data_34077 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34077 _Entry.Title ; Solution structure of the cinaciguat bound human beta1 H-NOX. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-12-13 _Entry.Accession_date 2016-12-13 _Entry.Last_release_date 2017-01-13 _Entry.Original_release_date 2017-01-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 M. Matzapetakis M. . . . 34077 2 I. Saraiva I. H. . . 34077 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID H-NOX . 34077 cinaciguat . 34077 lyase . 34077 'soluble guanylate cyclase' . 34077 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 34077 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 890 34077 '15N chemical shifts' 365 34077 '1H chemical shifts' 1299 34077 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2018-06-07 . original BMRB . 34077 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5MNW 'BMRB Entry Tracking System' 34077 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34077 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the cinaciguat bound human beta1 H-NOX. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Matzapetakis M. . . . 34077 1 2 I. Saraiva I. H. . . 34077 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34077 _Assembly.ID 1 _Assembly.Name 'Guanylate cyclase soluble subunit beta-1 (E.C.4.6.1.2)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34077 1 2 entity_Z90 2 $entity_Z90 B B yes . . . . . . 34077 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34077 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MYGFVNHALELLVIRNYGPE VWEDIKKEAQLDEEGQFLVR IIYDDSKTYDLVAAASKVLN LNAGEILQMFGKMFFVFCQE SGYDTILRVLGSNVREFLQN LDALHDHLATIYPGMRAPSF RCTDAEKGKGLILHYYSERE GLQDIVIGIIKTVAQQIHGT EIDMKVIQQRNEECDHTQFL IEEKESKEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 194 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 4.6.1.2 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22460.486 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID GCS-beta-1 na 34077 1 GCS-beta-3 na 34077 1 'Guanylate cyclase soluble subunit beta-3' na 34077 1 'Soluble guanylate cyclase small subunit' na 34077 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 . 34077 1 2 . TYR . 34077 1 3 . GLY . 34077 1 4 . PHE . 34077 1 5 . VAL . 34077 1 6 . ASN . 34077 1 7 . HIS . 34077 1 8 . ALA . 34077 1 9 . LEU . 34077 1 10 . GLU . 34077 1 11 . LEU . 34077 1 12 . LEU . 34077 1 13 . VAL . 34077 1 14 . ILE . 34077 1 15 . ARG . 34077 1 16 . ASN . 34077 1 17 . TYR . 34077 1 18 . GLY . 34077 1 19 . PRO . 34077 1 20 . GLU . 34077 1 21 . VAL . 34077 1 22 . TRP . 34077 1 23 . GLU . 34077 1 24 . ASP . 34077 1 25 . ILE . 34077 1 26 . LYS . 34077 1 27 . LYS . 34077 1 28 . GLU . 34077 1 29 . ALA . 34077 1 30 . GLN . 34077 1 31 . LEU . 34077 1 32 . ASP . 34077 1 33 . GLU . 34077 1 34 . GLU . 34077 1 35 . GLY . 34077 1 36 . GLN . 34077 1 37 . PHE . 34077 1 38 . LEU . 34077 1 39 . VAL . 34077 1 40 . ARG . 34077 1 41 . ILE . 34077 1 42 . ILE . 34077 1 43 . TYR . 34077 1 44 . ASP . 34077 1 45 . ASP . 34077 1 46 . SER . 34077 1 47 . LYS . 34077 1 48 . THR . 34077 1 49 . TYR . 34077 1 50 . ASP . 34077 1 51 . LEU . 34077 1 52 . VAL . 34077 1 53 . ALA . 34077 1 54 . ALA . 34077 1 55 . ALA . 34077 1 56 . SER . 34077 1 57 . LYS . 34077 1 58 . VAL . 34077 1 59 . LEU . 34077 1 60 . ASN . 34077 1 61 . LEU . 34077 1 62 . ASN . 34077 1 63 . ALA . 34077 1 64 . GLY . 34077 1 65 . GLU . 34077 1 66 . ILE . 34077 1 67 . LEU . 34077 1 68 . GLN . 34077 1 69 . MET . 34077 1 70 . PHE . 34077 1 71 . GLY . 34077 1 72 . LYS . 34077 1 73 . MET . 34077 1 74 . PHE . 34077 1 75 . PHE . 34077 1 76 . VAL . 34077 1 77 . PHE . 34077 1 78 . CYS . 34077 1 79 . GLN . 34077 1 80 . GLU . 34077 1 81 . SER . 34077 1 82 . GLY . 34077 1 83 . TYR . 34077 1 84 . ASP . 34077 1 85 . THR . 34077 1 86 . ILE . 34077 1 87 . LEU . 34077 1 88 . ARG . 34077 1 89 . VAL . 34077 1 90 . LEU . 34077 1 91 . GLY . 34077 1 92 . SER . 34077 1 93 . ASN . 34077 1 94 . VAL . 34077 1 95 . ARG . 34077 1 96 . GLU . 34077 1 97 . PHE . 34077 1 98 . LEU . 34077 1 99 . GLN . 34077 1 100 . ASN . 34077 1 101 . LEU . 34077 1 102 . ASP . 34077 1 103 . ALA . 34077 1 104 . LEU . 34077 1 105 . HIS . 34077 1 106 . ASP . 34077 1 107 . HIS . 34077 1 108 . LEU . 34077 1 109 . ALA . 34077 1 110 . THR . 34077 1 111 . ILE . 34077 1 112 . TYR . 34077 1 113 . PRO . 34077 1 114 . GLY . 34077 1 115 . MET . 34077 1 116 . ARG . 34077 1 117 . ALA . 34077 1 118 . PRO . 34077 1 119 . SER . 34077 1 120 . PHE . 34077 1 121 . ARG . 34077 1 122 . CYS . 34077 1 123 . THR . 34077 1 124 . ASP . 34077 1 125 . ALA . 34077 1 126 . GLU . 34077 1 127 . LYS . 34077 1 128 . GLY . 34077 1 129 . LYS . 34077 1 130 . GLY . 34077 1 131 . LEU . 34077 1 132 . ILE . 34077 1 133 . LEU . 34077 1 134 . HIS . 34077 1 135 . TYR . 34077 1 136 . TYR . 34077 1 137 . SER . 34077 1 138 . GLU . 34077 1 139 . ARG . 34077 1 140 . GLU . 34077 1 141 . GLY . 34077 1 142 . LEU . 34077 1 143 . GLN . 34077 1 144 . ASP . 34077 1 145 . ILE . 34077 1 146 . VAL . 34077 1 147 . ILE . 34077 1 148 . GLY . 34077 1 149 . ILE . 34077 1 150 . ILE . 34077 1 151 . LYS . 34077 1 152 . THR . 34077 1 153 . VAL . 34077 1 154 . ALA . 34077 1 155 . GLN . 34077 1 156 . GLN . 34077 1 157 . ILE . 34077 1 158 . HIS . 34077 1 159 . GLY . 34077 1 160 . THR . 34077 1 161 . GLU . 34077 1 162 . ILE . 34077 1 163 . ASP . 34077 1 164 . MET . 34077 1 165 . LYS . 34077 1 166 . VAL . 34077 1 167 . ILE . 34077 1 168 . GLN . 34077 1 169 . GLN . 34077 1 170 . ARG . 34077 1 171 . ASN . 34077 1 172 . GLU . 34077 1 173 . GLU . 34077 1 174 . CYS . 34077 1 175 . ASP . 34077 1 176 . HIS . 34077 1 177 . THR . 34077 1 178 . GLN . 34077 1 179 . PHE . 34077 1 180 . LEU . 34077 1 181 . ILE . 34077 1 182 . GLU . 34077 1 183 . GLU . 34077 1 184 . LYS . 34077 1 185 . GLU . 34077 1 186 . SER . 34077 1 187 . LYS . 34077 1 188 . GLU . 34077 1 189 . HIS . 34077 1 190 . HIS . 34077 1 191 . HIS . 34077 1 192 . HIS . 34077 1 193 . HIS . 34077 1 194 . HIS . 34077 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 34077 1 . TYR 2 2 34077 1 . GLY 3 3 34077 1 . PHE 4 4 34077 1 . VAL 5 5 34077 1 . ASN 6 6 34077 1 . HIS 7 7 34077 1 . ALA 8 8 34077 1 . LEU 9 9 34077 1 . GLU 10 10 34077 1 . LEU 11 11 34077 1 . LEU 12 12 34077 1 . VAL 13 13 34077 1 . ILE 14 14 34077 1 . ARG 15 15 34077 1 . ASN 16 16 34077 1 . TYR 17 17 34077 1 . GLY 18 18 34077 1 . PRO 19 19 34077 1 . GLU 20 20 34077 1 . VAL 21 21 34077 1 . TRP 22 22 34077 1 . GLU 23 23 34077 1 . ASP 24 24 34077 1 . ILE 25 25 34077 1 . LYS 26 26 34077 1 . LYS 27 27 34077 1 . GLU 28 28 34077 1 . ALA 29 29 34077 1 . GLN 30 30 34077 1 . LEU 31 31 34077 1 . ASP 32 32 34077 1 . GLU 33 33 34077 1 . GLU 34 34 34077 1 . GLY 35 35 34077 1 . GLN 36 36 34077 1 . PHE 37 37 34077 1 . LEU 38 38 34077 1 . VAL 39 39 34077 1 . ARG 40 40 34077 1 . ILE 41 41 34077 1 . ILE 42 42 34077 1 . TYR 43 43 34077 1 . ASP 44 44 34077 1 . ASP 45 45 34077 1 . SER 46 46 34077 1 . LYS 47 47 34077 1 . THR 48 48 34077 1 . TYR 49 49 34077 1 . ASP 50 50 34077 1 . LEU 51 51 34077 1 . VAL 52 52 34077 1 . ALA 53 53 34077 1 . ALA 54 54 34077 1 . ALA 55 55 34077 1 . SER 56 56 34077 1 . LYS 57 57 34077 1 . VAL 58 58 34077 1 . LEU 59 59 34077 1 . ASN 60 60 34077 1 . LEU 61 61 34077 1 . ASN 62 62 34077 1 . ALA 63 63 34077 1 . GLY 64 64 34077 1 . GLU 65 65 34077 1 . ILE 66 66 34077 1 . LEU 67 67 34077 1 . GLN 68 68 34077 1 . MET 69 69 34077 1 . PHE 70 70 34077 1 . GLY 71 71 34077 1 . LYS 72 72 34077 1 . MET 73 73 34077 1 . PHE 74 74 34077 1 . PHE 75 75 34077 1 . VAL 76 76 34077 1 . PHE 77 77 34077 1 . CYS 78 78 34077 1 . GLN 79 79 34077 1 . GLU 80 80 34077 1 . SER 81 81 34077 1 . GLY 82 82 34077 1 . TYR 83 83 34077 1 . ASP 84 84 34077 1 . THR 85 85 34077 1 . ILE 86 86 34077 1 . LEU 87 87 34077 1 . ARG 88 88 34077 1 . VAL 89 89 34077 1 . LEU 90 90 34077 1 . GLY 91 91 34077 1 . SER 92 92 34077 1 . ASN 93 93 34077 1 . VAL 94 94 34077 1 . ARG 95 95 34077 1 . GLU 96 96 34077 1 . PHE 97 97 34077 1 . LEU 98 98 34077 1 . GLN 99 99 34077 1 . ASN 100 100 34077 1 . LEU 101 101 34077 1 . ASP 102 102 34077 1 . ALA 103 103 34077 1 . LEU 104 104 34077 1 . HIS 105 105 34077 1 . ASP 106 106 34077 1 . HIS 107 107 34077 1 . LEU 108 108 34077 1 . ALA 109 109 34077 1 . THR 110 110 34077 1 . ILE 111 111 34077 1 . TYR 112 112 34077 1 . PRO 113 113 34077 1 . GLY 114 114 34077 1 . MET 115 115 34077 1 . ARG 116 116 34077 1 . ALA 117 117 34077 1 . PRO 118 118 34077 1 . SER 119 119 34077 1 . PHE 120 120 34077 1 . ARG 121 121 34077 1 . CYS 122 122 34077 1 . THR 123 123 34077 1 . ASP 124 124 34077 1 . ALA 125 125 34077 1 . GLU 126 126 34077 1 . LYS 127 127 34077 1 . GLY 128 128 34077 1 . LYS 129 129 34077 1 . GLY 130 130 34077 1 . LEU 131 131 34077 1 . ILE 132 132 34077 1 . LEU 133 133 34077 1 . HIS 134 134 34077 1 . TYR 135 135 34077 1 . TYR 136 136 34077 1 . SER 137 137 34077 1 . GLU 138 138 34077 1 . ARG 139 139 34077 1 . GLU 140 140 34077 1 . GLY 141 141 34077 1 . LEU 142 142 34077 1 . GLN 143 143 34077 1 . ASP 144 144 34077 1 . ILE 145 145 34077 1 . VAL 146 146 34077 1 . ILE 147 147 34077 1 . GLY 148 148 34077 1 . ILE 149 149 34077 1 . ILE 150 150 34077 1 . LYS 151 151 34077 1 . THR 152 152 34077 1 . VAL 153 153 34077 1 . ALA 154 154 34077 1 . GLN 155 155 34077 1 . GLN 156 156 34077 1 . ILE 157 157 34077 1 . HIS 158 158 34077 1 . GLY 159 159 34077 1 . THR 160 160 34077 1 . GLU 161 161 34077 1 . ILE 162 162 34077 1 . ASP 163 163 34077 1 . MET 164 164 34077 1 . LYS 165 165 34077 1 . VAL 166 166 34077 1 . ILE 167 167 34077 1 . GLN 168 168 34077 1 . GLN 169 169 34077 1 . ARG 170 170 34077 1 . ASN 171 171 34077 1 . GLU 172 172 34077 1 . GLU 173 173 34077 1 . CYS 174 174 34077 1 . ASP 175 175 34077 1 . HIS 176 176 34077 1 . THR 177 177 34077 1 . GLN 178 178 34077 1 . PHE 179 179 34077 1 . LEU 180 180 34077 1 . ILE 181 181 34077 1 . GLU 182 182 34077 1 . GLU 183 183 34077 1 . LYS 184 184 34077 1 . GLU 185 185 34077 1 . SER 186 186 34077 1 . LYS 187 187 34077 1 . GLU 188 188 34077 1 . HIS 189 189 34077 1 . HIS 190 190 34077 1 . HIS 191 191 34077 1 . HIS 192 192 34077 1 . HIS 193 193 34077 1 . HIS 194 194 34077 1 stop_ save_ save_entity_Z90 _Entity.Sf_category entity _Entity.Sf_framecode entity_Z90 _Entity.Entry_ID 34077 _Entity.ID 2 _Entity.BMRB_code Z90 _Entity.Name entity_Z90 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID Z90 _Entity.Nonpolymer_comp_label $chem_comp_Z90 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 565.699 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid' BMRB 34077 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID '4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid' BMRB 34077 2 Z90 'Three letter code' 34077 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 Z90 $chem_comp_Z90 34077 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34077 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'GUCY1B3, GUC1B3, GUCSB3, GUCY1B1' . 34077 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 34077 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34077 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_Z90 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_Z90 _Chem_comp.Entry_ID 34077 _Chem_comp.ID Z90 _Chem_comp.Provenance PDB _Chem_comp.Name '4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code Z90 _Chem_comp.PDB_code Z90 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code Z90 _Chem_comp.Number_atoms_all 81 _Chem_comp.Number_atoms_nh 42 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41) ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms '4-((4-carboxybutyl)(2-((4-phenethylbenzol)oxy) phenethyl) amino)methyl(benzoic) acid)' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C36 H39 N O5' _Chem_comp.Formula_weight 565.699 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 3L6J _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41) ; InChI InChI 1.03 34077 Z90 OC(=O)CCCCN(CCc1ccccc1OCc2ccc(CCc3ccccc3)cc2)Cc4ccc(cc4)C(O)=O SMILES CACTVS 3.352 34077 Z90 OC(=O)CCCCN(CCc1ccccc1OCc2ccc(CCc3ccccc3)cc2)Cc4ccc(cc4)C(O)=O SMILES_CANONICAL CACTVS 3.352 34077 Z90 WPYWMXNXEZFMAK-UHFFFAOYSA-N InChIKey InChI 1.03 34077 Z90 c1ccc(cc1)CCc2ccc(cc2)COc3ccccc3CCN(CCCCC(=O)O)Cc4ccc(cc4)C(=O)O SMILES 'OpenEye OEToolkits' 1.7.0 34077 Z90 c1ccc(cc1)CCc2ccc(cc2)COc3ccccc3CC[N@@](CCCCC(=O)O)Cc4ccc(cc4)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 34077 Z90 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '4-[[(5-hydroxy-5-oxo-pentyl)-[2-[2-[(4-phenethylphenyl)methoxy]phenyl]ethyl]amino]methyl]benzoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.6.1 34077 Z90 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID OAA OAA OAA OAA . O . . N 0 . . . 1 no no . . . . 4.875 . 24.712 . 74.021 . -1.618 -6.383 2.616 1 . 34077 Z90 OAB OAB OAB OAB . O . . N 0 . . . 1 no no . . . . 1.855 . 20.987 . 77.070 . 9.375 -1.894 -1.056 2 . 34077 Z90 OAC OAC OAC OAC . O . . N 0 . . . 1 no no . . . . 5.763 . 26.234 . 72.683 . -2.359 -4.337 2.233 3 . 34077 Z90 OAD OAD OAD OAD . O . . N 0 . . . 1 no no . . . . 2.863 . 19.097 . 77.541 . 9.266 0.016 -2.181 4 . 34077 Z90 CAE CAE CAE CAE . C . . N 0 . . . 1 yes no . . . . 0.634 . 12.369 . 76.275 . -10.157 -1.327 -1.749 5 . 34077 Z90 CAF CAF CAF CAF . C . . N 0 . . . 1 yes no . . . . 0.351 . 11.801 . 75.038 . -9.915 -0.909 -0.454 6 . 34077 Z90 CAG CAG CAG CAG . C . . N 0 . . . 1 yes no . . . . 1.127 . 13.665 . 76.338 . -9.307 -0.942 -2.770 7 . 34077 Z90 CAH CAH CAH CAH . C . . N 0 . . . 1 yes no . . . . 4.527 . 21.066 . 64.973 . 3.644 4.748 1.793 8 . 34077 Z90 CAI CAI CAI CAI . C . . N 0 . . . 1 yes no . . . . 4.529 . 19.933 . 64.170 . 2.516 5.484 1.483 9 . 34077 Z90 CAJ CAJ CAJ CAJ . C . . N 0 . . . 1 yes no . . . . 0.575 . 12.528 . 73.873 . -8.826 -0.104 -0.179 10 . 34077 Z90 CAK CAK CAK CAK . C . . N 0 . . . 1 yes no . . . . 1.360 . 14.397 . 75.176 . -8.221 -0.132 -2.496 11 . 34077 Z90 CAL CAL CAL CAL . C . . N 0 . . . 1 yes no . . . . 4.243 . 20.959 . 66.336 . 3.591 3.366 1.801 12 . 34077 Z90 CAM CAM CAM CAM . C . . N 0 . . . 1 yes no . . . . 4.244 . 18.692 . 64.743 . 1.331 4.840 1.181 13 . 34077 Z90 CAN CAN CAN CAN . C . . N 0 . . . 1 yes no . . . . 2.010 . 13.927 . 68.978 . -4.151 1.583 1.024 14 . 34077 Z90 CAO CAO CAO CAO . C . . N 0 . . . 1 yes no . . . . 1.563 . 15.934 . 70.257 . -3.543 1.550 -1.291 15 . 34077 Z90 CAP CAP CAP CAP . C . . N 0 . . . 1 yes no . . . . 2.222 . 14.710 . 67.843 . -3.058 2.384 1.300 16 . 34077 Z90 CAQ CAQ CAQ CAQ . C . . N 0 . . . 1 yes no . . . . 1.768 . 16.711 . 69.121 . -2.447 2.347 -1.015 17 . 34077 Z90 CAR CAR CAR CAR . C . . N 0 . . . 1 yes no . . . . 3.925 . 18.437 . 73.553 . 5.236 -2.246 -0.715 18 . 34077 Z90 CAS CAS CAS CAS . C . . N 0 . . . 1 yes no . . . . 2.665 . 20.402 . 72.928 . 5.047 -0.188 -1.936 19 . 34077 Z90 CAT CAT CAT CAT . C . . N 0 . . . 1 yes no . . . . 3.604 . 18.658 . 74.890 . 6.611 -2.178 -0.799 20 . 34077 Z90 CAU CAU CAU CAU . C . . N 0 . . . 1 yes no . . . . 2.341 . 20.620 . 74.268 . 6.421 -0.102 -2.019 21 . 34077 Z90 CAV CAV CAV CAV . C . . N 0 . . . 1 no no . . . . 6.444 . 22.950 . 72.117 . -0.145 -3.190 1.334 22 . 34077 Z90 CAW CAW CAW CAW . C . . N 0 . . . 1 no no . . . . 6.347 . 21.870 . 71.045 . 1.232 -2.733 0.847 23 . 34077 Z90 CAX CAX CAX CAX . C . . N 0 . . . 1 no no . . . . 5.479 . 24.079 . 71.792 . -0.080 -4.666 1.733 24 . 34077 Z90 CAY CAY CAY CAY . C . . N 0 . . . 1 no no . . . . 1.339 . 14.616 . 72.668 . -6.790 1.161 -0.900 25 . 34077 Z90 CAZ CAZ CAZ CAZ . C . . N 0 . . . 1 no no . . . . 1.457 . 13.705 . 71.444 . -5.579 0.286 -0.570 26 . 34077 Z90 CBA CBA CBA CBA . C . . N 0 . . . 1 no no . . . . 3.654 . 19.713 . 68.440 . 2.351 1.212 1.514 27 . 34077 Z90 CBB CBB CBB CBB . C . . N 0 . . . 1 no no . . . . 5.708 . 20.602 . 71.593 . 1.167 -1.257 0.448 28 . 34077 Z90 CBC CBC CBC CBC . C . . N 0 . . . 1 no no . . . . 4.564 . 20.592 . 69.327 . 2.571 0.684 0.095 29 . 34077 Z90 CBD CBD CBD CBD . C . . N 0 . . . 1 no no . . . . 2.316 . 16.888 . 66.793 . -1.016 3.639 0.580 30 . 34077 Z90 CBE CBE CBE CBE . C . . N 0 . . . 1 no no . . . . 3.832 . 19.034 . 71.109 . 2.953 -1.335 -1.185 31 . 34077 Z90 OBF OBF OBF OBF . O . . N 0 . . . 1 no no . . . . 3.690 . 17.331 . 66.604 . 0.112 2.818 0.891 32 . 34077 Z90 CBG CBG CBG CBG . C . . N 0 . . . 1 no no . . . . 5.366 . 25.089 . 72.936 . -1.436 -5.116 2.212 33 . 34077 Z90 CBH CBH CBH CBH . C . . N 0 . . . 1 no no . . . . 2.469 . 19.956 . 76.731 . 8.687 -1.023 -1.548 34 . 34077 Z90 CBI CBI CBI CBI . C . . N 0 . . . 1 yes no . . . . 1.084 . 13.823 . 73.940 . -7.977 0.282 -1.200 35 . 34077 Z90 CBJ CBJ CBJ CBJ . C . . N 0 . . . 1 yes no . . . . 1.682 . 14.543 . 70.186 . -4.391 1.164 -0.271 36 . 34077 Z90 CBK CBK CBK CBK . C . . N 0 . . . 1 yes no . . . . 2.091 . 16.099 . 67.914 . -2.206 2.766 0.280 37 . 34077 Z90 CBL CBL CBL CBL . C . . N 0 . . . 1 yes no . . . . 3.467 . 19.310 . 72.573 . 4.455 -1.254 -1.281 38 . 34077 Z90 CBM CBM CBM CBM . C . . N 0 . . . 1 yes no . . . . 2.801 . 19.737 . 75.249 . 7.215 -1.102 -1.454 39 . 34077 Z90 CBN CBN CBN CBN . C . . N 0 . . . 1 yes no . . . . 3.959 . 19.727 . 66.926 . 2.408 2.718 1.505 40 . 34077 Z90 CBO CBO CBO CBO . C . . N 0 . . . 1 yes no . . . . 3.942 . 18.584 . 66.102 . 1.275 3.454 1.188 41 . 34077 Z90 NBP NBP NBP NBP . N . . N 0 . . . 1 no no . . . . 4.928 . 19.868 . 70.569 . 2.515 -0.784 0.104 42 . 34077 Z90 HOAA HOAA HOAA HOAA . H . . N 0 . . . 0 no no . . . . 4.851 . 25.442 . 74.629 . -2.505 -6.625 2.916 43 . 34077 Z90 HOAD HOAD HOAD HOAD . H . . N 0 . . . 0 no no . . . . 2.622 . 19.358 . 78.422 . 10.233 0.025 -2.217 44 . 34077 Z90 HAE HAE HAE HAE . H . . N 0 . . . 1 no no . . . . 0.471 . 11.805 . 77.182 . -11.006 -1.959 -1.963 45 . 34077 Z90 HAF HAF HAF HAF . H . . N 0 . . . 1 no no . . . . -0.042 . 10.797 . 74.981 . -10.579 -1.210 0.343 46 . 34077 Z90 HAG HAG HAG HAG . H . . N 0 . . . 1 no no . . . . 1.332 . 14.111 . 77.300 . -9.493 -1.273 -3.781 47 . 34077 Z90 HAH HAH HAH HAH . H . . N 0 . . . 1 no no . . . . 4.746 . 22.032 . 64.542 . 4.570 5.253 2.024 48 . 34077 Z90 HAI HAI HAI HAI . H . . N 0 . . . 1 no no . . . . 4.748 . 20.011 . 63.115 . 2.560 6.563 1.477 49 . 34077 Z90 HAJ HAJ HAJ HAJ . H . . N 0 . . . 1 no no . . . . 0.353 . 12.086 . 72.913 . -8.638 0.223 0.832 50 . 34077 Z90 HAK HAK HAK HAK . H . . N 0 . . . 1 no no . . . . 1.752 . 15.402 . 75.235 . -7.558 0.170 -3.293 51 . 34077 Z90 HAL HAL HAL HAL . H . . N 0 . . . 1 no no . . . . 4.243 . 21.850 . 66.947 . 4.475 2.794 2.040 52 . 34077 Z90 HAM HAM HAM HAM . H . . N 0 . . . 1 no no . . . . 4.257 . 17.805 . 64.127 . 0.449 5.415 0.939 53 . 34077 Z90 HAN HAN HAN HAN . H . . N 0 . . . 1 no no . . . . 2.099 . 12.852 . 68.922 . -4.814 1.281 1.821 54 . 34077 Z90 HAO HAO HAO HAO . H . . N 0 . . . 1 no no . . . . 1.312 . 16.406 . 71.195 . -3.731 1.223 -2.303 55 . 34077 Z90 HAP HAP HAP HAP . H . . N 0 . . . 1 no no . . . . 2.488 . 14.241 . 66.907 . -2.870 2.712 2.312 56 . 34077 Z90 HAQ HAQ HAQ HAQ . H . . N 0 . . . 1 no no . . . . 1.677 . 17.786 . 69.176 . -1.779 2.641 -1.811 57 . 34077 Z90 HAR HAR HAR HAR . H . . N 0 . . . 1 no no . . . . 4.531 . 17.586 . 73.277 . 4.768 -3.077 -0.209 58 . 34077 Z90 HAS HAS HAS HAS . H . . N 0 . . . 1 no no . . . . 2.298 . 21.074 . 72.166 . 4.431 0.585 -2.372 59 . 34077 Z90 HAT HAT HAT HAT . H . . N 0 . . . 1 no no . . . . 3.979 . 17.990 . 75.651 . 7.220 -2.955 -0.360 60 . 34077 Z90 HAU HAU HAU HAU . H . . N 0 . . . 1 no no . . . . 1.736 . 21.470 . 74.547 . 6.882 0.737 -2.520 61 . 34077 Z90 HAV HAV HAV HAV . H . . N 0 . . . 1 no no . . . . 6.186 . 22.519 . 73.095 . -0.442 -2.593 2.197 62 . 34077 Z90 HAVA HAVA HAVA HAVA . H . . N 0 . . . 0 no no . . . . 7.471 . 23.344 . 72.148 . -0.874 -3.061 0.535 63 . 34077 Z90 HAW HAW HAW HAW . H . . N 0 . . . 1 no no . . . . 5.732 . 22.248 . 70.215 . 1.961 -2.862 1.646 64 . 34077 Z90 HAWA HAWA HAWA HAWA . H . . N 0 . . . 0 no no . . . . 7.360 . 21.632 . 70.688 . 1.529 -3.329 -0.015 65 . 34077 Z90 HAX HAX HAX HAX . H . . N 0 . . . 1 no no . . . . 5.842 . 24.603 . 70.896 . 0.217 -5.262 0.870 66 . 34077 Z90 HAXA HAXA HAXA HAXA . H . . N 0 . . . 0 no no . . . . 4.484 . 23.647 . 71.606 . 0.649 -4.794 2.532 67 . 34077 Z90 HAY HAY HAY HAY . H . . N 0 . . . 1 no no . . . . 2.279 . 15.175 . 72.783 . -7.018 1.802 -0.049 68 . 34077 Z90 HAYA HAYA HAYA HAYA . H . . N 0 . . . 0 no no . . . . 0.500 . 15.310 . 72.511 . -6.566 1.778 -1.771 69 . 34077 Z90 HAZ HAZ HAZ HAZ . H . . N 0 . . . 1 no no . . . . 2.307 . 13.021 . 71.581 . -5.803 -0.331 0.300 70 . 34077 Z90 HAZA HAZA HAZA HAZA . H . . N 0 . . . 0 no no . . . . 0.529 . 13.125 . 71.333 . -5.351 -0.355 -1.422 71 . 34077 Z90 HBA HBA HBA HBA . H . . N 0 . . . 1 no no . . . . 2.623 . 20.075 . 68.569 . 1.375 0.888 1.875 72 . 34077 Z90 HBAA HBAA HBAA HBAA . H . . N 0 . . . 0 no no . . . . 3.764 . 18.675 . 68.786 . 3.129 0.823 2.171 73 . 34077 Z90 HBB HBB HBB HBB . H . . N 0 . . . 1 no no . . . . 6.507 . 19.941 . 71.961 . 0.511 -1.142 -0.414 74 . 34077 Z90 HBBA HBBA HBBA HBBA . H . . N 0 . . . 0 no no . . . . 5.030 . 20.881 . 72.413 . 0.779 -0.672 1.282 75 . 34077 Z90 HBC HBC HBC HBC . H . . N 0 . . . 1 no no . . . . 5.480 . 20.840 . 68.771 . 1.793 1.074 -0.562 76 . 34077 Z90 HBCA HBCA HBCA HBCA . H . . N 0 . . . 0 no no . . . . 4.028 . 21.516 . 69.591 . 3.547 1.009 -0.266 77 . 34077 Z90 HBD HBD HBD HBD . H . . N 0 . . . 1 no no . . . . 1.689 . 17.787 . 66.889 . -1.242 4.283 1.431 78 . 34077 Z90 HBDA HBDA HBDA HBDA . H . . N 0 . . . 0 no no . . . . 2.035 . 16.296 . 65.910 . -0.788 4.255 -0.290 79 . 34077 Z90 HBE HBE HBE HBE . H . . N 0 . . . 1 no no . . . . 2.936 . 19.225 . 70.500 . 2.506 -0.762 -1.997 80 . 34077 Z90 HBEA HBEA HBEA HBEA . H . . N 0 . . . 0 no no . . . . 4.146 . 17.982 . 71.036 . 2.640 -2.376 -1.260 81 . 34077 Z90 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING CBG OAA no N 1 . 34077 Z90 2 . SING OAA HOAA no N 2 . 34077 Z90 3 . DOUB CBH OAB no N 3 . 34077 Z90 4 . DOUB OAC CBG no N 4 . 34077 Z90 5 . SING CBH OAD no N 5 . 34077 Z90 6 . SING OAD HOAD no N 6 . 34077 Z90 7 . DOUB CAF CAE yes N 7 . 34077 Z90 8 . SING CAE CAG yes N 8 . 34077 Z90 9 . SING CAE HAE no N 9 . 34077 Z90 10 . SING CAJ CAF yes N 10 . 34077 Z90 11 . SING CAF HAF no N 11 . 34077 Z90 12 . DOUB CAK CAG yes N 12 . 34077 Z90 13 . SING CAG HAG no N 13 . 34077 Z90 14 . DOUB CAI CAH yes N 14 . 34077 Z90 15 . SING CAH CAL yes N 15 . 34077 Z90 16 . SING CAH HAH no N 16 . 34077 Z90 17 . SING CAI CAM yes N 17 . 34077 Z90 18 . SING CAI HAI no N 18 . 34077 Z90 19 . DOUB CAJ CBI yes N 19 . 34077 Z90 20 . SING CAJ HAJ no N 20 . 34077 Z90 21 . SING CBI CAK yes N 21 . 34077 Z90 22 . SING CAK HAK no N 22 . 34077 Z90 23 . DOUB CAL CBN yes N 23 . 34077 Z90 24 . SING CAL HAL no N 24 . 34077 Z90 25 . DOUB CAM CBO yes N 25 . 34077 Z90 26 . SING CAM HAM no N 26 . 34077 Z90 27 . DOUB CAP CAN yes N 27 . 34077 Z90 28 . SING CAN CBJ yes N 28 . 34077 Z90 29 . SING CAN HAN no N 29 . 34077 Z90 30 . SING CAQ CAO yes N 30 . 34077 Z90 31 . DOUB CBJ CAO yes N 31 . 34077 Z90 32 . SING CAO HAO no N 32 . 34077 Z90 33 . SING CAP CBK yes N 33 . 34077 Z90 34 . SING CAP HAP no N 34 . 34077 Z90 35 . DOUB CBK CAQ yes N 35 . 34077 Z90 36 . SING CAQ HAQ no N 36 . 34077 Z90 37 . DOUB CBL CAR yes N 37 . 34077 Z90 38 . SING CAR CAT yes N 38 . 34077 Z90 39 . SING CAR HAR no N 39 . 34077 Z90 40 . SING CBL CAS yes N 40 . 34077 Z90 41 . DOUB CAS CAU yes N 41 . 34077 Z90 42 . SING CAS HAS no N 42 . 34077 Z90 43 . DOUB CAT CBM yes N 43 . 34077 Z90 44 . SING CAT HAT no N 44 . 34077 Z90 45 . SING CAU CBM yes N 45 . 34077 Z90 46 . SING CAU HAU no N 46 . 34077 Z90 47 . SING CAW CAV no N 47 . 34077 Z90 48 . SING CAX CAV no N 48 . 34077 Z90 49 . SING CAV HAV no N 49 . 34077 Z90 50 . SING CAV HAVA no N 50 . 34077 Z90 51 . SING CAW CBB no N 51 . 34077 Z90 52 . SING CAW HAW no N 52 . 34077 Z90 53 . SING CAW HAWA no N 53 . 34077 Z90 54 . SING CAX CBG no N 54 . 34077 Z90 55 . SING CAX HAX no N 55 . 34077 Z90 56 . SING CAX HAXA no N 56 . 34077 Z90 57 . SING CAZ CAY no N 57 . 34077 Z90 58 . SING CAY CBI no N 58 . 34077 Z90 59 . SING CAY HAY no N 59 . 34077 Z90 60 . SING CAY HAYA no N 60 . 34077 Z90 61 . SING CBJ CAZ no N 61 . 34077 Z90 62 . SING CAZ HAZ no N 62 . 34077 Z90 63 . SING CAZ HAZA no N 63 . 34077 Z90 64 . SING CBN CBA no N 64 . 34077 Z90 65 . SING CBA CBC no N 65 . 34077 Z90 66 . SING CBA HBA no N 66 . 34077 Z90 67 . SING CBA HBAA no N 67 . 34077 Z90 68 . SING NBP CBB no N 68 . 34077 Z90 69 . SING CBB HBB no N 69 . 34077 Z90 70 . SING CBB HBBA no N 70 . 34077 Z90 71 . SING CBC NBP no N 71 . 34077 Z90 72 . SING CBC HBC no N 72 . 34077 Z90 73 . SING CBC HBCA no N 73 . 34077 Z90 74 . SING OBF CBD no N 74 . 34077 Z90 75 . SING CBD CBK no N 75 . 34077 Z90 76 . SING CBD HBD no N 76 . 34077 Z90 77 . SING CBD HBDA no N 77 . 34077 Z90 78 . SING NBP CBE no N 78 . 34077 Z90 79 . SING CBE CBL no N 79 . 34077 Z90 80 . SING CBE HBE no N 80 . 34077 Z90 81 . SING CBE HBEA no N 81 . 34077 Z90 82 . SING CBO OBF no N 82 . 34077 Z90 83 . SING CBM CBH no N 83 . 34077 Z90 84 . SING CBO CBN yes N 84 . 34077 Z90 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34077 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-99% 13C; U-99% 15N] beta1 H-NOX, 20 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'beta1 H-NOX' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34077 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34077 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34077 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34077 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 110 . mM 34077 1 pH 6.5 . pH 34077 1 pressure 1 . atm 34077 1 temperature 298 . K 34077 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34077 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 110 . mM 34077 2 pH 6.5 . pH 34077 2 pressure 1 . atm 34077 2 temperature 310 . K 34077 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34077 _Software.ID 1 _Software.Type . _Software.Name ARIA _Software.Version 2.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34077 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34077 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34077 _Software.ID 2 _Software.Type . _Software.Name Analysis _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34077 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34077 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34077 _Software.ID 3 _Software.Type . _Software.Name CNS _Software.Version 1.21 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34077 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34077 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34077 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34077 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34077 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34077 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34077 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34077 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceII . 800 . . . 34077 1 2 NMR_spectrometer_2 Bruker AvanceII . 500 . . . 34077 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34077 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34077 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34077 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34077 1 4 '3D (H)CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34077 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34077 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34077 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34077 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34077 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34077 1 10 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34077 1 11 H[C]_H{[c(0)]+[n(0)]}.through-space no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34077 1 12 H[c(0)]_H[c(0)].through-space no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34077 1 13 H_H{[n(0)]+[c(0)]}.through-space no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34077 1 14 H[c(0)]_H[c(0)].relayed no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34077 1 15 '3D HN(COCA)HA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34077 1 16 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34077 1 17 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34077 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34077 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.81 internal indirect 0.251449530 . . . . . 