data_19010 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19010 _Entry.Title ; 1H, 15N and 13C backbone chemical shift assignment of the titin A59-A60 domain tandem ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-06 _Entry.Accession_date 2013-02-06 _Entry.Last_release_date 2014-02-13 _Entry.Original_release_date 2014-02-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Ca, C', Cb, amide N and H chemical shift assignment of a fibronectin type III domain tandem (A59-A60) from the titin A59-A69 super-repeat unit.' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Andras Czajlik . . . 19010 2 Gary Thompson . . . 19010 3 'Ghulam N' Khan . . . 19010 4 Arnout Kalverda . . . 19010 5 'Steve W' Homans . . . 19010 6 John Trinick . . . 19010 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19010 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Fac. Inform. Tech.' . 19010 2 . 'NMR Facility Leeds' . 19010 3 . 'Trinick group' . 19010 4 . 'Redford group' . 19010 5 . 'Newcastle University' . 19010 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19010 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 475 19010 '15N chemical shifts' 154 19010 '1H chemical shifts' 154 19010 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 . . 2014-02-13 2013-02-06 original author . 19010 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17410 '1H, 15N and 13C backbone chemical shift assignment of the titin A67-A68 domain tandem' 19010 BMRB 19011 '1H, 15N and 13C backbone chemical shift assignment of the titin A60 domain' 19010 PDB 1BPV 'TITIN MODULE A71 FROM HUMAN CARDIAC MUSCLE' 19010 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19010 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24469996 _Citation.Full_citation . _Citation.Title '(1)H, (15)N and (13)C backbone chemical shift assignment of titin domains A59-A60 and A60 alone.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Andras Czajlik . . . 19010 1 2 Gary Thompson . . . 19010 1 3 'Ghulam N' Khan . . . 19010 1 4 Arnout Kalverda . . . 19010 1 5 'Steve W' Homans . . . 19010 1 6 John Trinick . . . 19010 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'fibronectin type III domain tandem' 19010 1 'Large super-repeat unit' 19010 1 'Muscle protein' 19010 1 'Titin A-band' 19010 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19010 _Assembly.ID 1 _Assembly.Name Titin_C1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 24209.5448 _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 'Titin C1' 1 $Titin_C1 A . yes native no no . . 'Titin A59-A60 from the titin A59-A69 super-repeat' 19010 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Titin_C1 _Entity.Sf_category entity _Entity.Sf_framecode Titin_C1 _Entity.Entry_ID 19010 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Titin_C1 _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 ; MGSSHHHHHHSSGLVPRGSH MPPPPNIVDVRHDSVSLTWT DPKKTGGSPITGYHLEFKER NSLLWKRANKTPIRMRDFKV TGLTEGLEYEFRVMAINLAG VGKPSLPSEPVVALDPIDPP GKPEVINITRNSVTLIWTEP KYDGGHKLTGYIVEKRDLPS KSWMKANHVNVPECAFTVTD LVEGGKYEFRIRAKNTAGAI SAPSESTETIICKDEYEA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 218 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'titin A59-A60' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24209.5448 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Titin A59-A60 from the titin A59-A69 super-repeat' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'muscle protein' 19010 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 -19 MET . 19010 1 2 -18 GLY . 19010 1 3 -17 SER . 19010 1 4 -16 SER . 19010 1 5 -15 HIS . 19010 1 6 -14 HIS . 19010 1 7 -13 HIS . 19010 1 8 -12 HIS . 19010 1 9 -11 HIS . 19010 1 10 -10 HIS . 19010 1 11 -9 SER . 19010 1 12 -8 SER . 19010 1 13 -7 GLY . 19010 1 14 -6 LEU . 19010 1 15 -5 VAL . 19010 1 16 -4 PRO . 19010 1 17 -3 ARG . 19010 1 18 -2 GLY . 19010 1 19 -1 SER . 19010 1 20 0 HIS . 