . 6837 1 1453 . 1 1 157 157 VAL HG22 H 1 0.859 0.01 . . . . . . 157 VAL HG2 . 6837 1 1454 . 1 1 157 157 VAL HG23 H 1 0.859 0.01 . . . . . . 157 VAL HG2 . 6837 1 1455 . 1 1 157 157 VAL C C 13 175.197 0.1 . . . . . . 157 VAL C . 6837 1 1456 . 1 1 157 157 VAL CA C 13 61.710 0.1 . . . . . . 157 VAL CA . 6837 1 1457 . 1 1 157 157 VAL CG1 C 13 22.961 0.1 . . . . . . 157 VAL CG1 . 6837 1 1458 . 1 1 157 157 VAL CG2 C 13 21.546 0.1 . . . . . . 157 VAL CG2 . 6837 1 1459 . 1 1 157 157 VAL N N 15 120.369 0.1 . . . . . . 157 VAL N . 6837 1 1460 . 1 1 158 158 THR H H 1 8.246 0.01 . . . . . . 158 THR H . 6837 1 1461 . 1 1 158 158 THR HA H 1 4.488 0.01 . . . . . . 158 THR HA . 6837 1 1462 . 1 1 158 158 THR HB H 1 4.140 0.01 . . . . . . 158 THR HB . 6837 1 1463 . 1 1 158 158 THR HG21 H 1 1.199 0.01 . . . . . . 158 THR HG2 . 6837 1 1464 . 1 1 158 158 THR HG22 H 1 1.199 0.01 . . . . . . 158 THR HG2 . 6837 1 1465 . 1 1 158 158 THR HG23 H 1 1.199 0.01 . . . . . . 158 THR HG2 . 6837 1 1466 . 1 1 158 158 THR CA C 13 58.619 0.1 . . . . . . 158 THR CA . 6837 1 1467 . 1 1 158 158 THR CB C 13 69.816 0.1 . . . . . . 158 THR CB . 6837 1 1468 . 1 1 158 158 THR N N 15 121.146 0.1 . . . . . . 158 THR N . 6837 1 1469 . 1 1 159 159 PRO HB3 H 1 2.009 0.01 . . . . . . 159 PRO HB3 . 6837 1 1470 . 1 1 161 161 PRO C C 13 177.204 0.1 . . . . . . 161 PRO C . 6837 1 1471 . 1 1 161 161 PRO CA C 13 62.596 0.1 . . . . . . 161 PRO CA . 6837 1 1472 . 1 1 161 161 PRO CB C 13 31.287 0.1 . . . . . . 161 PRO CB . 6837 1 1473 . 1 1 162 162 THR H H 1 8.217 0.01 . . . . . . 162 THR H . 6837 1 1474 . 1 1 162 162 THR HA H 1 4.376 0.01 . . . . . . 162 THR HA . 6837 1 1475 . 1 1 162 162 THR HB H 1 4.100 0.01 . . . . . . 162 THR HB . 6837 1 1476 . 1 1 162 162 THR HG21 H 1 1.294 0.01 . . . . . . 162 THR HG2 . 6837 1 1477 . 1 1 162 162 THR HG22 H 1 1.294 0.01 . . . . . . 162 THR HG2 . 6837 1 1478 . 1 1 162 162 THR HG23 H 1 1.294 0.01 . . . . . . 162 THR HG2 . 6837 1 1479 . 1 1 162 162 THR C C 13 173.554 0.1 . . . . . . 162 THR C . 6837 1 1480 . 1 1 162 162 THR CA C 13 61.283 0.1 . . . . . . 162 THR CA . 6837 1 1481 . 1 1 162 162 THR CB C 13 69.805 0.1 . . . . . . 162 THR CB . 6837 1 1482 . 1 1 162 162 THR CG2 C 13 21.437 0.1 . . . . . . 162 THR CG2 . 6837 1 1483 . 1 1 162 162 THR N N 15 114.001 0.1 . . . . . . 162 THR N . 6837 1 1484 . 1 1 163 163 SER H H 1 7.971 0.01 . . . . . . 163 SER H . 6837 1 1485 . 1 1 163 163 SER HB2 H 1 4.336 0.01 . . . . . . 163 SER HB2 . 6837 1 1486 . 1 1 163 163 SER CA C 13 55.200 0.1 . . . . . . 163 SER CA . 6837 1 1487 . 1 1 163 163 SER CB C 13 63.659 0.1 . . . . . . 163 SER CB . 6837 1 1488 . 1 1 163 163 SER N N 15 116.815 0.1 . . . . . . 163 SER N . 6837 1 stop_ save_