34077 1 H 1 water protons . . . . ppm 4.81 internal direct 1.0 . . . . . 34077 1 N 15 water protons . . . . ppm 4.81 internal indirect 0.101329118 . . . . . 34077 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34077 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC' . . . 34077 1 2 '2D 1H-15N HSQC' . . . 34077 1 3 '3D HNCO' . . . 34077 1 4 '3D (H)CCH-TOCSY' . . . 34077 1 5 '3D HNCA' . . . 34077 1 6 '3D 1H-13C NOESY' . . . 34077 1 7 '3D 1H-15N NOESY' . . . 34077 1 8 '3D CBCA(CO)NH' . . . 34077 1 9 '3D HNCACB' . . . 34077 1 10 '3D HN(CA)CO' . . . 34077 1 11 H[C]_H{[c(0)]+[n(0)]}.through-space . . . 34077 1 12 H[c(0)]_H[c(0)].through-space . . . 34077 1 13 H_H{[n(0)]+[c(0)]}.through-space . . . 34077 1 14 H[c(0)]_H[c(0)].relayed . . . 34077 1 15 '3D HN(COCA)HA' . . . 34077 1 16 '2D 1H-1H NOESY' . . . 34077 1 17 '2D 1H-15N HSQC' . . . 34077 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 Z90 HAE H 1 6.903 0.011 . 1 . . . . A 201 HAE H . 34077 1 2 . 2 2 1 1 Z90 HAH H 1 7.177 0.008 . 1 . . . . A 201 HAH H . 34077 1 3 . 2 2 1 1 Z90 HAI H 1 6.469 0.008 . 1 . . . . A 201 HAI H . 34077 1 4 . 2 2 1 1 Z90 HAM H 1 6.923 0.018 . 1 . . . . A 201 HAM H . 34077 1 5 . 2 2 1 1 Z90 HAY H 1 1.843 0.006 . 1 . . . . A 201 HAY H . 34077 1 6 . 2 2 1 1 Z90 HAZ H 1 1.650 0.005 . 1 . . . . A 201 HAZ H . 34077 1 7 . 2 2 1 1 Z90 HBD H 1 5.108 0.002 . 2 . . . . A 201 HBD H . 34077 1 8 . 2 2 1 1 Z90 HBDA H 1 4.846 0.016 . 2 . . . . A 201 HBDA H . 34077 1 9 . 2 2 1 1 Z90 HAF H 1 6.707 0.009 . 1 . . . . A 201 HAF H . 34077 1 10 . 2 2 1 1 Z90 HAG H 1 6.707 0.009 . 1 . . . . A 201 HAG H . 34077 1 11 . 2 2 1 1 Z90 HAJ H 1 6.015 0.006 . 1 . . . . A 201 HAJ H . 34077 1 12 . 2 2 1 1 Z90 HAK H 1 6.015 0.006 . 1 . . . . A 201 HAK H . 34077 1 13 . 2 2 1 1 Z90 HAN H 1 6.713 0.015 . 1 . . . . A 201 HAN H . 34077 1 14 . 2 2 1 1 Z90 HAO H 1 6.713 0.015 . 1 . . . . A 201 HAO H . 34077 1 15 . 2 2 1 1 Z90 HAP H 1 7.367 0.006 . 1 . . . . A 201 HAP H . 34077 1 16 . 2 2 1 1 Z90 HAQ H 1 7.367 0.006 . 1 . . . . A 201 HAQ H . 34077 1 17 . 2 2 1 1 Z90 HAR H 1 7.943 0.007 . 1 . . . . A 201 HAR H . 34077 1 18 . 2 2 1 1 Z90 HAS H 1 7.943 0.007 . 1 . . . . A 201 HAS H . 34077 1 19 . 2 2 1 1 Z90 HAT H 1 7.383 0.007 . 1 . . . . A 201 HAT H . 34077 1 20 . 2 2 1 1 Z90 HAU H 1 7.383 0.007 . 1 . . . . A 201 HAU H . 34077 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 34077 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC' . . . 34077 2 2 '2D 1H-15N HSQC' . . . 34077 2 3 '3D HNCO' . . . 34077 2 4 '3D (H)CCH-TOCSY' . . . 34077 2 5 '3D HNCA' . . . 34077 2 6 '3D 1H-13C NOESY' . . . 34077 2 7 '3D 1H-15N NOESY' . . . 34077 2 8 '3D CBCA(CO)NH' . . . 34077 2 9 '3D HNCACB' . . . 34077 2 10 '3D HN(CA)CO' . . . 34077 2 11 H[C]_H{[c(0)]+[n(0)]}.through-space . . . 34077 2 12 H[c(0)]_H[c(0)].through-space . . . 34077 2 13 H_H{[n(0)]+[c(0)]}.through-space . . . 34077 2 14 H[c(0)]_H[c(0)].relayed . . . 34077 2 15 '3D HN(COCA)HA' . . . 34077 2 16 '2D 1H-1H NOESY' . . . 34077 2 17 '2D 1H-15N HSQC' . . . 34077 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _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 2 2 TYR H H 1 9.921 0.011 . 1 . . . . A 2 TYR H . 34077 2 2 . 1 1 2 2 TYR CA C 13 62.005 0.048 . 1 . . . . A 2 TYR CA . 34077 2 3 . 1 1 2 2 TYR N N 15 124.846 0.035 . 1 . . . . A 2 TYR N . 34077 2 4 . 1 1 3 3 GLY H H 1 9.643 0.006 . 1 . . . . A 3 GLY H . 34077 2 5 . 1 1 3 3 GLY CA C 13 48.175 0.000 . 1 . . . . A 3 GLY CA . 34077 2 6 . 1 1 3 3 GLY N N 15 109.427 0.041 . 1 . . . . A 3 GLY N . 34077 2 7 . 1 1 4 4 PHE H H 1 7.389 0.011 . 1 . . . . A 4 PHE H . 34077 2 8 . 1 1 4 4 PHE N N 15 114.714 0.028 . 1 . . . . A 4 PHE N . 34077 2 9 . 1 1 5 5 VAL H H 1 7.614 0.008 . 1 . . . . A 5 VAL H . 34077 2 10 . 1 1 5 5 VAL CA C 13 67.247 0.037 . 1 . . . . A 5 VAL CA . 34077 2 11 . 1 1 5 5 VAL N N 15 119.477 0.046 . 1 . . . . A 5 VAL N . 34077 2 12 . 1 1 6 6 ASN H H 1 6.718 0.010 . 1 . . . . A 6 ASN H . 34077 2 13 . 1 1 6 6 ASN CA C 13 55.388 0.010 . 1 . . . . A 6 ASN CA . 34077 2 14 . 1 1 6 6 ASN CB C 13 36.248 0.000 . 1 . . . . A 6 ASN CB . 34077 2 15 . 1 1 6 6 ASN N N 15 116.063 0.025 . 1 . . . . A 6 ASN N . 34077 2 16 . 1 1 7 7 HIS H H 1 8.861 0.001 . 1 . . . . A 7 HIS H . 34077 2 17 . 1 1 7 7 HIS CA C 13 58.543 0.000 . 1 . . . . A 7 HIS CA . 34077 2 18 . 1 1 7 7 HIS N N 15 117.576 0.000 . 1 . . . . A 7 HIS N . 34077 2 19 . 1 1 8 8 ALA H H 1 7.502 0.011 . 1 . . . . A 8 ALA H . 34077 2 20 . 1 1 8 8 ALA CA C 13 55.149 0.010 . 1 . . . . A 8 ALA CA . 34077 2 21 . 1 1 8 8 ALA N N 15 119.214 0.069 . 1 . . . . A 8 ALA N . 34077 2 22 . 1 1 9 9 LEU H H 1 7.118 0.003 . 1 . . . . A 9 LEU H . 34077 2 23 . 1 1 9 9 LEU CA C 13 57.746 0.019 . 1 . . . . A 9 LEU CA . 34077 2 24 . 1 1 9 9 LEU N N 15 119.839 0.026 . 1 . . . . A 9 LEU N . 34077 2 25 . 1 1 10 10 GLU H H 1 7.258 0.006 . 1 . . . . A 10 GLU H . 34077 2 26 . 1 1 10 10 GLU HA H 1 1.720 0.000 . 1 . . . . A 10 GLU HA . 34077 2 27 . 1 1 10 10 GLU CA C 13 58.880 0.016 . 1 . . . . A 10 GLU CA . 34077 2 28 . 1 1 10 10 GLU N N 15 120.635 0.030 . 1 . . . . A 10 GLU N . 34077 2 29 . 1 1 11 11 LEU H H 1 7.743 0.005 . 1 . . . . A 11 LEU H . 34077 2 30 . 1 1 11 11 LEU CA C 13 57.671 0.022 . 1 . . . . A 11 LEU CA . 34077 2 31 . 1 1 11 11 LEU N N 15 116.042 0.023 . 1 . . . . A 11 LEU N . 34077 2 32 . 1 1 12 12 LEU H H 1 7.889 0.001 . 1 . . . . A 12 LEU H . 34077 2 33 . 1 1 12 12 LEU CA C 13 58.715 0.058 . 1 . . . . A 12 LEU CA . 34077 2 34 . 1 1 12 12 LEU N N 15 118.852 0.005 . 1 . . . . A 12 LEU N . 34077 2 35 . 1 1 13 13 VAL H H 1 7.949 0.005 . 1 . . . . A 13 VAL H . 34077 2 36 . 1 1 13 13 VAL CA C 13 66.869 0.001 . 1 . . . . A 13 VAL CA . 34077 2 37 . 1 1 13 13 VAL N N 15 117.167 0.060 . 1 . . . . A 13 VAL N . 34077 2 38 . 1 1 14 14 ILE H H 1 9.008 0.000 . 1 . . . . A 14 ILE H . 34077 2 39 . 1 1 14 14 ILE CA C 13 66.625 0.001 . 1 . . . . A 14 ILE CA . 34077 2 40 . 1 1 14 14 ILE N N 15 120.706 0.006 . 1 . . . . A 14 ILE N . 34077 2 41 . 1 1 15 15 ARG H H 1 8.542 0.003 . 1 . . . . A 15 ARG H . 34077 2 42 . 1 1 15 15 ARG CA C 13 59.613 0.002 . 1 . . . . A 15 ARG CA . 34077 2 43 . 1 1 15 15 ARG N N 15 115.694 0.019 . 1 . . . . A 15 ARG N . 34077 2 44 . 1 1 16 16 ASN H H 1 7.492 0.007 . 1 . . . . A 16 ASN H . 34077 2 45 . 1 1 16 16 ASN HD21 H 1 6.959 0.000 . 1 . . . . A 16 ASN HD21 . 34077 2 46 . 1 1 16 16 ASN CA C 13 55.070 0.028 . 1 . . . . A 16 ASN CA . 34077 2 47 . 1 1 16 16 ASN N N 15 113.635 0.024 . 1 . . . . A 16 ASN N . 34077 2 48 . 1 1 16 16 ASN ND2 N 15 111.717 0.000 . 1 . . . . A 16 ASN ND2 . 34077 2 49 . 1 1 17 17 TYR H H 1 8.548 0.003 . 1 . . . . A 17 TYR H . 34077 2 50 . 1 1 17 17 TYR CA C 13 59.122 0.009 . 1 . . . . A 17 TYR CA . 34077 2 51 . 1 1 17 17 TYR N N 15 117.295 0.014 . 1 . . . . A 17 TYR N . 34077 2 52 . 1 1 18 18 GLY H H 1 8.083 0.004 . 1 . . . . A 18 GLY H . 34077 2 53 . 1 1 18 18 GLY CA C 13 45.067 0.000 . 1 . . . . A 18 GLY CA . 34077 2 54 . 1 1 18 18 GLY N N 15 109.336 0.016 . 1 . . . . A 18 GLY N . 34077 2 55 . 1 1 19 19 PRO CA C 13 65.444 0.000 . 1 . . . . A 19 PRO CA . 34077 2 56 . 1 1 20 20 GLU H H 1 9.289 0.007 . 1 . . . . A 20 GLU H . 34077 2 57 . 1 1 20 20 GLU CA C 13 60.281 0.038 . 1 . . . . A 20 GLU CA . 34077 2 58 . 1 1 20 20 GLU N N 15 120.744 0.028 . 1 . . . . A 20 GLU N . 34077 2 59 . 1 1 21 21 VAL H H 1 7.486 0.004 . 1 . . . . A 21 VAL H . 34077 2 60 . 1 1 21 21 VAL CA C 13 65.477 0.022 . 1 . . . . A 21 VAL CA . 34077 2 61 . 1 1 21 21 VAL N N 15 120.318 0.021 . 1 . . . . A 21 VAL N . 34077 2 62 . 1 1 22 22 TRP H H 1 7.343 0.005 . 1 . . . . A 22 TRP H . 34077 2 63 . 1 1 22 22 TRP HE1 H 1 10.108 0.000 . 1 . . . . A 22 TRP HE1 . 34077 2 64 . 1 1 22 22 TRP CA C 13 59.542 0.087 . 1 . . . . A 22 TRP CA . 34077 2 65 . 1 1 22 22 TRP N N 15 119.398 0.017 . 1 . . . . A 22 TRP N . 34077 2 66 . 1 1 22 22 TRP NE1 N 15 128.479 0.000 . 1 . . . . A 22 TRP NE1 . 34077 2 67 . 1 1 23 23 GLU H H 1 7.939 0.001 . 1 . . . . A 23 GLU H . 34077 2 68 . 1 1 23 23 GLU CA C 13 59.641 0.012 . 1 . . . . A 23 GLU CA . 34077 2 69 . 1 1 23 23 GLU N N 15 117.054 0.025 . 1 . . . . A 23 GLU N . 34077 2 70 . 1 1 24 24 ASP H H 1 7.691 0.003 . 1 . . . . A 24 ASP H . 34077 2 71 . 1 1 24 24 ASP CA C 13 57.812 0.000 . 1 . . . . A 24 ASP CA . 34077 2 72 . 1 1 24 24 ASP N N 15 120.340 0.017 . 1 . . . . A 24 ASP N . 34077 2 73 . 1 1 25 25 ILE H H 1 8.153 0.004 . 1 . . . . A 25 ILE H . 34077 2 74 . 1 1 25 25 ILE HD11 H 1 0.985 0.000 . 1 . . . . A 25 ILE HD11 . 34077 2 75 . 1 1 25 25 ILE HD12 H 1 0.985 0.000 . 1 . . . . A 25 ILE HD12 . 34077 2 76 . 1 1 25 25 ILE HD13 H 1 0.985 0.000 . 1 . . . . A 25 ILE HD13 . 34077 2 77 . 1 1 25 25 ILE CA C 13 66.377 0.000 . 1 . . . . A 25 ILE CA . 34077 2 78 . 1 1 25 25 ILE CD1 C 13 15.497 0.000 . 1 . . . . A 25 ILE CD1 . 34077 2 79 . 1 1 25 25 ILE N N 15 123.006 0.022 . 1 . . . . A 25 ILE N . 34077 2 80 . 1 1 26 26 LYS H H 1 8.019 0.004 . 1 . . . . A 26 LYS H . 34077 2 81 . 1 1 26 26 LYS CA C 13 61.232 0.015 . 1 . . . . A 26 LYS CA . 34077 2 82 . 1 1 26 26 LYS N N 15 118.903 0.019 . 1 . . . . A 26 LYS N . 34077 2 83 . 1 1 27 27 LYS H H 1 7.830 0.001 . 1 . . . . A 27 LYS H . 34077 2 84 . 1 1 27 27 LYS CA C 13 59.602 0.006 . 1 . . . . A 27 LYS CA . 34077 2 85 . 1 1 27 27 LYS N N 15 117.907 0.000 . 1 . . . . A 27 LYS N . 34077 2 86 . 1 1 28 28 GLU H H 1 8.060 0.003 . 1 . . . . A 28 GLU H . 34077 2 87 . 1 1 28 28 GLU CA C 13 58.564 0.006 . 1 . . . . A 28 GLU CA . 34077 2 88 . 1 1 28 28 GLU N N 15 122.451 0.024 . 1 . . . . A 28 GLU N . 34077 2 89 . 1 1 29 29 ALA H H 1 7.971 0.005 . 1 . . . . A 29 ALA H . 34077 2 90 . 1 1 29 29 ALA CA C 13 52.004 0.006 . 1 . . . . A 29 ALA CA . 34077 2 91 . 1 1 29 29 ALA N N 15 118.741 0.019 . 1 . . . . A 29 ALA N . 34077 2 92 . 1 1 30 30 GLN H H 1 7.833 0.005 . 1 . . . . A 30 GLN H . 34077 2 93 . 1 1 30 30 GLN HE21 H 1 7.548 0.000 . 1 . . . . A 30 GLN HE21 . 34077 2 94 . 1 1 30 30 GLN HE22 H 1 6.726 0.000 . 1 . . . . A 30 GLN HE22 . 34077 2 95 . 1 1 30 30 GLN CA C 13 56.864 0.018 . 1 . . . . A 30 GLN CA . 34077 2 96 . 1 1 30 30 GLN N N 15 113.449 0.014 . 1 . . . . A 30 GLN N . 34077 2 97 . 1 1 30 30 GLN NE2 N 15 112.141 0.002 . 1 . . . . A 30 GLN NE2 . 34077 2 98 . 1 1 31 31 LEU H H 1 8.166 0.004 . 1 . . . . A 31 LEU H . 34077 2 99 . 1 1 31 31 LEU CA C 13 54.245 0.031 . 1 . . . . A 31 LEU CA . 34077 2 100 . 1 1 31 31 LEU N N 15 118.972 0.050 . 1 . . . . A 31 LEU N . 34077 2 101 . 1 1 32 32 ASP H H 1 8.705 0.003 . 1 . . . . A 32 ASP H . 34077 2 102 . 1 1 32 32 ASP CA C 13 55.094 0.006 . 1 . . . . A 32 ASP CA . 34077 2 103 . 1 1 32 32 ASP N N 15 120.355 0.032 . 1 . . . . A 32 ASP N . 34077 2 104 . 1 1 33 33 GLU H H 1 8.223 0.003 . 1 . . . . A 33 GLU H . 34077 2 105 . 1 1 33 33 GLU CA C 13 56.698 0.000 . 1 . . . . A 33 GLU CA . 34077 2 106 . 1 1 33 33 GLU N N 15 118.783 0.022 . 1 . . . . A 33 GLU N . 34077 2 107 . 1 1 34 34 GLU H H 1 8.091 0.004 . 1 . . . . A 34 GLU H . 34077 2 108 . 1 1 34 34 GLU CA C 13 56.647 0.030 . 1 . . . . A 34 GLU CA . 34077 2 109 . 1 1 34 34 GLU N N 15 121.739 0.043 . 1 . . . . A 34 GLU N . 34077 2 110 . 1 1 35 35 GLY H H 1 8.182 0.004 . 1 . . . . A 35 GLY H . 34077 2 111 . 1 1 35 35 GLY CA C 13 45.033 0.018 . 1 . . . . A 35 GLY CA . 34077 2 112 . 1 1 35 35 GLY N N 15 110.093 0.019 . 1 . . . . A 35 GLY N . 34077 2 113 . 1 1 36 36 GLN H H 1 7.903 0.002 . 1 . . . . A 36 GLN H . 34077 2 114 . 1 1 36 36 GLN CA C 13 55.483 0.010 . 1 . . . . A 36 GLN CA . 34077 2 115 . 1 1 36 36 GLN N N 15 119.161 0.041 . 1 . . . . A 36 GLN N . 34077 2 116 . 1 1 37 37 PHE H H 1 9.472 0.011 . 1 . . . . A 37 PHE H . 34077 2 117 . 1 1 37 37 PHE CA C 13 59.086 0.005 . 1 . . . . A 37 PHE CA . 34077 2 118 . 1 1 37 37 PHE N N 15 122.096 0.052 . 1 . . . . A 37 PHE N . 34077 2 119 . 1 1 38 38 LEU H H 1 8.639 0.005 . 1 . . . . A 38 LEU H . 34077 2 120 . 1 1 38 38 LEU CA C 13 54.605 0.017 . 1 . . . . A 38 LEU CA . 34077 2 121 . 1 1 38 38 LEU N N 15 125.462 0.030 . 1 . . . . A 38 LEU N . 34077 2 122 . 1 1 39 39 VAL H H 1 8.088 0.004 . 1 . . . . A 39 VAL H . 34077 2 123 . 1 1 39 39 VAL CA C 13 66.107 0.007 . 1 . . . . A 39 VAL CA . 34077 2 124 . 1 1 39 39 VAL N N 15 116.246 0.037 . 1 . . . . A 39 VAL N . 34077 2 125 . 1 1 40 40 ARG H H 1 8.067 0.005 . 1 . . . . A 40 ARG H . 34077 2 126 . 1 1 40 40 ARG CA C 13 56.171 0.010 . 1 . . . . A 40 ARG CA . 34077 2 127 . 1 1 40 40 ARG N N 15 112.445 0.043 . 1 . . . . A 40 ARG N . 34077 2 128 . 1 1 41 41 ILE H H 1 7.412 0.001 . 1 . . . . A 41 ILE H . 34077 2 129 . 1 1 41 41 ILE CA C 13 58.224 0.011 . 1 . . . . A 41 ILE CA . 34077 2 130 . 1 1 41 41 ILE N N 15 120.703 0.000 . 1 . . . . A 41 ILE N . 34077 2 131 . 1 1 42 42 ILE H H 1 7.973 0.005 . 1 . . . . A 42 ILE H . 34077 2 132 . 1 1 42 42 ILE CA C 13 62.404 0.006 . 1 . . . . A 42 ILE CA . 34077 2 133 . 1 1 42 42 ILE N N 15 124.492 0.021 . 1 . . . . A 42 ILE N . 34077 2 134 . 1 1 43 43 TYR H H 1 7.987 0.003 . 1 . . . . A 43 TYR H . 34077 2 135 . 1 1 43 43 TYR CA C 13 57.032 0.000 . 1 . . . . A 43 TYR CA . 34077 2 136 . 1 1 43 43 TYR N N 15 126.526 0.029 . 1 . . . . A 43 TYR N . 34077 2 137 . 1 1 46 46 SER H H 1 8.979 0.004 . 1 . . . . A 46 SER H . 34077 2 138 . 1 1 46 46 SER CA C 13 62.012 0.000 . 1 . . . . A 46 SER CA . 34077 2 139 . 1 1 46 46 SER N N 15 114.422 0.041 . 1 . . . . A 46 SER N . 34077 2 140 . 1 1 47 47 LYS H H 1 7.467 0.004 . 1 . . . . A 47 LYS H . 34077 2 141 . 1 1 47 47 LYS CA C 13 59.197 0.026 . 1 . . . . A 47 LYS CA . 34077 2 142 . 1 1 47 47 LYS N N 15 118.891 0.046 . 1 . . . . A 47 LYS N . 34077 2 143 . 1 1 48 48 THR H H 1 7.539 0.006 . 1 . . . . A 48 THR H . 34077 2 144 . 1 1 48 48 THR CA C 13 67.051 0.054 . 1 . . . . A 48 THR CA . 34077 2 145 . 1 1 48 48 THR N N 15 114.530 0.041 . 1 . . . . A 48 THR N . 34077 2 146 . 1 1 49 49 TYR H H 1 7.162 0.005 . 1 . . . . A 49 TYR H . 34077 2 147 . 1 1 49 49 TYR CA C 13 62.183 0.005 . 1 . . . . A 49 TYR CA . 34077 2 148 . 1 1 49 49 TYR N N 15 119.074 0.019 . 1 . . . . A 49 TYR N . 34077 2 149 . 1 1 50 50 ASP H H 1 9.024 0.001 . 1 . . . . A 50 ASP H . 34077 2 150 . 1 1 50 50 ASP CA C 13 57.612 0.016 . 1 . . . . A 50 ASP CA . 34077 2 151 . 1 1 50 50 ASP N N 15 120.741 0.000 . 1 . . . . A 50 ASP N . 34077 2 152 . 1 1 51 51 LEU H H 1 7.865 0.005 . 1 . . . . A 51 LEU H . 34077 2 153 . 1 1 51 51 LEU CA C 13 58.404 0.009 . 1 . . . . A 51 LEU CA . 34077 2 154 . 1 1 51 51 LEU N N 15 121.630 0.021 . 1 . . . . A 51 LEU N . 34077 2 155 . 1 1 52 52 VAL H H 1 8.145 0.005 . 1 . . . . A 52 VAL H . 34077 2 156 . 1 1 52 52 VAL CA C 13 67.608 0.031 . 1 . . . . A 52 VAL CA . 34077 2 157 . 1 1 52 52 VAL N N 15 119.729 0.023 . 1 . . . . A 52 VAL N . 34077 2 158 . 1 1 53 53 ALA H H 1 8.114 0.005 . 1 . . . . A 53 ALA H . 34077 2 159 . 1 1 53 53 ALA CA C 13 55.321 0.000 . 1 . . . . A 53 ALA CA . 34077 2 160 . 1 1 53 53 ALA N N 15 121.963 0.038 . 1 . . . . A 53 ALA N . 34077 2 161 . 1 1 54 54 ALA H H 1 8.102 0.006 . 1 . . . . A 54 ALA H . 34077 2 162 . 1 1 54 54 ALA CA C 13 55.156 0.004 . 1 . . . . A 54 ALA CA . 34077 2 163 . 1 1 54 54 ALA N N 15 121.289 0.018 . 1 . . . . A 54 ALA N . 34077 2 164 . 1 1 55 55 ALA H H 1 8.910 0.004 . 1 . . . . A 55 ALA H . 34077 2 165 . 1 1 55 55 ALA CA C 13 55.169 0.017 . 1 . . . . A 55 ALA CA . 34077 2 166 . 1 1 55 55 ALA N N 15 120.859 0.018 . 1 . . . . A 55 ALA N . 34077 2 167 . 1 1 56 56 SER H H 1 8.281 0.005 . 1 . . . . A 56 SER H . 34077 2 168 . 1 1 56 56 SER CA C 13 61.513 0.007 . 1 . . . . A 56 SER CA . 34077 2 169 . 1 1 56 56 SER N N 15 112.691 0.020 . 1 . . . . A 56 SER N . 34077 2 170 . 1 1 57 57 LYS H H 1 7.448 0.012 . 1 . . . . A 57 LYS H . 34077 2 171 . 1 1 57 57 LYS CA C 13 59.294 0.007 . 1 . . . . A 57 LYS CA . 34077 2 172 . 1 1 57 57 LYS N N 15 120.080 0.063 . 1 . . . . A 57 LYS N . 34077 2 173 . 1 1 58 58 VAL H H 1 8.520 0.003 . 1 . . . . A 58 VAL H . 34077 2 174 . 1 1 58 58 VAL CA C 13 66.081 0.000 . 1 . . . . A 58 VAL CA . 34077 2 175 . 1 1 58 58 VAL N N 15 119.111 0.023 . 1 . . . . A 58 VAL N . 34077 2 176 . 1 1 59 59 LEU H H 1 8.508 0.003 . 1 . . . . A 59 LEU H . 34077 2 177 . 1 1 59 59 LEU HD21 H 1 0.161 0.001 . 1 . . . . A 59 LEU HD21 . 34077 2 178 . 1 1 59 59 LEU HD22 H 1 0.161 0.001 . 1 . . . . A 59 LEU HD22 . 34077 2 179 . 1 1 59 59 LEU HD23 H 1 0.161 0.001 . 1 . . . . A 59 LEU HD23 . 34077 2 180 . 1 1 59 59 LEU CA C 13 54.814 0.041 . 1 . . . . A 59 LEU CA . 34077 2 181 . 1 1 59 59 LEU CD1 C 13 24.490 0.000 . 2 . . . . A 59 LEU CD1 . 34077 2 182 . 1 1 59 59 LEU CD2 C 13 21.382 0.021 . 2 . . . . A 59 LEU CD2 . 34077 2 183 . 1 1 59 59 LEU N N 15 114.953 0.013 . 1 . . . . A 59 LEU N . 34077 2 184 . 1 1 60 60 ASN H H 1 7.575 0.005 . 1 . . . . A 60 ASN H . 34077 2 185 . 1 1 60 60 ASN HD21 H 1 7.456 0.000 . 1 . . . . A 60 ASN HD21 . 34077 2 186 . 1 1 60 60 ASN HD22 H 1 6.750 0.000 . 1 . . . . A 60 ASN HD22 . 34077 2 187 . 1 1 60 60 ASN CA C 13 54.120 0.015 . 1 . . . . A 60 ASN CA . 34077 2 188 . 1 1 60 60 ASN N N 15 116.055 0.016 . 1 . . . . A 60 ASN N . 34077 2 189 . 1 1 60 60 ASN ND2 N 15 111.740 0.009 . 1 . . . . A 60 ASN ND2 . 34077 2 190 . 1 1 61 61 LEU H H 1 7.616 0.005 . 1 . . . . A 61 LEU H . 34077 2 191 . 1 1 61 61 LEU CA C 13 52.903 0.018 . 1 . . . . A 61 LEU CA . 34077 2 192 . 1 1 61 61 LEU N N 15 117.218 0.019 . 1 . . . . A 61 LEU N . 34077 2 193 . 1 1 62 62 ASN H H 1 9.038 0.004 . 1 . . . . A 62 ASN H . 34077 2 194 . 1 1 62 62 ASN HD21 H 1 7.122 0.000 . 1 . . . . A 62 ASN HD21 . 34077 2 195 . 1 1 62 62 ASN HD22 H 1 7.841 0.000 . 1 . . . . A 62 ASN HD22 . 34077 2 196 . 1 1 62 62 ASN CA C 13 53.551 0.066 . 1 . . . . A 62 ASN CA . 34077 2 197 . 1 1 62 62 ASN N N 15 120.272 0.022 . 1 . . . . A 62 ASN N . 34077 2 198 . 1 1 62 62 ASN ND2 N 15 114.516 0.006 . 1 . . . . A 62 ASN ND2 . 34077 2 199 . 1 1 63 63 ALA H H 1 9.045 0.004 . 1 . . . . A 63 ALA H . 34077 2 200 . 1 1 63 63 ALA CA C 13 56.133 0.012 . 1 . . . . A 63 ALA CA . 34077 2 201 . 1 1 63 63 ALA N N 15 125.548 0.034 . 1 . . . . A 63 ALA N . 34077 2 202 . 1 1 64 64 GLY H H 1 8.552 0.003 . 1 . . . . A 64 GLY H . 34077 2 203 . 1 1 64 64 GLY CA C 13 47.999 0.002 . 1 . . . . A 64 GLY CA . 34077 2 204 . 1 1 64 64 GLY N N 15 104.005 0.023 . 1 . . . . A 64 GLY N . 34077 2 205 . 1 1 65 65 GLU H H 1 7.412 0.000 . 1 . . . . A 65 GLU H . 34077 2 206 . 1 1 65 65 GLU CA C 13 59.380 0.024 . 1 . . . . A 65 GLU CA . 34077 2 207 . 1 1 65 65 GLU N N 15 120.703 0.000 . 1 . . . . A 65 GLU N . 34077 2 208 . 1 1 66 66 ILE H H 1 7.758 0.006 . 1 . . . . A 66 ILE H . 34077 2 209 . 1 1 66 66 ILE CA C 13 64.167 0.004 . 1 . . . . A 66 ILE CA . 34077 2 210 . 1 1 66 66 ILE N N 15 119.336 0.024 . 1 . . . . A 66 ILE N . 34077 2 211 . 1 1 67 67 LEU H H 1 8.858 0.005 . 1 . . . . A 67 LEU H . 34077 2 212 . 1 1 67 67 LEU CA C 13 58.490 0.015 . 1 . . . . A 67 LEU CA . 34077 2 213 . 1 1 67 67 LEU N N 15 119.923 0.024 . 1 . . . . A 67 LEU N . 34077 2 214 . 1 1 68 68 GLN H H 1 8.210 0.017 . 1 . . . . A 68 GLN H . 34077 2 215 . 1 1 68 68 GLN HE21 H 1 8.083 0.000 . 1 . . . . A 68 GLN HE21 . 34077 2 216 . 1 1 68 68 GLN HE22 H 1 6.828 0.000 . 1 . . . . A 68 GLN HE22 . 34077 2 217 . 1 1 68 68 GLN CA C 13 60.822 0.008 . 1 . . . . A 68 GLN CA . 34077 2 218 . 1 1 68 68 GLN N N 15 118.980 0.180 . 1 . . . . A 68 GLN N . 34077 2 219 . 1 1 68 68 GLN NE2 N 15 110.915 0.000 . 1 . . . . A 68 GLN NE2 . 34077 2 220 . 1 1 69 69 MET H H 1 8.163 0.005 . 1 . . . . A 69 MET H . 34077 2 221 . 1 1 69 69 MET CA C 13 59.633 0.068 . 1 . . . . A 69 MET CA . 34077 2 222 . 1 1 69 69 MET N N 15 120.799 0.026 . 1 . . . . A 69 MET N . 34077 2 223 . 1 1 70 70 PHE H H 1 9.218 0.006 . 1 . . . . A 70 PHE H . 34077 2 224 . 1 1 70 70 PHE HA H 1 4.259 0.000 . 1 . . . . A 70 PHE HA . 34077 2 225 . 1 1 70 70 PHE CA C 13 59.548 0.017 . 1 . . . . A 70 PHE CA . 34077 2 226 . 1 1 70 70 PHE N N 15 122.069 0.022 . 1 . . . . A 70 PHE N . 34077 2 227 . 1 1 71 71 GLY H H 1 8.585 0.005 . 1 . . . . A 71 GLY H . 34077 2 228 . 1 1 71 71 GLY CA C 13 48.607 0.006 . 1 . . . . A 71 GLY CA . 34077 2 229 . 1 1 71 71 GLY N N 15 107.920 0.023 . 1 . . . . A 71 GLY N . 34077 2 230 . 1 1 72 72 LYS H H 1 7.525 0.006 . 1 . . . . A 72 LYS H . 34077 2 231 . 1 1 72 72 LYS CA C 13 60.068 0.000 . 1 . . . . A 72 LYS CA . 34077 2 232 . 1 1 72 72 LYS N N 15 120.939 0.025 . 1 . . . . A 72 LYS N . 34077 2 233 . 1 1 73 73 MET H H 1 8.132 0.009 . 1 . . . . A 73 MET H . 34077 2 234 . 1 1 73 73 MET CA C 13 56.490 0.006 . 1 . . . . A 73 MET CA . 34077 2 235 . 1 1 73 73 MET N N 15 117.814 0.025 . 1 . . . . A 73 MET N . 34077 2 236 . 1 1 74 74 PHE H H 1 9.362 0.005 . 1 . . . . A 74 PHE H . 34077 2 237 . 1 1 74 74 PHE CA C 13 62.144 0.004 . 1 . . . . A 74 PHE CA . 34077 2 238 . 1 1 74 74 PHE N N 15 121.280 0.040 . 1 . . . . A 74 PHE N . 34077 2 239 . 1 1 75 75 PHE H H 1 7.959 0.007 . 1 . . . . A 75 PHE H . 34077 2 240 . 1 1 75 75 PHE CA C 13 62.871 0.016 . 1 . . . . A 75 PHE CA . 34077 2 241 . 1 1 75 75 PHE N N 15 119.290 0.038 . 1 . . . . A 75 PHE N . 34077 2 242 . 1 1 76 76 VAL H H 1 8.066 0.008 . 1 . . . . A 76 VAL H . 34077 2 243 . 1 1 76 76 VAL CA C 13 66.780 0.085 . 1 . . . . A 76 VAL CA . 34077 2 244 . 1 1 76 76 VAL N N 15 121.359 0.035 . 1 . . . . A 76 VAL N . 34077 2 245 . 1 1 77 77 PHE H H 1 8.993 0.003 . 1 . . . . A 77 PHE H . 34077 2 246 . 1 1 77 77 PHE CA C 13 59.686 0.018 . 1 . . . . A 77 PHE CA . 34077 2 247 . 1 1 77 77 PHE N N 15 120.413 0.021 . 1 . . . . A 77 PHE N . 34077 2 248 . 1 1 78 78 CYS H H 1 8.300 0.005 . 1 . . . . A 78 CYS H . 34077 2 249 . 1 1 78 78 CYS CA C 13 64.978 0.015 . 1 . . . . A 78 CYS CA . 34077 2 250 . 1 1 78 78 CYS N N 15 120.424 0.040 . 1 . . . . A 78 CYS N . 34077 2 251 . 1 1 79 79 GLN H H 1 8.056 0.006 . 1 . . . . A 79 GLN H . 34077 2 252 . 1 1 79 79 GLN CA C 13 59.724 0.005 . 1 . . . . A 79 GLN CA . 34077 2 253 . 1 1 79 79 GLN N N 15 120.714 0.035 . 1 . . . . A 79 GLN N . 34077 2 254 . 1 1 80 80 GLU H H 1 8.633 0.007 . 1 . . . . A 80 GLU H . 34077 2 255 . 1 1 80 80 GLU CA C 13 58.925 0.007 . 1 . . . . A 80 GLU CA . 34077 2 256 . 1 1 80 80 GLU N N 15 119.865 0.045 . 1 . . . . A 80 GLU N . 34077 2 257 . 1 1 81 81 SER H H 1 7.430 0.004 . 1 . . . . A 81 SER H . 34077 2 258 . 1 1 81 81 SER CA C 13 58.578 0.034 . 1 . . . . A 81 SER CA . 34077 2 259 . 1 1 81 81 SER N N 15 111.461 0.020 . 1 . . . . A 81 SER N . 34077 2 260 . 1 1 82 82 GLY H H 1 7.494 0.006 . 1 . . . . A 82 GLY H . 34077 2 261 . 1 1 82 82 GLY CA C 13 45.628 0.000 . 1 . . . . A 82 GLY CA . 34077 2 262 . 1 1 82 82 GLY N N 15 106.819 0.044 . 1 . . . . A 82 GLY N . 34077 2 263 . 1 1 83 83 TYR H H 1 8.093 0.006 . 1 . . . . A 83 TYR H . 34077 2 264 . 1 1 83 83 TYR N N 15 117.543 0.030 . 1 . . . . A 83 TYR N . 34077 2 265 . 1 1 84 84 ASP H H 1 8.861 0.009 . 1 . . . . A 84 ASP H . 34077 2 266 . 1 1 84 84 ASP N N 15 118.803 0.059 . 1 . . . . A 84 ASP N . 34077 2 267 . 1 1 89 89 VAL H H 1 7.699 0.002 . 1 . . . . A 89 VAL H . 34077 2 268 . 1 1 89 89 VAL CA C 13 62.729 0.000 . 1 . . . . A 89 VAL CA . 34077 2 269 . 1 1 89 89 VAL N N 15 111.791 0.028 . 1 . . . . A 89 VAL N . 34077 2 270 . 1 1 90 90 LEU CA C 13 56.733 0.000 . 1 . . . . A 90 LEU CA . 34077 2 271 . 1 1 91 91 GLY H H 1 7.461 0.003 . 1 . . . . A 91 GLY H . 34077 2 272 . 1 1 91 91 GLY CA C 13 46.036 0.000 . 1 . . . . A 91 GLY CA . 34077 2 273 . 1 1 91 91 GLY N N 15 100.420 0.027 . 1 . . . . A 91 GLY N . 34077 2 274 . 1 1 92 92 SER H H 1 9.275 0.006 . 1 . . . . A 92 SER H . 34077 2 275 . 1 1 92 92 SER CA C 13 59.119 0.000 . 1 . . . . A 92 SER CA . 34077 2 276 . 1 1 92 92 SER N N 15 116.455 0.056 . 1 . . . . A 92 SER N . 34077 2 277 . 1 1 93 93 ASN H H 1 7.606 0.004 . 1 . . . . A 93 ASN H . 34077 2 278 . 1 1 93 93 ASN HD21 H 1 7.358 0.000 . 1 . . . . A 93 ASN HD21 . 34077 2 279 . 1 1 93 93 ASN HD22 H 1 6.672 0.000 . 1 . . . . A 93 ASN HD22 . 34077 2 280 . 1 1 93 93 ASN CA C 13 51.525 0.017 . 1 . . . . A 93 ASN CA . 34077 2 281 . 1 1 93 93 ASN N N 15 115.498 0.021 . 1 . . . . A 93 ASN N . 34077 2 282 . 1 1 93 93 ASN ND2 N 15 113.673 0.035 . 1 . . . . A 93 ASN ND2 . 34077 2 283 . 1 1 94 94 VAL H H 1 8.465 0.007 . 1 . . . . A 94 VAL H . 34077 2 284 . 1 1 94 94 VAL CA C 13 66.773 0.004 . 1 . . . . A 94 VAL CA . 34077 2 285 . 1 1 94 94 VAL N N 15 118.472 0.018 . 1 . . . . A 94 VAL N . 34077 2 286 . 1 1 95 95 ARG H H 1 8.113 0.003 . 1 . . . . A 95 ARG H . 34077 2 287 . 1 1 95 95 ARG CA C 13 60.537 0.007 . 1 . . . . A 95 ARG CA . 34077 2 288 . 1 1 95 95 ARG N N 15 120.318 0.021 . 1 . . . . A 95 ARG N . 34077 2 289 . 1 1 96 96 GLU H H 1 8.327 0.003 . 1 . . . . A 96 GLU H . 34077 2 290 . 1 1 96 96 GLU CA C 13 59.465 0.000 . 1 . . . . A 96 GLU CA . 34077 2 291 . 1 1 96 96 GLU N N 15 117.963 0.024 . 1 . . . . A 96 GLU N . 34077 2 292 . 1 1 97 97 PHE H H 1 7.830 0.001 . 1 . . . . A 97 PHE H . 34077 2 293 . 1 1 97 97 PHE CA C 13 61.239 0.007 . 1 . . . . A 97 PHE CA . 34077 2 294 . 1 1 97 97 PHE N N 15 117.907 0.000 . 1 . . . . A 97 PHE N . 34077 2 295 . 1 1 98 98 LEU H H 1 8.071 0.001 . 1 . . . . A 98 LEU H . 34077 2 296 . 1 1 98 98 LEU CA C 13 57.439 0.052 . 1 . . . . A 98 LEU CA . 34077 2 297 . 1 1 98 98 LEU N N 15 115.883 0.030 . 1 . . . . A 98 LEU N . 34077 2 298 . 1 1 99 99 GLN H H 1 8.227 0.003 . 1 . . . . A 99 GLN H . 34077 2 299 . 1 1 99 99 GLN HE21 H 1 7.390 0.001 . 1 . . . . A 99 GLN HE21 . 34077 2 300 . 1 1 99 99 GLN HE22 H 1 6.815 0.001 . 1 . . . . A 99 GLN HE22 . 34077 2 301 . 1 1 99 99 GLN CA C 13 58.329 0.021 . 1 . . . . A 99 GLN CA . 34077 2 302 . 1 1 99 99 GLN CD C 13 180.577 0.015 . 1 . . . . A 99 GLN CD . 34077 2 303 . 1 1 99 99 GLN N N 15 115.859 0.019 . 1 . . . . A 99 GLN N . 34077 2 304 . 1 1 99 99 GLN NE2 N 15 110.452 0.006 . 1 . . . . A 99 GLN NE2 . 34077 2 305 . 1 1 100 100 ASN H H 1 7.665 0.012 . 1 . . . . A 100 ASN H . 34077 2 306 . 1 1 100 100 ASN HD21 H 1 6.734 0.000 . 1 . . . . A 100 ASN HD21 . 34077 2 307 . 1 1 100 100 ASN C C 13 175.707 0.000 . 1 . . . . A 100 ASN C . 34077 2 308 . 1 1 100 100 ASN CA C 13 53.111 0.009 . 1 . . . . A 100 ASN CA . 34077 2 309 . 1 1 100 100 ASN N N 15 116.229 0.023 . 1 . . . . A 100 ASN N . 34077 2 310 . 1 1 100 100 ASN ND2 N 15 109.405 0.000 . 1 . . . . A 100 ASN ND2 . 34077 2 311 . 1 1 101 101 LEU H H 1 7.233 0.007 . 1 . . . . A 101 LEU H . 34077 2 312 . 1 1 101 101 LEU HD11 H 1 0.109 0.000 . 2 . . . . A 101 LEU HD11 . 34077 2 313 . 1 1 101 101 LEU HD12 H 1 0.109 0.000 . 2 . . . . A 101 LEU HD12 . 34077 2 314 . 1 1 101 101 LEU HD13 H 1 0.109 0.000 . 2 . . . . A 101 LEU HD13 . 34077 2 315 . 1 1 101 101 LEU HD21 H 1 0.180 0.000 . 2 . . . . A 101 LEU HD21 . 34077 2 316 . 1 1 101 101 LEU HD22 H 1 0.180 0.000 . 2 . . . . A 101 LEU HD22 . 34077 2 317 . 1 1 101 101 LEU HD23 H 1 0.180 0.000 . 2 . . . . A 101 LEU HD23 . 34077 2 318 . 1 1 101 101 LEU CA C 13 58.075 0.000 . 1 . . . . A 101 LEU CA . 34077 2 319 . 1 1 101 101 LEU CD1 C 13 23.848 0.000 . 2 . . . . A 101 LEU CD1 . 34077 2 320 . 1 1 101 101 LEU CD2 C 13 25.526 0.000 . 2 . . . . A 101 LEU CD2 . 34077 2 321 . 1 1 101 101 LEU N N 15 121.824 0.032 . 1 . . . . A 101 LEU N . 34077 2 322 . 1 1 102 102 ASP C C 13 178.380 0.000 . 1 . . . . A 102 ASP C . 34077 2 323 . 1 1 102 102 ASP CA C 13 57.505 0.000 . 1 . . . . A 102 ASP CA . 34077 2 324 . 1 1 103 103 ALA H H 1 7.925 0.006 . 1 . . . . A 103 ALA H . 34077 2 325 . 1 1 103 103 ALA CA C 13 54.298 0.000 . 1 . . . . A 103 ALA CA . 34077 2 326 . 1 1 103 103 ALA N N 15 122.818 0.026 . 1 . . . . A 103 ALA N . 34077 2 327 . 1 1 110 110 THR H H 1 7.428 0.004 . 1 . . . . A 110 THR H . 34077 2 328 . 1 1 110 110 THR N N 15 108.935 0.053 . 1 . . . . A 110 THR N . 34077 2 329 . 1 1 114 114 GLY CA C 13 45.350 0.000 . 1 . . . . A 114 GLY CA . 34077 2 330 . 1 1 115 115 MET H H 1 8.261 0.008 . 1 . . . . A 115 MET H . 34077 2 331 . 1 1 115 115 MET CA C 13 58.104 0.020 . 1 . . . . A 115 MET CA . 34077 2 332 . 1 1 115 115 MET N N 15 122.002 0.016 . 1 . . . . A 115 MET N . 34077 2 333 . 1 1 116 116 ARG H H 1 9.832 0.005 . 1 . . . . A 116 ARG H . 34077 2 334 . 1 1 116 116 ARG CA C 13 54.358 0.000 . 1 . . . . A 116 ARG CA . 34077 2 335 . 1 1 116 116 ARG N N 15 131.452 0.041 . 1 . . . . A 116 ARG N . 34077 2 336 . 1 1 117 117 ALA H H 1 8.412 0.003 . 1 . . . . A 117 ALA H . 34077 2 337 . 1 1 117 117 ALA CA C 13 51.101 0.000 . 1 . . . . A 117 ALA CA . 34077 2 338 . 1 1 117 117 ALA N N 15 124.815 0.027 . 1 . . . . A 117 ALA N . 34077 2 339 . 1 1 118 118 PRO CA C 13 62.596 0.000 . 1 . . . . A 118 PRO CA . 34077 2 340 . 1 1 119 119 SER H H 1 8.585 0.004 . 1 . . . . A 119 SER H . 34077 2 341 . 1 1 119 119 SER CA C 13 57.020 0.000 . 1 . . . . A 119 SER CA . 34077 2 342 . 1 1 119 119 SER N N 15 112.620 0.027 . 1 . . . . A 119 SER N . 34077 2 343 . 1 1 120 120 PHE H H 1 8.348 0.001 . 1 . . . . A 120 PHE H . 34077 2 344 . 1 1 120 120 PHE HA H 1 6.339 0.000 . 1 . . . . A 120 PHE HA . 34077 2 345 . 1 1 120 120 PHE CA C 13 56.682 0.034 . 1 . . . . A 120 PHE CA . 34077 2 346 . 1 1 120 120 PHE N N 15 120.908 0.086 . 1 . . . . A 120 PHE N . 34077 2 347 . 1 1 121 121 ARG H H 1 8.861 0.005 . 1 . . . . A 121 ARG H . 34077 2 348 . 1 1 121 121 ARG CA C 13 55.385 0.006 . 1 . . . . A 121 ARG CA . 34077 2 349 . 1 1 121 121 ARG N N 15 117.874 0.009 . 1 . . . . A 121 ARG N . 34077 2 350 . 1 1 122 122 CYS H H 1 9.383 0.011 . 1 . . . . A 122 CYS H . 34077 2 351 . 1 1 122 122 CYS HA H 1 6.093 0.000 . 1 . . . . A 122 CYS HA . 34077 2 352 . 1 1 122 122 CYS CA C 13 57.808 0.064 . 1 . . . . A 122 CYS CA . 34077 2 353 . 1 1 122 122 CYS N N 15 123.697 0.118 . 1 . . . . A 122 CYS N . 34077 2 354 . 1 1 123 123 THR H H 1 9.667 0.004 . 1 . . . . A 123 THR H . 34077 2 355 . 1 1 123 123 THR CA C 13 60.639 0.020 . 1 . . . . A 123 THR CA . 34077 2 356 . 1 1 123 123 THR N N 15 119.536 0.056 . 1 . . . . A 123 THR N . 34077 2 357 . 1 1 124 124 ASP H H 1 8.527 0.010 . 1 . . . . A 124 ASP H . 34077 2 358 . 1 1 124 124 ASP CA C 13 55.412 0.014 . 1 . . . . A 124 ASP CA . 34077 2 359 . 1 1 124 124 ASP N N 15 120.774 0.030 . 1 . . . . A 124 ASP N . 34077 2 360 . 1 1 125 125 ALA H H 1 8.024 0.006 . 1 . . . . A 125 ALA H . 34077 2 361 . 1 1 125 125 ALA CA C 13 52.188 0.023 . 1 . . . . A 125 ALA CA . 34077 2 362 . 1 1 125 125 ALA N N 15 124.029 0.022 . 1 . . . . A 125 ALA N . 34077 2 363 . 1 1 126 126 GLU H H 1 8.668 0.008 . 1 . . . . A 126 GLU H . 34077 2 364 . 1 1 126 126 GLU CA C 13 58.287 0.000 . 1 . . . . A 126 GLU CA . 34077 2 365 . 1 1 126 126 GLU N N 15 120.727 0.032 . 1 . . . . A 126 GLU N . 34077 2 366 . 1 1 127 127 LYS H H 1 8.104 0.000 . 1 . . . . A 127 LYS H . 34077 2 367 . 1 1 127 127 LYS CA C 13 56.520 0.000 . 1 . . . . A 127 LYS CA . 34077 2 368 . 1 1 127 127 LYS N N 15 117.311 0.000 . 1 . . . . A 127 LYS N . 34077 2 369 . 1 1 129 129 LYS H H 1 8.217 0.017 . 1 . . . . A 129 LYS H . 34077 2 370 . 1 1 129 129 LYS CA C 13 55.936 0.000 . 1 . . . . A 129 LYS CA . 34077 2 371 . 1 1 129 129 LYS N N 15 118.998 0.209 . 1 . . . . A 129 LYS N . 34077 2 372 . 1 1 130 130 GLY H H 1 8.265 0.006 . 1 . . . . A 130 GLY H . 34077 2 373 . 1 1 130 130 GLY CA C 13 45.238 0.016 . 1 . . . . A 130 GLY CA . 34077 2 374 . 1 1 130 130 GLY N N 15 108.386 0.012 . 1 . . . . A 130 GLY N . 34077 2 375 . 1 1 131 131 LEU H H 1 8.823 0.004 . 1 . . . . A 131 LEU H . 34077 2 376 . 1 1 131 131 LEU CA C 13 53.972 0.007 . 1 . . . . A 131 LEU CA . 34077 2 377 . 1 1 131 131 LEU N N 15 121.783 0.033 . 1 . . . . A 131 LEU N . 34077 2 378 . 1 1 132 132 ILE H H 1 9.289 0.005 . 1 . . . . A 132 ILE H . 34077 2 379 . 1 1 132 132 ILE CA C 13 58.874 0.006 . 1 . . . . A 132 ILE CA . 34077 2 380 . 1 1 132 132 ILE N N 15 122.701 0.064 . 1 . . . . A 132 ILE N . 34077 2 381 . 1 1 133 133 LEU H H 1 9.157 0.005 . 1 . . . . A 133 LEU H . 34077 2 382 . 1 1 133 133 LEU CA C 13 52.878 0.080 . 1 . . . . A 133 LEU CA . 34077 2 383 . 1 1 133 133 LEU N N 15 127.669 0.021 . 1 . . . . A 133 LEU N . 34077 2 384 . 1 1 134 134 HIS H H 1 10.033 0.006 . 1 . . . . A 134 HIS H . 34077 2 385 . 1 1 134 134 HIS CA C 13 55.820 0.000 . 1 . . . . A 134 HIS CA . 34077 2 386 . 1 1 134 134 HIS N N 15 128.883 0.033 . 1 . . . . A 134 HIS N . 34077 2 387 . 1 1 135 135 TYR H H 1 9.351 0.010 . 1 . . . . A 135 TYR H . 34077 2 388 . 1 1 135 135 TYR CA C 13 54.811 0.005 . 1 . . . . A 135 TYR CA . 34077 2 389 . 1 1 135 135 TYR N N 15 126.308 0.040 . 1 . . . . A 135 TYR N . 34077 2 390 . 1 1 136 136 TYR H H 1 9.266 0.004 . 1 . . . . A 136 TYR H . 34077 2 391 . 1 1 136 136 TYR CA C 13 56.565 0.028 . 1 . . . . A 136 TYR CA . 34077 2 392 . 1 1 136 136 TYR N N 15 131.613 0.030 . 1 . . . . A 136 TYR N . 34077 2 393 . 1 1 137 137 SER H H 1 7.826 0.004 . 1 . . . . A 137 SER H . 34077 2 394 . 1 1 137 137 SER CA C 13 56.535 0.003 . 1 . . . . A 137 SER CA . 34077 2 395 . 1 1 137 137 SER N N 15 114.858 0.028 . 1 . . . . A 137 SER N . 34077 2 396 . 1 1 138 138 GLU H H 1 9.422 0.004 . 1 . . . . A 138 GLU H . 34077 2 397 . 1 1 138 138 GLU CA C 13 56.923 0.000 . 1 . . . . A 138 GLU CA . 34077 2 398 . 1 1 138 138 GLU N N 15 125.427 0.025 . 1 . . . . A 138 GLU N . 34077 2 399 . 1 1 139 139 ARG H H 1 9.324 0.004 . 1 . . . . A 139 ARG H . 34077 2 400 . 1 1 139 139 ARG CA C 13 55.860 0.000 . 1 . . . . A 139 ARG CA . 34077 2 401 . 1 1 139 139 ARG N N 15 121.339 0.042 . 1 . . . . A 139 ARG N . 34077 2 402 . 1 1 140 140 GLU H H 1 8.457 0.004 . 1 . . . . A 140 GLU H . 34077 2 403 . 1 1 140 140 GLU CA C 13 55.486 0.008 . 1 . . . . A 140 GLU CA . 34077 2 404 . 1 1 140 140 GLU N N 15 121.615 0.015 . 1 . . . . A 140 GLU N . 34077 2 405 . 1 1 141 141 GLY H H 1 8.848 0.005 . 1 . . . . A 141 GLY H . 34077 2 406 . 1 1 141 141 GLY CA C 13 47.568 0.013 . 1 . . . . A 141 GLY CA . 34077 2 407 . 1 1 141 141 GLY N N 15 109.181 0.044 . 1 . . . . A 141 GLY N . 34077 2 408 . 1 1 142 142 LEU H H 1 8.592 0.004 . 1 . . . . A 142 LEU H . 34077 2 409 . 1 1 142 142 LEU CA C 13 54.190 0.000 . 1 . . . . A 142 LEU CA . 34077 2 410 . 1 1 142 142 LEU N N 15 118.141 0.027 . 1 . . . . A 142 LEU N . 34077 2 411 . 1 1 143 143 GLN H H 1 9.408 0.003 . 1 . . . . A 143 GLN H . 34077 2 412 . 1 1 143 143 GLN HE21 H 1 7.262 0.000 . 1 . . . . A 143 GLN HE21 . 34077 2 413 . 1 1 143 143 GLN HE22 H 1 7.635 0.000 . 1 . . . . A 143 GLN HE22 . 34077 2 414 . 1 1 143 143 GLN CA C 13 60.444 0.013 . 1 . . . . A 143 GLN CA . 34077 2 415 . 1 1 143 143 GLN N N 15 121.183 0.015 . 1 . . . . A 143 GLN N . 34077 2 416 . 1 1 143 143 GLN NE2 N 15 111.285 0.003 . 1 . . . . A 143 GLN NE2 . 34077 2 417 . 1 1 144 144 ASP H H 1 9.745 0.003 . 1 . . . . A 144 ASP H . 34077 2 418 . 1 1 144 144 ASP CA C 13 58.777 0.000 . 1 . . . . A 144 ASP CA . 34077 2 419 . 1 1 144 144 ASP N N 15 119.941 0.020 . 1 . . . . A 144 ASP N . 34077 2 420 . 1 1 145 145 ILE H H 1 7.867 0.001 . 1 . . . . A 145 ILE H . 34077 2 421 . 1 1 145 145 ILE CA C 13 65.588 0.000 . 1 . . . . A 145 ILE CA . 34077 2 422 . 1 1 145 145 ILE N N 15 118.660 0.001 . 1 . . . . A 145 ILE N . 34077 2 423 . 1 1 146 146 VAL H H 1 6.782 0.006 . 1 . . . . A 146 VAL H . 34077 2 424 . 1 1 146 146 VAL HA H 1 3.184 0.001 . 1 . . . . A 146 VAL HA . 34077 2 425 . 1 1 146 146 VAL CA C 13 67.081 0.020 . 1 . . . . A 146 VAL CA . 34077 2 426 . 1 1 146 146 VAL N N 15 119.014 0.026 . 1 . . . . A 146 VAL N . 34077 2 427 . 1 1 147 147 ILE H H 1 7.627 0.006 . 1 . . . . A 147 ILE H . 34077 2 428 . 1 1 147 147 ILE CA C 13 65.220 0.000 . 1 . . . . A 147 ILE CA . 34077 2 429 . 1 1 147 147 ILE N N 15 118.243 0.021 . 1 . . . . A 147 ILE N . 34077 2 430 . 1 1 148 148 GLY H H 1 7.836 0.005 . 1 . . . . A 148 GLY H . 34077 2 431 . 1 1 148 148 GLY CA C 13 47.908 0.008 . 1 . . . . A 148 GLY CA . 34077 2 432 . 1 1 148 148 GLY N N 15 103.917 0.019 . 1 . . . . A 148 GLY N . 34077 2 433 . 1 1 149 149 ILE H H 1 8.398 0.002 . 1 . . . . A 149 ILE H . 34077 2 434 . 1 1 149 149 ILE CA C 13 66.395 0.042 . 1 . . . . A 149 ILE CA . 34077 2 435 . 1 1 149 149 ILE N N 15 120.998 0.000 . 1 . . . . A 149 ILE N . 34077 2 436 . 1 1 150 150 ILE H H 1 8.375 0.005 . 1 . . . . A 150 ILE H . 34077 2 437 . 1 1 150 150 ILE CA C 13 65.887 0.007 . 1 . . . . A 150 ILE CA . 34077 2 438 . 1 1 150 150 ILE N N 15 119.073 0.021 . 1 . . . . A 150 ILE N . 34077 2 439 . 1 1 151 151 LYS H H 1 8.826 0.002 . 1 . . . . A 151 LYS H . 34077 2 440 . 1 1 151 151 LYS CA C 13 61.281 0.033 . 1 . . . . A 151 LYS CA . 34077 2 441 . 1 1 151 151 LYS N N 15 117.867 0.000 . 1 . . . . A 151 LYS N . 34077 2 442 . 1 1 152 152 THR H H 1 7.149 0.007 . 1 . . . . A 152 THR H . 34077 2 443 . 1 1 152 152 THR CA C 13 67.216 0.001 . 1 . . . . A 152 THR CA . 34077 2 444 . 1 1 152 152 THR N N 15 115.228 0.009 . 1 . . . . A 152 THR N . 34077 2 445 . 1 1 153 153 VAL H H 1 8.543 0.004 . 1 . . . . A 153 VAL H . 34077 2 446 . 1 1 153 153 VAL HG11 H 1 0.019 0.000 . 1 . . . . A 153 VAL HG11 . 34077 2 447 . 1 1 153 153 VAL HG12 H 1 0.019 0.000 . 1 . . . . A 153 VAL HG12 . 34077 2 448 . 1 1 153 153 VAL HG13 H 1 0.019 0.000 . 1 . . . . A 153 VAL HG13 . 34077 2 449 . 1 1 153 153 VAL CA C 13 66.765 0.033 . 1 . . . . A 153 VAL CA . 34077 2 450 . 1 1 153 153 VAL CG1 C 13 19.751 0.000 . 1 . . . . A 153 VAL CG1 . 34077 2 451 . 1 1 153 153 VAL N N 15 123.387 0.014 . 1 . . . . A 153 VAL N . 34077 2 452 . 1 1 154 154 ALA H H 1 8.367 0.003 . 1 . . . . A 154 ALA H . 34077 2 453 . 1 1 154 154 ALA CA C 13 55.576 0.009 . 1 . . . . A 154 ALA CA . 34077 2 454 . 1 1 154 154 ALA N N 15 120.680 0.038 . 1 . . . . A 154 ALA N . 34077 2 455 . 1 1 155 155 GLN H H 1 7.274 0.006 . 1 . . . . A 155 GLN H . 34077 2 456 . 1 1 155 155 GLN HE21 H 1 7.805 0.000 . 1 . . . . A 155 GLN HE21 . 34077 2 457 . 1 1 155 155 GLN HE22 H 1 6.727 0.000 . 1 . . . . A 155 GLN HE22 . 34077 2 458 . 1 1 155 155 GLN CA C 13 59.260 0.004 . 1 . . . . A 155 GLN CA . 34077 2 459 . 1 1 155 155 GLN N N 15 114.946 0.010 . 1 . . . . A 155 GLN N . 34077 2 460 . 1 1 155 155 GLN NE2 N 15 112.268 0.000 . 1 . . . . A 155 GLN NE2 . 34077 2 461 . 1 1 156 156 GLN H H 1 8.821 0.005 . 1 . . . . A 156 GLN H . 34077 2 462 . 1 1 156 156 GLN HE21 H 1 6.781 0.000 . 1 . . . . A 156 GLN HE21 . 34077 2 463 . 1 1 156 156 GLN HE22 H 1 7.575 0.000 . 1 . . . . A 156 GLN HE22 . 34077 2 464 . 1 1 156 156 GLN CA C 13 58.434 0.004 . 1 . . . . A 156 GLN CA . 34077 2 465 . 1 1 156 156 GLN N N 15 115.376 0.014 . 1 . . . . A 156 GLN N . 34077 2 466 . 1 1 156 156 GLN NE2 N 15 111.637 0.012 . 1 . . . . A 156 GLN NE2 . 34077 2 467 . 1 1 157 157 ILE H H 1 8.353 0.005 . 1 . . . . A 157 ILE H . 34077 2 468 . 1 1 157 157 ILE CA C 13 62.605 0.043 . 1 . . . . A 157 ILE CA . 34077 2 469 . 1 1 157 157 ILE N N 15 116.051 0.019 . 1 . . . . A 157 ILE N . 34077 2 470 . 1 1 158 158 HIS H H 1 6.544 0.004 . 1 . . . . A 158 HIS H . 34077 2 471 . 1 1 158 158 HIS CA C 13 57.434 0.010 . 1 . . . . A 158 HIS CA . 34077 2 472 . 1 1 158 158 HIS N N 15 114.815 0.022 . 1 . . . . A 158 HIS N . 34077 2 473 . 1 1 159 159 GLY H H 1 7.262 0.005 . 1 . . . . A 159 GLY H . 34077 2 474 . 1 1 159 159 GLY CA C 13 47.533 0.025 . 1 . . . . A 159 GLY CA . 34077 2 475 . 1 1 159 159 GLY N N 15 110.332 0.022 . 1 . . . . A 159 GLY N . 34077 2 476 . 1 1 160 160 THR H H 1 8.420 0.004 . 1 . . . . A 160 THR H . 34077 2 477 . 1 1 160 160 THR CA C 13 60.789 0.017 . 1 . . . . A 160 THR CA . 34077 2 478 . 1 1 160 160 THR N N 15 116.660 0.020 . 1 . . . . A 160 THR N . 34077 2 479 . 1 1 161 161 GLU H H 1 8.564 0.002 . 1 . . . . A 161 GLU H . 34077 2 480 . 1 1 161 161 GLU CA C 13 55.628 0.003 . 1 . . . . A 161 GLU CA . 34077 2 481 . 1 1 161 161 GLU N N 15 125.239 0.005 . 1 . . . . A 161 GLU N . 34077 2 482 . 1 1 162 162 ILE H H 1 8.145 0.004 . 1 . . . . A 162 ILE H . 34077 2 483 . 1 1 162 162 ILE CA C 13 58.785 0.003 . 1 . . . . A 162 ILE CA . 34077 2 484 . 1 1 162 162 ILE N N 15 115.730 0.022 . 1 . . . . A 162 ILE N . 34077 2 485 . 1 1 163 163 ASP H H 1 8.974 0.004 . 1 . . . . A 163 ASP H . 34077 2 486 . 1 1 163 163 ASP CA C 13 53.282 0.000 . 1 . . . . A 163 ASP CA . 34077 2 487 . 1 1 163 163 ASP N N 15 121.612 0.016 . 1 . . . . A 163 ASP N . 34077 2 488 . 1 1 164 164 MET CA C 13 55.167 0.000 . 1 . . . . A 164 MET CA . 34077 2 489 . 1 1 165 165 LYS H H 1 8.494 0.003 . 1 . . . . A 165 LYS H . 34077 2 490 . 1 1 165 165 LYS CA C 13 54.338 0.010 . 1 . . . . A 165 LYS CA . 34077 2 491 . 1 1 165 165 LYS N N 15 122.613 0.042 . 1 . . . . A 165 LYS N . 34077 2 492 . 1 1 166 166 VAL H H 1 9.225 0.005 . 1 . . . . A 166 VAL H . 34077 2 493 . 1 1 166 166 VAL CA C 13 64.034 0.031 . 1 . . . . A 166 VAL CA . 34077 2 494 . 1 1 166 166 VAL N N 15 124.236 0.049 . 1 . . . . A 166 VAL N . 34077 2 495 . 1 1 167 167 ILE H H 1 8.667 0.007 . 1 . . . . A 167 ILE H . 34077 2 496 . 1 1 167 167 ILE CA C 13 61.491 0.015 . 1 . . . . A 167 ILE CA . 34077 2 497 . 1 1 167 167 ILE N N 15 122.384 0.033 . 1 . . . . A 167 ILE N . 34077 2 498 . 1 1 168 168 GLN H H 1 7.429 0.003 . 1 . . . . A 168 GLN H . 34077 2 499 . 1 1 168 168 GLN CA C 13 55.968 0.009 . 1 . . . . A 168 GLN CA . 34077 2 500 . 1 1 168 168 GLN N N 15 121.059 0.040 . 1 . . . . A 168 GLN N . 34077 2 501 . 1 1 169 169 GLN H H 1 8.607 0.005 . 1 . . . . A 169 GLN H . 34077 2 502 . 1 1 169 169 GLN HE21 H 1 7.712 0.000 . 1 . . . . A 169 GLN HE21 . 34077 2 503 . 1 1 169 169 GLN HE22 H 1 6.795 0.000 . 1 . . . . A 169 GLN HE22 . 34077 2 504 . 1 1 169 169 GLN CA C 13 54.680 0.015 . 1 . . . . A 169 GLN CA . 34077 2 505 . 1 1 169 169 GLN N N 15 126.722 0.042 . 1 . . . . A 169 GLN N . 34077 2 506 . 1 1 169 169 GLN NE2 N 15 113.921 0.012 . 1 . . . . A 169 GLN NE2 . 34077 2 507 . 1 1 170 170 ARG H H 1 7.835 0.006 . 1 . . . . A 170 ARG H . 34077 2 508 . 1 1 170 170 ARG CA C 13 57.036 0.004 . 1 . . . . A 170 ARG CA . 34077 2 509 . 1 1 170 170 ARG N N 15 122.932 0.029 . 1 . . . . A 170 ARG N . 34077 2 510 . 1 1 171 171 ASN H H 1 9.150 0.007 . 1 . . . . A 171 ASN H . 34077 2 511 . 1 1 171 171 ASN HD21 H 1 7.006 0.000 . 1 . . . . A 171 ASN HD21 . 34077 2 512 . 1 1 171 171 ASN CA C 13 53.019 0.000 . 1 . . . . A 171 ASN CA . 34077 2 513 . 1 1 171 171 ASN N N 15 127.111 0.036 . 1 . . . . A 171 ASN N . 34077 2 514 . 1 1 171 171 ASN ND2 N 15 111.385 0.000 . 1 . . . . A 171 ASN ND2 . 34077 2 515 . 1 1 172 172 GLU CA C 13 59.407 0.000 . 1 . . . . A 172 GLU CA . 34077 2 516 . 1 1 173 173 GLU H H 1 8.113 0.005 . 1 . . . . A 173 GLU H . 34077 2 517 . 1 1 173 173 GLU CA C 13 56.697 0.013 . 1 . . . . A 173 GLU CA . 34077 2 518 . 1 1 173 173 GLU N N 15 116.483 0.029 . 1 . . . . A 173 GLU N . 34077 2 519 . 1 1 174 174 CYS H H 1 7.845 0.007 . 1 . . . . A 174 CYS H . 34077 2 520 . 1 1 174 174 CYS CA C 13 58.647 0.010 . 1 . . . . A 174 CYS CA . 34077 2 521 . 1 1 174 174 CYS N N 15 120.759 0.025 . 1 . . . . A 174 CYS N . 34077 2 522 . 1 1 175 175 ASP H H 1 8.453 0.005 . 1 . . . . A 175 ASP H . 34077 2 523 . 1 1 175 175 ASP N N 15 126.226 0.032 . 1 . . . . A 175 ASP N . 34077 2 524 . 1 1 176 176 HIS H H 1 7.434 0.009 . 1 . . . . A 176 HIS H . 34077 2 525 . 1 1 176 176 HIS CA C 13 55.293 0.007 . 1 . . . . A 176 HIS CA . 34077 2 526 . 1 1 176 176 HIS N N 15 114.748 0.047 . 1 . . . . A 176 HIS N . 34077 2 527 . 1 1 177 177 THR H H 1 7.698 0.005 . 1 . . . . A 177 THR H . 34077 2 528 . 1 1 177 177 THR CA C 13 61.697 0.022 . 1 . . . . A 177 THR CA . 34077 2 529 . 1 1 177 177 THR N N 15 115.468 0.069 . 1 . . . . A 177 THR N . 34077 2 530 . 1 1 178 178 GLN H H 1 8.913 0.005 . 1 . . . . A 178 GLN H . 34077 2 531 . 1 1 178 178 GLN CA C 13 54.137 0.027 . 1 . . . . A 178 GLN CA . 34077 2 532 . 1 1 178 178 GLN N N 15 123.575 0.050 . 1 . . . . A 178 GLN N . 34077 2 533 . 1 1 179 179 PHE H H 1 9.485 0.006 . 1 . . . . A 179 PHE H . 34077 2 534 . 1 1 179 179 PHE CA C 13 55.206 0.001 . 1 . . . . A 179 PHE CA . 34077 2 535 . 1 1 179 179 PHE N N 15 120.937 0.033 . 1 . . . . A 179 PHE N . 34077 2 536 . 1 1 180 180 LEU H H 1 9.210 0.006 . 1 . . . . A 180 LEU H . 34077 2 537 . 1 1 180 180 LEU CA C 13 54.339 0.011 . 1 . . . . A 180 LEU CA . 34077 2 538 . 1 1 180 180 LEU N N 15 123.669 0.043 . 1 . . . . A 180 LEU N . 34077 2 539 . 1 1 181 181 ILE H H 1 9.646 0.004 . 1 . . . . A 181 ILE H . 34077 2 540 . 1 1 181 181 ILE CA C 13 60.783 0.014 . 1 . . . . A 181 ILE CA . 34077 2 541 . 1 1 181 181 ILE N N 15 128.960 0.029 . 1 . . . . A 181 ILE N . 34077 2 542 . 1 1 182 182 GLU H H 1 8.555 0.000 . 1 . . . . A 182 GLU H . 34077 2 543 . 1 1 182 182 GLU CA C 13 54.676 0.006 . 1 . . . . A 182 GLU CA . 34077 2 544 . 1 1 182 182 GLU N N 15 125.278 0.033 . 1 . . . . A 182 GLU N . 34077 2 545 . 1 1 183 183 GLU H H 1 9.023 0.004 . 1 . . . . A 183 GLU H . 34077 2 546 . 1 1 183 183 GLU CA C 13 57.132 0.008 . 1 . . . . A 183 GLU CA . 34077 2 547 . 1 1 183 183 GLU N N 15 124.111 0.018 . 1 . . . . A 183 GLU N . 34077 2 548 . 1 1 184 184 LYS H H 1 8.403 0.000 . 1 . . . . A 184 LYS H . 34077 2 549 . 1 1 184 184 LYS CA C 13 56.488 0.074 . 1 . . . . A 184 LYS CA . 34077 2 550 . 1 1 184 184 LYS N N 15 124.582 0.000 . 1 . . . . A 184 LYS N . 34077 2 551 . 1 1 185 185 GLU H H 1 8.518 0.002 . 1 . . . . A 185 GLU H . 34077 2 552 . 1 1 185 185 GLU CA C 13 56.562 0.000 . 1 . . . . A 185 GLU CA . 34077 2 553 . 1 1 185 185 GLU N N 15 122.326 0.000 . 1 . . . . A 185 GLU N . 34077 2 554 . 1 1 186 186 SER H H 1 8.424 0.007 . 1 . . . . A 186 SER H . 34077 2 555 . 1 1 186 186 SER N N 15 117.621 0.067 . 1 . . . . A 186 SER N . 34077 2 556 . 1 1 188 188 GLU H H 1 8.398 0.002 . 1 . . . . A 188 GLU H . 34077 2 557 . 1 1 188 188 GLU N N 15 121.019 0.020 . 1 . . . . A 188 GLU N . 34077 2 stop_ save_ save_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 34077 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC' . . . 34077 3 2 '2D 1H-15N HSQC' . . . 34077 3 3 '3D HNCO' . . . 34077 3 4 '3D (H)CCH-TOCSY' . . . 34077 3 5 '3D HNCA' . . . 34077 3 6 '3D 1H-13C NOESY' . . . 34077 3 7 '3D 1H-15N NOESY' . . . 34077 3 8 '3D CBCA(CO)NH' . . . 34077 3 9 '3D HNCACB' . . . 34077 3 10 '3D HN(CA)CO' . . . 34077 3 11 H[C]_H{[c(0)]+[n(0)]}.through-space . . . 34077 3 12 H[c(0)]_H[c(0)].through-space . . . 34077 3 13 H_H{[n(0)]+[c(0)]}.through-space . . . 34077 3 14 H[c(0)]_H[c(0)].relayed . . . 34077 3 15 '3D HN(COCA)HA' . . . 34077 3 16 '2D 1H-1H NOESY' . . . 34077 3 17 '2D 1H-15N HSQC' . . . 34077 3 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.148 0.018 . 1 . . . . A 1 MET HA . 34077 3 2 . 1 1 1 1 MET HE1 H 1 0.795 0.002 . 1 . . . . A 1 MET HE1 . 34077 3 3 . 1 1 1 1 MET HE2 H 1 0.795 0.002 . 1 . . . . A 1 MET HE2 . 34077 3 4 . 1 1 1 1 MET HE3 H 1 0.795 0.002 . 1 . . . . A 1 MET HE3 . 34077 3 5 . 1 1 1 1 MET C C 13 174.033 0.000 . 1 . . . . A 1 MET C . 34077 3 6 . 1 1 1 1 MET CE C 13 16.846 0.035 . 1 . . . . A 1 MET CE . 34077 3 7 . 1 1 2 2 TYR H H 1 9.844 0.007 . 1 . . . . A 2 TYR H . 34077 3 8 . 1 1 2 2 TYR HA H 1 4.202 0.004 . 1 . . . . A 2 TYR HA . 34077 3 9 . 1 1 2 2 TYR HD1 H 1 7.104 0.005 . 1 . . . . A 2 TYR HD1 . 34077 3 10 . 1 1 2 2 TYR HD2 H 1 7.104 0.005 . 1 . . . . A 2 TYR HD2 . 34077 3 11 . 1 1 2 2 TYR C C 13 179.646 0.000 . 1 . . . . A 2 TYR C . 34077 3 12 . 1 1 2 2 TYR CA C 13 61.965 0.098 . 1 . . . . A 2 TYR CA . 34077 3 13 . 1 1 2 2 TYR CB C 13 40.461 0.064 . 1 . . . . A 2 TYR CB . 34077 3 14 . 1 1 2 2 TYR N N 15 124.544 0.023 . 1 . . . . A 2 TYR N . 34077 3 15 . 1 1 3 3 GLY H H 1 9.586 0.006 . 1 . . . . A 3 GLY H . 34077 3 16 . 1 1 3 3 GLY HA2 H 1 3.891 0.008 . 2 . . . . A 3 GLY HA2 . 34077 3 17 . 1 1 3 3 GLY HA3 H 1 5.051 0.012 . 2 . . . . A 3 GLY HA3 . 34077 3 18 . 1 1 3 3 GLY C C 13 174.218 0.000 . 1 . . . . A 3 GLY C . 34077 3 19 . 1 1 3 3 GLY CA C 13 47.990 0.072 . 1 . . . . A 3 GLY CA . 34077 3 20 . 1 1 3 3 GLY N N 15 109.723 0.073 . 1 . . . . A 3 GLY N . 34077 3 21 . 1 1 4 4 PHE H H 1 7.237 0.013 . 1 . . . . A 4 PHE H . 34077 3 22 . 1 1 4 4 PHE HA H 1 4.228 0.003 . 1 . . . . A 4 PHE HA . 34077 3 23 . 1 1 4 4 PHE HB2 H 1 2.615 0.006 . 2 . . . . A 4 PHE HB2 . 34077 3 24 . 1 1 4 4 PHE HB3 H 1 2.357 0.000 . 2 . . . . A 4 PHE HB3 . 34077 3 25 . 1 1 4 4 PHE C C 13 175.684 0.000 . 1 . . . . A 4 PHE C . 34077 3 26 . 1 1 4 4 PHE CA C 13 58.866 0.048 . 1 . . . . A 4 PHE CA . 34077 3 27 . 1 1 4 4 PHE N N 15 114.727 0.017 . 1 . . . . A 4 PHE N . 34077 3 28 . 1 1 5 5 VAL H H 1 7.550 0.006 . 1 . . . . A 5 VAL H . 34077 3 29 . 1 1 5 5 VAL HA H 1 3.892 0.002 . 1 . . . . A 5 VAL HA . 34077 3 30 . 1 1 5 5 VAL HB H 1 1.987 0.002 . 1 . . . . A 5 VAL HB . 34077 3 31 . 1 1 5 5 VAL HG11 H 1 0.989 0.010 . 2 . . . . A 5 VAL HG11 . 34077 3 32 . 1 1 5 5 VAL HG12 H 1 0.989 0.010 . 2 . . . . A 5 VAL HG12 . 34077 3 33 . 1 1 5 5 VAL HG13 H 1 0.989 0.010 . 2 . . . . A 5 VAL HG13 . 34077 3 34 . 1 1 5 5 VAL HG21 H 1 0.679 0.009 . 2 . . . . A 5 VAL HG21 . 34077 3 35 . 1 1 5 5 VAL HG22 H 1 0.679 0.009 . 2 . . . . A 5 VAL HG22 . 34077 3 36 . 1 1 5 5 VAL HG23 H 1 0.679 0.009 . 2 . . . . A 5 VAL HG23 . 34077 3 37 . 1 1 5 5 VAL C C 13 176.517 0.000 . 1 . . . . A 5 VAL C . 34077 3 38 . 1 1 5 5 VAL CA C 13 67.109 0.062 . 1 . . . . A 5 VAL CA . 34077 3 39 . 1 1 5 5 VAL CB C 13 30.926 0.063 . 1 . . . . A 5 VAL CB . 34077 3 40 . 1 1 5 5 VAL CG1 C 13 24.656 0.027 . 2 . . . . A 5 VAL CG1 . 34077 3 41 . 1 1 5 5 VAL CG2 C 13 19.958 0.044 . 2 . . . . A 5 VAL CG2 . 34077 3 42 . 1 1 5 5 VAL N N 15 119.006 0.059 . 1 . . . . A 5 VAL N . 34077 3 43 . 1 1 6 6 ASN H H 1 6.774 0.009 . 1 . . . . A 6 ASN H . 34077 3 44 . 1 1 6 6 ASN HA H 1 3.996 0.005 . 1 . . . . A 6 ASN HA . 34077 3 45 . 1 1 6 6 ASN C C 13 177.087 0.012 . 1 . . . . A 6 ASN C . 34077 3 46 . 1 1 6 6 ASN CA C 13 55.341 0.058 . 1 . . . . A 6 ASN CA . 34077 3 47 . 1 1 6 6 ASN CB C 13 35.870 0.056 . 1 . . . . A 6 ASN CB . 34077 3 48 . 1 1 6 6 ASN N N 15 115.951 0.045 . 1 . . . . A 6 ASN N . 34077 3 49 . 1 1 7 7 HIS H H 1 8.820 0.006 . 1 . . . . A 7 HIS H . 34077 3 50 . 1 1 7 7 HIS HA H 1 4.456 0.006 . 1 . . . . A 7 HIS HA . 34077 3 51 . 1 1 7 7 HIS HB2 H 1 2.607 0.002 . 2 . . . . A 7 HIS HB2 . 34077 3 52 . 1 1 7 7 HIS HB3 H 1 2.647 0.002 . 2 . . . . A 7 HIS HB3 . 34077 3 53 . 1 1 7 7 HIS HD2 H 1 6.097 0.002 . 1 . . . . A 7 HIS HD2 . 34077 3 54 . 1 1 7 7 HIS C C 13 175.456 0.000 . 1 . . . . A 7 HIS C . 34077 3 55 . 1 1 7 7 HIS CA C 13 58.263 0.080 . 1 . . . . A 7 HIS CA . 34077 3 56 . 1 1 7 7 HIS CB C 13 28.865 0.026 . 1 . . . . A 7 HIS CB . 34077 3 57 . 1 1 7 7 HIS CD2 C 13 121.719 0.000 . 1 . . . . A 7 HIS CD2 . 34077 3 58 . 1 1 7 7 HIS N N 15 117.060 0.023 . 1 . . . . A 7 HIS N . 34077 3 59 . 1 1 8 8 ALA H H 1 7.405 0.014 . 1 . . . . A 8 ALA H . 34077 3 60 . 1 1 8 8 ALA HA H 1 3.439 0.007 . 1 . . . . A 8 ALA HA . 34077 3 61 . 1 1 8 8 ALA HB1 H 1 1.523 0.010 . 1 . . . . A 8 ALA HB1 . 34077 3 62 . 1 1 8 8 ALA HB2 H 1 1.523 0.010 . 1 . . . . A 8 ALA HB2 . 34077 3 63 . 1 1 8 8 ALA HB3 H 1 1.523 0.010 . 1 . . . . A 8 ALA HB3 . 34077 3 64 . 1 1 8 8 ALA C C 13 177.891 0.012 . 1 . . . . A 8 ALA C . 34077 3 65 . 1 1 8 8 ALA CA C 13 55.044 0.067 . 1 . . . . A 8 ALA CA . 34077 3 66 . 1 1 8 8 ALA CB C 13 17.026 0.053 . 1 . . . . A 8 ALA CB . 34077 3 67 . 1 1 8 8 ALA N N 15 119.576 0.036 . 1 . . . . A 8 ALA N . 34077 3 68 . 1 1 9 9 LEU H H 1 6.942 0.018 . 1 . . . . A 9 LEU H . 34077 3 69 . 1 1 9 9 LEU HA H 1 3.580 0.005 . 1 . . . . A 9 LEU HA . 34077 3 70 . 1 1 9 9 LEU HB2 H 1 1.474 0.016 . 1 . . . . A 9 LEU HB2 . 34077 3 71 . 1 1 9 9 LEU HD11 H 1 0.526 0.016 . 2 . . . . A 9 LEU HD11 . 34077 3 72 . 1 1 9 9 LEU HD12 H 1 0.526 0.016 . 2 . . . . A 9 LEU HD12 . 34077 3 73 . 1 1 9 9 LEU HD13 H 1 0.526 0.016 . 2 . . . . A 9 LEU HD13 . 34077 3 74 . 1 1 9 9 LEU HD21 H 1 0.359 0.010 . 2 . . . . A 9 LEU HD21 . 34077 3 75 . 1 1 9 9 LEU HD22 H 1 0.359 0.010 . 2 . . . . A 9 LEU HD22 . 34077 3 76 . 1 1 9 9 LEU HD23 H 1 0.359 0.010 . 2 . . . . A 9 LEU HD23 . 34077 3 77 . 1 1 9 9 LEU C C 13 176.389 0.000 . 1 . . . . A 9 LEU C . 34077 3 78 . 1 1 9 9 LEU CA C 13 57.515 0.032 . 1 . . . . A 9 LEU CA . 34077 3 79 . 1 1 9 9 LEU CB C 13 40.171 0.096 . 1 . . . . A 9 LEU CB . 34077 3 80 . 1 1 9 9 LEU CD1 C 13 26.412 0.047 . 2 . . . . A 9 LEU CD1 . 34077 3 81 . 1 1 9 9 LEU CD2 C 13 22.379 0.044 . 2 . . . . A 9 LEU CD2 . 34077 3 82 . 1 1 9 9 LEU N N 15 119.658 0.022 . 1 . . . . A 9 LEU N . 34077 3 83 . 1 1 10 10 GLU H H 1 7.152 0.006 . 1 . . . . A 10 GLU H . 34077 3 84 . 1 1 10 10 GLU HA H 1 1.546 0.014 . 1 . . . . A 10 GLU HA . 34077 3 85 . 1 1 10 10 GLU HG2 H 1 1.405 0.006 . 2 . . . . A 10 GLU HG2 . 34077 3 86 . 1 1 10 10 GLU HG3 H 1 0.805 0.014 . 2 . . . . A 10 GLU HG3 . 34077 3 87 . 1 1 10 10 GLU C C 13 177.263 0.005 . 1 . . . . A 10 GLU C . 34077 3 88 . 1 1 10 10 GLU CA C 13 58.579 0.055 . 1 . . . . A 10 GLU CA . 34077 3 89 . 1 1 10 10 GLU CB C 13 29.873 0.026 . 1 . . . . A 10 GLU CB . 34077 3 90 . 1 1 10 10 GLU CG C 13 35.034 0.021 . 1 . . . . A 10 GLU CG . 34077 3 91 . 1 1 10 10 GLU N N 15 120.271 0.068 . 1 . . . . A 10 GLU N . 34077 3 92 . 1 1 11 11 LEU H H 1 7.573 0.007 . 1 . . . . A 11 LEU H . 34077 3 93 . 1 1 11 11 LEU HA H 1 3.478 0.011 . 1 . . . . A 11 LEU HA . 34077 3 94 . 1 1 11 11 LEU HB2 H 1 1.402 0.010 . 2 . . . . A 11 LEU HB2 . 34077 3 95 . 1 1 11 11 LEU HB3 H 1 0.841 0.012 . 2 . . . . A 11 LEU HB3 . 34077 3 96 . 1 1 11 11 LEU HD11 H 1 0.272 0.008 . 2 . . . . A 11 LEU HD11 . 34077 3 97 . 1 1 11 11 LEU HD12 H 1 0.272 0.008 . 2 . . . . A 11 LEU HD12 . 34077 3 98 . 1 1 11 11 LEU HD13 H 1 0.272 0.008 . 2 . . . . A 11 LEU HD13 . 34077 3 99 . 1 1 11 11 LEU HD21 H 1 0.497 0.005 . 2 . . . . A 11 LEU HD21 . 34077 3 100 . 1 1 11 11 LEU HD22 H 1 0.497 0.005 . 2 . . . . A 11 LEU HD22 . 34077 3 101 . 1 1 11 11 LEU HD23 H 1 0.497 0.005 . 2 . . . . A 11 LEU HD23 . 34077 3 102 . 1 1 11 11 LEU C C 13 178.675 0.063 . 1 . . . . A 11 LEU C . 34077 3 103 . 1 1 11 11 LEU CA C 13 57.517 0.029 . 1 . . . . A 11 LEU CA . 34077 3 104 . 1 1 11 11 LEU CB C 13 42.486 0.088 . 1 . . . . A 11 LEU CB . 34077 3 105 . 1 1 11 11 LEU CD1 C 13 25.301 0.069 . 2 . . . . A 11 LEU CD1 . 34077 3 106 . 1 1 11 11 LEU CD2 C 13 22.042 0.052 . 2 . . . . A 11 LEU CD2 . 34077 3 107 . 1 1 11 11 LEU N N 15 115.801 0.030 . 1 . . . . A 11 LEU N . 34077 3 108 . 1 1 12 12 LEU H H 1 7.749 0.005 . 1 . . . . A 12 LEU H . 34077 3 109 . 1 1 12 12 LEU HA H 1 3.796 0.006 . 1 . . . . A 12 LEU HA . 34077 3 110 . 1 1 12 12 LEU HD11 H 1 0.871 0.009 . 1 . . . . A 12 LEU HD11 . 34077 3 111 . 1 1 12 12 LEU HD12 H 1 0.871 0.009 . 1 . . . . A 12 LEU HD12 . 34077 3 112 . 1 1 12 12 LEU HD13 H 1 0.871 0.009 . 1 . . . . A 12 LEU HD13 . 34077 3 113 . 1 1 12 12 LEU C C 13 178.610 0.016 . 1 . . . . A 12 LEU C . 34077 3 114 . 1 1 12 12 LEU CA C 13 58.587 0.093 . 1 . . . . A 12 LEU CA . 34077 3 115 . 1 1 12 12 LEU CB C 13 41.256 0.060 . 1 . . . . A 12 LEU CB . 34077 3 116 . 1 1 12 12 LEU CG C 13 27.152 0.004 . 1 . . . . A 12 LEU CG . 34077 3 117 . 1 1 12 12 LEU CD1 C 13 25.029 0.030 . 1 . . . . A 12 LEU CD1 . 34077 3 118 . 1 1 12 12 LEU N N 15 118.735 0.015 . 1 . . . . A 12 LEU N . 34077 3 119 . 1 1 13 13 VAL H H 1 7.844 0.008 . 1 . . . . A 13 VAL H . 34077 3 120 . 1 1 13 13 VAL HA H 1 3.805 0.004 . 1 . . . . A 13 VAL HA . 34077 3 121 . 1 1 13 13 VAL HG11 H 1 0.995 0.004 . 1 . . . . A 13 VAL HG11 . 34077 3 122 . 1 1 13 13 VAL HG12 H 1 0.995 0.004 . 1 . . . . A 13 VAL HG12 . 34077 3 123 . 1 1 13 13 VAL HG13 H 1 0.995 0.004 . 1 . . . . A 13 VAL HG13 . 34077 3 124 . 1 1 13 13 VAL C C 13 178.632 0.021 . 1 . . . . A 13 VAL C . 34077 3 125 . 1 1 13 13 VAL CA C 13 66.779 0.084 . 1 . . . . A 13 VAL CA . 34077 3 126 . 1 1 13 13 VAL CB C 13 31.165 0.009 . 1 . . . . A 13 VAL CB . 34077 3 127 . 1 1 13 13 VAL CG1 C 13 21.825 0.002 . 2 . . . . A 13 VAL CG1 . 34077 3 128 . 1 1 13 13 VAL CG2 C 13 22.991 0.012 . 2 . . . . A 13 VAL CG2 . 34077 3 129 . 1 1 13 13 VAL N N 15 116.995 0.045 . 1 . . . . A 13 VAL N . 34077 3 130 . 1 1 14 14 ILE H H 1 8.852 0.010 . 1 . . . . A 14 ILE H . 34077 3 131 . 1 1 14 14 ILE HA H 1 3.226 0.008 . 1 . . . . A 14 ILE HA . 34077 3 132 . 1 1 14 14 ILE HB H 1 1.539 0.005 . 1 . . . . A 14 ILE HB . 34077 3 133 . 1 1 14 14 ILE HG12 H 1 0.712 0.007 . 2 . . . . A 14 ILE HG12 . 34077 3 134 . 1 1 14 14 ILE HG13 H 1 1.411 0.010 . 2 . . . . A 14 ILE HG13 . 34077 3 135 . 1 1 14 14 ILE HG21 H 1 0.718 0.005 . 1 . . . . A 14 ILE HG21 . 34077 3 136 . 1 1 14 14 ILE HG22 H 1 0.718 0.005 . 1 . . . . A 14 ILE HG22 . 34077 3 137 . 1 1 14 14 ILE HG23 H 1 0.718 0.005 . 1 . . . . A 14 ILE HG23 . 34077 3 138 . 1 1 14 14 ILE HD11 H 1 0.601 0.004 . 1 . . . . A 14 ILE HD11 . 34077 3 139 . 1 1 14 14 ILE HD12 H 1 0.601 0.004 . 1 . . . . A 14 ILE HD12 . 34077 3 140 . 1 1 14 14 ILE HD13 H 1 0.601 0.004 . 1 . . . . A 14 ILE HD13 . 34077 3 141 . 1 1 14 14 ILE C C 13 178.548 0.000 . 1 . . . . A 14 ILE C . 34077 3 142 . 1 1 14 14 ILE CA C 13 66.561 0.074 . 1 . . . . A 14 ILE CA . 34077 3 143 . 1 1 14 14 ILE CB C 13 37.616 0.115 . 1 . . . . A 14 ILE CB . 34077 3 144 . 1 1 14 14 ILE CG1 C 13 29.738 0.037 . 1 . . . . A 14 ILE CG1 . 34077 3 145 . 1 1 14 14 ILE CG2 C 13 17.124 0.029 . 1 . . . . A 14 ILE CG2 . 34077 3 146 . 1 1 14 14 ILE CD1 C 13 13.731 0.010 . 1 . . . . A 14 ILE CD1 . 34077 3 147 . 1 1 14 14 ILE N N 15 120.749 0.032 . 1 . . . . A 14 ILE N . 34077 3 148 . 1 1 15 15 ARG H H 1 8.452 0.006 . 1 . . . . A 15 ARG H . 34077 3 149 . 1 1 15 15 ARG HA H 1 3.938 0.006 . 1 . . . . A 15 ARG HA . 34077 3 150 . 1 1 15 15 ARG HD2 H 1 3.054 0.001 . 1 . . . . A 15 ARG HD2 . 34077 3 151 . 1 1 15 15 ARG C C 13 177.805 0.032 . 1 . . . . A 15 ARG C . 34077 3 152 . 1 1 15 15 ARG CA C 13 59.625 0.045 . 1 . . . . A 15 ARG CA . 34077 3 153 . 1 1 15 15 ARG CB C 13 30.065 0.065 . 1 . . . . A 15 ARG CB . 34077 3 154 . 1 1 15 15 ARG CD C 13 43.229 0.065 . 1 . . . . A 15 ARG CD . 34077 3 155 . 1 1 15 15 ARG N N 15 115.564 0.057 . 1 . . . . A 15 ARG N . 34077 3 156 . 1 1 16 16 ASN H H 1 7.410 0.004 . 1 . . . . A 16 ASN H . 34077 3 157 . 1 1 16 16 ASN HA H 1 4.449 0.003 . 1 . . . . A 16 ASN HA . 34077 3 158 . 1 1 16 16 ASN HB2 H 1 2.561 0.005 . 1 . . . . A 16 ASN HB2 . 34077 3 159 . 1 1 16 16 ASN HD21 H 1 6.910 0.003 . 1 . . . . A 16 ASN HD21 . 34077 3 160 . 1 1 16 16 ASN HD22 H 1 7.496 0.002 . 1 . . . . A 16 ASN HD22 . 34077 3 161 . 1 1 16 16 ASN C C 13 175.070 0.008 . 1 . . . . A 16 ASN C . 34077 3 162 . 1 1 16 16 ASN CA C 13 54.906 0.055 . 1 . . . . A 16 ASN CA . 34077 3 163 . 1 1 16 16 ASN CB C 13 39.630 0.066 . 1 . . . . A 16 ASN CB . 34077 3 164 . 1 1 16 16 ASN CG C 13 176.758 0.012 . 1 . . . . A 16 ASN CG . 34077 3 165 . 1 1 16 16 ASN N N 15 113.649 0.063 . 1 . . . . A 16 ASN N . 34077 3 166 . 1 1 16 16 ASN ND2 N 15 111.735 0.050 . 1 . . . . A 16 ASN ND2 . 34077 3 167 . 1 1 17 17 TYR H H 1 8.462 0.004 . 1 . . . . A 17 TYR H . 34077 3 168 . 1 1 17 17 TYR HA H 1 4.659 0.005 . 1 . . . . A 17 TYR HA . 34077 3 169 . 1 1 17 17 TYR HB2 H 1 3.156 0.015 . 2 . . . . A 17 TYR HB2 . 34077 3 170 . 1 1 17 17 TYR HB3 H 1 2.904 0.002 . 2 . . . . A 17 TYR HB3 . 34077 3 171 . 1 1 17 17 TYR HD1 H 1 7.198 0.017 . 1 . . . . A 17 TYR HD1 . 34077 3 172 . 1 1 17 17 TYR HD2 H 1 7.198 0.017 . 1 . . . . A 17 TYR HD2 . 34077 3 173 . 1 1 17 17 TYR HE1 H 1 6.596 0.009 . 1 . . . . A 17 TYR HE1 . 34077 3 174 . 1 1 17 17 TYR HE2 H 1 6.596 0.009 . 1 . . . . A 17 TYR HE2 . 34077 3 175 . 1 1 17 17 TYR C C 13 175.877 0.010 . 1 . . . . A 17 TYR C . 34077 3 176 . 1 1 17 17 TYR CA C 13 58.995 0.040 . 1 . . . . A 17 TYR CA . 34077 3 177 . 1 1 17 17 TYR CB C 13 39.725 0.035 . 1 . . . . A 17 TYR CB . 34077 3 178 . 1 1 17 17 TYR CE1 C 13 117.912 0.000 . 1 . . . . A 17 TYR CE1 . 34077 3 179 . 1 1 17 17 TYR CE2 C 13 117.912 0.000 . 1 . . . . A 17 TYR CE2 . 34077 3 180 . 1 1 17 17 TYR N N 15 117.275 0.065 . 1 . . . . A 17 TYR N . 34077 3 181 . 1 1 18 18 GLY H H 1 7.978 0.004 . 1 . . . . A 18 GLY H . 34077 3 182 . 1 1 18 18 GLY HA2 H 1 4.222 0.002 . 2 . . . . A 18 GLY HA2 . 34077 3 183 . 1 1 18 18 GLY HA3 H 1 4.736 0.000 . 2 . . . . A 18 GLY HA3 . 34077 3 184 . 1 1 18 18 GLY C C 13 172.398 0.000 . 1 . . . . A 18 GLY C . 34077 3 185 . 1 1 18 18 GLY CA C 13 44.843 0.012 . 1 . . . . A 18 GLY CA . 34077 3 186 . 1 1 18 18 GLY N N 15 109.470 0.043 . 1 . . . . A 18 GLY N . 34077 3 187 . 1 1 19 19 PRO HA H 1 4.341 0.006 . 1 . . . . A 19 PRO HA . 34077 3 188 . 1 1 19 19 PRO HB2 H 1 2.338 0.007 . 2 . . . . A 19 PRO HB2 . 34077 3 189 . 1 1 19 19 PRO HB3 H 1 2.136 0.010 . 2 . . . . A 19 PRO HB3 . 34077 3 190 . 1 1 19 19 PRO HG2 H 1 2.159 0.003 . 2 . . . . A 19 PRO HG2 . 34077 3 191 . 1 1 19 19 PRO HG3 H 1 2.106 0.008 . 2 . . . . A 19 PRO HG3 . 34077 3 192 . 1 1 19 19 PRO HD2 H 1 3.944 0.008 . 2 . . . . A 19 PRO HD2 . 34077 3 193 . 1 1 19 19 PRO HD3 H 1 3.632 0.009 . 2 . . . . A 19 PRO HD3 . 34077 3 194 . 1 1 19 19 PRO C C 13 179.082 0.000 . 1 . . . . A 19 PRO C . 34077 3 195 . 1 1 19 19 PRO CA C 13 65.234 0.049 . 1 . . . . A 19 PRO CA . 34077 3 196 . 1 1 19 19 PRO CB C 13 31.768 0.019 . 1 . . . . A 19 PRO CB . 34077 3 197 . 1 1 19 19 PRO CG C 13 27.399 0.067 . 1 . . . . A 19 PRO CG . 34077 3 198 . 1 1 19 19 PRO CD C 13 50.227 0.046 . 1 . . . . A 19 PRO CD . 34077 3 199 . 1 1 20 20 GLU H H 1 9.182 0.004 . 1 . . . . A 20 GLU H . 34077 3 200 . 1 1 20 20 GLU HA H 1 4.040 0.006 . 1 . . . . A 20 GLU HA . 34077 3 201 . 1 1 20 20 GLU HB2 H 1 2.025 0.010 . 2 . . . . A 20 GLU HB2 . 34077 3 202 . 1 1 20 20 GLU HB3 H 1 2.016 0.003 . 2 . . . . A 20 GLU HB3 . 34077 3 203 . 1 1 20 20 GLU HG2 H 1 2.305 0.000 . 1 . . . . A 20 GLU HG2 . 34077 3 204 . 1 1 20 20 GLU C C 13 178.747 0.048 . 1 . . . . A 20 GLU C . 34077 3 205 . 1 1 20 20 GLU CA C 13 60.236 0.034 . 1 . . . . A 20 GLU CA . 34077 3 206 . 1 1 20 20 GLU CB C 13 28.008 0.036 . 1 . . . . A 20 GLU CB . 34077 3 207 . 1 1 20 20 GLU CG C 13 36.564 0.000 . 1 . . . . A 20 GLU CG . 34077 3 208 . 1 1 20 20 GLU N N 15 120.822 0.028 . 1 . . . . A 20 GLU N . 34077 3 209 . 1 1 21 21 VAL H H 1 7.407 0.005 . 1 . . . . A 21 VAL H . 34077 3 210 . 1 1 21 21 VAL HA H 1 3.791 0.006 . 1 . . . . A 21 VAL HA . 34077 3 211 . 1 1 21 21 VAL HB H 1 1.900 0.009 . 1 . . . . A 21 VAL HB . 34077 3 212 . 1 1 21 21 VAL HG11 H 1 0.995 0.009 . 2 . . . . A 21 VAL HG11 . 34077 3 213 . 1 1 21 21 VAL HG12 H 1 0.995 0.009 . 2 . . . . A 21 VAL HG12 . 34077 3 214 . 1 1 21 21 VAL HG13 H 1 0.995 0.009 . 2 . . . . A 21 VAL HG13 . 34077 3 215 . 1 1 21 21 VAL HG21 H 1 0.738 0.012 . 2 . . . . A 21 VAL HG21 . 34077 3 216 . 1 1 21 21 VAL HG22 H 1 0.738 0.012 . 2 . . . . A 21 VAL HG22 . 34077 3 217 . 1 1 21 21 VAL HG23 H 1 0.738 0.012 . 2 . . . . A 21 VAL HG23 . 34077 3 218 . 1 1 21 21 VAL C C 13 178.131 0.016 . 1 . . . . A 21 VAL C . 34077 3 219 . 1 1 21 21 VAL CA C 13 65.527 0.079 . 1 . . . . A 21 VAL CA . 34077 3 220 . 1 1 21 21 VAL CB C 13 31.443 0.100 . 1 . . . . A 21 VAL CB . 34077 3 221 . 1 1 21 21 VAL CG1 C 13 22.976 0.087 . 2 . . . . A 21 VAL CG1 . 34077 3 222 . 1 1 21 21 VAL CG2 C 13 21.729 0.050 . 2 . . . . A 21 VAL CG2 . 34077 3 223 . 1 1 21 21 VAL N N 15 120.473 0.044 . 1 . . . . A 21 VAL N . 34077 3 224 . 1 1 22 22 TRP H H 1 7.230 0.006 . 1 . . . . A 22 TRP H . 34077 3 225 . 1 1 22 22 TRP HA H 1 4.662 0.009 . 1 . . . . A 22 TRP HA . 34077 3 226 . 1 1 22 22 TRP HB2 H 1 3.410 0.003 . 2 . . . . A 22 TRP HB2 . 34077 3 227 . 1 1 22 22 TRP HB3 H 1 3.050 0.004 . 2 . . . . A 22 TRP HB3 . 34077 3 228 . 1 1 22 22 TRP HD1 H 1 7.306 0.004 . 1 . . . . A 22 TRP HD1 . 34077 3 229 . 1 1 22 22 TRP HE1 H 1 10.018 0.004 . 1 . . . . A 22 TRP HE1 . 34077 3 230 . 1 1 22 22 TRP HE3 H 1 6.568 0.009 . 1 . . . . A 22 TRP HE3 . 34077 3 231 . 1 1 22 22 TRP HZ2 H 1 7.365 0.005 . 1 . . . . A 22 TRP HZ2 . 34077 3 232 . 1 1 22 22 TRP HH2 H 1 6.797 0.004 . 1 . . . . A 22 TRP HH2 . 34077 3 233 . 1 1 22 22 TRP C C 13 176.743 0.010 . 1 . . . . A 22 TRP C . 34077 3 234 . 1 1 22 22 TRP CA C 13 59.362 0.044 . 1 . . . . A 22 TRP CA . 34077 3 235 . 1 1 22 22 TRP CB C 13 29.997 0.100 . 1 . . . . A 22 TRP CB . 34077 3 236 . 1 1 22 22 TRP CD1 C 13 127.763 0.000 . 1 . . . . A 22 TRP CD1 . 34077 3 237 . 1 1 22 22 TRP CE3 C 13 119.876 0.000 . 1 . . . . A 22 TRP CE3 . 34077 3 238 . 1 1 22 22 TRP CZ2 C 13 114.501 0.000 . 1 . . . . A 22 TRP CZ2 . 34077 3 239 . 1 1 22 22 TRP CH2 C 13 123.174 0.000 . 1 . . . . A 22 TRP CH2 . 34077 3 240 . 1 1 22 22 TRP N N 15 119.302 0.064 . 1 . . . . A 22 TRP N . 34077 3 241 . 1 1 22 22 TRP NE1 N 15 128.393 0.080 . 1 . . . . A 22 TRP NE1 . 34077 3 242 . 1 1 23 23 GLU H H 1 7.829 0.004 . 1 . . . . A 23 GLU H . 34077 3 243 . 1 1 23 23 GLU HA H 1 3.572 0.006 . 1 . . . . A 23 GLU HA . 34077 3 244 . 1 1 23 23 GLU HB2 H 1 2.086 0.011 . 2 . . . . A 23 GLU HB2 . 34077 3 245 . 1 1 23 23 GLU HB3 H 1 2.047 0.019 . 2 . . . . A 23 GLU HB3 . 34077 3 246 . 1 1 23 23 GLU HG2 H 1 2.362 0.003 . 2 . . . . A 23 GLU HG2 . 34077 3 247 . 1 1 23 23 GLU HG3 H 1 2.349 0.009 . 2 . . . . A 23 GLU HG3 . 34077 3 248 . 1 1 23 23 GLU C C 13 179.148 0.002 . 1 . . . . A 23 GLU C . 34077 3 249 . 1 1 23 23 GLU CA C 13 59.466 0.026 . 1 . . . . A 23 GLU CA . 34077 3 250 . 1 1 23 23 GLU CB C 13 28.309 0.001 . 1 . . . . A 23 GLU CB . 34077 3 251 . 1 1 23 23 GLU CG C 13 35.810 0.055 . 1 . . . . A 23 GLU CG . 34077 3 252 . 1 1 23 23 GLU N N 15 116.907 0.042 . 1 . . . . A 23 GLU N . 34077 3 253 . 1 1 24 24 ASP H H 1 7.656 0.006 . 1 . . . . A 24 ASP H . 34077 3 254 . 1 1 24 24 ASP HA H 1 4.305 0.006 . 1 . . . . A 24 ASP HA . 34077 3 255 . 1 1 24 24 ASP HB2 H 1 2.888 0.007 . 2 . . . . A 24 ASP HB2 . 34077 3 256 . 1 1 24 24 ASP HB3 H 1 2.510 0.007 . 2 . . . . A 24 ASP HB3 . 34077 3 257 . 1 1 24 24 ASP C C 13 179.285 0.024 . 1 . . . . A 24 ASP C . 34077 3 258 . 1 1 24 24 ASP CA C 13 57.707 0.061 . 1 . . . . A 24 ASP CA . 34077 3 259 . 1 1 24 24 ASP CB C 13 40.351 0.035 . 1 . . . . A 24 ASP CB . 34077 3 260 . 1 1 24 24 ASP N N 15 120.439 0.044 . 1 . . . . A 24 ASP N . 34077 3 261 . 1 1 25 25 ILE H H 1 8.075 0.007 . 1 . . . . A 25 ILE H . 34077 3 262 . 1 1 25 25 ILE HA H 1 3.258 0.007 . 1 . . . . A 25 ILE HA . 34077 3 263 . 1 1 25 25 ILE HB H 1 1.795 0.006 . 1 . . . . A 25 ILE HB . 34077 3 264 . 1 1 25 25 ILE HG12 H 1 0.543 0.008 . 1 . . . . A 25 ILE HG12 . 34077 3 265 . 1 1 25 25 ILE HG21 H 1 0.572 0.010 . 1 . . . . A 25 ILE HG21 . 34077 3 266 . 1 1 25 25 ILE HG22 H 1 0.572 0.010 . 1 . . . . A 25 ILE HG22 . 34077 3 267 . 1 1 25 25 ILE HG23 H 1 0.572 0.010 . 1 . . . . A 25 ILE HG23 . 34077 3 268 . 1 1 25 25 ILE HD11 H 1 0.864 0.005 . 1 . . . . A 25 ILE HD11 . 34077 3 269 . 1 1 25 25 ILE HD12 H 1 0.864 0.005 . 1 . . . . A 25 ILE HD12 . 34077 3 270 . 1 1 25 25 ILE HD13 H 1 0.864 0.005 . 1 . . . . A 25 ILE HD13 . 34077 3 271 . 1 1 25 25 ILE C C 13 176.669 0.022 . 1 . . . . A 25 ILE C . 34077 3 272 . 1 1 25 25 ILE CA C 13 66.336 0.073 . 1 . . . . A 25 ILE CA . 34077 3 273 . 1 1 25 25 ILE CB C 13 37.266 0.034 . 1 . . . . A 25 ILE CB . 34077 3 274 . 1 1 25 25 ILE CG1 C 13 31.216 0.024 . 1 . . . . A 25 ILE CG1 . 34077 3 275 . 1 1 25 25 ILE CG2 C 13 17.049 0.086 . 1 . . . . A 25 ILE CG2 . 34077 3 276 . 1 1 25 25 ILE CD1 C 13 15.388 0.058 . 1 . . . . A 25 ILE CD1 . 34077 3 277 . 1 1 25 25 ILE N N 15 123.128 0.054 . 1 . . . . A 25 ILE N . 34077 3 278 . 1 1 26 26 LYS H H 1 7.912 0.009 . 1 . . . . A 26 LYS H . 34077 3 279 . 1 1 26 26 LYS HA H 1 3.150 0.006 . 1 . . . . A 26 LYS HA . 34077 3 280 . 1 1 26 26 LYS HB2 H 1 1.376 0.009 . 2 . . . . A 26 LYS HB2 . 34077 3 281 . 1 1 26 26 LYS HB3 H 1 1.177 0.008 . 2 . . . . A 26 LYS HB3 . 34077 3 282 . 1 1 26 26 LYS HG2 H 1 0.414 0.014 . 2 . . . . A 26 LYS HG2 . 34077 3 283 . 1 1 26 26 LYS HG3 H 1 0.255 0.015 . 2 . . . . A 26 LYS HG3 . 34077 3 284 . 1 1 26 26 LYS HE2 H 1 2.600 0.012 . 2 . . . . A 26 LYS HE2 . 34077 3 285 . 1 1 26 26 LYS HE3 H 1 2.246 0.006 . 2 . . . . A 26 LYS HE3 . 34077 3 286 . 1 1 26 26 LYS C C 13 178.570 0.019 . 1 . . . . A 26 LYS C . 34077 3 287 . 1 1 26 26 LYS CA C 13 61.126 0.086 . 1 . . . . A 26 LYS CA . 34077 3 288 . 1 1 26 26 LYS CB C 13 31.214 0.034 . 1 . . . . A 26 LYS CB . 34077 3 289 . 1 1 26 26 LYS CG C 13 25.151 0.055 . 1 . . . . A 26 LYS CG . 34077 3 290 . 1 1 26 26 LYS CD C 13 29.091 0.071 . 1 . . . . A 26 LYS CD . 34077 3 291 . 1 1 26 26 LYS CE C 13 41.557 0.028 . 1 . . . . A 26 LYS CE . 34077 3 292 . 1 1 26 26 LYS N N 15 118.878 0.006 . 1 . . . . A 26 LYS N . 34077 3 293 . 1 1 27 27 LYS H H 1 7.754 0.007 . 1 . . . . A 27 LYS H . 34077 3 294 . 1 1 27 27 LYS HA H 1 3.913 0.009 . 1 . . . . A 27 LYS HA . 34077 3 295 . 1 1 27 27 LYS HB2 H 1 1.812 0.006 . 2 . . . . A 27 LYS HB2 . 34077 3 296 . 1 1 27 27 LYS HB3 H 1 1.813 0.006 . 2 . . . . A 27 LYS HB3 . 34077 3 297 . 1 1 27 27 LYS HG2 H 1 1.294 0.013 . 2 . . . . A 27 LYS HG2 . 34077 3 298 . 1 1 27 27 LYS HG3 H 1 1.464 0.003 . 2 . . . . A 27 LYS HG3 . 34077 3 299 . 1 1 27 27 LYS HD2 H 1 1.613 0.005 . 2 . . . . A 27 LYS HD2 . 34077 3 300 . 1 1 27 27 LYS HD3 H 1 1.606 0.005 . 2 . . . . A 27 LYS HD3 . 34077 3 301 . 1 1 27 27 LYS HE2 H 1 2.883 0.009 . 2 . . . . A 27 LYS HE2 . 34077 3 302 . 1 1 27 27 LYS HE3 H 1 2.891 0.000 . 2 . . . . A 27 LYS HE3 . 34077 3 303 . 1 1 27 27 LYS C C 13 180.719 0.012 . 1 . . . . A 27 LYS C . 34077 3 304 . 1 1 27 27 LYS CA C 13 59.568 0.035 . 1 . . . . A 27 LYS CA . 34077 3 305 . 1 1 27 27 LYS CB C 13 32.358 0.055 . 1 . . . . A 27 LYS CB . 34077 3 306 . 1 1 27 27 LYS CG C 13 24.947 0.024 . 1 . . . . A 27 LYS CG . 34077 3 307 . 1 1 27 27 LYS CD C 13 29.151 0.038 . 1 . . . . A 27 LYS CD . 34077 3 308 . 1 1 27 27 LYS CE C 13 42.139 0.017 . 1 . . . . A 27 LYS CE . 34077 3 309 . 1 1 27 27 LYS N N 15 117.843 0.088 . 1 . . . . A 27 LYS N . 34077 3 310 . 1 1 28 28 GLU H H 1 7.955 0.007 . 1 . . . . A 28 GLU H . 34077 3 311 . 1 1 28 28 GLU HA H 1 3.945 0.009 . 1 . . . . A 28 GLU HA . 34077 3 312 . 1 1 28 28 GLU HB2 H 1 2.029 0.003 . 2 . . . . A 28 GLU HB2 . 34077 3 313 . 1 1 28 28 GLU HB3 H 1 1.913 0.020 . 2 . . . . A 28 GLU HB3 . 34077 3 314 . 1 1 28 28 GLU C C 13 177.157 0.050 . 1 . . . . A 28 GLU C . 34077 3 315 . 1 1 28 28 GLU CA C 13 58.425 0.037 . 1 . . . . A 28 GLU CA . 34077 3 316 . 1 1 28 28 GLU CB C 13 28.654 0.058 . 1 . . . . A 28 GLU CB . 34077 3 317 . 1 1 28 28 GLU N N 15 122.515 0.046 . 1 . . . . A 28 GLU N . 34077 3 318 . 1 1 29 29 ALA H H 1 7.865 0.009 . 1 . . . . A 29 ALA H . 34077 3 319 . 1 1 29 29 ALA HA H 1 4.204 0.008 . 1 . . . . A 29 ALA HA . 34077 3 320 . 1 1 29 29 ALA HB1 H 1 1.138 0.007 . 1 . . . . A 29 ALA HB1 . 34077 3 321 . 1 1 29 29 ALA HB2 H 1 1.138 0.007 . 1 . . . . A 29 ALA HB2 . 34077 3 322 . 1 1 29 29 ALA HB3 H 1 1.138 0.007 . 1 . . . . A 29 ALA HB3 . 34077 3 323 . 1 1 29 29 ALA C C 13 175.217 0.022 . 1 . . . . A 29 ALA C . 34077 3 324 . 1 1 29 29 ALA CA C 13 51.898 0.066 . 1 . . . . A 29 ALA CA . 34077 3 325 . 1 1 29 29 ALA CB C 13 18.651 0.028 . 1 . . . . A 29 ALA CB . 34077 3 326 . 1 1 29 29 ALA N N 15 118.612 0.059 . 1 . . . . A 29 ALA N . 34077 3 327 . 1 1 30 30 GLN H H 1 7.734 0.005 . 1 . . . . A 30 GLN H . 34077 3 328 . 1 1 30 30 GLN HA H 1 3.838 0.005 . 1 . . . . A 30 GLN HA . 34077 3 329 . 1 1 30 30 GLN HB2 H 1 2.254 0.021 . 2 . . . . A 30 GLN HB2 . 34077 3 330 . 1 1 30 30 GLN HB3 H 1 2.180 0.005 . 2 . . . . A 30 GLN HB3 . 34077 3 331 . 1 1 30 30 GLN HG2 H 1 2.179 0.004 . 2 . . . . A 30 GLN HG2 . 34077 3 332 . 1 1 30 30 GLN HG3 H 1 1.379 0.000 . 2 . . . . A 30 GLN HG3 . 34077 3 333 . 1 1 30 30 GLN HE21 H 1 7.496 0.003 . 1 . . . . A 30 GLN HE21 . 34077 3 334 . 1 1 30 30 GLN HE22 H 1 6.664 0.005 . 1 . . . . A 30 GLN HE22 . 34077 3 335 . 1 1 30 30 GLN C C 13 175.493 0.005 . 1 . . . . A 30 GLN C . 34077 3 336 . 1 1 30 30 GLN CA C 13 56.653 0.033 . 1 . . . . A 30 GLN CA . 34077 3 337 . 1 1 30 30 GLN CB C 13 25.749 0.048 . 1 . . . . A 30 GLN CB . 34077 3 338 . 1 1 30 30 GLN CG C 13 34.224 0.090 . 1 . . . . A 30 GLN CG . 34077 3 339 . 1 1 30 30 GLN CD C 13 181.362 0.008 . 1 . . . . A 30 GLN CD . 34077 3 340 . 1 1 30 30 GLN N N 15 113.409 0.074 . 1 . . . . A 30 GLN N . 34077 3 341 . 1 1 30 30 GLN NE2 N 15 112.466 0.013 . 1 . . . . A 30 GLN NE2 . 34077 3 342 . 1 1 31 31 LEU H H 1 8.087 0.011 . 1 . . . . A 31 LEU H . 34077 3 343 . 1 1 31 31 LEU HA H 1 4.561 0.005 . 1 . . . . A 31 LEU HA . 34077 3 344 . 1 1 31 31 LEU HB2 H 1 1.645 0.016 . 2 . . . . A 31 LEU HB2 . 34077 3 345 . 1 1 31 31 LEU HB3 H 1 1.226 0.013 . 2 . . . . A 31 LEU HB3 . 34077 3 346 . 1 1 31 31 LEU HD11 H 1 0.897 0.011 . 2 . . . . A 31 LEU HD11 . 34077 3 347 . 1 1 31 31 LEU HD12 H 1 0.897 0.011 . 2 . . . . A 31 LEU HD12 . 34077 3 348 . 1 1 31 31 LEU HD13 H 1 0.897 0.011 . 2 . . . . A 31 LEU HD13 . 34077 3 349 . 1 1 31 31 LEU HD21 H 1 0.916 0.006 . 2 . . . . A 31 LEU HD21 . 34077 3 350 . 1 1 31 31 LEU HD22 H 1 0.916 0.006 . 2 . . . . A 31 LEU HD22 . 34077 3 351 . 1 1 31 31 LEU HD23 H 1 0.916 0.006 . 2 . . . . A 31 LEU HD23 . 34077 3 352 . 1 1 31 31 LEU C C 13 176.593 0.058 . 1 . . . . A 31 LEU C . 34077 3 353 . 1 1 31 31 LEU CA C 13 54.037 0.010 . 1 . . . . A 31 LEU CA . 34077 3 354 . 1 1 31 31 LEU CB C 13 42.649 0.122 . 1 . . . . A 31 LEU CB . 34077 3 355 . 1 1 31 31 LEU CD1 C 13 26.023 0.049 . 2 . . . . A 31 LEU CD1 . 34077 3 356 . 1 1 31 31 LEU CD2 C 13 23.955 0.010 . 2 . . . . A 31 LEU CD2 . 34077 3 357 . 1 1 31 31 LEU N N 15 118.918 0.046 . 1 . . . . A 31 LEU N . 34077 3 358 . 1 1 32 32 ASP H H 1 8.650 0.004 . 1 . . . . A 32 ASP H . 34077 3 359 . 1 1 32 32 ASP HA H 1 4.178 0.009 . 1 . . . . A 32 ASP HA . 34077 3 360 . 1 1 32 32 ASP HB2 H 1 2.514 0.013 . 2 . . . . A 32 ASP HB2 . 34077 3 361 . 1 1 32 32 ASP HB3 H 1 2.425 0.004 . 2 . . . . A 32 ASP HB3 . 34077 3 362 . 1 1 32 32 ASP C C 13 176.387 0.008 . 1 . . . . A 32 ASP C . 34077 3 363 . 1 1 32 32 ASP CA C 13 54.886 0.028 . 1 . . . . A 32 ASP CA . 34077 3 364 . 1 1 32 32 ASP CB C 13 40.579 0.019 . 1 . . . . A 32 ASP CB . 34077 3 365 . 1 1 32 32 ASP N N 15 120.300 0.053 . 1 . . . . A 32 ASP N . 34077 3 366 . 1 1 33 33 GLU H H 1 8.190 0.011 . 1 . . . . A 33 GLU H . 34077 3 367 . 1 1 33 33 GLU HA H 1 4.156 0.009 . 1 . . . . A 33 GLU HA . 34077 3 368 . 1 1 33 33 GLU HB2 H 1 1.734 0.008 . 2 . . . . A 33 GLU HB2 . 34077 3 369 . 1 1 33 33 GLU HB3 H 1 1.977 0.018 . 2 . . . . A 33 GLU HB3 . 34077 3 370 . 1 1 33 33 GLU C C 13 176.474 0.000 . 1 . . . . A 33 GLU C . 34077 3 371 . 1 1 33 33 GLU CA C 13 56.473 0.001 . 1 . . . . A 33 GLU CA . 34077 3 372 . 1 1 33 33 GLU CB C 13 29.893 0.004 . 1 . . . . A 33 GLU CB . 34077 3 373 . 1 1 33 33 GLU CG C 13 36.203 0.000 . 1 . . . . A 33 GLU CG . 34077 3 374 . 1 1 33 33 GLU N N 15 118.817 0.049 . 1 . . . . A 33 GLU N . 34077 3 375 . 1 1 34 34 GLU H H 1 8.012 0.004 . 1 . . . . A 34 GLU H . 34077 3 376 . 1 1 34 34 GLU HA H 1 4.100 0.006 . 1 . . . . A 34 GLU HA . 34077 3 377 . 1 1 34 34 GLU HB2 H 1 1.863 0.007 . 1 . . . . A 34 GLU HB2 . 34077 3 378 . 1 1 34 34 GLU C C 13 176.871 0.007 . 1 . . . . A 34 GLU C . 34077 3 379 . 1 1 34 34 GLU CA C 13 56.356 0.032 . 1 . . . . A 34 GLU CA . 34077 3 380 . 1 1 34 34 GLU CB C 13 30.232 0.000 . 1 . . . . A 34 GLU CB . 34077 3 381 . 1 1 34 34 GLU N N 15 121.807 0.026 . 1 . . . . A 34 GLU N . 34077 3 382 . 1 1 35 35 GLY H H 1 8.131 0.004 . 1 . . . . A 35 GLY H . 34077 3 383 . 1 1 35 35 GLY HA2 H 1 3.926 0.008 . 2 . . . . A 35 GLY HA2 . 34077 3 384 . 1 1 35 35 GLY HA3 H 1 3.721 0.004 . 2 . . . . A 35 GLY HA3 . 34077 3 385 . 1 1 35 35 GLY C C 13 173.261 0.005 . 1 . . . . A 35 GLY C . 34077 3 386 . 1 1 35 35 GLY CA C 13 44.749 0.047 . 1 . . . . A 35 GLY CA . 34077 3 387 . 1 1 35 35 GLY N N 15 110.281 0.076 . 1 . . . . A 35 GLY N . 34077 3 388 . 1 1 36 36 GLN H H 1 7.874 0.005 . 1 . . . . A 36 GLN H . 34077 3 389 . 1 1 36 36 GLN HA H 1 4.417 0.006 . 1 . . . . A 36 GLN HA . 34077 3 390 . 1 1 36 36 GLN C C 13 175.956 0.019 . 1 . . . . A 36 GLN C . 34077 3 391 . 1 1 36 36 GLN CA C 13 55.347 0.057 . 1 . . . . A 36 GLN CA . 34077 3 392 . 1 1 36 36 GLN CB C 13 30.273 0.101 . 1 . . . . A 36 GLN CB . 34077 3 393 . 1 1 36 36 GLN N N 15 119.071 0.058 . 1 . . . . A 36 GLN N . 34077 3 394 . 1 1 37 37 PHE H H 1 9.338 0.008 . 1 . . . . A 37 PHE H . 34077 3 395 . 1 1 37 37 PHE HA H 1 4.318 0.019 . 1 . . . . A 37 PHE HA . 34077 3 396 . 1 1 37 37 PHE HB2 H 1 2.620 0.003 . 1 . . . . A 37 PHE HB2 . 34077 3 397 . 1 1 37 37 PHE HD1 H 1 6.554 0.010 . 1 . . . . A 37 PHE HD1 . 34077 3 398 . 1 1 37 37 PHE HD2 H 1 6.554 0.010 . 1 . . . . A 37 PHE HD2 . 34077 3 399 . 1 1 37 37 PHE HE1 H 1 6.949 0.006 . 1 . . . . A 37 PHE HE1 . 34077 3 400 . 1 1 37 37 PHE HE2 H 1 6.949 0.006 . 1 . . . . A 37 PHE HE2 . 34077 3 401 . 1 1 37 37 PHE C C 13 175.024 0.000 . 1 . . . . A 37 PHE C . 34077 3 402 . 1 1 37 37 PHE CA C 13 59.146 0.054 . 1 . . . . A 37 PHE CA . 34077 3 403 . 1 1 37 37 PHE CB C 13 38.942 0.057 . 1 . . . . A 37 PHE CB . 34077 3 404 . 1 1 37 37 PHE CD1 C 13 132.274 0.000 . 1 . . . . A 37 PHE CD1 . 34077 3 405 . 1 1 37 37 PHE CD2 C 13 132.274 0.000 . 1 . . . . A 37 PHE CD2 . 34077 3 406 . 1 1 37 37 PHE N N 15 121.872 0.062 . 1 . . . . A 37 PHE N . 34077 3 407 . 1 1 38 38 LEU H H 1 8.577 0.006 . 1 . . . . A 38 LEU H . 34077 3 408 . 1 1 38 38 LEU HA H 1 4.421 0.006 . 1 . . . . A 38 LEU HA . 34077 3 409 . 1 1 38 38 LEU HB2 H 1 1.906 0.010 . 2 . . . . A 38 LEU HB2 . 34077 3 410 . 1 1 38 38 LEU HB3 H 1 1.636 0.004 . 2 . . . . A 38 LEU HB3 . 34077 3 411 . 1 1 38 38 LEU HG H 1 1.752 0.001 . 1 . . . . A 38 LEU HG . 34077 3 412 . 1 1 38 38 LEU HD11 H 1 0.950 0.005 . 2 . . . . A 38 LEU HD11 . 34077 3 413 . 1 1 38 38 LEU HD12 H 1 0.950 0.005 . 2 . . . . A 38 LEU HD12 . 34077 3 414 . 1 1 38 38 LEU HD13 H 1 0.950 0.005 . 2 . . . . A 38 LEU HD13 . 34077 3 415 . 1 1 38 38 LEU HD21 H 1 0.811 0.013 . 2 . . . . A 38 LEU HD21 . 34077 3 416 . 1 1 38 38 LEU HD22 H 1 0.811 0.013 . 2 . . . . A 38 LEU HD22 . 34077 3 417 . 1 1 38 38 LEU HD23 H 1 0.811 0.013 . 2 . . . . A 38 LEU HD23 . 34077 3 418 . 1 1 38 38 LEU C C 13 179.278 0.010 . 1 . . . . A 38 LEU C . 34077 3 419 . 1 1 38 38 LEU CA C 13 54.433 0.098 . 1 . . . . A 38 LEU CA . 34077 3 420 . 1 1 38 38 LEU CB C 13 41.806 0.096 . 1 . . . . A 38 LEU CB . 34077 3 421 . 1 1 38 38 LEU CG C 13 27.042 0.059 . 1 . . . . A 38 LEU CG . 34077 3 422 . 1 1 38 38 LEU CD1 C 13 25.257 0.096 . 2 . . . . A 38 LEU CD1 . 34077 3 423 . 1 1 38 38 LEU CD2 C 13 22.638 0.021 . 2 . . . . A 38 LEU CD2 . 34077 3 424 . 1 1 38 38 LEU N N 15 125.684 0.085 . 1 . . . . A 38 LEU N . 34077 3 425 . 1 1 39 39 VAL H H 1 8.037 0.012 . 1 . . . . A 39 VAL H . 34077 3 426 . 1 1 39 39 VAL HA H 1 3.616 0.005 . 1 . . . . A 39 VAL HA . 34077 3 427 . 1 1 39 39 VAL HB H 1 2.265 0.010 . 1 . . . . A 39 VAL HB . 34077 3 428 . 1 1 39 39 VAL HG11 H 1 1.139 0.006 . 2 . . . . A 39 VAL HG11 . 34077 3 429 . 1 1 39 39 VAL HG12 H 1 1.139 0.006 . 2 . . . . A 39 VAL HG12 . 34077 3 430 . 1 1 39 39 VAL HG13 H 1 1.139 0.006 . 2 . . . . A 39 VAL HG13 . 34077 3 431 . 1 1 39 39 VAL HG21 H 1 1.231 0.004 . 2 . . . . A 39 VAL HG21 . 34077 3 432 . 1 1 39 39 VAL HG22 H 1 1.231 0.004 . 2 . . . . A 39 VAL HG22 . 34077 3 433 . 1 1 39 39 VAL HG23 H 1 1.231 0.004 . 2 . . . . A 39 VAL HG23 . 34077 3 434 . 1 1 39 39 VAL C C 13 179.379 0.000 . 1 . . . . A 39 VAL C . 34077 3 435 . 1 1 39 39 VAL CA C 13 66.025 0.024 . 1 . . . . A 39 VAL CA . 34077 3 436 . 1 1 39 39 VAL CB C 13 31.511 0.027 . 1 . . . . A 39 VAL CB . 34077 3 437 . 1 1 39 39 VAL CG1 C 13 22.478 0.032 . 2 . . . . A 39 VAL CG1 . 34077 3 438 . 1 1 39 39 VAL CG2 C 13 19.621 0.092 . 2 . . . . A 39 VAL CG2 . 34077 3 439 . 1 1 39 39 VAL N N 15 116.016 0.079 . 1 . . . . A 39 VAL N . 34077 3 440 . 1 1 40 40 ARG H H 1 8.009 0.004 . 1 . . . . A 40 ARG H . 34077 3 441 . 1 1 40 40 ARG HA H 1 4.870 0.002 . 1 . . . . A 40 ARG HA . 34077 3 442 . 1 1 40 40 ARG HB2 H 1 2.408 0.004 . 2 . . . . A 40 ARG HB2 . 34077 3 443 . 1 1 40 40 ARG HB3 H 1 2.410 0.001 . 2 . . . . A 40 ARG HB3 . 34077 3 444 . 1 1 40 40 ARG HG2 H 1 3.411 0.007 . 2 . . . . A 40 ARG HG2 . 34077 3 445 . 1 1 40 40 ARG HG3 H 1 3.415 0.000 . 2 . . . . A 40 ARG HG3 . 34077 3 446 . 1 1 40 40 ARG C C 13 175.114 0.053 . 1 . . . . A 40 ARG C . 34077 3 447 . 1 1 40 40 ARG CA C 13 56.157 0.139 . 1 . . . . A 40 ARG CA . 34077 3 448 . 1 1 40 40 ARG CB C 13 30.245 0.025 . 1 . . . . A 40 ARG CB . 34077 3 449 . 1 1 40 40 ARG CG C 13 29.333 0.013 . 1 . . . . A 40 ARG CG . 34077 3 450 . 1 1 40 40 ARG CD C 13 43.458 0.037 . 1 . . . . A 40 ARG CD . 34077 3 451 . 1 1 40 40 ARG N N 15 112.324 0.064 . 1 . . . . A 40 ARG N . 34077 3 452 . 1 1 41 41 ILE H H 1 7.296 0.010 . 1 . . . . A 41 ILE H . 34077 3 453 . 1 1 41 41 ILE HA H 1 4.192 0.009 . 1 . . . . A 41 ILE HA . 34077 3 454 . 1 1 41 41 ILE HB H 1 1.950 0.007 . 1 . . . . A 41 ILE HB . 34077 3 455 . 1 1 41 41 ILE HG12 H 1 1.346 0.005 . 2 . . . . A 41 ILE HG12 . 34077 3 456 . 1 1 41 41 ILE HG13 H 1 1.280 0.013 . 2 . . . . A 41 ILE HG13 . 34077 3 457 . 1 1 41 41 ILE HG21 H 1 0.171 0.003 . 1 . . . . A 41 ILE HG21 . 34077 3 458 . 1 1 41 41 ILE HG22 H 1 0.171 0.003 . 1 . . . . A 41 ILE HG22 . 34077 3 459 . 1 1 41 41 ILE HG23 H 1 0.171 0.003 . 1 . . . . A 41 ILE HG23 . 34077 3 460 . 1 1 41 41 ILE HD11 H 1 0.731 0.003 . 1 . . . . A 41 ILE HD11 . 34077 3 461 . 1 1 41 41 ILE HD12 H 1 0.731 0.003 . 1 . . . . A 41 ILE HD12 . 34077 3 462 . 1 1 41 41 ILE HD13 H 1 0.731 0.003 . 1 . . . . A 41 ILE HD13 . 34077 3 463 . 1 1 41 41 ILE C C 13 180.815 0.000 . 1 . . . . A 41 ILE C . 34077 3 464 . 1 1 41 41 ILE CA C 13 58.027 0.069 . 1 . . . . A 41 ILE CA . 34077 3 465 . 1 1 41 41 ILE CB C 13 38.040 0.032 . 1 . . . . A 41 ILE CB . 34077 3 466 . 1 1 41 41 ILE CG1 C 13 28.235 0.030 . 1 . . . . A 41 ILE CG1 . 34077 3 467 . 1 1 41 41 ILE CG2 C 13 16.685 0.015 . 1 . . . . A 41 ILE CG2 . 34077 3 468 . 1 1 41 41 ILE CD1 C 13 10.595 0.049 . 1 . . . . A 41 ILE CD1 . 34077 3 469 . 1 1 41 41 ILE N N 15 120.913 0.080 . 1 . . . . A 41 ILE N . 34077 3 470 . 1 1 42 42 ILE H H 1 7.943 0.014 . 1 . . . . A 42 ILE H . 34077 3 471 . 1 1 42 42 ILE HA H 1 3.453 0.012 . 1 . . . . A 42 ILE HA . 34077 3 472 . 1 1 42 42 ILE HB H 1 1.297 0.006 . 1 . . . . A 42 ILE HB . 34077 3 473 . 1 1 42 42 ILE HG12 H 1 -0.418 0.003 . 1 . . . . A 42 ILE HG12 . 34077 3 474 . 1 1 42 42 ILE HG21 H 1 0.501 0.007 . 1 . . . . A 42 ILE HG21 . 34077 3 475 . 1 1 42 42 ILE HG22 H 1 0.501 0.007 . 1 . . . . A 42 ILE HG22 . 34077 3 476 . 1 1 42 42 ILE HG23 H 1 0.501 0.007 . 1 . . . . A 42 ILE HG23 . 34077 3 477 . 1 1 42 42 ILE HD11 H 1 0.648 0.005 . 1 . . . . A 42 ILE HD11 . 34077 3 478 . 1 1 42 42 ILE HD12 H 1 0.648 0.005 . 1 . . . . A 42 ILE HD12 . 34077 3 479 . 1 1 42 42 ILE HD13 H 1 0.648 0.005 . 1 . . . . A 42 ILE HD13 . 34077 3 480 . 1 1 42 42 ILE C C 13 175.520 0.000 . 1 . . . . A 42 ILE C . 34077 3 481 . 1 1 42 42 ILE CA C 13 62.265 0.047 . 1 . . . . A 42 ILE CA . 34077 3 482 . 1 1 42 42 ILE CB C 13 37.805 0.046 . 1 . . . . A 42 ILE CB . 34077 3 483 . 1 1 42 42 ILE CG1 C 13 26.993 0.010 . 1 . . . . A 42 ILE CG1 . 34077 3 484 . 1 1 42 42 ILE CG2 C 13 17.968 0.047 . 1 . . . . A 42 ILE CG2 . 34077 3 485 . 1 1 42 42 ILE CD1 C 13 13.622 0.060 . 1 . . . . A 42 ILE CD1 . 34077 3 486 . 1 1 42 42 ILE N N 15 124.569 0.072 . 1 . . . . A 42 ILE N . 34077 3 487 . 1 1 43 43 TYR H H 1 7.863 0.011 . 1 . . . . A 43 TYR H . 34077 3 488 . 1 1 43 43 TYR HA H 1 4.490 0.005 . 1 . . . . A 43 TYR HA . 34077 3 489 . 1 1 43 43 TYR HB2 H 1 2.846 0.011 . 2 . . . . A 43 TYR HB2 . 34077 3 490 . 1 1 43 43 TYR HB3 H 1 2.728 0.000 . 2 . . . . A 43 TYR HB3 . 34077 3 491 . 1 1 43 43 TYR HD1 H 1 7.103 0.005 . 1 . . . . A 43 TYR HD1 . 34077 3 492 . 1 1 43 43 TYR HD2 H 1 7.103 0.005 . 1 . . . . A 43 TYR HD2 . 34077 3 493 . 1 1 43 43 TYR HE1 H 1 7.277 0.004 . 1 . . . . A 43 TYR HE1 . 34077 3 494 . 1 1 43 43 TYR HE2 H 1 7.277 0.004 . 1 . . . . A 43 TYR HE2 . 34077 3 495 . 1 1 43 43 TYR C C 13 175.232 0.011 . 1 . . . . A 43 TYR C . 34077 3 496 . 1 1 43 43 TYR CA C 13 57.008 0.148 . 1 . . . . A 43 TYR CA . 34077 3 497 . 1 1 43 43 TYR CB C 13 41.213 0.000 . 1 . . . . A 43 TYR CB . 34077 3 498 . 1 1 43 43 TYR CE1 C 13 119.380 0.000 . 1 . . . . A 43 TYR CE1 . 34077 3 499 . 1 1 43 43 TYR CE2 C 13 119.380 0.000 . 1 . . . . A 43 TYR CE2 . 34077 3 500 . 1 1 43 43 TYR N N 15 126.604 0.066 . 1 . . . . A 43 TYR N . 34077 3 501 . 1 1 44 44 ASP H H 1 8.805 0.005 . 1 . . . . A 44 ASP H . 34077 3 502 . 1 1 44 44 ASP HA H 1 4.417 0.000 . 1 . . . . A 44 ASP HA . 34077 3 503 . 1 1 44 44 ASP HB2 H 1 2.551 0.007 . 2 . . . . A 44 ASP HB2 . 34077 3 504 . 1 1 44 44 ASP HB3 H 1 2.786 0.003 . 2 . . . . A 44 ASP HB3 . 34077 3 505 . 1 1 44 44 ASP C C 13 179.636 0.000 . 1 . . . . A 44 ASP C . 34077 3 506 . 1 1 44 44 ASP CA C 13 55.547 0.028 . 1 . . . . A 44 ASP CA . 34077 3 507 . 1 1 44 44 ASP CB C 13 42.147 0.000 . 1 . . . . A 44 ASP CB . 34077 3 508 . 1 1 44 44 ASP N N 15 122.245 0.051 . 1 . . . . A 44 ASP N . 34077 3 509 . 1 1 45 45 ASP H H 1 9.655 0.016 . 1 . . . . A 45 ASP H . 34077 3 510 . 1 1 45 45 ASP HA H 1 4.087 0.004 . 1 . . . . A 45 ASP HA . 34077 3 511 . 1 1 45 45 ASP C C 13 178.035 0.000 . 1 . . . . A 45 ASP C . 34077 3 512 . 1 1 45 45 ASP CA C 13 58.204 0.069 . 1 . . . . A 45 ASP CA . 34077 3 513 . 1 1 45 45 ASP CB C 13 39.987 0.067 . 1 . . . . A 45 ASP CB . 34077 3 514 . 1 1 45 45 ASP N N 15 129.990 0.023 . 1 . . . . A 45 ASP N . 34077 3 515 . 1 1 46 46 SER H H 1 8.939 0.003 . 1 . . . . A 46 SER H . 34077 3 516 . 1 1 46 46 SER HA H 1 4.420 0.002 . 1 . . . . A 46 SER HA . 34077 3 517 . 1 1 46 46 SER HB2 H 1 4.167 0.000 . 2 . . . . A 46 SER HB2 . 34077 3 518 . 1 1 46 46 SER HB3 H 1 3.935 0.006 . 2 . . . . A 46 SER HB3 . 34077 3 519 . 1 1 46 46 SER C C 13 175.523 0.000 . 1 . . . . A 46 SER C . 34077 3 520 . 1 1 46 46 SER CA C 13 61.914 0.116 . 1 . . . . A 46 SER CA . 34077 3 521 . 1 1 46 46 SER N N 15 114.578 0.059 . 1 . . . . A 46 SER N . 34077 3 522 . 1 1 47 47 LYS H H 1 7.353 0.005 . 1 . . . . A 47 LYS H . 34077 3 523 . 1 1 47 47 LYS HA H 1 4.150 0.010 . 1 . . . . A 47 LYS HA . 34077 3 524 . 1 1 47 47 LYS HE2 H 1 3.159 0.016 . 2 . . . . A 47 LYS HE2 . 34077 3 525 . 1 1 47 47 LYS HE3 H 1 3.097 0.005 . 2 . . . . A 47 LYS HE3 . 34077 3 526 . 1 1 47 47 LYS C C 13 178.753 0.021 . 1 . . . . A 47 LYS C . 34077 3 527 . 1 1 47 47 LYS CA C 13 59.202 0.005 . 1 . . . . A 47 LYS CA . 34077 3 528 . 1 1 47 47 LYS CB C 13 32.289 0.023 . 1 . . . . A 47 LYS CB . 34077 3 529 . 1 1 47 47 LYS N N 15 118.962 0.039 . 1 . . . . A 47 LYS N . 34077 3 530 . 1 1 48 48 THR H H 1 7.445 0.003 . 1 . . . . A 48 THR H . 34077 3 531 . 1 1 48 48 THR HA H 1 3.673 0.016 . 1 . . . . A 48 THR HA . 34077 3 532 . 1 1 48 48 THR HB H 1 3.734 0.011 . 1 . . . . A 48 THR HB . 34077 3 533 . 1 1 48 48 THR HG1 H 1 5.670 0.003 . 1 . . . . A 48 THR HG1 . 34077 3 534 . 1 1 48 48 THR HG21 H 1 0.740 0.012 . 1 . . . . A 48 THR HG21 . 34077 3 535 . 1 1 48 48 THR HG22 H 1 0.740 0.012 . 1 . . . . A 48 THR HG22 . 34077 3 536 . 1 1 48 48 THR HG23 H 1 0.740 0.012 . 1 . . . . A 48 THR HG23 . 34077 3 537 . 1 1 48 48 THR C C 13 175.548 0.010 . 1 . . . . A 48 THR C . 34077 3 538 . 1 1 48 48 THR CA C 13 66.884 0.071 . 1 . . . . A 48 THR CA . 34077 3 539 . 1 1 48 48 THR CB C 13 68.993 0.112 . 1 . . . . A 48 THR CB . 34077 3 540 . 1 1 48 48 THR CG2 C 13 20.662 0.143 . 1 . . . . A 48 THR CG2 . 34077 3 541 . 1 1 48 48 THR N N 15 114.394 0.070 . 1 . . . . A 48 THR N . 34077 3 542 . 1 1 49 49 TYR H H 1 7.061 0.004 . 1 . . . . A 49 TYR H . 34077 3 543 . 1 1 49 49 TYR HA H 1 3.915 0.009 . 1 . . . . A 49 TYR HA . 34077 3 544 . 1 1 49 49 TYR HB2 H 1 3.135 0.010 . 2 . . . . A 49 TYR HB2 . 34077 3 545 . 1 1 49 49 TYR HB3 H 1 2.853 0.013 . 2 . . . . A 49 TYR HB3 . 34077 3 546 . 1 1 49 49 TYR HD1 H 1 7.069 0.008 . 1 . . . . A 49 TYR HD1 . 34077 3 547 . 1 1 49 49 TYR HD2 H 1 7.069 0.008 . 1 . . . . A 49 TYR HD2 . 34077 3 548 . 1 1 49 49 TYR HE1 H 1 6.706 0.008 . 1 . . . . A 49 TYR HE1 . 34077 3 549 . 1 1 49 49 TYR HE2 H 1 6.706 0.008 . 1 . . . . A 49 TYR HE2 . 34077 3 550 . 1 1 49 49 TYR C C 13 179.275 0.009 . 1 . . . . A 49 TYR C . 34077 3 551 . 1 1 49 49 TYR CA C 13 62.053 0.060 . 1 . . . . A 49 TYR CA . 34077 3 552 . 1 1 49 49 TYR CB C 13 36.993 0.041 . 1 . . . . A 49 TYR CB . 34077 3 553 . 1 1 49 49 TYR CD1 C 13 132.865 0.000 . 1 . . . . A 49 TYR CD1 . 34077 3 554 . 1 1 49 49 TYR CD2 C 13 132.865 0.000 . 1 . . . . A 49 TYR CD2 . 34077 3 555 . 1 1 49 49 TYR CE1 C 13 117.853 0.000 . 1 . . . . A 49 TYR CE1 . 34077 3 556 . 1 1 49 49 TYR CE2 C 13 117.853 0.000 . 1 . . . . A 49 TYR CE2 . 34077 3 557 . 1 1 49 49 TYR N N 15 118.972 0.062 . 1 . . . . A 49 TYR N . 34077 3 558 . 1 1 50 50 ASP H H 1 8.969 0.004 . 1 . . . . A 50 ASP H . 34077 3 559 . 1 1 50 50 ASP HA H 1 4.415 0.005 . 1 . . . . A 50 ASP HA . 34077 3 560 . 1 1 50 50 ASP HB2 H 1 2.530 0.013 . 2 . . . . A 50 ASP HB2 . 34077 3 561 . 1 1 50 50 ASP HB3 H 1 2.761 0.009 . 2 . . . . A 50 ASP HB3 . 34077 3 562 . 1 1 50 50 ASP C C 13 179.854 0.015 . 1 . . . . A 50 ASP C . 34077 3 563 . 1 1 50 50 ASP CA C 13 57.457 0.055 . 1 . . . . A 50 ASP CA . 34077 3 564 . 1 1 50 50 ASP CB C 13 39.835 0.007 . 1 . . . . A 50 ASP CB . 34077 3 565 . 1 1 50 50 ASP N N 15 120.643 0.060 . 1 . . . . A 50 ASP N . 34077 3 566 . 1 1 51 51 LEU H H 1 7.774 0.006 . 1 . . . . A 51 LEU H . 34077 3 567 . 1 1 51 51 LEU HA H 1 3.821 0.012 . 1 . . . . A 51 LEU HA . 34077 3 568 . 1 1 51 51 LEU HB2 H 1 1.949 0.015 . 1 . . . . A 51 LEU HB2 . 34077 3 569 . 1 1 51 51 LEU HG H 1 1.745 0.004 . 1 . . . . A 51 LEU HG . 34077 3 570 . 1 1 51 51 LEU HD11 H 1 0.684 0.008 . 2 . . . . A 51 LEU HD11 . 34077 3 571 . 1 1 51 51 LEU HD12 H 1 0.684 0.008 . 2 . . . . A 51 LEU HD12 . 34077 3 572 . 1 1 51 51 LEU HD13 H 1 0.684 0.008 . 2 . . . . A 51 LEU HD13 . 34077 3 573 . 1 1 51 51 LEU HD21 H 1 0.548 0.008 . 2 . . . . A 51 LEU HD21 . 34077 3 574 . 1 1 51 51 LEU HD22 H 1 0.548 0.008 . 2 . . . . A 51 LEU HD22 . 34077 3 575 . 1 1 51 51 LEU HD23 H 1 0.548 0.008 . 2 . . . . A 51 LEU HD23 . 34077 3 576 . 1 1 51 51 LEU C C 13 178.407 0.001 . 1 . . . . A 51 LEU C . 34077 3 577 . 1 1 51 51 LEU CA C 13 58.251 0.050 . 1 . . . . A 51 LEU CA . 34077 3 578 . 1 1 51 51 LEU CB C 13 42.765 0.045 . 1 . . . . A 51 LEU CB . 34077 3 579 . 1 1 51 51 LEU CG C 13 27.091 0.000 . 1 . . . . A 51 LEU CG . 34077 3 580 . 1 1 51 51 LEU CD1 C 13 25.234 0.085 . 2 . . . . A 51 LEU CD1 . 34077 3 581 . 1 1 51 51 LEU CD2 C 13 23.662 0.043 . 2 . . . . A 51 LEU CD2 . 34077 3 582 . 1 1 51 51 LEU N N 15 121.631 0.065 . 1 . . . . A 51 LEU N . 34077 3 583 . 1 1 52 52 VAL H H 1 8.049 0.013 . 1 . . . . A 52 VAL H . 34077 3 584 . 1 1 52 52 VAL HA H 1 3.325 0.007 . 1 . . . . A 52 VAL HA . 34077 3 585 . 1 1 52 52 VAL HB H 1 2.089 0.007 . 1 . . . . A 52 VAL HB . 34077 3 586 . 1 1 52 52 VAL HG11 H 1 0.867 0.008 . 2 . . . . A 52 VAL HG11 . 34077 3 587 . 1 1 52 52 VAL HG12 H 1 0.867 0.008 . 2 . . . . A 52 VAL HG12 . 34077 3 588 . 1 1 52 52 VAL HG13 H 1 0.867 0.008 . 2 . . . . A 52 VAL HG13 . 34077 3 589 . 1 1 52 52 VAL HG21 H 1 0.860 0.006 . 2 . . . . A 52 VAL HG21 . 34077 3 590 . 1 1 52 52 VAL HG22 H 1 0.860 0.006 . 2 . . . . A 52 VAL HG22 . 34077 3 591 . 1 1 52 52 VAL HG23 H 1 0.860 0.006 . 2 . . . . A 52 VAL HG23 . 34077 3 592 . 1 1 52 52 VAL C C 13 177.544 0.007 . 1 . . . . A 52 VAL C . 34077 3 593 . 1 1 52 52 VAL CA C 13 67.467 0.088 . 1 . . . . A 52 VAL CA . 34077 3 594 . 1 1 52 52 VAL CB C 13 31.389 0.006 . 1 . . . . A 52 VAL CB . 34077 3 595 . 1 1 52 52 VAL CG1 C 13 23.276 0.058 . 2 . . . . A 52 VAL CG1 . 34077 3 596 . 1 1 52 52 VAL CG2 C 13 20.703 0.099 . 2 . . . . A 52 VAL CG2 . 34077 3 597 . 1 1 52 52 VAL N N 15 119.744 0.061 . 1 . . . . A 52 VAL N . 34077 3 598 . 1 1 53 53 ALA H H 1 7.990 0.008 . 1 . . . . A 53 ALA H . 34077 3 599 . 1 1 53 53 ALA HA H 1 4.070 0.003 . 1 . . . . A 53 ALA HA . 34077 3 600 . 1 1 53 53 ALA HB1 H 1 1.498 0.012 . 1 . . . . A 53 ALA HB1 . 34077 3 601 . 1 1 53 53 ALA HB2 H 1 1.498 0.012 . 1 . . . . A 53 ALA HB2 . 34077 3 602 . 1 1 53 53 ALA HB3 H 1 1.498 0.012 . 1 . . . . A 53 ALA HB3 . 34077 3 603 . 1 1 53 53 ALA C C 13 180.924 0.020 . 1 . . . . A 53 ALA C . 34077 3 604 . 1 1 53 53 ALA CA C 13 55.095 0.022 . 1 . . . . A 53 ALA CA . 34077 3 605 . 1 1 53 53 ALA CB C 13 17.902 0.022 . 1 . . . . A 53 ALA CB . 34077 3 606 . 1 1 53 53 ALA N N 15 121.799 0.042 . 1 . . . . A 53 ALA N . 34077 3 607 . 1 1 54 54 ALA H H 1 7.978 0.006 . 1 . . . . A 54 ALA H . 34077 3 608 . 1 1 54 54 ALA HA H 1 4.076 0.007 . 1 . . . . A 54 ALA HA . 34077 3 609 . 1 1 54 54 ALA HB1 H 1 1.451 0.009 . 1 . . . . A 54 ALA HB1 . 34077 3 610 . 1 1 54 54 ALA HB2 H 1 1.451 0.009 . 1 . . . . A 54 ALA HB2 . 34077 3 611 . 1 1 54 54 ALA HB3 H 1 1.451 0.009 . 1 . . . . A 54 ALA HB3 . 34077 3 612 . 1 1 54 54 ALA C C 13 178.811 0.007 . 1 . . . . A 54 ALA C . 34077 3 613 . 1 1 54 54 ALA CA C 13 55.043 0.038 . 1 . . . . A 54 ALA CA . 34077 3 614 . 1 1 54 54 ALA CB C 13 20.694 0.044 . 1 . . . . A 54 ALA CB . 34077 3 615 . 1 1 54 54 ALA N N 15 121.170 0.068 . 1 . . . . A 54 ALA N . 34077 3 616 . 1 1 55 55 ALA H H 1 8.826 0.005 . 1 . . . . A 55 ALA H . 34077 3 617 . 1 1 55 55 ALA HA H 1 3.764 0.010 . 1 . . . . A 55 ALA HA . 34077 3 618 . 1 1 55 55 ALA HB1 H 1 1.378 0.011 . 1 . . . . A 55 ALA HB1 . 34077 3 619 . 1 1 55 55 ALA HB2 H 1 1.378 0.011 . 1 . . . . A 55 ALA HB2 . 34077 3 620 . 1 1 55 55 ALA HB3 H 1 1.378 0.011 . 1 . . . . A 55 ALA HB3 . 34077 3 621 . 1 1 55 55 ALA C C 13 178.423 0.002 . 1 . . . . A 55 ALA C . 34077 3 622 . 1 1 55 55 ALA CA C 13 54.955 0.048 . 1 . . . . A 55 ALA CA . 34077 3 623 . 1 1 55 55 ALA CB C 13 17.176 0.057 . 1 . . . . A 55 ALA CB . 34077 3 624 . 1 1 55 55 ALA N N 15 120.816 0.057 . 1 . . . . A 55 ALA N . 34077 3 625 . 1 1 56 56 SER H H 1 8.175 0.007 . 1 . . . . A 56 SER H . 34077 3 626 . 1 1 56 56 SER HA H 1 4.175 0.006 . 1 . . . . A 56 SER HA . 34077 3 627 . 1 1 56 56 SER HB2 H 1 3.998 0.012 . 2 . . . . A 56 SER HB2 . 34077 3 628 . 1 1 56 56 SER HB3 H 1 3.901 0.008 . 2 . . . . A 56 SER HB3 . 34077 3 629 . 1 1 56 56 SER HG H 1 5.195 0.001 . 1 . . . . A 56 SER HG . 34077 3 630 . 1 1 56 56 SER C C 13 176.863 0.003 . 1 . . . . A 56 SER C . 34077 3 631 . 1 1 56 56 SER CA C 13 61.313 0.060 . 1 . . . . A 56 SER CA . 34077 3 632 . 1 1 56 56 SER CB C 13 63.374 0.065 . 1 . . . . A 56 SER CB . 34077 3 633 . 1 1 56 56 SER N N 15 112.580 0.075 . 1 . . . . A 56 SER N . 34077 3 634 . 1 1 57 57 LYS H H 1 7.324 0.007 . 1 . . . . A 57 LYS H . 34077 3 635 . 1 1 57 57 LYS HA H 1 4.016 0.007 . 1 . . . . A 57 LYS HA . 34077 3 636 . 1 1 57 57 LYS HB2 H 1 1.892 0.010 . 1 . . . . A 57 LYS HB2 . 34077 3 637 . 1 1 57 57 LYS HG2 H 1 1.431 0.003 . 2 . . . . A 57 LYS HG2 . 34077 3 638 . 1 1 57 57 LYS HG3 H 1 1.253 0.004 . 2 . . . . A 57 LYS HG3 . 34077 3 639 . 1 1 57 57 LYS C C 13 178.974 0.019 . 1 . . . . A 57 LYS C . 34077 3 640 . 1 1 57 57 LYS CA C 13 59.218 0.032 . 1 . . . . A 57 LYS CA . 34077 3 641 . 1 1 57 57 LYS CB C 13 32.921 0.049 . 1 . . . . A 57 LYS CB . 34077 3 642 . 1 1 57 57 LYS CG C 13 24.627 0.010 . 1 . . . . A 57 LYS CG . 34077 3 643 . 1 1 57 57 LYS CD C 13 29.465 0.000 . 1 . . . . A 57 LYS CD . 34077 3 644 . 1 1 57 57 LYS CE C 13 42.129 0.000 . 1 . . . . A 57 LYS CE . 34077 3 645 . 1 1 57 57 LYS N N 15 119.904 0.069 . 1 . . . . A 57 LYS N . 34077 3 646 . 1 1 58 58 VAL H H 1 8.463 0.006 . 1 . . . . A 58 VAL H . 34077 3 647 . 1 1 58 58 VAL HA H 1 3.552 0.005 . 1 . . . . A 58 VAL HA . 34077 3 648 . 1 1 58 58 VAL HB H 1 1.656 0.007 . 1 . . . . A 58 VAL HB . 34077 3 649 . 1 1 58 58 VAL HG11 H 1 0.844 0.006 . 2 . . . . A 58 VAL HG11 . 34077 3 650 . 1 1 58 58 VAL HG12 H 1 0.844 0.006 . 2 . . . . A 58 VAL HG12 . 34077 3 651 . 1 1 58 58 VAL HG13 H 1 0.844 0.006 . 2 . . . . A 58 VAL HG13 . 34077 3 652 . 1 1 58 58 VAL HG21 H 1 0.841 0.005 . 2 . . . . A 58 VAL HG21 . 34077 3 653 . 1 1 58 58 VAL HG22 H 1 0.841 0.005 . 2 . . . . A 58 VAL HG22 . 34077 3 654 . 1 1 58 58 VAL HG23 H 1 0.841 0.005 . 2 . . . . A 58 VAL HG23 . 34077 3 655 . 1 1 58 58 VAL C C 13 177.827 0.004 . 1 . . . . A 58 VAL C . 34077 3 656 . 1 1 58 58 VAL CA C 13 66.045 0.016 . 1 . . . . A 58 VAL CA . 34077 3 657 . 1 1 58 58 VAL CB C 13 32.700 0.061 . 1 . . . . A 58 VAL CB . 34077 3 658 . 1 1 58 58 VAL CG1 C 13 22.553 0.010 . 2 . . . . A 58 VAL CG1 . 34077 3 659 . 1 1 58 58 VAL CG2 C 13 21.299 0.011 . 2 . . . . A 58 VAL CG2 . 34077 3 660 . 1 1 58 58 VAL N N 15 119.189 0.075 . 1 . . . . A 58 VAL N . 34077 3 661 . 1 1 59 59 LEU H H 1 8.431 0.005 . 1 . . . . A 59 LEU H . 34077 3 662 . 1 1 59 59 LEU HA H 1 4.002 0.008 . 1 . . . . A 59 LEU HA . 34077 3 663 . 1 1 59 59 LEU HB2 H 1 1.136 0.012 . 1 . . . . A 59 LEU HB2 . 34077 3 664 . 1 1 59 59 LEU HG H 1 1.553 0.012 . 1 . . . . A 59 LEU HG . 34077 3 665 . 1 1 59 59 LEU HD11 H 1 0.320 0.010 . 2 . . . . A 59 LEU HD11 . 34077 3 666 . 1 1 59 59 LEU HD12 H 1 0.320 0.010 . 2 . . . . A 59 LEU HD12 . 34077 3 667 . 1 1 59 59 LEU HD13 H 1 0.320 0.010 . 2 . . . . A 59 LEU HD13 . 34077 3 668 . 1 1 59 59 LEU HD21 H 1 0.032 0.006 . 2 . . . . A 59 LEU HD21 . 34077 3 669 . 1 1 59 59 LEU HD22 H 1 0.032 0.006 . 2 . . . . A 59 LEU HD22 . 34077 3 670 . 1 1 59 59 LEU HD23 H 1 0.032 0.006 . 2 . . . . A 59 LEU HD23 . 34077 3 671 . 1 1 59 59 LEU C C 13 176.340 0.005 . 1 . . . . A 59 LEU C . 34077 3 672 . 1 1 59 59 LEU CA C 13 54.634 0.040 . 1 . . . . A 59 LEU CA . 34077 3 673 . 1 1 59 59 LEU CB C 13 41.084 0.033 . 1 . . . . A 59 LEU CB . 34077 3 674 . 1 1 59 59 LEU CG C 13 26.245 0.066 . 1 . . . . A 59 LEU CG . 34077 3 675 . 1 1 59 59 LEU CD1 C 13 24.305 0.022 . 2 . . . . A 59 LEU CD1 . 34077 3 676 . 1 1 59 59 LEU CD2 C 13 21.128 0.095 . 2 . . . . A 59 LEU CD2 . 34077 3 677 . 1 1 59 59 LEU N N 15 114.856 0.050 . 1 . . . . A 59 LEU N . 34077 3 678 . 1 1 60 60 ASN H H 1 7.448 0.009 . 1 . . . . A 60 ASN H . 34077 3 679 . 1 1 60 60 ASN HA H 1 4.281 0.008 . 1 . . . . A 60 ASN HA . 34077 3 680 . 1 1 60 60 ASN HB2 H 1 3.128 0.004 . 2 . . . . A 60 ASN HB2 . 34077 3 681 . 1 1 60 60 ASN HB3 H 1 2.553 0.004 . 2 . . . . A 60 ASN HB3 . 34077 3 682 . 1 1 60 60 ASN HD21 H 1 7.410 0.007 . 1 . . . . A 60 ASN HD21 . 34077 3 683 . 1 1 60 60 ASN HD22 H 1 6.678 0.004 . 1 . . . . A 60 ASN HD22 . 34077 3 684 . 1 1 60 60 ASN C C 13 173.692 0.006 . 1 . . . . A 60 ASN C . 34077 3 685 . 1 1 60 60 ASN CA C 13 53.985 0.022 . 1 . . . . A 60 ASN CA . 34077 3 686 . 1 1 60 60 ASN CB C 13 36.942 0.063 . 1 . . . . A 60 ASN CB . 34077 3 687 . 1 1 60 60 ASN CG C 13 178.470 0.004 . 1 . . . . A 60 ASN CG . 34077 3 688 . 1 1 60 60 ASN N N 15 115.987 0.040 . 1 . . . . A 60 ASN N . 34077 3 689 . 1 1 60 60 ASN ND2 N 15 111.956 0.023 . 1 . . . . A 60 ASN ND2 . 34077 3 690 . 1 1 61 61 LEU H H 1 7.532 0.006 . 1 . . . . A 61 LEU H . 34077 3 691 . 1 1 61 61 LEU HA H 1 4.698 0.011 . 1 . . . . A 61 LEU HA . 34077 3 692 . 1 1 61 61 LEU HB2 H 1 1.330 0.006 . 2 . . . . A 61 LEU HB2 . 34077 3 693 . 1 1 61 61 LEU HB3 H 1 1.156 0.012 . 2 . . . . A 61 LEU HB3 . 34077 3 694 . 1 1 61 61 LEU HG H 1 1.432 0.012 . 1 . . . . A 61 LEU HG . 34077 3 695 . 1 1 61 61 LEU HD11 H 1 0.706 0.010 . 2 . . . . A 61 LEU HD11 . 34077 3 696 . 1 1 61 61 LEU HD12 H 1 0.706 0.010 . 2 . . . . A 61 LEU HD12 . 34077 3 697 . 1 1 61 61 LEU HD13 H 1 0.706 0.010 . 2 . . . . A 61 LEU HD13 . 34077 3 698 . 1 1 61 61 LEU HD21 H 1 0.845 0.010 . 2 . . . . A 61 LEU HD21 . 34077 3 699 . 1 1 61 61 LEU HD22 H 1 0.845 0.010 . 2 . . . . A 61 LEU HD22 . 34077 3 700 . 1 1 61 61 LEU HD23 H 1 0.845 0.010 . 2 . . . . A 61 LEU HD23 . 34077 3 701 . 1 1 61 61 LEU C C 13 176.106 0.004 . 1 . . . . A 61 LEU C . 34077 3 702 . 1 1 61 61 LEU CA C 13 52.623 0.031 . 1 . . . . A 61 LEU CA . 34077 3 703 . 1 1 61 61 LEU CB C 13 47.160 0.084 . 1 . . . . A 61 LEU CB . 34077 3 704 . 1 1 61 61 LEU CG C 13 26.043 0.027 . 1 . . . . A 61 LEU CG . 34077 3 705 . 1 1 61 61 LEU CD1 C 13 25.780 0.012 . 2 . . . . A 61 LEU CD1 . 34077 3 706 . 1 1 61 61 LEU CD2 C 13 23.167 0.050 . 2 . . . . A 61 LEU CD2 . 34077 3 707 . 1 1 61 61 LEU N N 15 117.212 0.050 . 1 . . . . A 61 LEU N . 34077 3 708 . 1 1 62 62 ASN H H 1 9.008 0.005 . 1 . . . . A 62 ASN H . 34077 3 709 . 1 1 62 62 ASN HA H 1 4.483 0.007 . 1 . . . . A 62 ASN HA . 34077 3 710 . 1 1 62 62 ASN HB2 H 1 2.908 0.013 . 2 . . . . A 62 ASN HB2 . 34077 3 711 . 1 1 62 62 ASN HB3 H 1 2.752 0.007 . 2 . . . . A 62 ASN HB3 . 34077 3 712 . 1 1 62 62 ASN HD21 H 1 7.046 0.003 . 1 . . . . A 62 ASN HD21 . 34077 3 713 . 1 1 62 62 ASN HD22 H 1 7.741 0.003 . 1 . . . . A 62 ASN HD22 . 34077 3 714 . 1 1 62 62 ASN C C 13 175.972 0.017 . 1 . . . . A 62 ASN C . 34077 3 715 . 1 1 62 62 ASN CA C 13 53.374 0.039 . 1 . . . . A 62 ASN CA . 34077 3 716 . 1 1 62 62 ASN CB C 13 39.480 0.062 . 1 . . . . A 62 ASN CB . 34077 3 717 . 1 1 62 62 ASN CG C 13 176.570 0.007 . 1 . . . . A 62 ASN CG . 34077 3 718 . 1 1 62 62 ASN N N 15 120.255 0.048 . 1 . . . . A 62 ASN N . 34077 3 719 . 1 1 62 62 ASN ND2 N 15 114.707 0.037 . 1 . . . . A 62 ASN ND2 . 34077 3 720 . 1 1 63 63 ALA H H 1 8.999 0.005 . 1 . . . . A 63 ALA H . 34077 3 721 . 1 1 63 63 ALA HA H 1 3.769 0.012 . 1 . . . . A 63 ALA HA . 34077 3 722 . 1 1 63 63 ALA HB1 H 1 1.372 0.009 . 1 . . . . A 63 ALA HB1 . 34077 3 723 . 1 1 63 63 ALA HB2 H 1 1.372 0.009 . 1 . . . . A 63 ALA HB2 . 34077 3 724 . 1 1 63 63 ALA HB3 H 1 1.372 0.009 . 1 . . . . A 63 ALA HB3 . 34077 3 725 . 1 1 63 63 ALA C C 13 178.818 0.016 . 1 . . . . A 63 ALA C . 34077 3 726 . 1 1 63 63 ALA CA C 13 56.101 0.069 . 1 . . . . A 63 ALA CA . 34077 3 727 . 1 1 63 63 ALA CB C 13 17.894 0.043 . 1 . . . . A 63 ALA CB . 34077 3 728 . 1 1 63 63 ALA N N 15 125.469 0.060 . 1 . . . . A 63 ALA N . 34077 3 729 . 1 1 64 64 GLY H H 1 8.471 0.003 . 1 . . . . A 64 GLY H . 34077 3 730 . 1 1 64 64 GLY HA2 H 1 3.791 0.009 . 2 . . . . A 64 GLY HA2 . 34077 3 731 . 1 1 64 64 GLY HA3 H 1 3.733 0.015 . 2 . . . . A 64 GLY HA3 . 34077 3 732 . 1 1 64 64 GLY C C 13 175.876 0.001 . 1 . . . . A 64 GLY C . 34077 3 733 . 1 1 64 64 GLY CA C 13 47.807 0.071 . 1 . . . . A 64 GLY CA . 34077 3 734 . 1 1 64 64 GLY N N 15 104.102 0.042 . 1 . . . . A 64 GLY N . 34077 3 735 . 1 1 65 65 GLU H H 1 7.316 0.008 . 1 . . . . A 65 GLU H . 34077 3 736 . 1 1 65 65 GLU HA H 1 3.998 0.006 . 1 . . . . A 65 GLU HA . 34077 3 737 . 1 1 65 65 GLU HB2 H 1 2.187 0.009 . 1 . . . . A 65 GLU HB2 . 34077 3 738 . 1 1 65 65 GLU HG2 H 1 2.005 0.003 . 1 . . . . A 65 GLU HG2 . 34077 3 739 . 1 1 65 65 GLU C C 13 179.959 0.011 . 1 . . . . A 65 GLU C . 34077 3 740 . 1 1 65 65 GLU CA C 13 59.174 0.035 . 1 . . . . A 65 GLU CA . 34077 3 741 . 1 1 65 65 GLU CB C 13 31.968 0.000 . 1 . . . . A 65 GLU CB . 34077 3 742 . 1 1 65 65 GLU N N 15 120.750 0.034 . 1 . . . . A 65 GLU N . 34077 3 743 . 1 1 66 66 ILE H H 1 7.696 0.007 . 1 . . . . A 66 ILE H . 34077 3 744 . 1 1 66 66 ILE HA H 1 3.700 0.006 . 1 . . . . A 66 ILE HA . 34077 3 745 . 1 1 66 66 ILE HB H 1 2.021 0.014 . 1 . . . . A 66 ILE HB . 34077 3 746 . 1 1 66 66 ILE HG12 H 1 1.415 0.011 . 2 . . . . A 66 ILE HG12 . 34077 3 747 . 1 1 66 66 ILE HG13 H 1 0.997 0.012 . 2 . . . . A 66 ILE HG13 . 34077 3 748 . 1 1 66 66 ILE HG21 H 1 0.713 0.005 . 1 . . . . A 66 ILE HG21 . 34077 3 749 . 1 1 66 66 ILE HG22 H 1 0.713 0.005 . 1 . . . . A 66 ILE HG22 . 34077 3 750 . 1 1 66 66 ILE HG23 H 1 0.713 0.005 . 1 . . . . A 66 ILE HG23 . 34077 3 751 . 1 1 66 66 ILE HD11 H 1 0.619 0.009 . 1 . . . . A 66 ILE HD11 . 34077 3 752 . 1 1 66 66 ILE HD12 H 1 0.619 0.009 . 1 . . . . A 66 ILE HD12 . 34077 3 753 . 1 1 66 66 ILE HD13 H 1 0.619 0.009 . 1 . . . . A 66 ILE HD13 . 34077 3 754 . 1 1 66 66 ILE C C 13 177.876 0.024 . 1 . . . . A 66 ILE C . 34077 3 755 . 1 1 66 66 ILE CA C 13 63.804 0.081 . 1 . . . . A 66 ILE CA . 34077 3 756 . 1 1 66 66 ILE CB C 13 36.642 0.104 . 1 . . . . A 66 ILE CB . 34077 3 757 . 1 1 66 66 ILE CG1 C 13 28.536 0.020 . 1 . . . . A 66 ILE CG1 . 34077 3 758 . 1 1 66 66 ILE CG2 C 13 16.790 0.055 . 1 . . . . A 66 ILE CG2 . 34077 3 759 . 1 1 66 66 ILE CD1 C 13 12.938 0.064 . 1 . . . . A 66 ILE CD1 . 34077 3 760 . 1 1 66 66 ILE N N 15 119.315 0.053 . 1 . . . . A 66 ILE N . 34077 3 761 . 1 1 67 67 LEU H H 1 8.822 0.005 . 1 . . . . A 67 LEU H . 34077 3 762 . 1 1 67 67 LEU HA H 1 3.981 0.011 . 1 . . . . A 67 LEU HA . 34077 3 763 . 1 1 67 67 LEU HD11 H 1 1.008 0.005 . 2 . . . . A 67 LEU HD11 . 34077 3 764 . 1 1 67 67 LEU HD12 H 1 1.008 0.005 . 2 . . . . A 67 LEU HD12 . 34077 3 765 . 1 1 67 67 LEU HD13 H 1 1.008 0.005 . 2 . . . . A 67 LEU HD13 . 34077 3 766 . 1 1 67 67 LEU HD21 H 1 0.733 0.014 . 2 . . . . A 67 LEU HD21 . 34077 3 767 . 1 1 67 67 LEU HD22 H 1 0.733 0.014 . 2 . . . . A 67 LEU HD22 . 34077 3 768 . 1 1 67 67 LEU HD23 H 1 0.733 0.014 . 2 . . . . A 67 LEU HD23 . 34077 3 769 . 1 1 67 67 LEU C C 13 179.050 0.011 . 1 . . . . A 67 LEU C . 34077 3 770 . 1 1 67 67 LEU CA C 13 58.517 0.047 . 1 . . . . A 67 LEU CA . 34077 3 771 . 1 1 67 67 LEU CB C 13 42.366 0.021 . 1 . . . . A 67 LEU CB . 34077 3 772 . 1 1 67 67 LEU CD1 C 13 26.197 0.036 . 2 . . . . A 67 LEU CD1 . 34077 3 773 . 1 1 67 67 LEU CD2 C 13 23.384 0.021 . 2 . . . . A 67 LEU CD2 . 34077 3 774 . 1 1 67 67 LEU N N 15 119.988 0.044 . 1 . . . . A 67 LEU N . 34077 3 775 . 1 1 68 68 GLN H H 1 8.093 0.005 . 1 . . . . A 68 GLN H . 34077 3 776 . 1 1 68 68 GLN HA H 1 4.128 0.004 . 1 . . . . A 68 GLN HA . 34077 3 777 . 1 1 68 68 GLN HG2 H 1 2.880 0.007 . 2 . . . . A 68 GLN HG2 . 34077 3 778 . 1 1 68 68 GLN HG3 H 1 2.532 0.004 . 2 . . . . A 68 GLN HG3 . 34077 3 779 . 1 1 68 68 GLN HE21 H 1 7.998 0.003 . 1 . . . . A 68 GLN HE21 . 34077 3 780 . 1 1 68 68 GLN HE22 H 1 6.774 0.002 . 1 . . . . A 68 GLN HE22 . 34077 3 781 . 1 1 68 68 GLN C C 13 179.987 0.024 . 1 . . . . A 68 GLN C . 34077 3 782 . 1 1 68 68 GLN CA C 13 60.657 0.049 . 1 . . . . A 68 GLN CA . 34077 3 783 . 1 1 68 68 GLN CB C 13 26.924 0.042 . 1 . . . . A 68 GLN CB . 34077 3 784 . 1 1 68 68 GLN CG C 13 35.282 0.076 . 1 . . . . A 68 GLN CG . 34077 3 785 . 1 1 68 68 GLN CD C 13 179.572 0.024 . 1 . . . . A 68 GLN CD . 34077 3 786 . 1 1 68 68 GLN N N 15 119.251 0.075 . 1 . . . . A 68 GLN N . 34077 3 787 . 1 1 68 68 GLN NE2 N 15 110.992 0.041 . 1 . . . . A 68 GLN NE2 . 34077 3 788 . 1 1 69 69 MET H H 1 8.087 0.003 . 1 . . . . A 69 MET H . 34077 3 789 . 1 1 69 69 MET HA H 1 4.007 0.005 . 1 . . . . A 69 MET HA . 34077 3 790 . 1 1 69 69 MET HB2 H 1 2.165 0.015 . 2 . . . . A 69 MET HB2 . 34077 3 791 . 1 1 69 69 MET HB3 H 1 2.329 0.003 . 2 . . . . A 69 MET HB3 . 34077 3 792 . 1 1 69 69 MET HG2 H 1 2.552 0.010 . 2 . . . . A 69 MET HG2 . 34077 3 793 . 1 1 69 69 MET HG3 H 1 2.785 0.008 . 2 . . . . A 69 MET HG3 . 34077 3 794 . 1 1 69 69 MET HE1 H 1 2.042 0.006 . 1 . . . . A 69 MET HE1 . 34077 3 795 . 1 1 69 69 MET HE2 H 1 2.042 0.006 . 1 . . . . A 69 MET HE2 . 34077 3 796 . 1 1 69 69 MET HE3 H 1 2.042 0.006 . 1 . . . . A 69 MET HE3 . 34077 3 797 . 1 1 69 69 MET C C 13 178.787 0.000 . 1 . . . . A 69 MET C . 34077 3 798 . 1 1 69 69 MET CA C 13 59.565 0.063 . 1 . . . . A 69 MET CA . 34077 3 799 . 1 1 69 69 MET CB C 13 33.879 0.093 . 1 . . . . A 69 MET CB . 34077 3 800 . 1 1 69 69 MET CG C 13 31.610 0.055 . 1 . . . . A 69 MET CG . 34077 3 801 . 1 1 69 69 MET CE C 13 16.289 0.050 . 1 . . . . A 69 MET CE . 34077 3 802 . 1 1 69 69 MET N N 15 120.977 0.055 . 1 . . . . A 69 MET N . 34077 3 803 . 1 1 70 70 PHE H H 1 9.170 0.005 . 1 . . . . A 70 PHE H . 34077 3 804 . 1 1 70 70 PHE HA H 1 4.151 0.013 . 1 . . . . A 70 PHE HA . 34077 3 805 . 1 1 70 70 PHE HB2 H 1 3.088 0.011 . 1 . . . . A 70 PHE HB2 . 34077 3 806 . 1 1 70 70 PHE HD1 H 1 6.964 0.008 . 1 . . . . A 70 PHE HD1 . 34077 3 807 . 1 1 70 70 PHE HD2 H 1 6.964 0.008 . 1 . . . . A 70 PHE HD2 . 34077 3 808 . 1 1 70 70 PHE HE1 H 1 6.845 0.009 . 1 . . . . A 70 PHE HE1 . 34077 3 809 . 1 1 70 70 PHE HE2 H 1 6.845 0.009 . 1 . . . . A 70 PHE HE2 . 34077 3 810 . 1 1 70 70 PHE C C 13 177.223 0.000 . 1 . . . . A 70 PHE C . 34077 3 811 . 1 1 70 70 PHE CA C 13 59.020 0.072 . 1 . . . . A 70 PHE CA . 34077 3 812 . 1 1 70 70 PHE CB C 13 38.060 0.009 . 1 . . . . A 70 PHE CB . 34077 3 813 . 1 1 70 70 PHE N N 15 122.351 0.047 . 1 . . . . A 70 PHE N . 34077 3 814 . 1 1 71 71 GLY H H 1 8.521 0.004 . 1 . . . . A 71 GLY H . 34077 3 815 . 1 1 71 71 GLY HA2 H 1 3.932 0.009 . 2 . . . . A 71 GLY HA2 . 34077 3 816 . 1 1 71 71 GLY HA3 H 1 3.416 0.013 . 2 . . . . A 71 GLY HA3 . 34077 3 817 . 1 1 71 71 GLY C C 13 173.754 0.046 . 1 . . . . A 71 GLY C . 34077 3 818 . 1 1 71 71 GLY CA C 13 48.453 0.051 . 1 . . . . A 71 GLY CA . 34077 3 819 . 1 1 71 71 GLY N N 15 108.038 0.056 . 1 . . . . A 71 GLY N . 34077 3 820 . 1 1 72 72 LYS H H 1 7.439 0.005 . 1 . . . . A 72 LYS H . 34077 3 821 . 1 1 72 72 LYS HA H 1 4.014 0.008 . 1 . . . . A 72 LYS HA . 34077 3 822 . 1 1 72 72 LYS C C 13 178.269 0.009 . 1 . . . . A 72 LYS C . 34077 3 823 . 1 1 72 72 LYS CA C 13 59.994 0.064 . 1 . . . . A 72 LYS CA . 34077 3 824 . 1 1 72 72 LYS CB C 13 31.738 0.044 . 1 . . . . A 72 LYS CB . 34077 3 825 . 1 1 72 72 LYS N N 15 121.046 0.042 . 1 . . . . A 72 LYS N . 34077 3 826 . 1 1 73 73 MET H H 1 8.067 0.005 . 1 . . . . A 73 MET H . 34077 3 827 . 1 1 73 73 MET HA H 1 4.407 0.006 . 1 . . . . A 73 MET HA . 34077 3 828 . 1 1 73 73 MET HE1 H 1 1.963 0.005 . 1 . . . . A 73 MET HE1 . 34077 3 829 . 1 1 73 73 MET HE2 H 1 1.963 0.005 . 1 . . . . A 73 MET HE2 . 34077 3 830 . 1 1 73 73 MET HE3 H 1 1.963 0.005 . 1 . . . . A 73 MET HE3 . 34077 3 831 . 1 1 73 73 MET C C 13 177.562 0.000 . 1 . . . . A 73 MET C . 34077 3 832 . 1 1 73 73 MET CA C 13 56.342 0.102 . 1 . . . . A 73 MET CA . 34077 3 833 . 1 1 73 73 MET CB C 13 32.270 0.000 . 1 . . . . A 73 MET CB . 34077 3 834 . 1 1 73 73 MET CE C 13 18.098 0.040 . 1 . . . . A 73 MET CE . 34077 3 835 . 1 1 73 73 MET N N 15 117.661 0.051 . 1 . . . . A 73 MET N . 34077 3 836 . 1 1 74 74 PHE H H 1 9.282 0.004 . 1 . . . . A 74 PHE H . 34077 3 837 . 1 1 74 74 PHE HA H 1 3.987 0.001 . 1 . . . . A 74 PHE HA . 34077 3 838 . 1 1 74 74 PHE HB2 H 1 3.063 0.005 . 2 . . . . A 74 PHE HB2 . 34077 3 839 . 1 1 74 74 PHE HB3 H 1 2.613 0.013 . 2 . . . . A 74 PHE HB3 . 34077 3 840 . 1 1 74 74 PHE HD1 H 1 6.859 0.003 . 1 . . . . A 74 PHE HD1 . 34077 3 841 . 1 1 74 74 PHE HD2 H 1 6.859 0.003 . 1 . . . . A 74 PHE HD2 . 34077 3 842 . 1 1 74 74 PHE C C 13 177.262 0.000 . 1 . . . . A 74 PHE C . 34077 3 843 . 1 1 74 74 PHE CA C 13 62.139 0.119 . 1 . . . . A 74 PHE CA . 34077 3 844 . 1 1 74 74 PHE CB C 13 38.564 0.077 . 1 . . . . A 74 PHE CB . 34077 3 845 . 1 1 74 74 PHE N N 15 121.213 0.053 . 1 . . . . A 74 PHE N . 34077 3 846 . 1 1 75 75 PHE H H 1 7.875 0.003 . 1 . . . . A 75 PHE H . 34077 3 847 . 1 1 75 75 PHE HA H 1 3.770 0.005 . 1 . . . . A 75 PHE HA . 34077 3 848 . 1 1 75 75 PHE HB2 H 1 3.410 0.002 . 2 . . . . A 75 PHE HB2 . 34077 3 849 . 1 1 75 75 PHE HB3 H 1 2.904 0.004 . 2 . . . . A 75 PHE HB3 . 34077 3 850 . 1 1 75 75 PHE HE1 H 1 6.984 0.009 . 1 . . . . A 75 PHE HE1 . 34077 3 851 . 1 1 75 75 PHE HE2 H 1 6.984 0.009 . 1 . . . . A 75 PHE HE2 . 34077 3 852 . 1 1 75 75 PHE C C 13 176.102 0.000 . 1 . . . . A 75 PHE C . 34077 3 853 . 1 1 75 75 PHE CA C 13 62.864 0.054 . 1 . . . . A 75 PHE CA . 34077 3 854 . 1 1 75 75 PHE CB C 13 38.509 0.021 . 1 . . . . A 75 PHE CB . 34077 3 855 . 1 1 75 75 PHE N N 15 119.311 0.107 . 1 . . . . A 75 PHE N . 34077 3 856 . 1 1 76 76 VAL H H 1 8.034 0.007 . 1 . . . . A 76 VAL H . 34077 3 857 . 1 1 76 76 VAL HA H 1 3.463 0.007 . 1 . . . . A 76 VAL HA . 34077 3 858 . 1 1 76 76 VAL HB H 1 2.301 0.002 . 1 . . . . A 76 VAL HB . 34077 3 859 . 1 1 76 76 VAL HG11 H 1 1.131 0.003 . 2 . . . . A 76 VAL HG11 . 34077 3 860 . 1 1 76 76 VAL HG12 H 1 1.131 0.003 . 2 . . . . A 76 VAL HG12 . 34077 3 861 . 1 1 76 76 VAL HG13 H 1 1.131 0.003 . 2 . . . . A 76 VAL HG13 . 34077 3 862 . 1 1 76 76 VAL HG21 H 1 0.862 0.006 . 2 . . . . A 76 VAL HG21 . 34077 3 863 . 1 1 76 76 VAL HG22 H 1 0.862 0.006 . 2 . . . . A 76 VAL HG22 . 34077 3 864 . 1 1 76 76 VAL HG23 H 1 0.862 0.006 . 2 . . . . A 76 VAL HG23 . 34077 3 865 . 1 1 76 76 VAL C C 13 178.227 0.002 . 1 . . . . A 76 VAL C . 34077 3 866 . 1 1 76 76 VAL CA C 13 66.717 0.021 . 1 . . . . A 76 VAL CA . 34077 3 867 . 1 1 76 76 VAL CB C 13 31.345 0.016 . 1 . . . . A 76 VAL CB . 34077 3 868 . 1 1 76 76 VAL CG1 C 13 22.427 0.034 . 2 . . . . A 76 VAL CG1 . 34077 3 869 . 1 1 76 76 VAL CG2 C 13 21.009 0.006 . 2 . . . . A 76 VAL CG2 . 34077 3 870 . 1 1 76 76 VAL N N 15 121.422 0.052 . 1 . . . . A 76 VAL N . 34077 3 871 . 1 1 77 77 PHE H H 1 8.954 0.004 . 1 . . . . A 77 PHE H . 34077 3 872 . 1 1 77 77 PHE HA H 1 4.361 0.002 . 1 . . . . A 77 PHE HA . 34077 3 873 . 1 1 77 77 PHE HB2 H 1 3.001 0.003 . 1 . . . . A 77 PHE HB2 . 34077 3 874 . 1 1 77 77 PHE HD1 H 1 7.055 0.006 . 1 . . . . A 77 PHE HD1 . 34077 3 875 . 1 1 77 77 PHE HD2 H 1 7.055 0.006 . 1 . . . . A 77 PHE HD2 . 34077 3 876 . 1 1 77 77 PHE HE1 H 1 7.178 0.004 . 1 . . . . A 77 PHE HE1 . 34077 3 877 . 1 1 77 77 PHE HE2 H 1 7.178 0.004 . 1 . . . . A 77 PHE HE2 . 34077 3 878 . 1 1 77 77 PHE C C 13 179.099 0.000 . 1 . . . . A 77 PHE C . 34077 3 879 . 1 1 77 77 PHE CA C 13 59.638 0.048 . 1 . . . . A 77 PHE CA . 34077 3 880 . 1 1 77 77 PHE CB C 13 39.136 0.000 . 1 . . . . A 77 PHE CB . 34077 3 881 . 1 1 77 77 PHE N N 15 120.349 0.034 . 1 . . . . A 77 PHE N . 34077 3 882 . 1 1 78 78 CYS H H 1 8.212 0.006 . 1 . . . . A 78 CYS H . 34077 3 883 . 1 1 78 78 CYS HA H 1 3.495 0.008 . 1 . . . . A 78 CYS HA . 34077 3 884 . 1 1 78 78 CYS HB2 H 1 2.855 0.012 . 2 . . . . A 78 CYS HB2 . 34077 3 885 . 1 1 78 78 CYS HB3 H 1 1.967 0.003 . 2 . . . . A 78 CYS HB3 . 34077 3 886 . 1 1 78 78 CYS C C 13 177.000 0.000 . 1 . . . . A 78 CYS C . 34077 3 887 . 1 1 78 78 CYS CA C 13 64.902 0.074 . 1 . . . . A 78 CYS CA . 34077 3 888 . 1 1 78 78 CYS CB C 13 25.605 0.071 . 1 . . . . A 78 CYS CB . 34077 3 889 . 1 1 78 78 CYS N N 15 120.628 0.063 . 1 . . . . A 78 CYS N . 34077 3 890 . 1 1 79 79 GLN H H 1 7.949 0.006 . 1 . . . . A 79 GLN H . 34077 3 891 . 1 1 79 79 GLN HA H 1 3.619 0.004 . 1 . . . . A 79 GLN HA . 34077 3 892 . 1 1 79 79 GLN HB2 H 1 1.846 0.011 . 2 . . . . A 79 GLN HB2 . 34077 3 893 . 1 1 79 79 GLN HB3 H 1 1.801 0.001 . 2 . . . . A 79 GLN HB3 . 34077 3 894 . 1 1 79 79 GLN C C 13 179.315 0.000 . 1 . . . . A 79 GLN C . 34077 3 895 . 1 1 79 79 GLN CA C 13 59.588 0.101 . 1 . . . . A 79 GLN CA . 34077 3 896 . 1 1 79 79 GLN CB C 13 28.882 0.044 . 1 . . . . A 79 GLN CB . 34077 3 897 . 1 1 79 79 GLN CG C 13 34.260 0.000 . 1 . . . . A 79 GLN CG . 34077 3 898 . 1 1 79 79 GLN N N 15 120.558 0.040 . 1 . . . . A 79 GLN N . 34077 3 899 . 1 1 80 80 GLU H H 1 8.549 0.008 . 1 . . . . A 80 GLU H . 34077 3 900 . 1 1 80 80 GLU HA H 1 3.896 0.005 . 1 . . . . A 80 GLU HA . 34077 3 901 . 1 1 80 80 GLU HB2 H 1 2.005 0.001 . 2 . . . . A 80 GLU HB2 . 34077 3 902 . 1 1 80 80 GLU HB3 H 1 2.211 0.009 . 2 . . . . A 80 GLU HB3 . 34077 3 903 . 1 1 80 80 GLU HG2 H 1 2.534 0.002 . 1 . . . . A 80 GLU HG2 . 34077 3 904 . 1 1 80 80 GLU C C 13 178.291 0.000 . 1 . . . . A 80 GLU C . 34077 3 905 . 1 1 80 80 GLU CA C 13 58.746 0.102 . 1 . . . . A 80 GLU CA . 34077 3 906 . 1 1 80 80 GLU CB C 13 29.916 0.060 . 1 . . . . A 80 GLU CB . 34077 3 907 . 1 1 80 80 GLU N N 15 119.823 0.088 . 1 . . . . A 80 GLU N . 34077 3 908 . 1 1 81 81 SER H H 1 7.312 0.007 . 1 . . . . A 81 SER H . 34077 3 909 . 1 1 81 81 SER HA H 1 4.333 0.006 . 1 . . . . A 81 SER HA . 34077 3 910 . 1 1 81 81 SER HB2 H 1 3.620 0.005 . 2 . . . . A 81 SER HB2 . 34077 3 911 . 1 1 81 81 SER HB3 H 1 3.374 0.004 . 2 . . . . A 81 SER HB3 . 34077 3 912 . 1 1 81 81 SER C C 13 173.323 0.000 . 1 . . . . A 81 SER C . 34077 3 913 . 1 1 81 81 SER CA C 13 58.381 0.065 . 1 . . . . A 81 SER CA . 34077 3 914 . 1 1 81 81 SER CB C 13 63.858 0.033 . 1 . . . . A 81 SER CB . 34077 3 915 . 1 1 81 81 SER N N 15 111.382 0.042 . 1 . . . . A 81 SER N . 34077 3 916 . 1 1 82 82 GLY H H 1 7.373 0.009 . 1 . . . . A 82 GLY H . 34077 3 917 . 1 1 82 82 GLY HA2 H 1 3.936 0.000 . 2 . . . . A 82 GLY HA2 . 34077 3 918 . 1 1 82 82 GLY HA3 H 1 3.736 0.001 . 2 . . . . A 82 GLY HA3 . 34077 3 919 . 1 1 82 82 GLY C C 13 175.363 0.000 . 1 . . . . A 82 GLY C . 34077 3 920 . 1 1 82 82 GLY CA C 13 45.520 0.000 . 1 . . . . A 82 GLY CA . 34077 3 921 . 1 1 82 82 GLY N N 15 106.642 0.090 . 1 . . . . A 82 GLY N . 34077 3 922 . 1 1 83 83 TYR H H 1 7.962 0.002 . 1 . . . . A 83 TYR H . 34077 3 923 . 1 1 83 83 TYR HD1 H 1 6.525 0.005 . 1 . . . . A 83 TYR HD1 . 34077 3 924 . 1 1 83 83 TYR HD2 H 1 6.525 0.005 . 1 . . . . A 83 TYR HD2 . 34077 3 925 . 1 1 83 83 TYR CD1 C 13 131.867 0.000 . 1 . . . . A 83 TYR CD1 . 34077 3 926 . 1 1 83 83 TYR CD2 C 13 131.867 0.000 . 1 . . . . A 83 TYR CD2 . 34077 3 927 . 1 1 83 83 TYR N N 15 117.203 0.003 . 1 . . . . A 83 TYR N . 34077 3 928 . 1 1 84 84 ASP H H 1 8.789 0.007 . 1 . . . . A 84 ASP H . 34077 3 929 . 1 1 84 84 ASP HA H 1 4.530 0.000 . 1 . . . . A 84 ASP HA . 34077 3 930 . 1 1 84 84 ASP HB2 H 1 2.250 0.011 . 2 . . . . A 84 ASP HB2 . 34077 3 931 . 1 1 84 84 ASP HB3 H 1 2.585 0.000 . 2 . . . . A 84 ASP HB3 . 34077 3 932 . 1 1 84 84 ASP N N 15 118.651 0.059 . 1 . . . . A 84 ASP N . 34077 3 933 . 1 1 85 85 THR HA H 1 4.704 0.000 . 1 . . . . A 85 THR HA . 34077 3 934 . 1 1 85 85 THR HB H 1 4.057 0.002 . 1 . . . . A 85 THR HB . 34077 3 935 . 1 1 85 85 THR HG21 H 1 1.115 0.003 . 1 . . . . A 85 THR HG21 . 34077 3 936 . 1 1 85 85 THR HG22 H 1 1.115 0.003 . 1 . . . . A 85 THR HG22 . 34077 3 937 . 1 1 85 85 THR HG23 H 1 1.115 0.003 . 1 . . . . A 85 THR HG23 . 34077 3 938 . 1 1 85 85 THR CA C 13 66.416 0.003 . 1 . . . . A 85 THR CA . 34077 3 939 . 1 1 85 85 THR CB C 13 67.983 0.003 . 1 . . . . A 85 THR CB . 34077 3 940 . 1 1 85 85 THR CG2 C 13 22.370 0.004 . 1 . . . . A 85 THR CG2 . 34077 3 941 . 1 1 89 89 VAL H H 1 7.661 0.007 . 1 . . . . A 89 VAL H . 34077 3 942 . 1 1 89 89 VAL HA H 1 4.070 0.008 . 1 . . . . A 89 VAL HA . 34077 3 943 . 1 1 89 89 VAL HB H 1 2.240 0.003 . 1 . . . . A 89 VAL HB . 34077 3 944 . 1 1 89 89 VAL HG11 H 1 0.854 0.005 . 1 . . . . A 89 VAL HG11 . 34077 3 945 . 1 1 89 89 VAL HG12 H 1 0.854 0.005 . 1 . . . . A 89 VAL HG12 . 34077 3 946 . 1 1 89 89 VAL HG13 H 1 0.854 0.005 . 1 . . . . A 89 VAL HG13 . 34077 3 947 . 1 1 89 89 VAL CA C 13 62.609 0.002 . 1 . . . . A 89 VAL CA . 34077 3 948 . 1 1 89 89 VAL CB C 13 31.481 0.001 . 1 . . . . A 89 VAL CB . 34077 3 949 . 1 1 89 89 VAL CG1 C 13 20.663 0.015 . 1 . . . . A 89 VAL CG1 . 34077 3 950 . 1 1 89 89 VAL N N 15 111.571 0.106 . 1 . . . . A 89 VAL N . 34077 3 951 . 1 1 90 90 LEU HA H 1 4.006 0.010 . 1 . . . . A 90 LEU HA . 34077 3 952 . 1 1 90 90 LEU HB2 H 1 1.950 0.003 . 1 . . . . A 90 LEU HB2 . 34077 3 953 . 1 1 90 90 LEU HD11 H 1 1.053 0.002 . 2 . . . . A 90 LEU HD11 . 34077 3 954 . 1 1 90 90 LEU HD12 H 1 1.053 0.002 . 2 . . . . A 90 LEU HD12 . 34077 3 955 . 1 1 90 90 LEU HD13 H 1 1.053 0.002 . 2 . . . . A 90 LEU HD13 . 34077 3 956 . 1 1 90 90 LEU HD21 H 1 1.184 0.006 . 2 . . . . A 90 LEU HD21 . 34077 3 957 . 1 1 90 90 LEU HD22 H 1 1.184 0.006 . 2 . . . . A 90 LEU HD22 . 34077 3 958 . 1 1 90 90 LEU HD23 H 1 1.184 0.006 . 2 . . . . A 90 LEU HD23 . 34077 3 959 . 1 1 90 90 LEU C C 13 176.454 0.000 . 1 . . . . A 90 LEU C . 34077 3 960 . 1 1 90 90 LEU CA C 13 56.619 0.027 . 1 . . . . A 90 LEU CA . 34077 3 961 . 1 1 90 90 LEU CB C 13 42.401 0.028 . 1 . . . . A 90 LEU CB . 34077 3 962 . 1 1 90 90 LEU CD1 C 13 25.510 0.035 . 2 . . . . A 90 LEU CD1 . 34077 3 963 . 1 1 90 90 LEU CD2 C 13 23.333 0.065 . 2 . . . . A 90 LEU CD2 . 34077 3 964 . 1 1 91 91 GLY H H 1 7.384 0.013 . 1 . . . . A 91 GLY H . 34077 3 965 . 1 1 91 91 GLY C C 13 172.932 0.027 . 1 . . . . A 91 GLY C . 34077 3 966 . 1 1 91 91 GLY CA C 13 45.911 0.082 . 1 . . . . A 91 GLY CA . 34077 3 967 . 1 1 91 91 GLY N N 15 100.490 0.044 . 1 . . . . A 91 GLY N . 34077 3 968 . 1 1 92 92 SER H H 1 9.185 0.004 . 1 . . . . A 92 SER H . 34077 3 969 . 1 1 92 92 SER HA H 1 4.669 0.010 . 1 . . . . A 92 SER HA . 34077 3 970 . 1 1 92 92 SER HB2 H 1 3.964 0.005 . 2 . . . . A 92 SER HB2 . 34077 3 971 . 1 1 92 92 SER HB3 H 1 3.897 0.016 . 2 . . . . A 92 SER HB3 . 34077 3 972 . 1 1 92 92 SER C C 13 172.923 0.000 . 1 . . . . A 92 SER C . 34077 3 973 . 1 1 92 92 SER CA C 13 58.952 0.079 . 1 . . . . A 92 SER CA . 34077 3 974 . 1 1 92 92 SER CB C 13 64.283 0.024 . 1 . . . . A 92 SER CB . 34077 3 975 . 1 1 92 92 SER N N 15 116.341 0.037 . 1 . . . . A 92 SER N . 34077 3 976 . 1 1 93 93 ASN H H 1 7.501 0.003 . 1 . . . . A 93 ASN H . 34077 3 977 . 1 1 93 93 ASN HA H 1 4.194 0.014 . 1 . . . . A 93 ASN HA . 34077 3 978 . 1 1 93 93 ASN HB2 H 1 2.975 0.019 . 2 . . . . A 93 ASN HB2 . 34077 3 979 . 1 1 93 93 ASN HB3 H 1 2.988 0.021 . 2 . . . . A 93 ASN HB3 . 34077 3 980 . 1 1 93 93 ASN HD21 H 1 7.281 0.006 . 1 . . . . A 93 ASN HD21 . 34077 3 981 . 1 1 93 93 ASN HD22 H 1 6.579 0.005 . 1 . . . . A 93 ASN HD22 . 34077 3 982 . 1 1 93 93 ASN C C 13 173.889 0.027 . 1 . . . . A 93 ASN C . 34077 3 983 . 1 1 93 93 ASN CA C 13 51.210 0.111 . 1 . . . . A 93 ASN CA . 34077 3 984 . 1 1 93 93 ASN CB C 13 39.668 0.068 . 1 . . . . A 93 ASN CB . 34077 3 985 . 1 1 93 93 ASN CG C 13 175.359 0.035 . 1 . . . . A 93 ASN CG . 34077 3 986 . 1 1 93 93 ASN N N 15 115.517 0.055 . 1 . . . . A 93 ASN N . 34077 3 987 . 1 1 93 93 ASN ND2 N 15 113.519 0.077 . 1 . . . . A 93 ASN ND2 . 34077 3 988 . 1 1 94 94 VAL H H 1 8.397 0.010 . 1 . . . . A 94 VAL H . 34077 3 989 . 1 1 94 94 VAL HA H 1 3.015 0.009 . 1 . . . . A 94 VAL HA . 34077 3 990 . 1 1 94 94 VAL HB H 1 1.828 0.008 . 1 . . . . A 94 VAL HB . 34077 3 991 . 1 1 94 94 VAL HG11 H 1 0.794 0.008 . 2 . . . . A 94 VAL HG11 . 34077 3 992 . 1 1 94 94 VAL HG12 H 1 0.794 0.008 . 2 . . . . A 94 VAL HG12 . 34077 3 993 . 1 1 94 94 VAL HG13 H 1 0.794 0.008 . 2 . . . . A 94 VAL HG13 . 34077 3 994 . 1 1 94 94 VAL HG21 H 1 0.679 0.005 . 2 . . . . A 94 VAL HG21 . 34077 3 995 . 1 1 94 94 VAL HG22 H 1 0.679 0.005 . 2 . . . . A 94 VAL HG22 . 34077 3 996 . 1 1 94 94 VAL HG23 H 1 0.679 0.005 . 2 . . . . A 94 VAL HG23 . 34077 3 997 . 1 1 94 94 VAL C C 13 175.644 0.005 . 1 . . . . A 94 VAL C . 34077 3 998 . 1 1 94 94 VAL CA C 13 66.635 0.078 . 1 . . . . A 94 VAL CA . 34077 3 999 . 1 1 94 94 VAL CB C 13 31.260 0.094 . 1 . . . . A 94 VAL CB . 34077 3 1000 . 1 1 94 94 VAL CG1 C 13 23.584 0.057 . 2 . . . . A 94 VAL CG1 . 34077 3 1001 . 1 1 94 94 VAL CG2 C 13 20.429 0.010 . 2 . . . . A 94 VAL CG2 . 34077 3 1002 . 1 1 94 94 VAL N N 15 118.372 0.096 . 1 . . . . A 94 VAL N . 34077 3 1003 . 1 1 95 95 ARG H H 1 8.064 0.004 . 1 . . . . A 95 ARG H . 34077 3 1004 . 1 1 95 95 ARG HA H 1 3.684 0.008 . 1 . . . . A 95 ARG HA . 34077 3 1005 . 1 1 95 95 ARG HB2 H 1 1.703 0.013 . 1 . . . . A 95 ARG HB2 . 34077 3 1006 . 1 1 95 95 ARG HG2 H 1 1.491 0.015 . 2 . . . . A 95 ARG HG2 . 34077 3 1007 . 1 1 95 95 ARG HG3 H 1 1.389 0.007 . 2 . . . . A 95 ARG HG3 . 34077 3 1008 . 1 1 95 95 ARG HD3 H 1 3.113 0.007 . 1 . . . . A 95 ARG HD3 . 34077 3 1009 . 1 1 95 95 ARG C C 13 177.548 0.003 . 1 . . . . A 95 ARG C . 34077 3 1010 . 1 1 95 95 ARG CA C 13 60.455 0.048 . 1 . . . . A 95 ARG CA . 34077 3 1011 . 1 1 95 95 ARG CB C 13 29.648 0.094 . 1 . . . . A 95 ARG CB . 34077 3 1012 . 1 1 95 95 ARG CG C 13 28.065 0.019 . 1 . . . . A 95 ARG CG . 34077 3 1013 . 1 1 95 95 ARG CD C 13 43.292 0.046 . 1 . . . . A 95 ARG CD . 34077 3 1014 . 1 1 95 95 ARG N N 15 120.306 0.051 . 1 . . . . A 95 ARG N . 34077 3 1015 . 1 1 96 96 GLU H H 1 8.255 0.004 . 1 . . . . A 96 GLU H . 34077 3 1016 . 1 1 96 96 GLU HA H 1 3.868 0.008 . 1 . . . . A 96 GLU HA . 34077 3 1017 . 1 1 96 96 GLU HB2 H 1 1.967 0.010 . 2 . . . . A 96 GLU HB2 . 34077 3 1018 . 1 1 96 96 GLU HB3 H 1 1.810 0.004 . 2 . . . . A 96 GLU HB3 . 34077 3 1019 . 1 1 96 96 GLU HG2 H 1 2.340 0.003 . 2 . . . . A 96 GLU HG2 . 34077 3 1020 . 1 1 96 96 GLU HG3 H 1 2.449 0.003 . 2 . . . . A 96 GLU HG3 . 34077 3 1021 . 1 1 96 96 GLU C C 13 177.924 0.005 . 1 . . . . A 96 GLU C . 34077 3 1022 . 1 1 96 96 GLU CA C 13 59.280 0.029 . 1 . . . . A 96 GLU CA . 34077 3 1023 . 1 1 96 96 GLU CB C 13 30.916 0.011 . 1 . . . . A 96 GLU CB . 34077 3 1024 . 1 1 96 96 GLU CG C 13 36.536 0.000 . 1 . . . . A 96 GLU CG . 34077 3 1025 . 1 1 96 96 GLU N N 15 117.885 0.066 . 1 . . . . A 96 GLU N . 34077 3 1026 . 1 1 97 97 PHE H H 1 7.737 0.006 . 1 . . . . A 97 PHE H . 34077 3 1027 . 1 1 97 97 PHE C C 13 175.628 0.000 . 1 . . . . A 97 PHE C . 34077 3 1028 . 1 1 97 97 PHE CA C 13 61.127 0.148 . 1 . . . . A 97 PHE CA . 34077 3 1029 . 1 1 97 97 PHE N N 15 117.744 0.059 . 1 . . . . A 97 PHE N . 34077 3 1030 . 1 1 98 98 LEU H H 1 7.967 0.008 . 1 . . . . A 98 LEU H . 34077 3 1031 . 1 1 98 98 LEU HA H 1 3.513 0.009 . 1 . . . . A 98 LEU HA . 34077 3 1032 . 1 1 98 98 LEU HD11 H 1 0.704 0.009 . 2 . . . . A 98 LEU HD11 . 34077 3 1033 . 1 1 98 98 LEU HD12 H 1 0.704 0.009 . 2 . . . . A 98 LEU HD12 . 34077 3 1034 . 1 1 98 98 LEU HD13 H 1 0.704 0.009 . 2 . . . . A 98 LEU HD13 . 34077 3 1035 . 1 1 98 98 LEU HD21 H 1 0.773 0.003 . 2 . . . . A 98 LEU HD21 . 34077 3 1036 . 1 1 98 98 LEU HD22 H 1 0.773 0.003 . 2 . . . . A 98 LEU HD22 . 34077 3 1037 . 1 1 98 98 LEU HD23 H 1 0.773 0.003 . 2 . . . . A 98 LEU HD23 . 34077 3 1038 . 1 1 98 98 LEU C C 13 179.559 0.000 . 1 . . . . A 98 LEU C . 34077 3 1039 . 1 1 98 98 LEU CA C 13 57.323 0.126 . 1 . . . . A 98 LEU CA . 34077 3 1040 . 1 1 98 98 LEU CB C 13 41.932 0.096 . 1 . . . . A 98 LEU CB . 34077 3 1041 . 1 1 98 98 LEU CD1 C 13 23.409 0.006 . 2 . . . . A 98 LEU CD1 . 34077 3 1042 . 1 1 98 98 LEU CD2 C 13 27.739 0.052 . 2 . . . . A 98 LEU CD2 . 34077 3 1043 . 1 1 98 98 LEU N N 15 115.817 0.034 . 1 . . . . A 98 LEU N . 34077 3 1044 . 1 1 99 99 GLN H H 1 8.161 0.003 . 1 . . . . A 99 GLN H . 34077 3 1045 . 1 1 99 99 GLN HA H 1 3.965 0.007 . 1 . . . . A 99 GLN HA . 34077 3 1046 . 1 1 99 99 GLN HB2 H 1 2.035 0.019 . 2 . . . . A 99 GLN HB2 . 34077 3 1047 . 1 1 99 99 GLN HB3 H 1 2.157 0.013 . 2 . . . . A 99 GLN HB3 . 34077 3 1048 . 1 1 99 99 GLN HG2 H 1 2.417 0.004 . 2 . . . . A 99 GLN HG2 . 34077 3 1049 . 1 1 99 99 GLN HG3 H 1 2.620 0.007 . 2 . . . . A 99 GLN HG3 . 34077 3 1050 . 1 1 99 99 GLN HE21 H 1 7.350 0.006 . 1 . . . . A 99 GLN HE21 . 34077 3 1051 . 1 1 99 99 GLN HE22 H 1 6.752 0.006 . 1 . . . . A 99 GLN HE22 . 34077 3 1052 . 1 1 99 99 GLN C C 13 177.366 0.000 . 1 . . . . A 99 GLN C . 34077 3 1053 . 1 1 99 99 GLN CA C 13 58.162 0.042 . 1 . . . . A 99 GLN CA . 34077 3 1054 . 1 1 99 99 GLN CB C 13 28.673 0.106 . 1 . . . . A 99 GLN CB . 34077 3 1055 . 1 1 99 99 GLN CG C 13 34.598 0.054 . 1 . . . . A 99 GLN CG . 34077 3 1056 . 1 1 99 99 GLN CD C 13 180.407 0.044 . 1 . . . . A 99 GLN CD . 34077 3 1057 . 1 1 99 99 GLN N N 15 115.856 0.038 . 1 . . . . A 99 GLN N . 34077 3 1058 . 1 1 99 99 GLN NE2 N 15 110.701 0.082 . 1 . . . . A 99 GLN NE2 . 34077 3 1059 . 1 1 100 100 ASN H H 1 7.569 0.002 . 1 . . . . A 100 ASN H . 34077 3 1060 . 1 1 100 100 ASN HA H 1 5.043 0.004 . 1 . . . . A 100 ASN HA . 34077 3 1061 . 1 1 100 100 ASN HB2 H 1 2.959 0.008 . 2 . . . . A 100 ASN HB2 . 34077 3 1062 . 1 1 100 100 ASN HB3 H 1 2.747 0.011 . 2 . . . . A 100 ASN HB3 . 34077 3 1063 . 1 1 100 100 ASN HD21 H 1 6.722 0.002 . 1 . . . . A 100 ASN HD21 . 34077 3 1064 . 1 1 100 100 ASN HD22 H 1 6.799 0.002 . 1 . . . . A 100 ASN HD22 . 34077 3 1065 . 1 1 100 100 ASN C C 13 175.511 0.000 . 1 . . . . A 100 ASN C . 34077 3 1066 . 1 1 100 100 ASN CA C 13 53.055 0.009 . 1 . . . . A 100 ASN CA . 34077 3 1067 . 1 1 100 100 ASN CB C 13 39.218 0.026 . 1 . . . . A 100 ASN CB . 34077 3 1068 . 1 1 100 100 ASN CG C 13 177.348 0.000 . 1 . . . . A 100 ASN CG . 34077 3 1069 . 1 1 100 100 ASN N N 15 116.200 0.032 . 1 . . . . A 100 ASN N . 34077 3 1070 . 1 1 100 100 ASN ND2 N 15 109.389 0.184 . 1 . . . . A 100 ASN ND2 . 34077 3 1071 . 1 1 101 101 LEU H H 1 7.124 0.009 . 1 . . . . A 101 LEU H . 34077 3 1072 . 1 1 101 101 LEU HA H 1 3.706 0.009 . 1 . . . . A 101 LEU HA . 34077 3 1073 . 1 1 101 101 LEU HB2 H 1 1.620 0.004 . 2 . . . . A 101 LEU HB2 . 34077 3 1074 . 1 1 101 101 LEU HB3 H 1 1.085 0.001 . 2 . . . . A 101 LEU HB3 . 34077 3 1075 . 1 1 101 101 LEU HD11 H 1 -0.021 0.006 . 2 . . . . A 101 LEU HD11 . 34077 3 1076 . 1 1 101 101 LEU HD12 H 1 -0.021 0.006 . 2 . . . . A 101 LEU HD12 . 34077 3 1077 . 1 1 101 101 LEU HD13 H 1 -0.021 0.006 . 2 . . . . A 101 LEU HD13 . 34077 3 1078 . 1 1 101 101 LEU HD21 H 1 0.057 0.006 . 2 . . . . A 101 LEU HD21 . 34077 3 1079 . 1 1 101 101 LEU HD22 H 1 0.057 0.006 . 2 . . . . A 101 LEU HD22 . 34077 3 1080 . 1 1 101 101 LEU HD23 H 1 0.057 0.006 . 2 . . . . A 101 LEU HD23 . 34077 3 1081 . 1 1 101 101 LEU CA C 13 57.779 0.062 . 1 . . . . A 101 LEU CA . 34077 3 1082 . 1 1 101 101 LEU CB C 13 41.627 0.020 . 1 . . . . A 101 LEU CB . 34077 3 1083 . 1 1 101 101 LEU CD1 C 13 23.590 0.052 . 2 . . . . A 101 LEU CD1 . 34077 3 1084 . 1 1 101 101 LEU CD2 C 13 25.515 0.035 . 2 . . . . A 101 LEU CD2 . 34077 3 1085 . 1 1 101 101 LEU N N 15 121.957 0.060 . 1 . . . . A 101 LEU N . 34077 3 1086 . 1 1 102 102 ASP HA H 1 4.694 0.008 . 1 . . . . A 102 ASP HA . 34077 3 1087 . 1 1 102 102 ASP C C 13 178.281 0.000 . 1 . . . . A 102 ASP C . 34077 3 1088 . 1 1 102 102 ASP CA C 13 57.195 0.011 . 1 . . . . A 102 ASP CA . 34077 3 1089 . 1 1 102 102 ASP CB C 13 39.434 0.001 . 1 . . . . A 102 ASP CB . 34077 3 1090 . 1 1 103 103 ALA H H 1 7.857 0.007 . 1 . . . . A 103 ALA H . 34077 3 1091 . 1 1 103 103 ALA HA H 1 4.233 0.005 . 1 . . . . A 103 ALA HA . 34077 3 1092 . 1 1 103 103 ALA HB1 H 1 1.406 0.002 . 1 . . . . A 103 ALA HB1 . 34077 3 1093 . 1 1 103 103 ALA HB2 H 1 1.406 0.002 . 1 . . . . A 103 ALA HB2 . 34077 3 1094 . 1 1 103 103 ALA HB3 H 1 1.406 0.002 . 1 . . . . A 103 ALA HB3 . 34077 3 1095 . 1 1 103 103 ALA CA C 13 54.124 0.001 . 1 . . . . A 103 ALA CA . 34077 3 1096 . 1 1 103 103 ALA CB C 13 18.378 0.008 . 1 . . . . A 103 ALA CB . 34077 3 1097 . 1 1 103 103 ALA N N 15 122.836 0.019 . 1 . . . . A 103 ALA N . 34077 3 1098 . 1 1 104 104 LEU HA H 1 3.906 0.007 . 1 . . . . A 104 LEU HA . 34077 3 1099 . 1 1 104 104 LEU HD11 H 1 0.563 0.017 . 2 . . . . A 104 LEU HD11 . 34077 3 1100 . 1 1 104 104 LEU HD12 H 1 0.563 0.017 . 2 . . . . A 104 LEU HD12 . 34077 3 1101 . 1 1 104 104 LEU HD13 H 1 0.563 0.017 . 2 . . . . A 104 LEU HD13 . 34077 3 1102 . 1 1 104 104 LEU HD21 H 1 0.381 0.002 . 2 . . . . A 104 LEU HD21 . 34077 3 1103 . 1 1 104 104 LEU HD22 H 1 0.381 0.002 . 2 . . . . A 104 LEU HD22 . 34077 3 1104 . 1 1 104 104 LEU HD23 H 1 0.381 0.002 . 2 . . . . A 104 LEU HD23 . 34077 3 1105 . 1 1 104 104 LEU CA C 13 58.127 0.003 . 1 . . . . A 104 LEU CA . 34077 3 1106 . 1 1 104 104 LEU CB C 13 41.284 0.007 . 1 . . . . A 104 LEU CB . 34077 3 1107 . 1 1 104 104 LEU CD1 C 13 23.378 0.082 . 2 . . . . A 104 LEU CD1 . 34077 3 1108 . 1 1 104 104 LEU CD2 C 13 25.276 0.047 . 2 . . . . A 104 LEU CD2 . 34077 3 1109 . 1 1 108 108 LEU HA H 1 3.712 0.002 . 1 . . . . A 108 LEU HA . 34077 3 1110 . 1 1 108 108 LEU HD11 H 1 0.412 0.007 . 1 . . . . A 108 LEU HD11 . 34077 3 1111 . 1 1 108 108 LEU HD12 H 1 0.412 0.007 . 1 . . . . A 108 LEU HD12 . 34077 3 1112 . 1 1 108 108 LEU HD13 H 1 0.412 0.007 . 1 . . . . A 108 LEU HD13 . 34077 3 1113 . 1 1 108 108 LEU CA C 13 57.454 0.001 . 1 . . . . A 108 LEU CA . 34077 3 1114 . 1 1 108 108 LEU CB C 13 41.298 0.000 . 1 . . . . A 108 LEU CB . 34077 3 1115 . 1 1 108 108 LEU CD1 C 13 22.008 0.088 . 2 . . . . A 108 LEU CD1 . 34077 3 1116 . 1 1 108 108 LEU CD2 C 13 25.358 0.020 . 2 . . . . A 108 LEU CD2 . 34077 3 1117 . 1 1 110 110 THR H H 1 7.304 0.004 . 1 . . . . A 110 THR H . 34077 3 1118 . 1 1 110 110 THR HA H 1 3.986 0.006 . 1 . . . . A 110 THR HA . 34077 3 1119 . 1 1 110 110 THR HB H 1 4.148 0.004 . 1 . . . . A 110 THR HB . 34077 3 1120 . 1 1 110 110 THR HG21 H 1 1.161 0.008 . 1 . . . . A 110 THR HG21 . 34077 3 1121 . 1 1 110 110 THR HG22 H 1 1.161 0.008 . 1 . . . . A 110 THR HG22 . 34077 3 1122 . 1 1 110 110 THR HG23 H 1 1.161 0.008 . 1 . . . . A 110 THR HG23 . 34077 3 1123 . 1 1 110 110 THR CA C 13 64.415 0.058 . 1 . . . . A 110 THR CA . 34077 3 1124 . 1 1 110 110 THR CB C 13 69.174 0.014 . 1 . . . . A 110 THR CB . 34077 3 1125 . 1 1 110 110 THR CG2 C 13 21.283 0.009 . 1 . . . . A 110 THR CG2 . 34077 3 1126 . 1 1 110 110 THR N N 15 109.005 0.078 . 1 . . . . A 110 THR N . 34077 3 1127 . 1 1 111 111 ILE H H 1 6.978 0.009 . 1 . . . . A 111 ILE H . 34077 3 1128 . 1 1 111 111 ILE HA H 1 3.683 0.002 . 1 . . . . A 111 ILE HA . 34077 3 1129 . 1 1 111 111 ILE HB H 1 1.262 0.004 . 1 . . . . A 111 ILE HB . 34077 3 1130 . 1 1 111 111 ILE HG21 H 1 0.110 0.005 . 1 . . . . A 111 ILE HG21 . 34077 3 1131 . 1 1 111 111 ILE HG22 H 1 0.110 0.005 . 1 . . . . A 111 ILE HG22 . 34077 3 1132 . 1 1 111 111 ILE HG23 H 1 0.110 0.005 . 1 . . . . A 111 ILE HG23 . 34077 3 1133 . 1 1 111 111 ILE HD11 H 1 0.413 0.006 . 1 . . . . A 111 ILE HD11 . 34077 3 1134 . 1 1 111 111 ILE HD12 H 1 0.413 0.006 . 1 . . . . A 111 ILE HD12 . 34077 3 1135 . 1 1 111 111 ILE HD13 H 1 0.413 0.006 . 1 . . . . A 111 ILE HD13 . 34077 3 1136 . 1 1 111 111 ILE CA C 13 62.662 0.013 . 1 . . . . A 111 ILE CA . 34077 3 1137 . 1 1 111 111 ILE CB C 13 38.495 0.027 . 1 . . . . A 111 ILE CB . 34077 3 1138 . 1 1 111 111 ILE CG1 C 13 26.648 0.023 . 1 . . . . A 111 ILE CG1 . 34077 3 1139 . 1 1 111 111 ILE CG2 C 13 17.375 0.022 . 1 . . . . A 111 ILE CG2 . 34077 3 1140 . 1 1 111 111 ILE CD1 C 13 12.544 0.015 . 1 . . . . A 111 ILE CD1 . 34077 3 1141 . 1 1 111 111 ILE N N 15 120.201 0.072 . 1 . . . . A 111 ILE N . 34077 3 1142 . 1 1 112 112 TYR HD1 H 1 6.865 0.012 . 1 . . . . A 112 TYR HD1 . 34077 3 1143 . 1 1 112 112 TYR HD2 H 1 6.865 0.012 . 1 . . . . A 112 TYR HD2 . 34077 3 1144 . 1 1 112 112 TYR HE1 H 1 6.421 0.011 . 1 . . . . A 112 TYR HE1 . 34077 3 1145 . 1 1 112 112 TYR HE2 H 1 6.421 0.011 . 1 . . . . A 112 TYR HE2 . 34077 3 1146 . 1 1 112 112 TYR CE1 C 13 117.292 0.000 . 1 . . . . A 112 TYR CE1 . 34077 3 1147 . 1 1 112 112 TYR CE2 C 13 117.292 0.000 . 1 . . . . A 112 TYR CE2 . 34077 3 1148 . 1 1 113 113 PRO HA H 1 4.560 0.003 . 1 . . . . A 113 PRO HA . 34077 3 1149 . 1 1 113 113 PRO HB2 H 1 2.325 0.003 . 2 . . . . A 113 PRO HB2 . 34077 3 1150 . 1 1 113 113 PRO HB3 H 1 1.944 0.001 . 2 . . . . A 113 PRO HB3 . 34077 3 1151 . 1 1 113 113 PRO HG2 H 1 1.947 0.001 . 2 . . . . A 113 PRO HG2 . 34077 3 1152 . 1 1 113 113 PRO HG3 H 1 2.053 0.001 . 2 . . . . A 113 PRO HG3 . 34077 3 1153 . 1 1 113 113 PRO HD2 H 1 3.434 0.002 . 1 . . . . A 113 PRO HD2 . 34077 3 1154 . 1 1 113 113 PRO CA C 13 63.697 0.041 . 1 . . . . A 113 PRO CA . 34077 3 1155 . 1 1 113 113 PRO CB C 13 31.731 0.006 . 1 . . . . A 113 PRO CB . 34077 3 1156 . 1 1 113 113 PRO CG C 13 27.587 0.031 . 1 . . . . A 113 PRO CG . 34077 3 1157 . 1 1 113 113 PRO CD C 13 50.620 0.032 . 1 . . . . A 113 PRO CD . 34077 3 1158 . 1 1 114 114 GLY H H 1 9.110 0.009 . 1 . . . . A 114 GLY H . 34077 3 1159 . 1 1 114 114 GLY C C 13 175.395 0.000 . 1 . . . . A 114 GLY C . 34077 3 1160 . 1 1 114 114 GLY CA C 13 45.072 0.042 . 1 . . . . A 114 GLY CA . 34077 3 1161 . 1 1 114 114 GLY N N 15 112.839 0.064 . 1 . . . . A 114 GLY N . 34077 3 1162 . 1 1 115 115 MET H H 1 8.197 0.005 . 1 . . . . A 115 MET H . 34077 3 1163 . 1 1 115 115 MET HA H 1 4.218 0.003 . 1 . . . . A 115 MET HA . 34077 3 1164 . 1 1 115 115 MET HB2 H 1 2.152 0.003 . 2 . . . . A 115 MET HB2 . 34077 3 1165 . 1 1 115 115 MET HB3 H 1 1.961 0.008 . 2 . . . . A 115 MET HB3 . 34077 3 1166 . 1 1 115 115 MET HE1 H 1 1.261 0.005 . 1 . . . . A 115 MET HE1 . 34077 3 1167 . 1 1 115 115 MET HE2 H 1 1.261 0.005 . 1 . . . . A 115 MET HE2 . 34077 3 1168 . 1 1 115 115 MET HE3 H 1 1.261 0.005 . 1 . . . . A 115 MET HE3 . 34077 3 1169 . 1 1 115 115 MET C C 13 175.758 0.041 . 1 . . . . A 115 MET C . 34077 3 1170 . 1 1 115 115 MET CA C 13 57.965 0.043 . 1 . . . . A 115 MET CA . 34077 3 1171 . 1 1 115 115 MET CB C 13 34.336 0.048 . 1 . . . . A 115 MET CB . 34077 3 1172 . 1 1 115 115 MET CE C 13 16.370 0.078 . 1 . . . . A 115 MET CE . 34077 3 1173 . 1 1 115 115 MET N N 15 122.142 0.040 . 1 . . . . A 115 MET N . 34077 3 1174 . 1 1 116 116 ARG H H 1 9.747 0.005 . 1 . . . . A 116 ARG H . 34077 3 1175 . 1 1 116 116 ARG HA H 1 4.708 0.010 . 1 . . . . A 116 ARG HA . 34077 3 1176 . 1 1 116 116 ARG HB2 H 1 1.781 0.005 . 1 . . . . A 116 ARG HB2 . 34077 3 1177 . 1 1 116 116 ARG HG2 H 1 1.766 0.001 . 2 . . . . A 116 ARG HG2 . 34077 3 1178 . 1 1 116 116 ARG HG3 H 1 1.654 0.005 . 2 . . . . A 116 ARG HG3 . 34077 3 1179 . 1 1 116 116 ARG HD2 H 1 3.271 0.002 . 2 . . . . A 116 ARG HD2 . 34077 3 1180 . 1 1 116 116 ARG HD3 H 1 3.242 0.007 . 2 . . . . A 116 ARG HD3 . 34077 3 1181 . 1 1 116 116 ARG HE H 1 7.343 0.002 . 1 . . . . A 116 ARG HE . 34077 3 1182 . 1 1 116 116 ARG C C 13 175.320 0.000 . 1 . . . . A 116 ARG C . 34077 3 1183 . 1 1 116 116 ARG CA C 13 54.101 0.043 . 1 . . . . A 116 ARG CA . 34077 3 1184 . 1 1 116 116 ARG CB C 13 28.569 0.000 . 1 . . . . A 116 ARG CB . 34077 3 1185 . 1 1 116 116 ARG CG C 13 26.125 0.019 . 1 . . . . A 116 ARG CG . 34077 3 1186 . 1 1 116 116 ARG CD C 13 43.672 0.012 . 1 . . . . A 116 ARG CD . 34077 3 1187 . 1 1 116 116 ARG N N 15 131.590 0.072 . 1 . . . . A 116 ARG N . 34077 3 1188 . 1 1 116 116 ARG NE N 15 85.082 0.027 . 1 . . . . A 116 ARG NE . 34077 3 1189 . 1 1 117 117 ALA H H 1 8.428 0.004 . 1 . . . . A 117 ALA H . 34077 3 1190 . 1 1 117 117 ALA HA H 1 4.563 0.005 . 1 . . . . A 117 ALA HA . 34077 3 1191 . 1 1 117 117 ALA HB1 H 1 1.231 0.003 . 1 . . . . A 117 ALA HB1 . 34077 3 1192 . 1 1 117 117 ALA HB2 H 1 1.231 0.003 . 1 . . . . A 117 ALA HB2 . 34077 3 1193 . 1 1 117 117 ALA HB3 H 1 1.231 0.003 . 1 . . . . A 117 ALA HB3 . 34077 3 1194 . 1 1 117 117 ALA CA C 13 51.055 0.100 . 1 . . . . A 117 ALA CA . 34077 3 1195 . 1 1 117 117 ALA CB C 13 17.993 0.039 . 1 . . . . A 117 ALA CB . 34077 3 1196 . 1 1 117 117 ALA N N 15 124.737 0.091 . 1 . . . . A 117 ALA N . 34077 3 1197 . 1 1 118 118 PRO HA H 1 4.930 0.004 . 1 . . . . A 118 PRO HA . 34077 3 1198 . 1 1 118 118 PRO HD2 H 1 3.745 0.000 . 2 . . . . A 118 PRO HD2 . 34077 3 1199 . 1 1 118 118 PRO HD3 H 1 3.955 0.000 . 2 . . . . A 118 PRO HD3 . 34077 3 1200 . 1 1 118 118 PRO C C 13 174.953 0.000 . 1 . . . . A 118 PRO C . 34077 3 1201 . 1 1 118 118 PRO CA C 13 62.551 0.030 . 1 . . . . A 118 PRO CA . 34077 3 1202 . 1 1 118 118 PRO CB C 13 33.558 0.000 . 1 . . . . A 118 PRO CB . 34077 3 1203 . 1 1 119 119 SER H H 1 8.536 0.009 . 1 . . . . A 119 SER H . 34077 3 1204 . 1 1 119 119 SER HA H 1 5.035 0.006 . 1 . . . . A 119 SER HA . 34077 3 1205 . 1 1 119 119 SER HB2 H 1 3.571 0.006 . 2 . . . . A 119 SER HB2 . 34077 3 1206 . 1 1 119 119 SER HB3 H 1 3.517 0.005 . 2 . . . . A 119 SER HB3 . 34077 3 1207 . 1 1 119 119 SER C C 13 171.856 0.000 . 1 . . . . A 119 SER C . 34077 3 1208 . 1 1 119 119 SER CA C 13 56.806 0.050 . 1 . . . . A 119 SER CA . 34077 3 1209 . 1 1 119 119 SER CB C 13 65.418 0.077 . 1 . . . . A 119 SER CB . 34077 3 1210 . 1 1 119 119 SER N N 15 112.760 0.072 . 1 . . . . A 119 SER N . 34077 3 1211 . 1 1 120 120 PHE H H 1 8.349 0.003 . 1 . . . . A 120 PHE H . 34077 3 1212 . 1 1 120 120 PHE HA H 1 6.238 0.010 . 1 . . . . A 120 PHE HA . 34077 3 1213 . 1 1 120 120 PHE HD1 H 1 6.950 0.017 . 1 . . . . A 120 PHE HD1 . 34077 3 1214 . 1 1 120 120 PHE HD2 H 1 6.950 0.017 . 1 . . . . A 120 PHE HD2 . 34077 3 1215 . 1 1 120 120 PHE HE1 H 1 7.061 0.001 . 1 . . . . A 120 PHE HE1 . 34077 3 1216 . 1 1 120 120 PHE HE2 H 1 7.061 0.001 . 1 . . . . A 120 PHE HE2 . 34077 3 1217 . 1 1 120 120 PHE C C 13 176.079 0.000 . 1 . . . . A 120 PHE C . 34077 3 1218 . 1 1 120 120 PHE CA C 13 56.542 0.010 . 1 . . . . A 120 PHE CA . 34077 3 1219 . 1 1 120 120 PHE CB C 13 44.886 0.000 . 1 . . . . A 120 PHE CB . 34077 3 1220 . 1 1 120 120 PHE N N 15 120.450 0.012 . 1 . . . . A 120 PHE N . 34077 3 1221 . 1 1 121 121 ARG H H 1 8.764 0.007 . 1 . . . . A 121 ARG H . 34077 3 1222 . 1 1 121 121 ARG HA H 1 4.809 0.005 . 1 . . . . A 121 ARG HA . 34077 3 1223 . 1 1 121 121 ARG HB2 H 1 1.860 0.008 . 2 . . . . A 121 ARG HB2 . 34077 3 1224 . 1 1 121 121 ARG HB3 H 1 1.728 0.008 . 2 . . . . A 121 ARG HB3 . 34077 3 1225 . 1 1 121 121 ARG HG2 H 1 1.534 0.009 . 2 . . . . A 121 ARG HG2 . 34077 3 1226 . 1 1 121 121 ARG HG3 H 1 1.522 0.009 . 2 . . . . A 121 ARG HG3 . 34077 3 1227 . 1 1 121 121 ARG HD2 H 1 3.072 0.006 . 2 . . . . A 121 ARG HD2 . 34077 3 1228 . 1 1 121 121 ARG HD3 H 1 3.072 0.008 . 2 . . . . A 121 ARG HD3 . 34077 3 1229 . 1 1 121 121 ARG C C 13 174.737 0.000 . 1 . . . . A 121 ARG C . 34077 3 1230 . 1 1 121 121 ARG CA C 13 55.370 0.055 . 1 . . . . A 121 ARG CA . 34077 3 1231 . 1 1 121 121 ARG CB C 13 34.219 0.037 . 1 . . . . A 121 ARG CB . 34077 3 1232 . 1 1 121 121 ARG CG C 13 27.317 0.081 . 1 . . . . A 121 ARG CG . 34077 3 1233 . 1 1 121 121 ARG CD C 13 43.077 0.052 . 1 . . . . A 121 ARG CD . 34077 3 1234 . 1 1 121 121 ARG N N 15 117.772 0.116 . 1 . . . . A 121 ARG N . 34077 3 1235 . 1 1 122 122 CYS H H 1 9.400 0.004 . 1 . . . . A 122 CYS H . 34077 3 1236 . 1 1 122 122 CYS HA H 1 5.980 0.003 . 1 . . . . A 122 CYS HA . 34077 3 1237 . 1 1 122 122 CYS HB2 H 1 2.760 0.007 . 2 . . . . A 122 CYS HB2 . 34077 3 1238 . 1 1 122 122 CYS HB3 H 1 2.705 0.015 . 2 . . . . A 122 CYS HB3 . 34077 3 1239 . 1 1 122 122 CYS C C 13 174.533 0.034 . 1 . . . . A 122 CYS C . 34077 3 1240 . 1 1 122 122 CYS CA C 13 57.744 0.075 . 1 . . . . A 122 CYS CA . 34077 3 1241 . 1 1 122 122 CYS CB C 13 30.108 0.049 . 1 . . . . A 122 CYS CB . 34077 3 1242 . 1 1 122 122 CYS N N 15 124.012 0.064 . 1 . . . . A 122 CYS N . 34077 3 1243 . 1 1 123 123 THR H H 1 9.574 0.005 . 1 . . . . A 123 THR H . 34077 3 1244 . 1 1 123 123 THR HA H 1 4.737 0.017 . 1 . . . . A 123 THR HA . 34077 3 1245 . 1 1 123 123 THR HB H 1 4.438 0.008 . 1 . . . . A 123 THR HB . 34077 3 1246 . 1 1 123 123 THR HG21 H 1 1.165 0.003 . 1 . . . . A 123 THR HG21 . 34077 3 1247 . 1 1 123 123 THR HG22 H 1 1.165 0.003 . 1 . . . . A 123 THR HG22 . 34077 3 1248 . 1 1 123 123 THR HG23 H 1 1.165 0.003 . 1 . . . . A 123 THR HG23 . 34077 3 1249 . 1 1 123 123 THR C C 13 172.929 0.006 . 1 . . . . A 123 THR C . 34077 3 1250 . 1 1 123 123 THR CA C 13 60.338 0.043 . 1 . . . . A 123 THR CA . 34077 3 1251 . 1 1 123 123 THR CB C 13 71.942 0.022 . 1 . . . . A 123 THR CB . 34077 3 1252 . 1 1 123 123 THR CG2 C 13 22.038 0.007 . 1 . . . . A 123 THR CG2 . 34077 3 1253 . 1 1 123 123 THR N N 15 118.946 0.062 . 1 . . . . A 123 THR N . 34077 3 1254 . 1 1 124 124 ASP H H 1 8.511 0.005 . 1 . . . . A 124 ASP H . 34077 3 1255 . 1 1 124 124 ASP HA H 1 4.793 0.013 . 1 . . . . A 124 ASP HA . 34077 3 1256 . 1 1 124 124 ASP HB2 H 1 2.752 0.009 . 2 . . . . A 124 ASP HB2 . 34077 3 1257 . 1 1 124 124 ASP HB3 H 1 2.458 0.001 . 2 . . . . A 124 ASP HB3 . 34077 3 1258 . 1 1 124 124 ASP C C 13 176.889 0.006 . 1 . . . . A 124 ASP C . 34077 3 1259 . 1 1 124 124 ASP CA C 13 55.345 0.036 . 1 . . . . A 124 ASP CA . 34077 3 1260 . 1 1 124 124 ASP CB C 13 41.711 0.014 . 1 . . . . A 124 ASP CB . 34077 3 1261 . 1 1 124 124 ASP N N 15 120.431 0.075 . 1 . . . . A 124 ASP N . 34077 3 1262 . 1 1 125 125 ALA H H 1 7.935 0.007 . 1 . . . . A 125 ALA H . 34077 3 1263 . 1 1 125 125 ALA HA H 1 4.180 0.007 . 1 . . . . A 125 ALA HA . 34077 3 1264 . 1 1 125 125 ALA HB1 H 1 1.114 0.006 . 1 . . . . A 125 ALA HB1 . 34077 3 1265 . 1 1 125 125 ALA HB2 H 1 1.114 0.006 . 1 . . . . A 125 ALA HB2 . 34077 3 1266 . 1 1 125 125 ALA HB3 H 1 1.114 0.006 . 1 . . . . A 125 ALA HB3 . 34077 3 1267 . 1 1 125 125 ALA C C 13 177.460 0.008 . 1 . . . . A 125 ALA C . 34077 3 1268 . 1 1 125 125 ALA CA C 13 52.146 0.047 . 1 . . . . A 125 ALA CA . 34077 3 1269 . 1 1 125 125 ALA CB C 13 18.950 0.049 . 1 . . . . A 125 ALA CB . 34077 3 1270 . 1 1 125 125 ALA N N 15 124.073 0.047 . 1 . . . . A 125 ALA N . 34077 3 1271 . 1 1 126 126 GLU H H 1 8.645 0.005 . 1 . . . . A 126 GLU H . 34077 3 1272 . 1 1 126 126 GLU HA H 1 4.009 0.008 . 1 . . . . A 126 GLU HA . 34077 3 1273 . 1 1 126 126 GLU HB2 H 1 1.971 0.005 . 1 . . . . A 126 GLU HB2 . 34077 3 1274 . 1 1 126 126 GLU HG2 H 1 2.268 0.010 . 2 . . . . A 126 GLU HG2 . 34077 3 1275 . 1 1 126 126 GLU HG3 H 1 2.218 0.008 . 2 . . . . A 126 GLU HG3 . 34077 3 1276 . 1 1 126 126 GLU C C 13 176.673 0.005 . 1 . . . . A 126 GLU C . 34077 3 1277 . 1 1 126 126 GLU CA C 13 58.262 0.021 . 1 . . . . A 126 GLU CA . 34077 3 1278 . 1 1 126 126 GLU CB C 13 29.903 0.031 . 1 . . . . A 126 GLU CB . 34077 3 1279 . 1 1 126 126 GLU CG C 13 36.429 0.000 . 1 . . . . A 126 GLU CG . 34077 3 1280 . 1 1 126 126 GLU N N 15 120.724 0.078 . 1 . . . . A 126 GLU N . 34077 3 1281 . 1 1 127 127 LYS H H 1 8.020 0.003 . 1 . . . . A 127 LYS H . 34077 3 1282 . 1 1 127 127 LYS HA H 1 4.278 0.004 . 1 . . . . A 127 LYS HA . 34077 3 1283 . 1 1 127 127 LYS HB2 H 1 1.805 0.006 . 2 . . . . A 127 LYS HB2 . 34077 3 1284 . 1 1 127 127 LYS HB3 H 1 1.729 0.007 . 2 . . . . A 127 LYS HB3 . 34077 3 1285 . 1 1 127 127 LYS HG2 H 1 1.331 0.013 . 2 . . . . A 127 LYS HG2 . 34077 3 1286 . 1 1 127 127 LYS HG3 H 1 1.323 0.012 . 2 . . . . A 127 LYS HG3 . 34077 3 1287 . 1 1 127 127 LYS HD2 H 1 1.611 0.002 . 2 . . . . A 127 LYS HD2 . 34077 3 1288 . 1 1 127 127 LYS HD3 H 1 1.636 0.000 . 2 . . . . A 127 LYS HD3 . 34077 3 1289 . 1 1 127 127 LYS HE3 H 1 2.921 0.001 . 1 . . . . A 127 LYS HE3 . 34077 3 1290 . 1 1 127 127 LYS C C 13 176.295 0.015 . 1 . . . . A 127 LYS C . 34077 3 1291 . 1 1 127 127 LYS CA C 13 55.909 0.034 . 1 . . . . A 127 LYS CA . 34077 3 1292 . 1 1 127 127 LYS CB C 13 33.014 0.031 . 1 . . . . A 127 LYS CB . 34077 3 1293 . 1 1 127 127 LYS CG C 13 24.752 0.016 . 1 . . . . A 127 LYS CG . 34077 3 1294 . 1 1 127 127 LYS CD C 13 29.043 0.057 . 1 . . . . A 127 LYS CD . 34077 3 1295 . 1 1 127 127 LYS CE C 13 42.055 0.018 . 1 . . . . A 127 LYS CE . 34077 3 1296 . 1 1 127 127 LYS N N 15 117.085 0.055 . 1 . . . . A 127 LYS N . 34077 3 1297 . 1 1 128 128 GLY H H 1 8.314 0.005 . 1 . . . . A 128 GLY H . 34077 3 1298 . 1 1 128 128 GLY HA2 H 1 4.032 0.006 . 2 . . . . A 128 GLY HA2 . 34077 3 1299 . 1 1 128 128 GLY HA3 H 1 3.800 0.007 . 2 . . . . A 128 GLY HA3 . 34077 3 1300 . 1 1 128 128 GLY C C 13 174.014 0.009 . 1 . . . . A 128 GLY C . 34077 3 1301 . 1 1 128 128 GLY CA C 13 45.365 0.049 . 1 . . . . A 128 GLY CA . 34077 3 1302 . 1 1 128 128 GLY N N 15 109.031 0.038 . 1 . . . . A 128 GLY N . 34077 3 1303 . 1 1 129 129 LYS H H 1 8.085 0.004 . 1 . . . . A 129 LYS H . 34077 3 1304 . 1 1 129 129 LYS HA H 1 4.454 0.007 . 1 . . . . A 129 LYS HA . 34077 3 1305 . 1 1 129 129 LYS HB2 H 1 1.651 0.003 . 2 . . . . A 129 LYS HB2 . 34077 3 1306 . 1 1 129 129 LYS HB3 H 1 1.909 0.002 . 2 . . . . A 129 LYS HB3 . 34077 3 1307 . 1 1 129 129 LYS C C 13 176.488 0.022 . 1 . . . . A 129 LYS C . 34077 3 1308 . 1 1 129 129 LYS CA C 13 55.656 0.043 . 1 . . . . A 129 LYS CA . 34077 3 1309 . 1 1 129 129 LYS CB C 13 32.497 0.056 . 1 . . . . A 129 LYS CB . 34077 3 1310 . 1 1 129 129 LYS CE C 13 42.060 0.000 . 1 . . . . A 129 LYS CE . 34077 3 1311 . 1 1 129 129 LYS N N 15 119.278 0.039 . 1 . . . . A 129 LYS N . 34077 3 1312 . 1 1 130 130 GLY H H 1 8.242 0.003 . 1 . . . . A 130 GLY H . 34077 3 1313 . 1 1 130 130 GLY HA2 H 1 4.185 0.012 . 2 . . . . A 130 GLY HA2 . 34077 3 1314 . 1 1 130 130 GLY HA3 H 1 4.019 0.006 . 2 . . . . A 130 GLY HA3 . 34077 3 1315 . 1 1 130 130 GLY C C 13 172.446 0.005 . 1 . . . . A 130 GLY C . 34077 3 1316 . 1 1 130 130 GLY CA C 13 45.056 0.106 . 1 . . . . A 130 GLY CA . 34077 3 1317 . 1 1 130 130 GLY N N 15 108.486 0.064 . 1 . . . . A 130 GLY N . 34077 3 1318 . 1 1 131 131 LEU H H 1 8.731 0.012 . 1 . . . . A 131 LEU H . 34077 3 1319 . 1 1 131 131 LEU HA H 1 4.900 0.008 . 1 . . . . A 131 LEU HA . 34077 3 1320 . 1 1 131 131 LEU HB2 H 1 1.499 0.011 . 2 . . . . A 131 LEU HB2 . 34077 3 1321 . 1 1 131 131 LEU HB3 H 1 1.435 0.006 . 2 . . . . A 131 LEU HB3 . 34077 3 1322 . 1 1 131 131 LEU HG H 1 1.582 0.013 . 1 . . . . A 131 LEU HG . 34077 3 1323 . 1 1 131 131 LEU HD11 H 1 0.815 0.011 . 2 . . . . A 131 LEU HD11 . 34077 3 1324 . 1 1 131 131 LEU HD12 H 1 0.815 0.011 . 2 . . . . A 131 LEU HD12 . 34077 3 1325 . 1 1 131 131 LEU HD13 H 1 0.815 0.011 . 2 . . . . A 131 LEU HD13 . 34077 3 1326 . 1 1 131 131 LEU HD21 H 1 0.789 0.002 . 2 . . . . A 131 LEU HD21 . 34077 3 1327 . 1 1 131 131 LEU HD22 H 1 0.789 0.002 . 2 . . . . A 131 LEU HD22 . 34077 3 1328 . 1 1 131 131 LEU HD23 H 1 0.789 0.002 . 2 . . . . A 131 LEU HD23 . 34077 3 1329 . 1 1 131 131 LEU C C 13 174.373 0.022 . 1 . . . . A 131 LEU C . 34077 3 1330 . 1 1 131 131 LEU CA C 13 53.812 0.084 . 1 . . . . A 131 LEU CA . 34077 3 1331 . 1 1 131 131 LEU CB C 13 45.886 0.031 . 1 . . . . A 131 LEU CB . 34077 3 1332 . 1 1 131 131 LEU CG C 13 26.554 0.041 . 1 . . . . A 131 LEU CG . 34077 3 1333 . 1 1 131 131 LEU CD1 C 13 25.145 0.004 . 2 . . . . A 131 LEU CD1 . 34077 3 1334 . 1 1 131 131 LEU CD2 C 13 26.620 0.000 . 2 . . . . A 131 LEU CD2 . 34077 3 1335 . 1 1 131 131 LEU N N 15 121.746 0.051 . 1 . . . . A 131 LEU N . 34077 3 1336 . 1 1 132 132 ILE H H 1 9.204 0.004 . 1 . . . . A 132 ILE H . 34077 3 1337 . 1 1 132 132 ILE HA H 1 5.118 0.008 . 1 . . . . A 132 ILE HA . 34077 3 1338 . 1 1 132 132 ILE HB H 1 1.964 0.009 . 1 . . . . A 132 ILE HB . 34077 3 1339 . 1 1 132 132 ILE HG12 H 1 1.294 0.005 . 2 . . . . A 132 ILE HG12 . 34077 3 1340 . 1 1 132 132 ILE HG13 H 1 0.988 0.014 . 2 . . . . A 132 ILE HG13 . 34077 3 1341 . 1 1 132 132 ILE HG21 H 1 0.239 0.005 . 1 . . . . A 132 ILE HG21 . 34077 3 1342 . 1 1 132 132 ILE HG22 H 1 0.239 0.005 . 1 . . . . A 132 ILE HG22 . 34077 3 1343 . 1 1 132 132 ILE HG23 H 1 0.239 0.005 . 1 . . . . A 132 ILE HG23 . 34077 3 1344 . 1 1 132 132 ILE HD11 H 1 0.728 0.010 . 1 . . . . A 132 ILE HD11 . 34077 3 1345 . 1 1 132 132 ILE HD12 H 1 0.728 0.010 . 1 . . . . A 132 ILE HD12 . 34077 3 1346 . 1 1 132 132 ILE HD13 H 1 0.728 0.010 . 1 . . . . A 132 ILE HD13 . 34077 3 1347 . 1 1 132 132 ILE C C 13 175.119 0.009 . 1 . . . . A 132 ILE C . 34077 3 1348 . 1 1 132 132 ILE CA C 13 58.617 0.055 . 1 . . . . A 132 ILE CA . 34077 3 1349 . 1 1 132 132 ILE CB C 13 36.939 0.042 . 1 . . . . A 132 ILE CB . 34077 3 1350 . 1 1 132 132 ILE CG1 C 13 27.089 0.011 . 1 . . . . A 132 ILE CG1 . 34077 3 1351 . 1 1 132 132 ILE CG2 C 13 16.480 0.053 . 1 . . . . A 132 ILE CG2 . 34077 3 1352 . 1 1 132 132 ILE CD1 C 13 11.876 0.072 . 1 . . . . A 132 ILE CD1 . 34077 3 1353 . 1 1 132 132 ILE N N 15 122.449 0.057 . 1 . . . . A 132 ILE N . 34077 3 1354 . 1 1 133 133 LEU H H 1 9.053 0.007 . 1 . . . . A 133 LEU H . 34077 3 1355 . 1 1 133 133 LEU HA H 1 5.225 0.010 . 1 . . . . A 133 LEU HA . 34077 3 1356 . 1 1 133 133 LEU HG H 1 1.726 0.009 . 1 . . . . A 133 LEU HG . 34077 3 1357 . 1 1 133 133 LEU HD11 H 1 0.663 0.010 . 2 . . . . A 133 LEU HD11 . 34077 3 1358 . 1 1 133 133 LEU HD12 H 1 0.663 0.010 . 2 . . . . A 133 LEU HD12 . 34077 3 1359 . 1 1 133 133 LEU HD13 H 1 0.663 0.010 . 2 . . . . A 133 LEU HD13 . 34077 3 1360 . 1 1 133 133 LEU HD21 H 1 1.148 0.008 . 2 . . . . A 133 LEU HD21 . 34077 3 1361 . 1 1 133 133 LEU HD22 H 1 1.148 0.008 . 2 . . . . A 133 LEU HD22 . 34077 3 1362 . 1 1 133 133 LEU HD23 H 1 1.148 0.008 . 2 . . . . A 133 LEU HD23 . 34077 3 1363 . 1 1 133 133 LEU C C 13 174.937 0.000 . 1 . . . . A 133 LEU C . 34077 3 1364 . 1 1 133 133 LEU CA C 13 52.799 0.020 . 1 . . . . A 133 LEU CA . 34077 3 1365 . 1 1 133 133 LEU CB C 13 46.202 0.059 . 1 . . . . A 133 LEU CB . 34077 3 1366 . 1 1 133 133 LEU CG C 13 27.871 0.040 . 1 . . . . A 133 LEU CG . 34077 3 1367 . 1 1 133 133 LEU CD1 C 13 26.272 0.038 . 2 . . . . A 133 LEU CD1 . 34077 3 1368 . 1 1 133 133 LEU CD2 C 13 24.410 0.066 . 2 . . . . A 133 LEU CD2 . 34077 3 1369 . 1 1 133 133 LEU N N 15 127.526 0.020 . 1 . . . . A 133 LEU N . 34077 3 1370 . 1 1 134 134 HIS H H 1 9.960 0.005 . 1 . . . . A 134 HIS H . 34077 3 1371 . 1 1 134 134 HIS HA H 1 4.895 0.013 . 1 . . . . A 134 HIS HA . 34077 3 1372 . 1 1 134 134 HIS HD2 H 1 7.009 0.003 . 1 . . . . A 134 HIS HD2 . 34077 3 1373 . 1 1 134 134 HIS C C 13 173.350 0.008 . 1 . . . . A 134 HIS C . 34077 3 1374 . 1 1 134 134 HIS CA C 13 55.782 0.046 . 1 . . . . A 134 HIS CA . 34077 3 1375 . 1 1 134 134 HIS CB C 13 30.779 0.072 . 1 . . . . A 134 HIS CB . 34077 3 1376 . 1 1 134 134 HIS N N 15 128.694 0.074 . 1 . . . . A 134 HIS N . 34077 3 1377 . 1 1 135 135 TYR H H 1 9.218 0.008 . 1 . . . . A 135 TYR H . 34077 3 1378 . 1 1 135 135 TYR HA H 1 5.274 0.009 . 1 . . . . A 135 TYR HA . 34077 3 1379 . 1 1 135 135 TYR HB2 H 1 3.291 0.001 . 2 . . . . A 135 TYR HB2 . 34077 3 1380 . 1 1 135 135 TYR HB3 H 1 2.826 0.009 . 2 . . . . A 135 TYR HB3 . 34077 3 1381 . 1 1 135 135 TYR HD1 H 1 6.842 0.003 . 1 . . . . A 135 TYR HD1 . 34077 3 1382 . 1 1 135 135 TYR HD2 H 1 6.842 0.003 . 1 . . . . A 135 TYR HD2 . 34077 3 1383 . 1 1 135 135 TYR HE1 H 1 6.225 0.007 . 1 . . . . A 135 TYR HE1 . 34077 3 1384 . 1 1 135 135 TYR HE2 H 1 6.225 0.007 . 1 . . . . A 135 TYR HE2 . 34077 3 1385 . 1 1 135 135 TYR C C 13 172.648 0.000 . 1 . . . . A 135 TYR C . 34077 3 1386 . 1 1 135 135 TYR CA C 13 54.759 0.109 . 1 . . . . A 135 TYR CA . 34077 3 1387 . 1 1 135 135 TYR CB C 13 42.409 0.033 . 1 . . . . A 135 TYR CB . 34077 3 1388 . 1 1 135 135 TYR CD1 C 13 133.772 0.000 . 1 . . . . A 135 TYR CD1 . 34077 3 1389 . 1 1 135 135 TYR CD2 C 13 133.772 0.000 . 1 . . . . A 135 TYR CD2 . 34077 3 1390 . 1 1 135 135 TYR CE1 C 13 117.171 0.000 . 1 . . . . A 135 TYR CE1 . 34077 3 1391 . 1 1 135 135 TYR CE2 C 13 117.171 0.000 . 1 . . . . A 135 TYR CE2 . 34077 3 1392 . 1 1 135 135 TYR N N 15 126.338 0.070 . 1 . . . . A 135 TYR N . 34077 3 1393 . 1 1 136 136 TYR H H 1 9.185 0.006 . 1 . . . . A 136 TYR H . 34077 3 1394 . 1 1 136 136 TYR HA H 1 4.430 0.008 . 1 . . . . A 136 TYR HA . 34077 3 1395 . 1 1 136 136 TYR HB2 H 1 2.690 0.008 . 2 . . . . A 136 TYR HB2 . 34077 3 1396 . 1 1 136 136 TYR HB3 H 1 2.797 0.000 . 2 . . . . A 136 TYR HB3 . 34077 3 1397 . 1 1 136 136 TYR HD1 H 1 6.725 0.013 . 1 . . . . A 136 TYR HD1 . 34077 3 1398 . 1 1 136 136 TYR HD2 H 1 6.725 0.013 . 1 . . . . A 136 TYR HD2 . 34077 3 1399 . 1 1 136 136 TYR C C 13 173.701 0.047 . 1 . . . . A 136 TYR C . 34077 3 1400 . 1 1 136 136 TYR CA C 13 56.378 0.025 . 1 . . . . A 136 TYR CA . 34077 3 1401 . 1 1 136 136 TYR CB C 13 38.017 0.021 . 1 . . . . A 136 TYR CB . 34077 3 1402 . 1 1 136 136 TYR N N 15 131.597 0.080 . 1 . . . . A 136 TYR N . 34077 3 1403 . 1 1 137 137 SER H H 1 7.743 0.003 . 1 . . . . A 137 SER H . 34077 3 1404 . 1 1 137 137 SER HA H 1 4.648 0.005 . 1 . . . . A 137 SER HA . 34077 3 1405 . 1 1 137 137 SER HB2 H 1 3.374 0.005 . 2 . . . . A 137 SER HB2 . 34077 3 1406 . 1 1 137 137 SER HB3 H 1 2.961 0.011 . 2 . . . . A 137 SER HB3 . 34077 3 1407 . 1 1 137 137 SER C C 13 175.354 0.003 . 1 . . . . A 137 SER C . 34077 3 1408 . 1 1 137 137 SER CA C 13 56.453 0.091 . 1 . . . . A 137 SER CA . 34077 3 1409 . 1 1 137 137 SER CB C 13 64.432 0.083 . 1 . . . . A 137 SER CB . 34077 3 1410 . 1 1 137 137 SER N N 15 114.688 0.037 . 1 . . . . A 137 SER N . 34077 3 1411 . 1 1 138 138 GLU H H 1 9.386 0.004 . 1 . . . . A 138 GLU H . 34077 3 1412 . 1 1 138 138 GLU HA H 1 4.323 0.003 . 1 . . . . A 138 GLU HA . 34077 3 1413 . 1 1 138 138 GLU HB2 H 1 1.764 0.011 . 1 . . . . A 138 GLU HB2 . 34077 3 1414 . 1 1 138 138 GLU HG2 H 1 2.238 0.000 . 1 . . . . A 138 GLU HG2 . 34077 3 1415 . 1 1 138 138 GLU C C 13 176.735 0.001 . 1 . . . . A 138 GLU C . 34077 3 1416 . 1 1 138 138 GLU CA C 13 56.665 0.039 . 1 . . . . A 138 GLU CA . 34077 3 1417 . 1 1 138 138 GLU CB C 13 30.192 0.043 . 1 . . . . A 138 GLU CB . 34077 3 1418 . 1 1 138 138 GLU N N 15 125.358 0.052 . 1 . . . . A 138 GLU N . 34077 3 1419 . 1 1 139 139 ARG H H 1 9.255 0.003 . 1 . . . . A 139 ARG H . 34077 3 1420 . 1 1 139 139 ARG HA H 1 4.514 0.005 . 1 . . . . A 139 ARG HA . 34077 3 1421 . 1 1 139 139 ARG HB2 H 1 1.612 0.000 . 1 . . . . A 139 ARG HB2 . 34077 3 1422 . 1 1 139 139 ARG HG2 H 1 1.434 0.014 . 2 . . . . A 139 ARG HG2 . 34077 3 1423 . 1 1 139 139 ARG HG3 H 1 1.394 0.014 . 2 . . . . A 139 ARG HG3 . 34077 3 1424 . 1 1 139 139 ARG C C 13 175.930 0.004 . 1 . . . . A 139 ARG C . 34077 3 1425 . 1 1 139 139 ARG CA C 13 55.648 0.014 . 1 . . . . A 139 ARG CA . 34077 3 1426 . 1 1 139 139 ARG CB C 13 32.430 0.064 . 1 . . . . A 139 ARG CB . 34077 3 1427 . 1 1 139 139 ARG N N 15 121.412 0.053 . 1 . . . . A 139 ARG N . 34077 3 1428 . 1 1 140 140 GLU H H 1 8.429 0.004 . 1 . . . . A 140 GLU H . 34077 3 1429 . 1 1 140 140 GLU HA H 1 4.469 0.009 . 1 . . . . A 140 GLU HA . 34077 3 1430 . 1 1 140 140 GLU HB2 H 1 1.881 0.005 . 2 . . . . A 140 GLU HB2 . 34077 3 1431 . 1 1 140 140 GLU HB3 H 1 1.753 0.003 . 2 . . . . A 140 GLU HB3 . 34077 3 1432 . 1 1 140 140 GLU HG2 H 1 2.134 0.005 . 2 . . . . A 140 GLU HG2 . 34077 3 1433 . 1 1 140 140 GLU HG3 H 1 2.083 0.016 . 2 . . . . A 140 GLU HG3 . 34077 3 1434 . 1 1 140 140 GLU C C 13 178.754 0.013 . 1 . . . . A 140 GLU C . 34077 3 1435 . 1 1 140 140 GLU CA C 13 55.343 0.024 . 1 . . . . A 140 GLU CA . 34077 3 1436 . 1 1 140 140 GLU CB C 13 31.448 0.039 . 1 . . . . A 140 GLU CB . 34077 3 1437 . 1 1 140 140 GLU N N 15 121.588 0.038 . 1 . . . . A 140 GLU N . 34077 3 1438 . 1 1 141 141 GLY H H 1 8.802 0.004 . 1 . . . . A 141 GLY H . 34077 3 1439 . 1 1 141 141 GLY HA2 H 1 4.118 0.006 . 2 . . . . A 141 GLY HA2 . 34077 3 1440 . 1 1 141 141 GLY HA3 H 1 4.024 0.010 . 2 . . . . A 141 GLY HA3 . 34077 3 1441 . 1 1 141 141 GLY C C 13 176.502 0.028 . 1 . . . . A 141 GLY C . 34077 3 1442 . 1 1 141 141 GLY CA C 13 47.482 0.055 . 1 . . . . A 141 GLY CA . 34077 3 1443 . 1 1 141 141 GLY N N 15 109.095 0.070 . 1 . . . . A 141 GLY N . 34077 3 1444 . 1 1 142 142 LEU H H 1 8.536 0.004 . 1 . . . . A 142 LEU H . 34077 3 1445 . 1 1 142 142 LEU HA H 1 4.700 0.002 . 1 . . . . A 142 LEU HA . 34077 3 1446 . 1 1 142 142 LEU HB2 H 1 1.530 0.006 . 2 . . . . A 142 LEU HB2 . 34077 3 1447 . 1 1 142 142 LEU HB3 H 1 1.697 0.011 . 2 . . . . A 142 LEU HB3 . 34077 3 1448 . 1 1 142 142 LEU HD11 H 1 0.464 0.007 . 2 . . . . A 142 LEU HD11 . 34077 3 1449 . 1 1 142 142 LEU HD12 H 1 0.464 0.007 . 2 . . . . A 142 LEU HD12 . 34077 3 1450 . 1 1 142 142 LEU HD13 H 1 0.464 0.007 . 2 . . . . A 142 LEU HD13 . 34077 3 1451 . 1 1 142 142 LEU HD21 H 1 0.505 0.012 . 2 . . . . A 142 LEU HD21 . 34077 3 1452 . 1 1 142 142 LEU HD22 H 1 0.505 0.012 . 2 . . . . A 142 LEU HD22 . 34077 3 1453 . 1 1 142 142 LEU HD23 H 1 0.505 0.012 . 2 . . . . A 142 LEU HD23 . 34077 3 1454 . 1 1 142 142 LEU C C 13 177.707 0.033 . 1 . . . . A 142 LEU C . 34077 3 1455 . 1 1 142 142 LEU CA C 13 53.993 0.045 . 1 . . . . A 142 LEU CA . 34077 3 1456 . 1 1 142 142 LEU CB C 13 40.251 0.047 . 1 . . . . A 142 LEU CB . 34077 3 1457 . 1 1 142 142 LEU CD1 C 13 21.138 0.011 . 2 . . . . A 142 LEU CD1 . 34077 3 1458 . 1 1 142 142 LEU CD2 C 13 26.894 0.079 . 2 . . . . A 142 LEU CD2 . 34077 3 1459 . 1 1 142 142 LEU N N 15 118.207 0.070 . 1 . . . . A 142 LEU N . 34077 3 1460 . 1 1 143 143 GLN H H 1 9.385 0.005 . 1 . . . . A 143 GLN H . 34077 3 1461 . 1 1 143 143 GLN HA H 1 4.138 0.004 . 1 . . . . A 143 GLN HA . 34077 3 1462 . 1 1 143 143 GLN HB2 H 1 2.222 0.008 . 1 . . . . A 143 GLN HB2 . 34077 3 1463 . 1 1 143 143 GLN HG2 H 1 2.732 0.005 . 2 . . . . A 143 GLN HG2 . 34077 3 1464 . 1 1 143 143 GLN HG3 H 1 2.496 0.004 . 2 . . . . A 143 GLN HG3 . 34077 3 1465 . 1 1 143 143 GLN HE21 H 1 7.217 0.004 . 1 . . . . A 143 GLN HE21 . 34077 3 1466 . 1 1 143 143 GLN HE22 H 1 7.552 0.004 . 1 . . . . A 143 GLN HE22 . 34077 3 1467 . 1 1 143 143 GLN C C 13 176.985 0.014 . 1 . . . . A 143 GLN C . 34077 3 1468 . 1 1 143 143 GLN CA C 13 60.311 0.061 . 1 . . . . A 143 GLN CA . 34077 3 1469 . 1 1 143 143 GLN CB C 13 26.390 0.109 . 1 . . . . A 143 GLN CB . 34077 3 1470 . 1 1 143 143 GLN CG C 13 32.470 0.053 . 1 . . . . A 143 GLN CG . 34077 3 1471 . 1 1 143 143 GLN CD C 13 179.927 0.003 . 1 . . . . A 143 GLN CD . 34077 3 1472 . 1 1 143 143 GLN N N 15 121.368 0.068 . 1 . . . . A 143 GLN N . 34077 3 1473 . 1 1 143 143 GLN NE2 N 15 111.343 0.074 . 1 . . . . A 143 GLN NE2 . 34077 3 1474 . 1 1 144 144 ASP H H 1 9.741 0.006 . 1 . . . . A 144 ASP H . 34077 3 1475 . 1 1 144 144 ASP HA H 1 4.492 0.004 . 1 . . . . A 144 ASP HA . 34077 3 1476 . 1 1 144 144 ASP HB2 H 1 2.613 0.001 . 2 . . . . A 144 ASP HB2 . 34077 3 1477 . 1 1 144 144 ASP HB3 H 1 2.732 0.011 . 2 . . . . A 144 ASP HB3 . 34077 3 1478 . 1 1 144 144 ASP C C 13 179.204 0.011 . 1 . . . . A 144 ASP C . 34077 3 1479 . 1 1 144 144 ASP CA C 13 58.942 0.159 . 1 . . . . A 144 ASP CA . 34077 3 1480 . 1 1 144 144 ASP CB C 13 43.795 0.000 . 1 . . . . A 144 ASP CB . 34077 3 1481 . 1 1 144 144 ASP N N 15 119.883 0.063 . 1 . . . . A 144 ASP N . 34077 3 1482 . 1 1 145 145 ILE H H 1 7.718 0.010 . 1 . . . . A 145 ILE H . 34077 3 1483 . 1 1 145 145 ILE HA H 1 3.715 0.010 . 1 . . . . A 145 ILE HA . 34077 3 1484 . 1 1 145 145 ILE HB H 1 1.787 0.015 . 1 . . . . A 145 ILE HB . 34077 3 1485 . 1 1 145 145 ILE HG12 H 1 1.512 0.014 . 2 . . . . A 145 ILE HG12 . 34077 3 1486 . 1 1 145 145 ILE HG13 H 1 1.532 0.019 . 2 . . . . A 145 ILE HG13 . 34077 3 1487 . 1 1 145 145 ILE HG21 H 1 0.487 0.007 . 1 . . . . A 145 ILE HG21 . 34077 3 1488 . 1 1 145 145 ILE HG22 H 1 0.487 0.007 . 1 . . . . A 145 ILE HG22 . 34077 3 1489 . 1 1 145 145 ILE HG23 H 1 0.487 0.007 . 1 . . . . A 145 ILE HG23 . 34077 3 1490 . 1 1 145 145 ILE HD11 H 1 0.170 0.005 . 1 . . . . A 145 ILE HD11 . 34077 3 1491 . 1 1 145 145 ILE HD12 H 1 0.170 0.005 . 1 . . . . A 145 ILE HD12 . 34077 3 1492 . 1 1 145 145 ILE HD13 H 1 0.170 0.005 . 1 . . . . A 145 ILE HD13 . 34077 3 1493 . 1 1 145 145 ILE C C 13 177.571 0.044 . 1 . . . . A 145 ILE C . 34077 3 1494 . 1 1 145 145 ILE CA C 13 65.497 0.045 . 1 . . . . A 145 ILE CA . 34077 3 1495 . 1 1 145 145 ILE CB C 13 37.456 0.017 . 1 . . . . A 145 ILE CB . 34077 3 1496 . 1 1 145 145 ILE CG1 C 13 29.410 0.013 . 1 . . . . A 145 ILE CG1 . 34077 3 1497 . 1 1 145 145 ILE CG2 C 13 16.377 0.044 . 1 . . . . A 145 ILE CG2 . 34077 3 1498 . 1 1 145 145 ILE CD1 C 13 12.760 0.079 . 1 . . . . A 145 ILE CD1 . 34077 3 1499 . 1 1 145 145 ILE N N 15 118.920 0.081 . 1 . . . . A 145 ILE N . 34077 3 1500 . 1 1 146 146 VAL H H 1 6.672 0.007 . 1 . . . . A 146 VAL H . 34077 3 1501 . 1 1 146 146 VAL HA H 1 3.041 0.009 . 1 . . . . A 146 VAL HA . 34077 3 1502 . 1 1 146 146 VAL HB H 1 2.109 0.013 . 1 . . . . A 146 VAL HB . 34077 3 1503 . 1 1 146 146 VAL HG11 H 1 0.540 0.003 . 1 . . . . A 146 VAL HG11 . 34077 3 1504 . 1 1 146 146 VAL HG12 H 1 0.540 0.003 . 1 . . . . A 146 VAL HG12 . 34077 3 1505 . 1 1 146 146 VAL HG13 H 1 0.540 0.003 . 1 . . . . A 146 VAL HG13 . 34077 3 1506 . 1 1 146 146 VAL C C 13 177.062 0.030 . 1 . . . . A 146 VAL C . 34077 3 1507 . 1 1 146 146 VAL CA C 13 66.954 0.111 . 1 . . . . A 146 VAL CA . 34077 3 1508 . 1 1 146 146 VAL CB C 13 30.928 0.089 . 1 . . . . A 146 VAL CB . 34077 3 1509 . 1 1 146 146 VAL CG1 C 13 22.324 0.184 . 1 . . . . A 146 VAL CG1 . 34077 3 1510 . 1 1 146 146 VAL N N 15 119.029 0.053 . 1 . . . . A 146 VAL N . 34077 3 1511 . 1 1 147 147 ILE H H 1 7.545 0.005 . 1 . . . . A 147 ILE H . 34077 3 1512 . 1 1 147 147 ILE HA H 1 3.643 0.006 . 1 . . . . A 147 ILE HA . 34077 3 1513 . 1 1 147 147 ILE HB H 1 1.712 0.012 . 1 . . . . A 147 ILE HB . 34077 3 1514 . 1 1 147 147 ILE HG21 H 1 0.760 0.010 . 1 . . . . A 147 ILE HG21 . 34077 3 1515 . 1 1 147 147 ILE HG22 H 1 0.760 0.010 . 1 . . . . A 147 ILE HG22 . 34077 3 1516 . 1 1 147 147 ILE HG23 H 1 0.760 0.010 . 1 . . . . A 147 ILE HG23 . 34077 3 1517 . 1 1 147 147 ILE HD11 H 1 0.981 0.012 . 1 . . . . A 147 ILE HD11 . 34077 3 1518 . 1 1 147 147 ILE HD12 H 1 0.981 0.012 . 1 . . . . A 147 ILE HD12 . 34077 3 1519 . 1 1 147 147 ILE HD13 H 1 0.981 0.012 . 1 . . . . A 147 ILE HD13 . 34077 3 1520 . 1 1 147 147 ILE C C 13 177.273 0.000 . 1 . . . . A 147 ILE C . 34077 3 1521 . 1 1 147 147 ILE CA C 13 65.299 0.090 . 1 . . . . A 147 ILE CA . 34077 3 1522 . 1 1 147 147 ILE CB C 13 38.474 0.029 . 1 . . . . A 147 ILE CB . 34077 3 1523 . 1 1 147 147 ILE CG1 C 13 29.686 0.096 . 1 . . . . A 147 ILE CG1 . 34077 3 1524 . 1 1 147 147 ILE CG2 C 13 16.566 0.019 . 1 . . . . A 147 ILE CG2 . 34077 3 1525 . 1 1 147 147 ILE CD1 C 13 12.839 0.023 . 1 . . . . A 147 ILE CD1 . 34077 3 1526 . 1 1 147 147 ILE N N 15 118.229 0.065 . 1 . . . . A 147 ILE N . 34077 3 1527 . 1 1 148 148 GLY H H 1 7.732 0.007 . 1 . . . . A 148 GLY H . 34077 3 1528 . 1 1 148 148 GLY HA2 H 1 4.127 0.007 . 1 . . . . A 148 GLY HA2 . 34077 3 1529 . 1 1 148 148 GLY C C 13 176.230 0.000 . 1 . . . . A 148 GLY C . 34077 3 1530 . 1 1 148 148 GLY CA C 13 47.633 0.033 . 1 . . . . A 148 GLY CA . 34077 3 1531 . 1 1 148 148 GLY N N 15 103.937 0.063 . 1 . . . . A 148 GLY N . 34077 3 1532 . 1 1 149 149 ILE H H 1 8.297 0.005 . 1 . . . . A 149 ILE H . 34077 3 1533 . 1 1 149 149 ILE HA H 1 3.362 0.015 . 1 . . . . A 149 ILE HA . 34077 3 1534 . 1 1 149 149 ILE HB H 1 1.225 0.010 . 1 . . . . A 149 ILE HB . 34077 3 1535 . 1 1 149 149 ILE HG21 H 1 0.375 0.007 . 1 . . . . A 149 ILE HG21 . 34077 3 1536 . 1 1 149 149 ILE HG22 H 1 0.375 0.007 . 1 . . . . A 149 ILE HG22 . 34077 3 1537 . 1 1 149 149 ILE HG23 H 1 0.375 0.007 . 1 . . . . A 149 ILE HG23 . 34077 3 1538 . 1 1 149 149 ILE HD11 H 1 -0.013 0.014 . 1 . . . . A 149 ILE HD11 . 34077 3 1539 . 1 1 149 149 ILE HD12 H 1 -0.013 0.014 . 1 . . . . A 149 ILE HD12 . 34077 3 1540 . 1 1 149 149 ILE HD13 H 1 -0.013 0.014 . 1 . . . . A 149 ILE HD13 . 34077 3 1541 . 1 1 149 149 ILE C C 13 177.564 0.000 . 1 . . . . A 149 ILE C . 34077 3 1542 . 1 1 149 149 ILE CA C 13 66.360 0.059 . 1 . . . . A 149 ILE CA . 34077 3 1543 . 1 1 149 149 ILE CB C 13 38.865 0.042 . 1 . . . . A 149 ILE CB . 34077 3 1544 . 1 1 149 149 ILE CG1 C 13 28.961 0.001 . 1 . . . . A 149 ILE CG1 . 34077 3 1545 . 1 1 149 149 ILE CG2 C 13 17.534 0.074 . 1 . . . . A 149 ILE CG2 . 34077 3 1546 . 1 1 149 149 ILE CD1 C 13 15.591 0.047 . 1 . . . . A 149 ILE CD1 . 34077 3 1547 . 1 1 149 149 ILE N N 15 120.899 0.083 . 1 . . . . A 149 ILE N . 34077 3 1548 . 1 1 150 150 ILE H H 1 8.288 0.004 . 1 . . . . A 150 ILE H . 34077 3 1549 . 1 1 150 150 ILE HA H 1 3.323 0.008 . 1 . . . . A 150 ILE HA . 34077 3 1550 . 1 1 150 150 ILE HB H 1 1.649 0.013 . 1 . . . . A 150 ILE HB . 34077 3 1551 . 1 1 150 150 ILE HG12 H 1 1.506 0.004 . 2 . . . . A 150 ILE HG12 . 34077 3 1552 . 1 1 150 150 ILE HG13 H 1 1.505 0.003 . 2 . . . . A 150 ILE HG13 . 34077 3 1553 . 1 1 150 150 ILE HG21 H 1 0.665 0.006 . 1 . . . . A 150 ILE HG21 . 34077 3 1554 . 1 1 150 150 ILE HG22 H 1 0.665 0.006 . 1 . . . . A 150 ILE HG22 . 34077 3 1555 . 1 1 150 150 ILE HG23 H 1 0.665 0.006 . 1 . . . . A 150 ILE HG23 . 34077 3 1556 . 1 1 150 150 ILE HD11 H 1 0.511 0.010 . 1 . . . . A 150 ILE HD11 . 34077 3 1557 . 1 1 150 150 ILE HD12 H 1 0.511 0.010 . 1 . . . . A 150 ILE HD12 . 34077 3 1558 . 1 1 150 150 ILE HD13 H 1 0.511 0.010 . 1 . . . . A 150 ILE HD13 . 34077 3 1559 . 1 1 150 150 ILE C C 13 177.841 0.000 . 1 . . . . A 150 ILE C . 34077 3 1560 . 1 1 150 150 ILE CA C 13 65.620 0.054 . 1 . . . . A 150 ILE CA . 34077 3 1561 . 1 1 150 150 ILE CB C 13 35.879 0.072 . 1 . . . . A 150 ILE CB . 34077 3 1562 . 1 1 150 150 ILE CG1 C 13 29.818 0.023 . 1 . . . . A 150 ILE CG1 . 34077 3 1563 . 1 1 150 150 ILE CG2 C 13 17.168 0.037 . 1 . . . . A 150 ILE CG2 . 34077 3 1564 . 1 1 150 150 ILE CD1 C 13 13.050 0.064 . 1 . . . . A 150 ILE CD1 . 34077 3 1565 . 1 1 150 150 ILE N N 15 118.863 0.054 . 1 . . . . A 150 ILE N . 34077 3 1566 . 1 1 151 151 LYS H H 1 8.765 0.008 . 1 . . . . A 151 LYS H . 34077 3 1567 . 1 1 151 151 LYS HA H 1 3.663 0.018 . 1 . . . . A 151 LYS HA . 34077 3 1568 . 1 1 151 151 LYS C C 13 179.380 0.009 . 1 . . . . A 151 LYS C . 34077 3 1569 . 1 1 151 151 LYS CA C 13 61.201 0.032 . 1 . . . . A 151 LYS CA . 34077 3 1570 . 1 1 151 151 LYS CB C 13 32.375 0.171 . 1 . . . . A 151 LYS CB . 34077 3 1571 . 1 1 151 151 LYS N N 15 117.909 0.035 . 1 . . . . A 151 LYS N . 34077 3 1572 . 1 1 152 152 THR H H 1 7.015 0.007 . 1 . . . . A 152 THR H . 34077 3 1573 . 1 1 152 152 THR HA H 1 3.805 0.017 . 1 . . . . A 152 THR HA . 34077 3 1574 . 1 1 152 152 THR HB H 1 3.944 0.005 . 1 . . . . A 152 THR HB . 34077 3 1575 . 1 1 152 152 THR HG1 H 1 5.736 0.001 . 1 . . . . A 152 THR HG1 . 34077 3 1576 . 1 1 152 152 THR HG21 H 1 1.006 0.005 . 1 . . . . A 152 THR HG21 . 34077 3 1577 . 1 1 152 152 THR HG22 H 1 1.006 0.005 . 1 . . . . A 152 THR HG22 . 34077 3 1578 . 1 1 152 152 THR HG23 H 1 1.006 0.005 . 1 . . . . A 152 THR HG23 . 34077 3 1579 . 1 1 152 152 THR C C 13 175.397 0.026 . 1 . . . . A 152 THR C . 34077 3 1580 . 1 1 152 152 THR CA C 13 67.113 0.142 . 1 . . . . A 152 THR CA . 34077 3 1581 . 1 1 152 152 THR N N 15 115.111 0.057 . 1 . . . . A 152 THR N . 34077 3 1582 . 1 1 153 153 VAL H H 1 8.445 0.005 . 1 . . . . A 153 VAL H . 34077 3 1583 . 1 1 153 153 VAL HA H 1 2.590 0.007 . 1 . . . . A 153 VAL HA . 34077 3 1584 . 1 1 153 153 VAL HB H 1 1.689 0.015 . 1 . . . . A 153 VAL HB . 34077 3 1585 . 1 1 153 153 VAL HG11 H 1 -0.130 0.007 . 2 . . . . A 153 VAL HG11 . 34077 3 1586 . 1 1 153 153 VAL HG12 H 1 -0.130 0.007 . 2 . . . . A 153 VAL HG12 . 34077 3 1587 . 1 1 153 153 VAL HG13 H 1 -0.130 0.007 . 2 . . . . A 153 VAL HG13 . 34077 3 1588 . 1 1 153 153 VAL HG21 H 1 0.630 0.007 . 2 . . . . A 153 VAL HG21 . 34077 3 1589 . 1 1 153 153 VAL HG22 H 1 0.630 0.007 . 2 . . . . A 153 VAL HG22 . 34077 3 1590 . 1 1 153 153 VAL HG23 H 1 0.630 0.007 . 2 . . . . A 153 VAL HG23 . 34077 3 1591 . 1 1 153 153 VAL C C 13 177.920 0.003 . 1 . . . . A 153 VAL C . 34077 3 1592 . 1 1 153 153 VAL CA C 13 66.628 0.035 . 1 . . . . A 153 VAL CA . 34077 3 1593 . 1 1 153 153 VAL CB C 13 31.612 0.027 . 1 . . . . A 153 VAL CB . 34077 3 1594 . 1 1 153 153 VAL CG1 C 13 19.491 0.048 . 2 . . . . A 153 VAL CG1 . 34077 3 1595 . 1 1 153 153 VAL CG2 C 13 23.518 0.059 . 2 . . . . A 153 VAL CG2 . 34077 3 1596 . 1 1 153 153 VAL N N 15 123.556 0.089 . 1 . . . . A 153 VAL N . 34077 3 1597 . 1 1 154 154 ALA H H 1 8.276 0.007 . 1 . . . . A 154 ALA H . 34077 3 1598 . 1 1 154 154 ALA HA H 1 3.933 0.012 . 1 . . . . A 154 ALA HA . 34077 3 1599 . 1 1 154 154 ALA HB1 H 1 1.310 0.012 . 1 . . . . A 154 ALA HB1 . 34077 3 1600 . 1 1 154 154 ALA HB2 H 1 1.310 0.012 . 1 . . . . A 154 ALA HB2 . 34077 3 1601 . 1 1 154 154 ALA HB3 H 1 1.310 0.012 . 1 . . . . A 154 ALA HB3 . 34077 3 1602 . 1 1 154 154 ALA C C 13 178.454 0.000 . 1 . . . . A 154 ALA C . 34077 3 1603 . 1 1 154 154 ALA CA C 13 55.455 0.025 . 1 . . . . A 154 ALA CA . 34077 3 1604 . 1 1 154 154 ALA CB C 13 18.280 0.017 . 1 . . . . A 154 ALA CB . 34077 3 1605 . 1 1 154 154 ALA N N 15 120.561 0.063 . 1 . . . . A 154 ALA N . 34077 3 1606 . 1 1 155 155 GLN H H 1 7.156 0.009 . 1 . . . . A 155 GLN H . 34077 3 1607 . 1 1 155 155 GLN HA H 1 3.883 0.011 . 1 . . . . A 155 GLN HA . 34077 3 1608 . 1 1 155 155 GLN HB2 H 1 1.992 0.006 . 1 . . . . A 155 GLN HB2 . 34077 3 1609 . 1 1 155 155 GLN HG2 H 1 2.308 0.006 . 2 . . . . A 155 GLN HG2 . 34077 3 1610 . 1 1 155 155 GLN HG3 H 1 2.099 0.004 . 2 . . . . A 155 GLN HG3 . 34077 3 1611 . 1 1 155 155 GLN HE21 H 1 7.746 0.003 . 1 . . . . A 155 GLN HE21 . 34077 3 1612 . 1 1 155 155 GLN HE22 H 1 6.676 0.003 . 1 . . . . A 155 GLN HE22 . 34077 3 1613 . 1 1 155 155 GLN C C 13 178.488 0.000 . 1 . . . . A 155 GLN C . 34077 3 1614 . 1 1 155 155 GLN CA C 13 59.238 0.059 . 1 . . . . A 155 GLN CA . 34077 3 1615 . 1 1 155 155 GLN CB C 13 30.232 0.096 . 1 . . . . A 155 GLN CB . 34077 3 1616 . 1 1 155 155 GLN CG C 13 33.754 0.081 . 1 . . . . A 155 GLN CG . 34077 3 1617 . 1 1 155 155 GLN CD C 13 179.930 0.012 . 1 . . . . A 155 GLN CD . 34077 3 1618 . 1 1 155 155 GLN N N 15 114.892 0.059 . 1 . . . . A 155 GLN N . 34077 3 1619 . 1 1 155 155 GLN NE2 N 15 112.469 0.051 . 1 . . . . A 155 GLN NE2 . 34077 3 1620 . 1 1 156 156 GLN H H 1 8.767 0.006 . 1 . . . . A 156 GLN H . 34077 3 1621 . 1 1 156 156 GLN HA H 1 3.944 0.006 . 1 . . . . A 156 GLN HA . 34077 3 1622 . 1 1 156 156 GLN HB2 H 1 1.619 0.005 . 1 . . . . A 156 GLN HB2 . 34077 3 1623 . 1 1 156 156 GLN HE21 H 1 6.720 0.004 . 1 . . . . A 156 GLN HE21 . 34077 3 1624 . 1 1 156 156 GLN HE22 H 1 7.543 0.003 . 1 . . . . A 156 GLN HE22 . 34077 3 1625 . 1 1 156 156 GLN C C 13 177.443 0.009 . 1 . . . . A 156 GLN C . 34077 3 1626 . 1 1 156 156 GLN CA C 13 58.285 0.071 . 1 . . . . A 156 GLN CA . 34077 3 1627 . 1 1 156 156 GLN CB C 13 28.929 0.064 . 1 . . . . A 156 GLN CB . 34077 3 1628 . 1 1 156 156 GLN CG C 13 34.176 0.048 . 1 . . . . A 156 GLN CG . 34077 3 1629 . 1 1 156 156 GLN CD C 13 179.137 0.013 . 1 . . . . A 156 GLN CD . 34077 3 1630 . 1 1 156 156 GLN N N 15 115.332 0.052 . 1 . . . . A 156 GLN N . 34077 3 1631 . 1 1 156 156 GLN NE2 N 15 111.894 0.021 . 1 . . . . A 156 GLN NE2 . 34077 3 1632 . 1 1 157 157 ILE H H 1 8.247 0.005 . 1 . . . . A 157 ILE H . 34077 3 1633 . 1 1 157 157 ILE HA H 1 3.911 0.005 . 1 . . . . A 157 ILE HA . 34077 3 1634 . 1 1 157 157 ILE HB H 1 1.425 0.012 . 1 . . . . A 157 ILE HB . 34077 3 1635 . 1 1 157 157 ILE HG12 H 1 1.304 0.009 . 2 . . . . A 157 ILE HG12 . 34077 3 1636 . 1 1 157 157 ILE HG13 H 1 1.013 0.010 . 2 . . . . A 157 ILE HG13 . 34077 3 1637 . 1 1 157 157 ILE HG21 H 1 0.098 0.007 . 1 . . . . A 157 ILE HG21 . 34077 3 1638 . 1 1 157 157 ILE HG22 H 1 0.098 0.007 . 1 . . . . A 157 ILE HG22 . 34077 3 1639 . 1 1 157 157 ILE HG23 H 1 0.098 0.007 . 1 . . . . A 157 ILE HG23 . 34077 3 1640 . 1 1 157 157 ILE HD11 H 1 0.717 0.012 . 1 . . . . A 157 ILE HD11 . 34077 3 1641 . 1 1 157 157 ILE HD12 H 1 0.717 0.012 . 1 . . . . A 157 ILE HD12 . 34077 3 1642 . 1 1 157 157 ILE HD13 H 1 0.717 0.012 . 1 . . . . A 157 ILE HD13 . 34077 3 1643 . 1 1 157 157 ILE C C 13 176.890 0.036 . 1 . . . . A 157 ILE C . 34077 3 1644 . 1 1 157 157 ILE CA C 13 62.546 0.071 . 1 . . . . A 157 ILE CA . 34077 3 1645 . 1 1 157 157 ILE CB C 13 36.227 0.010 . 1 . . . . A 157 ILE CB . 34077 3 1646 . 1 1 157 157 ILE CG1 C 13 28.053 0.017 . 1 . . . . A 157 ILE CG1 . 34077 3 1647 . 1 1 157 157 ILE CG2 C 13 16.667 0.102 . 1 . . . . A 157 ILE CG2 . 34077 3 1648 . 1 1 157 157 ILE CD1 C 13 12.311 0.046 . 1 . . . . A 157 ILE CD1 . 34077 3 1649 . 1 1 157 157 ILE N N 15 115.985 0.045 . 1 . . . . A 157 ILE N . 34077 3 1650 . 1 1 158 158 HIS H H 1 6.409 0.007 . 1 . . . . A 158 HIS H . 34077 3 1651 . 1 1 158 158 HIS HA H 1 4.672 0.012 . 1 . . . . A 158 HIS HA . 34077 3 1652 . 1 1 158 158 HIS HB2 H 1 3.358 0.003 . 2 . . . . A 158 HIS HB2 . 34077 3 1653 . 1 1 158 158 HIS HB3 H 1 3.077 0.003 . 2 . . . . A 158 HIS HB3 . 34077 3 1654 . 1 1 158 158 HIS HD2 H 1 6.113 0.007 . 1 . . . . A 158 HIS HD2 . 34077 3 1655 . 1 1 158 158 HIS C C 13 176.823 0.000 . 1 . . . . A 158 HIS C . 34077 3 1656 . 1 1 158 158 HIS CA C 13 57.297 0.033 . 1 . . . . A 158 HIS CA . 34077 3 1657 . 1 1 158 158 HIS CB C 13 32.578 0.000 . 1 . . . . A 158 HIS CB . 34077 3 1658 . 1 1 158 158 HIS CD2 C 13 120.645 1.504 . 1 . . . . A 158 HIS CD2 . 34077 3 1659 . 1 1 158 158 HIS N N 15 114.607 0.051 . 1 . . . . A 158 HIS N . 34077 3 1660 . 1 1 159 159 GLY H H 1 7.142 0.007 . 1 . . . . A 159 GLY H . 34077 3 1661 . 1 1 159 159 GLY HA2 H 1 3.832 0.010 . 2 . . . . A 159 GLY HA2 . 34077 3 1662 . 1 1 159 159 GLY HA3 H 1 3.987 0.005 . 2 . . . . A 159 GLY HA3 . 34077 3 1663 . 1 1 159 159 GLY C C 13 174.262 0.007 . 1 . . . . A 159 GLY C . 34077 3 1664 . 1 1 159 159 GLY CA C 13 47.398 0.084 . 1 . . . . A 159 GLY CA . 34077 3 1665 . 1 1 159 159 GLY N N 15 110.410 0.056 . 1 . . . . A 159 GLY N . 34077 3 1666 . 1 1 160 160 THR H H 1 8.334 0.005 . 1 . . . . A 160 THR H . 34077 3 1667 . 1 1 160 160 THR HA H 1 4.513 0.008 . 1 . . . . A 160 THR HA . 34077 3 1668 . 1 1 160 160 THR HB H 1 3.584 0.002 . 1 . . . . A 160 THR HB . 34077 3 1669 . 1 1 160 160 THR HG21 H 1 1.008 0.005 . 1 . . . . A 160 THR HG21 . 34077 3 1670 . 1 1 160 160 THR HG22 H 1 1.008 0.005 . 1 . . . . A 160 THR HG22 . 34077 3 1671 . 1 1 160 160 THR HG23 H 1 1.008 0.005 . 1 . . . . A 160 THR HG23 . 34077 3 1672 . 1 1 160 160 THR C C 13 171.947 0.020 . 1 . . . . A 160 THR C . 34077 3 1673 . 1 1 160 160 THR CA C 13 60.598 0.039 . 1 . . . . A 160 THR CA . 34077 3 1674 . 1 1 160 160 THR CB C 13 71.801 0.079 . 1 . . . . A 160 THR CB . 34077 3 1675 . 1 1 160 160 THR CG2 C 13 20.346 0.096 . 1 . . . . A 160 THR CG2 . 34077 3 1676 . 1 1 160 160 THR N N 15 116.591 0.048 . 1 . . . . A 160 THR N . 34077 3 1677 . 1 1 161 161 GLU H H 1 8.508 0.004 . 1 . . . . A 161 GLU H . 34077 3 1678 . 1 1 161 161 GLU HA H 1 4.382 0.004 . 1 . . . . A 161 GLU HA . 34077 3 1679 . 1 1 161 161 GLU HG2 H 1 2.225 0.008 . 2 . . . . A 161 GLU HG2 . 34077 3 1680 . 1 1 161 161 GLU HG3 H 1 2.007 0.000 . 2 . . . . A 161 GLU HG3 . 34077 3 1681 . 1 1 161 161 GLU C C 13 175.943 0.040 . 1 . . . . A 161 GLU C . 34077 3 1682 . 1 1 161 161 GLU CA C 13 55.436 0.017 . 1 . . . . A 161 GLU CA . 34077 3 1683 . 1 1 161 161 GLU CB C 13 30.862 0.000 . 1 . . . . A 161 GLU CB . 34077 3 1684 . 1 1 161 161 GLU N N 15 125.207 0.036 . 1 . . . . A 161 GLU N . 34077 3 1685 . 1 1 162 162 ILE H H 1 8.068 0.008 . 1 . . . . A 162 ILE H . 34077 3 1686 . 1 1 162 162 ILE HA H 1 5.064 0.008 . 1 . . . . A 162 ILE HA . 34077 3 1687 . 1 1 162 162 ILE HB H 1 1.724 0.016 . 1 . . . . A 162 ILE HB . 34077 3 1688 . 1 1 162 162 ILE HG12 H 1 1.219 0.006 . 2 . . . . A 162 ILE HG12 . 34077 3 1689 . 1 1 162 162 ILE HG13 H 1 1.019 0.009 . 2 . . . . A 162 ILE HG13 . 34077 3 1690 . 1 1 162 162 ILE HG21 H 1 0.597 0.007 . 1 . . . . A 162 ILE HG21 . 34077 3 1691 . 1 1 162 162 ILE HG22 H 1 0.597 0.007 . 1 . . . . A 162 ILE HG22 . 34077 3 1692 . 1 1 162 162 ILE HG23 H 1 0.597 0.007 . 1 . . . . A 162 ILE HG23 . 34077 3 1693 . 1 1 162 162 ILE HD11 H 1 0.583 0.008 . 1 . . . . A 162 ILE HD11 . 34077 3 1694 . 1 1 162 162 ILE HD12 H 1 0.583 0.008 . 1 . . . . A 162 ILE HD12 . 34077 3 1695 . 1 1 162 162 ILE HD13 H 1 0.583 0.008 . 1 . . . . A 162 ILE HD13 . 34077 3 1696 . 1 1 162 162 ILE C C 13 174.770 0.009 . 1 . . . . A 162 ILE C . 34077 3 1697 . 1 1 162 162 ILE CA C 13 58.659 0.027 . 1 . . . . A 162 ILE CA . 34077 3 1698 . 1 1 162 162 ILE CB C 13 40.778 0.061 . 1 . . . . A 162 ILE CB . 34077 3 1699 . 1 1 162 162 ILE CG1 C 13 25.099 0.038 . 1 . . . . A 162 ILE CG1 . 34077 3 1700 . 1 1 162 162 ILE CG2 C 13 17.329 0.031 . 1 . . . . A 162 ILE CG2 . 34077 3 1701 . 1 1 162 162 ILE CD1 C 13 14.634 0.045 . 1 . . . . A 162 ILE CD1 . 34077 3 1702 . 1 1 162 162 ILE N N 15 115.519 0.051 . 1 . . . . A 162 ILE N . 34077 3 1703 . 1 1 163 163 ASP H H 1 8.882 0.009 . 1 . . . . A 163 ASP H . 34077 3 1704 . 1 1 163 163 ASP HA H 1 4.844 0.012 . 1 . . . . A 163 ASP HA . 34077 3 1705 . 1 1 163 163 ASP HB2 H 1 2.673 0.005 . 2 . . . . A 163 ASP HB2 . 34077 3 1706 . 1 1 163 163 ASP HB3 H 1 2.318 0.003 . 2 . . . . A 163 ASP HB3 . 34077 3 1707 . 1 1 163 163 ASP C C 13 174.992 0.010 . 1 . . . . A 163 ASP C . 34077 3 1708 . 1 1 163 163 ASP CA C 13 53.091 0.017 . 1 . . . . A 163 ASP CA . 34077 3 1709 . 1 1 163 163 ASP CB C 13 43.292 0.036 . 1 . . . . A 163 ASP CB . 34077 3 1710 . 1 1 163 163 ASP N N 15 121.510 0.060 . 1 . . . . A 163 ASP N . 34077 3 1711 . 1 1 164 164 MET H H 1 8.350 0.014 . 1 . . . . A 164 MET H . 34077 3 1712 . 1 1 164 164 MET HA H 1 5.419 0.007 . 1 . . . . A 164 MET HA . 34077 3 1713 . 1 1 164 164 MET HE1 H 1 1.438 0.002 . 1 . . . . A 164 MET HE1 . 34077 3 1714 . 1 1 164 164 MET HE2 H 1 1.438 0.002 . 1 . . . . A 164 MET HE2 . 34077 3 1715 . 1 1 164 164 MET HE3 H 1 1.438 0.002 . 1 . . . . A 164 MET HE3 . 34077 3 1716 . 1 1 164 164 MET C C 13 172.992 0.031 . 1 . . . . A 164 MET C . 34077 3 1717 . 1 1 164 164 MET CA C 13 55.017 0.012 . 1 . . . . A 164 MET CA . 34077 3 1718 . 1 1 164 164 MET CB C 13 35.362 0.000 . 1 . . . . A 164 MET CB . 34077 3 1719 . 1 1 164 164 MET CG C 13 32.437 0.000 . 1 . . . . A 164 MET CG . 34077 3 1720 . 1 1 164 164 MET CE C 13 16.302 0.081 . 1 . . . . A 164 MET CE . 34077 3 1721 . 1 1 164 164 MET N N 15 122.457 0.055 . 1 . . . . A 164 MET N . 34077 3 1722 . 1 1 165 165 LYS H H 1 8.333 0.006 . 1 . . . . A 165 LYS H . 34077 3 1723 . 1 1 165 165 LYS HA H 1 4.860 0.012 . 1 . . . . A 165 LYS HA . 34077 3 1724 . 1 1 165 165 LYS HB2 H 1 1.834 0.006 . 2 . . . . A 165 LYS HB2 . 34077 3 1725 . 1 1 165 165 LYS HB3 H 1 1.739 0.015 . 2 . . . . A 165 LYS HB3 . 34077 3 1726 . 1 1 165 165 LYS HG2 H 1 1.408 0.010 . 2 . . . . A 165 LYS HG2 . 34077 3 1727 . 1 1 165 165 LYS HG3 H 1 1.182 0.006 . 2 . . . . A 165 LYS HG3 . 34077 3 1728 . 1 1 165 165 LYS HD2 H 1 1.594 0.005 . 2 . . . . A 165 LYS HD2 . 34077 3 1729 . 1 1 165 165 LYS HD3 H 1 1.577 0.008 . 2 . . . . A 165 LYS HD3 . 34077 3 1730 . 1 1 165 165 LYS HE2 H 1 2.842 0.004 . 2 . . . . A 165 LYS HE2 . 34077 3 1731 . 1 1 165 165 LYS HE3 H 1 2.834 0.002 . 2 . . . . A 165 LYS HE3 . 34077 3 1732 . 1 1 165 165 LYS C C 13 175.341 0.000 . 1 . . . . A 165 LYS C . 34077 3 1733 . 1 1 165 165 LYS CA C 13 54.115 0.036 . 1 . . . . A 165 LYS CA . 34077 3 1734 . 1 1 165 165 LYS CB C 13 35.803 0.017 . 1 . . . . A 165 LYS CB . 34077 3 1735 . 1 1 165 165 LYS CG C 13 23.362 0.048 . 1 . . . . A 165 LYS CG . 34077 3 1736 . 1 1 165 165 LYS CD C 13 29.346 0.018 . 1 . . . . A 165 LYS CD . 34077 3 1737 . 1 1 165 165 LYS CE C 13 42.127 0.022 . 1 . . . . A 165 LYS CE . 34077 3 1738 . 1 1 165 165 LYS N N 15 122.456 0.070 . 1 . . . . A 165 LYS N . 34077 3 1739 . 1 1 166 166 VAL H H 1 9.202 0.005 . 1 . . . . A 166 VAL H . 34077 3 1740 . 1 1 166 166 VAL HA H 1 3.978 0.009 . 1 . . . . A 166 VAL HA . 34077 3 1741 . 1 1 166 166 VAL HB H 1 1.957 0.005 . 1 . . . . A 166 VAL HB . 34077 3 1742 . 1 1 166 166 VAL HG11 H 1 0.900 0.005 . 2 . . . . A 166 VAL HG11 . 34077 3 1743 . 1 1 166 166 VAL HG12 H 1 0.900 0.005 . 2 . . . . A 166 VAL HG12 . 34077 3 1744 . 1 1 166 166 VAL HG13 H 1 0.900 0.005 . 2 . . . . A 166 VAL HG13 . 34077 3 1745 . 1 1 166 166 VAL HG21 H 1 0.662 0.005 . 2 . . . . A 166 VAL HG21 . 34077 3 1746 . 1 1 166 166 VAL HG22 H 1 0.662 0.005 . 2 . . . . A 166 VAL HG22 . 34077 3 1747 . 1 1 166 166 VAL HG23 H 1 0.662 0.005 . 2 . . . . A 166 VAL HG23 . 34077 3 1748 . 1 1 166 166 VAL C C 13 176.586 0.029 . 1 . . . . A 166 VAL C . 34077 3 1749 . 1 1 166 166 VAL CA C 13 63.942 0.076 . 1 . . . . A 166 VAL CA . 34077 3 1750 . 1 1 166 166 VAL CB C 13 31.890 0.008 . 1 . . . . A 166 VAL CB . 34077 3 1751 . 1 1 166 166 VAL CG1 C 13 22.835 0.057 . 2 . . . . A 166 VAL CG1 . 34077 3 1752 . 1 1 166 166 VAL CG2 C 13 21.363 0.025 . 2 . . . . A 166 VAL CG2 . 34077 3 1753 . 1 1 166 166 VAL N N 15 124.119 0.031 . 1 . . . . A 166 VAL N . 34077 3 1754 . 1 1 167 167 ILE H H 1 8.585 0.008 . 1 . . . . A 167 ILE H . 34077 3 1755 . 1 1 167 167 ILE HA H 1 4.498 0.005 . 1 . . . . A 167 ILE HA . 34077 3 1756 . 1 1 167 167 ILE HB H 1 1.856 0.004 . 1 . . . . A 167 ILE HB . 34077 3 1757 . 1 1 167 167 ILE HG12 H 1 1.176 0.008 . 2 . . . . A 167 ILE HG12 . 34077 3 1758 . 1 1 167 167 ILE HG13 H 1 0.766 0.008 . 2 . . . . A 167 ILE HG13 . 34077 3 1759 . 1 1 167 167 ILE HG21 H 1 0.831 0.009 . 1 . . . . A 167 ILE HG21 . 34077 3 1760 . 1 1 167 167 ILE HG22 H 1 0.831 0.009 . 1 . . . . A 167 ILE HG22 . 34077 3 1761 . 1 1 167 167 ILE HG23 H 1 0.831 0.009 . 1 . . . . A 167 ILE HG23 . 34077 3 1762 . 1 1 167 167 ILE HD11 H 1 0.793 0.008 . 1 . . . . A 167 ILE HD11 . 34077 3 1763 . 1 1 167 167 ILE HD12 H 1 0.793 0.008 . 1 . . . . A 167 ILE HD12 . 34077 3 1764 . 1 1 167 167 ILE HD13 H 1 0.793 0.008 . 1 . . . . A 167 ILE HD13 . 34077 3 1765 . 1 1 167 167 ILE C C 13 175.496 0.007 . 1 . . . . A 167 ILE C . 34077 3 1766 . 1 1 167 167 ILE CA C 13 61.276 0.069 . 1 . . . . A 167 ILE CA . 34077 3 1767 . 1 1 167 167 ILE CB C 13 39.574 0.010 . 1 . . . . A 167 ILE CB . 34077 3 1768 . 1 1 167 167 ILE CG1 C 13 26.748 0.019 . 1 . . . . A 167 ILE CG1 . 34077 3 1769 . 1 1 167 167 ILE CG2 C 13 19.219 0.047 . 1 . . . . A 167 ILE CG2 . 34077 3 1770 . 1 1 167 167 ILE CD1 C 13 14.032 0.015 . 1 . . . . A 167 ILE CD1 . 34077 3 1771 . 1 1 167 167 ILE N N 15 122.141 0.041 . 1 . . . . A 167 ILE N . 34077 3 1772 . 1 1 168 168 GLN H H 1 7.310 0.007 . 1 . . . . A 168 GLN H . 34077 3 1773 . 1 1 168 168 GLN HA H 1 4.282 0.006 . 1 . . . . A 168 GLN HA . 34077 3 1774 . 1 1 168 168 GLN C C 13 173.343 0.002 . 1 . . . . A 168 GLN C . 34077 3 1775 . 1 1 168 168 GLN CA C 13 55.744 0.074 . 1 . . . . A 168 GLN CA . 34077 3 1776 . 1 1 168 168 GLN CB C 13 31.767 0.006 . 1 . . . . A 168 GLN CB . 34077 3 1777 . 1 1 168 168 GLN N N 15 120.991 0.110 . 1 . . . . A 168 GLN N . 34077 3 1778 . 1 1 169 169 GLN H H 1 8.561 0.004 . 1 . . . . A 169 GLN H . 34077 3 1779 . 1 1 169 169 GLN HA H 1 4.355 0.012 . 1 . . . . A 169 GLN HA . 34077 3 1780 . 1 1 169 169 GLN HE21 H 1 7.779 0.007 . 1 . . . . A 169 GLN HE21 . 34077 3 1781 . 1 1 169 169 GLN HE22 H 1 6.828 0.003 . 1 . . . . A 169 GLN HE22 . 34077 3 1782 . 1 1 169 169 GLN C C 13 174.310 0.032 . 1 . . . . A 169 GLN C . 34077 3 1783 . 1 1 169 169 GLN CA C 13 54.544 0.009 . 1 . . . . A 169 GLN CA . 34077 3 1784 . 1 1 169 169 GLN CB C 13 29.889 0.000 . 1 . . . . A 169 GLN CB . 34077 3 1785 . 1 1 169 169 GLN CG C 13 34.166 0.074 . 1 . . . . A 169 GLN CG . 34077 3 1786 . 1 1 169 169 GLN CD C 13 179.858 0.002 . 1 . . . . A 169 GLN CD . 34077 3 1787 . 1 1 169 169 GLN N N 15 126.971 0.057 . 1 . . . . A 169 GLN N . 34077 3 1788 . 1 1 169 169 GLN NE2 N 15 114.810 0.070 . 1 . . . . A 169 GLN NE2 . 34077 3 1789 . 1 1 170 170 ARG H H 1 7.817 0.005 . 1 . . . . A 170 ARG H . 34077 3 1790 . 1 1 170 170 ARG HA H 1 4.003 0.008 . 1 . . . . A 170 ARG HA . 34077 3 1791 . 1 1 170 170 ARG HB2 H 1 1.330 0.004 . 1 . . . . A 170 ARG HB2 . 34077 3 1792 . 1 1 170 170 ARG HG2 H 1 1.531 0.009 . 2 . . . . A 170 ARG HG2 . 34077 3 1793 . 1 1 170 170 ARG HG3 H 1 1.434 0.005 . 2 . . . . A 170 ARG HG3 . 34077 3 1794 . 1 1 170 170 ARG HD2 H 1 3.019 0.008 . 2 . . . . A 170 ARG HD2 . 34077 3 1795 . 1 1 170 170 ARG HD3 H 1 3.064 0.004 . 2 . . . . A 170 ARG HD3 . 34077 3 1796 . 1 1 170 170 ARG HE H 1 7.074 0.007 . 1 . . . . A 170 ARG HE . 34077 3 1797 . 1 1 170 170 ARG C C 13 175.899 0.001 . 1 . . . . A 170 ARG C . 34077 3 1798 . 1 1 170 170 ARG CA C 13 56.933 0.051 . 1 . . . . A 170 ARG CA . 34077 3 1799 . 1 1 170 170 ARG CB C 13 29.897 0.083 . 1 . . . . A 170 ARG CB . 34077 3 1800 . 1 1 170 170 ARG CG C 13 26.586 0.014 . 1 . . . . A 170 ARG CG . 34077 3 1801 . 1 1 170 170 ARG CD C 13 43.686 0.027 . 1 . . . . A 170 ARG CD . 34077 3 1802 . 1 1 170 170 ARG N N 15 122.951 0.030 . 1 . . . . A 170 ARG N . 34077 3 1803 . 1 1 170 170 ARG NE N 15 85.206 0.047 . 1 . . . . A 170 ARG NE . 34077 3 1804 . 1 1 171 171 ASN H H 1 9.088 0.003 . 1 . . . . A 171 ASN H . 34077 3 1805 . 1 1 171 171 ASN HA H 1 4.560 0.006 . 1 . . . . A 171 ASN HA . 34077 3 1806 . 1 1 171 171 ASN HB2 H 1 3.039 0.014 . 2 . . . . A 171 ASN HB2 . 34077 3 1807 . 1 1 171 171 ASN HB3 H 1 3.045 0.012 . 2 . . . . A 171 ASN HB3 . 34077 3 1808 . 1 1 171 171 ASN HD21 H 1 6.911 0.005 . 1 . . . . A 171 ASN HD21 . 34077 3 1809 . 1 1 171 171 ASN HD22 H 1 7.354 0.004 . 1 . . . . A 171 ASN HD22 . 34077 3 1810 . 1 1 171 171 ASN C C 13 175.039 0.004 . 1 . . . . A 171 ASN C . 34077 3 1811 . 1 1 171 171 ASN CA C 13 52.890 0.012 . 1 . . . . A 171 ASN CA . 34077 3 1812 . 1 1 171 171 ASN CB C 13 37.094 0.026 . 1 . . . . A 171 ASN CB . 34077 3 1813 . 1 1 171 171 ASN CG C 13 176.443 0.006 . 1 . . . . A 171 ASN CG . 34077 3 1814 . 1 1 171 171 ASN N N 15 127.469 0.045 . 1 . . . . A 171 ASN N . 34077 3 1815 . 1 1 171 171 ASN ND2 N 15 111.146 0.025 . 1 . . . . A 171 ASN ND2 . 34077 3 1816 . 1 1 172 172 GLU H H 1 8.814 0.005 . 1 . . . . A 172 GLU H . 34077 3 1817 . 1 1 172 172 GLU HA H 1 4.012 0.004 . 1 . . . . A 172 GLU HA . 34077 3 1818 . 1 1 172 172 GLU C C 13 177.061 0.002 . 1 . . . . A 172 GLU C . 34077 3 1819 . 1 1 172 172 GLU CA C 13 59.237 0.027 . 1 . . . . A 172 GLU CA . 34077 3 1820 . 1 1 172 172 GLU CB C 13 29.176 0.100 . 1 . . . . A 172 GLU CB . 34077 3 1821 . 1 1 172 172 GLU N N 15 117.227 0.035 . 1 . . . . A 172 GLU N . 34077 3 1822 . 1 1 173 173 GLU H H 1 8.021 0.003 . 1 . . . . A 173 GLU H . 34077 3 1823 . 1 1 173 173 GLU HA H 1 4.290 0.032 . 1 . . . . A 173 GLU HA . 34077 3 1824 . 1 1 173 173 GLU HB2 H 1 1.940 0.005 . 2 . . . . A 173 GLU HB2 . 34077 3 1825 . 1 1 173 173 GLU HB3 H 1 2.026 0.002 . 2 . . . . A 173 GLU HB3 . 34077 3 1826 . 1 1 173 173 GLU HG2 H 1 2.125 0.001 . 2 . . . . A 173 GLU HG2 . 34077 3 1827 . 1 1 173 173 GLU HG3 H 1 2.242 0.003 . 2 . . . . A 173 GLU HG3 . 34077 3 1828 . 1 1 173 173 GLU C C 13 176.001 0.001 . 1 . . . . A 173 GLU C . 34077 3 1829 . 1 1 173 173 GLU CA C 13 56.494 0.042 . 1 . . . . A 173 GLU CA . 34077 3 1830 . 1 1 173 173 GLU CB C 13 30.874 0.028 . 1 . . . . A 173 GLU CB . 34077 3 1831 . 1 1 173 173 GLU N N 15 116.423 0.060 . 1 . . . . A 173 GLU N . 34077 3 1832 . 1 1 174 174 CYS H H 1 7.739 0.005 . 1 . . . . A 174 CYS H . 34077 3 1833 . 1 1 174 174 CYS HA H 1 4.485 0.004 . 1 . . . . A 174 CYS HA . 34077 3 1834 . 1 1 174 174 CYS HB2 H 1 2.633 0.015 . 2 . . . . A 174 CYS HB2 . 34077 3 1835 . 1 1 174 174 CYS HB3 H 1 2.595 0.015 . 2 . . . . A 174 CYS HB3 . 34077 3 1836 . 1 1 174 174 CYS C C 13 173.412 0.002 . 1 . . . . A 174 CYS C . 34077 3 1837 . 1 1 174 174 CYS CA C 13 58.492 0.060 . 1 . . . . A 174 CYS CA . 34077 3 1838 . 1 1 174 174 CYS CB C 13 28.148 0.018 . 1 . . . . A 174 CYS CB . 34077 3 1839 . 1 1 174 174 CYS N N 15 120.645 0.055 . 1 . . . . A 174 CYS N . 34077 3 1840 . 1 1 175 175 ASP H H 1 8.401 0.004 . 1 . . . . A 175 ASP H . 34077 3 1841 . 1 1 175 175 ASP HA H 1 4.509 0.012 . 1 . . . . A 175 ASP HA . 34077 3 1842 . 1 1 175 175 ASP HB2 H 1 3.140 0.000 . 1 . . . . A 175 ASP HB2 . 34077 3 1843 . 1 1 175 175 ASP C C 13 174.837 0.015 . 1 . . . . A 175 ASP C . 34077 3 1844 . 1 1 175 175 ASP CA C 13 54.591 0.033 . 1 . . . . A 175 ASP CA . 34077 3 1845 . 1 1 175 175 ASP CB C 13 40.365 0.000 . 1 . . . . A 175 ASP CB . 34077 3 1846 . 1 1 175 175 ASP N N 15 126.323 0.049 . 1 . . . . A 175 ASP N . 34077 3 1847 . 1 1 176 176 HIS H H 1 7.348 0.005 . 1 . . . . A 176 HIS H . 34077 3 1848 . 1 1 176 176 HIS HA H 1 4.520 0.008 . 1 . . . . A 176 HIS HA . 34077 3 1849 . 1 1 176 176 HIS HB2 H 1 2.475 0.000 . 2 . . . . A 176 HIS HB2 . 34077 3 1850 . 1 1 176 176 HIS HB3 H 1 2.529 0.001 . 2 . . . . A 176 HIS HB3 . 34077 3 1851 . 1 1 176 176 HIS HD2 H 1 6.465 0.003 . 1 . . . . A 176 HIS HD2 . 34077 3 1852 . 1 1 176 176 HIS C C 13 170.895 0.005 . 1 . . . . A 176 HIS C . 34077 3 1853 . 1 1 176 176 HIS CA C 13 55.091 0.049 . 1 . . . . A 176 HIS CA . 34077 3 1854 . 1 1 176 176 HIS CB C 13 28.429 0.088 . 1 . . . . A 176 HIS CB . 34077 3 1855 . 1 1 176 176 HIS N N 15 114.434 0.045 . 1 . . . . A 176 HIS N . 34077 3 1856 . 1 1 177 177 THR H H 1 7.575 0.006 . 1 . . . . A 177 THR H . 34077 3 1857 . 1 1 177 177 THR HA H 1 4.506 0.006 . 1 . . . . A 177 THR HA . 34077 3 1858 . 1 1 177 177 THR HB H 1 3.980 0.010 . 1 . . . . A 177 THR HB . 34077 3 1859 . 1 1 177 177 THR HG21 H 1 0.671 0.005 . 1 . . . . A 177 THR HG21 . 34077 3 1860 . 1 1 177 177 THR HG22 H 1 0.671 0.005 . 1 . . . . A 177 THR HG22 . 34077 3 1861 . 1 1 177 177 THR HG23 H 1 0.671 0.005 . 1 . . . . A 177 THR HG23 . 34077 3 1862 . 1 1 177 177 THR C C 13 173.791 0.034 . 1 . . . . A 177 THR C . 34077 3 1863 . 1 1 177 177 THR CA C 13 61.706 0.094 . 1 . . . . A 177 THR CA . 34077 3 1864 . 1 1 177 177 THR CB C 13 70.525 0.057 . 1 . . . . A 177 THR CB . 34077 3 1865 . 1 1 177 177 THR CG2 C 13 21.627 0.000 . 1 . . . . A 177 THR CG2 . 34077 3 1866 . 1 1 177 177 THR N N 15 115.609 0.084 . 1 . . . . A 177 THR N . 34077 3 1867 . 1 1 178 178 GLN H H 1 8.856 0.006 . 1 . . . . A 178 GLN H . 34077 3 1868 . 1 1 178 178 GLN HA H 1 5.155 0.009 . 1 . . . . A 178 GLN HA . 34077 3 1869 . 1 1 178 178 GLN C C 13 175.059 0.000 . 1 . . . . A 178 GLN C . 34077 3 1870 . 1 1 178 178 GLN CA C 13 53.901 0.018 . 1 . . . . A 178 GLN CA . 34077 3 1871 . 1 1 178 178 GLN CB C 13 31.565 0.009 . 1 . . . . A 178 GLN CB . 34077 3 1872 . 1 1 178 178 GLN CG C 13 33.673 0.000 . 1 . . . . A 178 GLN CG . 34077 3 1873 . 1 1 178 178 GLN N N 15 123.576 0.069 . 1 . . . . A 178 GLN N . 34077 3 1874 . 1 1 179 179 PHE H H 1 9.393 0.007 . 1 . . . . A 179 PHE H . 34077 3 1875 . 1 1 179 179 PHE HA H 1 5.564 0.005 . 1 . . . . A 179 PHE HA . 34077 3 1876 . 1 1 179 179 PHE HD1 H 1 6.967 0.011 . 1 . . . . A 179 PHE HD1 . 34077 3 1877 . 1 1 179 179 PHE HD2 H 1 6.967 0.011 . 1 . . . . A 179 PHE HD2 . 34077 3 1878 . 1 1 179 179 PHE HE1 H 1 7.061 0.014 . 1 . . . . A 179 PHE HE1 . 34077 3 1879 . 1 1 179 179 PHE HE2 H 1 7.061 0.014 . 1 . . . . A 179 PHE HE2 . 34077 3 1880 . 1 1 179 179 PHE C C 13 174.362 0.000 . 1 . . . . A 179 PHE C . 34077 3 1881 . 1 1 179 179 PHE CA C 13 55.089 0.039 . 1 . . . . A 179 PHE CA . 34077 3 1882 . 1 1 179 179 PHE CB C 13 42.572 0.007 . 1 . . . . A 179 PHE CB . 34077 3 1883 . 1 1 179 179 PHE CD1 C 13 129.795 0.000 . 1 . . . . A 179 PHE CD1 . 34077 3 1884 . 1 1 179 179 PHE CD2 C 13 129.795 0.000 . 1 . . . . A 179 PHE CD2 . 34077 3 1885 . 1 1 179 179 PHE N N 15 121.002 0.061 . 1 . . . . A 179 PHE N . 34077 3 1886 . 1 1 180 180 LEU H H 1 9.079 0.006 . 1 . . . . A 180 LEU H . 34077 3 1887 . 1 1 180 180 LEU HA H 1 5.121 0.009 . 1 . . . . A 180 LEU HA . 34077 3 1888 . 1 1 180 180 LEU HB2 H 1 1.293 0.010 . 2 . . . . A 180 LEU HB2 . 34077 3 1889 . 1 1 180 180 LEU HB3 H 1 1.680 0.007 . 2 . . . . A 180 LEU HB3 . 34077 3 1890 . 1 1 180 180 LEU HG H 1 1.290 0.005 . 1 . . . . A 180 LEU HG . 34077 3 1891 . 1 1 180 180 LEU HD11 H 1 0.816 0.007 . 2 . . . . A 180 LEU HD11 . 34077 3 1892 . 1 1 180 180 LEU HD12 H 1 0.816 0.007 . 2 . . . . A 180 LEU HD12 . 34077 3 1893 . 1 1 180 180 LEU HD13 H 1 0.816 0.007 . 2 . . . . A 180 LEU HD13 . 34077 3 1894 . 1 1 180 180 LEU HD21 H 1 0.812 0.010 . 2 . . . . A 180 LEU HD21 . 34077 3 1895 . 1 1 180 180 LEU HD22 H 1 0.812 0.010 . 2 . . . . A 180 LEU HD22 . 34077 3 1896 . 1 1 180 180 LEU HD23 H 1 0.812 0.010 . 2 . . . . A 180 LEU HD23 . 34077 3 1897 . 1 1 180 180 LEU C C 13 175.888 0.000 . 1 . . . . A 180 LEU C . 34077 3 1898 . 1 1 180 180 LEU CA C 13 54.108 0.043 . 1 . . . . A 180 LEU CA . 34077 3 1899 . 1 1 180 180 LEU CB C 13 44.969 0.040 . 1 . . . . A 180 LEU CB . 34077 3 1900 . 1 1 180 180 LEU CG C 13 28.039 0.028 . 1 . . . . A 180 LEU CG . 34077 3 1901 . 1 1 180 180 LEU CD1 C 13 26.244 0.124 . 2 . . . . A 180 LEU CD1 . 34077 3 1902 . 1 1 180 180 LEU CD2 C 13 22.485 0.061 . 2 . . . . A 180 LEU CD2 . 34077 3 1903 . 1 1 180 180 LEU N N 15 123.426 0.069 . 1 . . . . A 180 LEU N . 34077 3 1904 . 1 1 181 181 ILE H H 1 9.567 0.007 . 1 . . . . A 181 ILE H . 34077 3 1905 . 1 1 181 181 ILE HA H 1 4.911 0.012 . 1 . . . . A 181 ILE HA . 34077 3 1906 . 1 1 181 181 ILE HB H 1 1.686 0.008 . 1 . . . . A 181 ILE HB . 34077 3 1907 . 1 1 181 181 ILE HG21 H 1 0.718 0.014 . 1 . . . . A 181 ILE HG21 . 34077 3 1908 . 1 1 181 181 ILE HG22 H 1 0.718 0.014 . 1 . . . . A 181 ILE HG22 . 34077 3 1909 . 1 1 181 181 ILE HG23 H 1 0.718 0.014 . 1 . . . . A 181 ILE HG23 . 34077 3 1910 . 1 1 181 181 ILE C C 13 174.745 0.029 . 1 . . . . A 181 ILE C . 34077 3 1911 . 1 1 181 181 ILE CA C 13 60.710 0.053 . 1 . . . . A 181 ILE CA . 34077 3 1912 . 1 1 181 181 ILE CB C 13 40.494 0.057 . 1 . . . . A 181 ILE CB . 34077 3 1913 . 1 1 181 181 ILE CG1 C 13 28.600 0.028 . 1 . . . . A 181 ILE CG1 . 34077 3 1914 . 1 1 181 181 ILE CG2 C 13 17.834 0.028 . 1 . . . . A 181 ILE CG2 . 34077 3 1915 . 1 1 181 181 ILE CD1 C 13 16.455 0.029 . 1 . . . . A 181 ILE CD1 . 34077 3 1916 . 1 1 181 181 ILE N N 15 128.999 0.061 . 1 . . . . A 181 ILE N . 34077 3 1917 . 1 1 182 182 GLU H H 1 8.474 0.004 . 1 . . . . A 182 GLU H . 34077 3 1918 . 1 1 182 182 GLU HA H 1 4.687 0.003 . 1 . . . . A 182 GLU HA . 34077 3 1919 . 1 1 182 182 GLU C C 13 175.390 0.009 . 1 . . . . A 182 GLU C . 34077 3 1920 . 1 1 182 182 GLU CA C 13 54.485 0.018 . 1 . . . . A 182 GLU CA . 34077 3 1921 . 1 1 182 182 GLU CB C 13 34.312 0.084 . 1 . . . . A 182 GLU CB . 34077 3 1922 . 1 1 182 182 GLU N N 15 125.414 0.061 . 1 . . . . A 182 GLU N . 34077 3 1923 . 1 1 183 183 GLU H H 1 8.983 0.005 . 1 . . . . A 183 GLU H . 34077 3 1924 . 1 1 183 183 GLU HA H 1 4.283 0.011 . 1 . . . . A 183 GLU HA . 34077 3 1925 . 1 1 183 183 GLU HB2 H 1 1.820 0.005 . 2 . . . . A 183 GLU HB2 . 34077 3 1926 . 1 1 183 183 GLU HB3 H 1 1.941 0.004 . 2 . . . . A 183 GLU HB3 . 34077 3 1927 . 1 1 183 183 GLU HG2 H 1 2.012 0.019 . 2 . . . . A 183 GLU HG2 . 34077 3 1928 . 1 1 183 183 GLU HG3 H 1 2.141 0.014 . 2 . . . . A 183 GLU HG3 . 34077 3 1929 . 1 1 183 183 GLU C C 13 176.338 0.004 . 1 . . . . A 183 GLU C . 34077 3 1930 . 1 1 183 183 GLU CA C 13 57.062 0.025 . 1 . . . . A 183 GLU CA . 34077 3 1931 . 1 1 183 183 GLU CB C 13 30.422 0.000 . 1 . . . . A 183 GLU CB . 34077 3 1932 . 1 1 183 183 GLU N N 15 124.092 0.042 . 1 . . . . A 183 GLU N . 34077 3 1933 . 1 1 184 184 LYS H H 1 8.330 0.006 . 1 . . . . A 184 LYS H . 34077 3 1934 . 1 1 184 184 LYS HA H 1 4.229 0.008 . 1 . . . . A 184 LYS HA . 34077 3 1935 . 1 1 184 184 LYS HB2 H 1 1.759 0.014 . 2 . . . . A 184 LYS HB2 . 34077 3 1936 . 1 1 184 184 LYS HB3 H 1 1.667 0.009 . 2 . . . . A 184 LYS HB3 . 34077 3 1937 . 1 1 184 184 LYS HG2 H 1 1.340 0.008 . 1 . . . . A 184 LYS HG2 . 34077 3 1938 . 1 1 184 184 LYS HD2 H 1 1.607 0.005 . 2 . . . . A 184 LYS HD2 . 34077 3 1939 . 1 1 184 184 LYS HD3 H 1 1.469 0.005 . 2 . . . . A 184 LYS HD3 . 34077 3 1940 . 1 1 184 184 LYS HE2 H 1 2.913 0.010 . 2 . . . . A 184 LYS HE2 . 34077 3 1941 . 1 1 184 184 LYS HE3 H 1 2.797 0.004 . 2 . . . . A 184 LYS HE3 . 34077 3 1942 . 1 1 184 184 LYS C C 13 176.366 0.000 . 1 . . . . A 184 LYS C . 34077 3 1943 . 1 1 184 184 LYS CA C 13 56.297 0.114 . 1 . . . . A 184 LYS CA . 34077 3 1944 . 1 1 184 184 LYS CB C 13 32.819 0.064 . 1 . . . . A 184 LYS CB . 34077 3 1945 . 1 1 184 184 LYS CG C 13 24.687 0.046 . 1 . . . . A 184 LYS CG . 34077 3 1946 . 1 1 184 184 LYS CD C 13 28.895 0.098 . 1 . . . . A 184 LYS CD . 34077 3 1947 . 1 1 184 184 LYS CE C 13 42.099 0.026 . 1 . . . . A 184 LYS CE . 34077 3 1948 . 1 1 184 184 LYS N N 15 124.554 0.043 . 1 . . . . A 184 LYS N . 34077 3 1949 . 1 1 185 185 GLU H H 1 8.474 0.004 . 1 . . . . A 185 GLU H . 34077 3 1950 . 1 1 185 185 GLU HA H 1 4.226 0.000 . 1 . . . . A 185 GLU HA . 34077 3 1951 . 1 1 185 185 GLU C C 13 176.258 0.002 . 1 . . . . A 185 GLU C . 34077 3 1952 . 1 1 185 185 GLU CA C 13 56.438 0.043 . 1 . . . . A 185 GLU CA . 34077 3 1953 . 1 1 185 185 GLU CB C 13 30.567 0.044 . 1 . . . . A 185 GLU CB . 34077 3 1954 . 1 1 185 185 GLU N N 15 122.548 0.052 . 1 . . . . A 185 GLU N . 34077 3 1955 . 1 1 186 186 SER H H 1 8.422 0.006 . 1 . . . . A 186 SER H . 34077 3 1956 . 1 1 186 186 SER HA H 1 4.419 0.006 . 1 . . . . A 186 SER HA . 34077 3 1957 . 1 1 186 186 SER HB2 H 1 3.842 0.010 . 2 . . . . A 186 SER HB2 . 34077 3 1958 . 1 1 186 186 SER HB3 H 1 3.764 0.003 . 2 . . . . A 186 SER HB3 . 34077 3 1959 . 1 1 186 186 SER C C 13 174.786 0.017 . 1 . . . . A 186 SER C . 34077 3 1960 . 1 1 186 186 SER CA C 13 58.062 0.029 . 1 . . . . A 186 SER CA . 34077 3 1961 . 1 1 186 186 SER CB C 13 63.970 0.021 . 1 . . . . A 186 SER CB . 34077 3 1962 . 1 1 186 186 SER N N 15 118.021 0.049 . 1 . . . . A 186 SER N . 34077 3 1963 . 1 1 187 187 LYS H H 1 8.434 0.003 . 1 . . . . A 187 LYS H . 34077 3 1964 . 1 1 187 187 LYS HA H 1 4.231 0.000 . 1 . . . . A 187 LYS HA . 34077 3 1965 . 1 1 187 187 LYS C C 13 176.554 0.025 . 1 . . . . A 187 LYS C . 34077 3 1966 . 1 1 187 187 LYS CA C 13 56.436 0.051 . 1 . . . . A 187 LYS CA . 34077 3 1967 . 1 1 187 187 LYS CB C 13 32.877 0.013 . 1 . . . . A 187 LYS CB . 34077 3 1968 . 1 1 187 187 LYS N N 15 123.707 0.026 . 1 . . . . A 187 LYS N . 34077 3 1969 . 1 1 188 188 GLU H H 1 8.266 0.002 . 1 . . . . A 188 GLU H . 34077 3 1970 . 1 1 188 188 GLU HA H 1 4.100 0.000 . 1 . . . . A 188 GLU HA . 34077 3 1971 . 1 1 188 188 GLU C C 13 176.111 0.065 . 1 . . . . A 188 GLU C . 34077 3 1972 . 1 1 188 188 GLU CA C 13 56.533 0.031 . 1 . . . . A 188 GLU CA . 34077 3 1973 . 1 1 188 188 GLU CB C 13 30.149 0.043 . 1 . . . . A 188 GLU CB . 34077 3 1974 . 1 1 188 188 GLU N N 15 120.564 0.050 . 1 . . . . A 188 GLU N . 34077 3 1975 . 1 1 189 189 HIS H H 1 8.155 0.005 . 1 . . . . A 189 HIS H . 34077 3 1976 . 1 1 189 189 HIS C C 13 174.914 0.000 . 1 . . . . A 189 HIS C . 34077 3 1977 . 1 1 189 189 HIS N N 15 119.903 0.010 . 1 . . . . A 189 HIS N . 34077 3 stop_ save_