19010 1 21 1 MET . 19010 1 22 2 PRO . 19010 1 23 3 PRO . 19010 1 24 4 PRO . 19010 1 25 5 PRO . 19010 1 26 6 ASN . 19010 1 27 7 ILE . 19010 1 28 8 VAL . 19010 1 29 9 ASP . 19010 1 30 10 VAL . 19010 1 31 11 ARG . 19010 1 32 12 HIS . 19010 1 33 13 ASP . 19010 1 34 14 SER . 19010 1 35 15 VAL . 19010 1 36 16 SER . 19010 1 37 17 LEU . 19010 1 38 18 THR . 19010 1 39 19 TRP . 19010 1 40 20 THR . 19010 1 41 21 ASP . 19010 1 42 22 PRO . 19010 1 43 23 LYS . 19010 1 44 24 LYS . 19010 1 45 25 THR . 19010 1 46 26 GLY . 19010 1 47 27 GLY . 19010 1 48 28 SER . 19010 1 49 29 PRO . 19010 1 50 30 ILE . 19010 1 51 31 THR . 19010 1 52 32 GLY . 19010 1 53 33 TYR . 19010 1 54 34 HIS . 19010 1 55 35 LEU . 19010 1 56 36 GLU . 19010 1 57 37 PHE . 19010 1 58 38 LYS . 19010 1 59 39 GLU . 19010 1 60 40 ARG . 19010 1 61 41 ASN . 19010 1 62 42 SER . 19010 1 63 43 LEU . 19010 1 64 44 LEU . 19010 1 65 45 TRP . 19010 1 66 46 LYS . 19010 1 67 47 ARG . 19010 1 68 48 ALA . 19010 1 69 49 ASN . 19010 1 70 50 LYS . 19010 1 71 51 THR . 19010 1 72 52 PRO . 19010 1 73 53 ILE . 19010 1 74 54 ARG . 19010 1 75 55 MET . 19010 1 76 56 ARG . 19010 1 77 57 ASP . 19010 1 78 58 PHE . 19010 1 79 59 LYS . 19010 1 80 60 VAL . 19010 1 81 61 THR . 19010 1 82 62 GLY . 19010 1 83 63 LEU . 19010 1 84 64 THR . 19010 1 85 65 GLU . 19010 1 86 66 GLY . 19010 1 87 67 LEU . 19010 1 88 68 GLU . 19010 1 89 69 TYR . 19010 1 90 70 GLU . 19010 1 91 71 PHE . 19010 1 92 72 ARG . 19010 1 93 73 VAL . 19010 1 94 74 MET . 19010 1 95 75 ALA . 19010 1 96 76 ILE . 19010 1 97 77 ASN . 19010 1 98 78 LEU . 19010 1 99 79 ALA . 19010 1 100 80 GLY . 19010 1 101 81 VAL . 19010 1 102 82 GLY . 19010 1 103 83 LYS . 19010 1 104 84 PRO . 19010 1 105 85 SER . 19010 1 106 86 LEU . 19010 1 107 87 PRO . 19010 1 108 88 SER . 19010 1 109 89 GLU . 19010 1 110 90 PRO . 19010 1 111 91 VAL . 19010 1 112 92 VAL . 19010 1 113 93 ALA . 19010 1 114 94 LEU . 19010 1 115 95 ASP . 19010 1 116 96 PRO . 19010 1 117 97 ILE . 19010 1 118 98 ASP . 19010 1 119 99 PRO . 19010 1 120 100 PRO . 19010 1 121 101 GLY . 19010 1 122 102 LYS . 19010 1 123 103 PRO . 19010 1 124 104 GLU . 19010 1 125 105 VAL . 19010 1 126 106 ILE . 19010 1 127 107 ASN . 19010 1 128 108 ILE . 19010 1 129 109 THR . 19010 1 130 110 ARG . 19010 1 131 111 ASN . 19010 1 132 112 SER . 19010 1 133 113 VAL . 19010 1 134 114 THR . 19010 1 135 115 LEU . 19010 1 136 116 ILE . 19010 1 137 117 TRP . 19010 1 138 118 THR . 19010 1 139 119 GLU . 19010 1 140 120 PRO . 19010 1 141 121 LYS . 19010 1 142 122 TYR . 19010 1 143 123 ASP . 19010 1 144 124 GLY . 19010 1 145 125 GLY . 19010 1 146 126 HIS . 19010 1 147 127 LYS . 19010 1 148 128 LEU . 19010 1 149 129 THR . 19010 1 150 130 GLY . 19010 1 151 131 TYR . 19010 1 152 132 ILE . 19010 1 153 133 VAL . 19010 1 154 134 GLU . 19010 1 155 135 LYS . 19010 1 156 136 ARG . 19010 1 157 137 ASP . 19010 1 158 138 LEU . 19010 1 159 139 PRO . 19010 1 160 140 SER . 19010 1 161 141 LYS . 19010 1 162 142 SER . 19010 1 163 143 TRP . 19010 1 164 144 MET . 19010 1 165 145 LYS . 19010 1 166 146 ALA . 19010 1 167 147 ASN . 19010 1 168 148 HIS . 19010 1 169 149 VAL . 19010 1 170 150 ASN . 19010 1 171 151 VAL . 19010 1 172 152 PRO . 19010 1 173 153 GLU . 19010 1 174 154 CYS . 19010 1 175 155 ALA . 19010 1 176 156 PHE . 19010 1 177 157 THR . 19010 1 178 158 VAL . 19010 1 179 159 THR . 19010 1 180 160 ASP . 19010 1 181 161 LEU . 19010 1 182 162 VAL . 19010 1 183 163 GLU . 19010 1 184 164 GLY . 19010 1 185 165 GLY . 19010 1 186 166 LYS . 19010 1 187 167 TYR . 19010 1 188 168 GLU . 19010 1 189 169 PHE . 19010 1 190 170 ARG . 19010 1 191 171 ILE . 19010 1 192 172 ARG . 19010 1 193 173 ALA . 19010 1 194 174 LYS . 19010 1 195 175 ASN . 19010 1 196 176 THR . 19010 1 197 177 ALA . 19010 1 198 178 GLY . 19010 1 199 179 ALA . 19010 1 200 180 ILE . 19010 1 201 181 SER . 19010 1 202 182 ALA . 19010 1 203 183 PRO . 19010 1 204 184 SER . 19010 1 205 185 GLU . 19010 1 206 186 SER . 19010 1 207 187 THR . 19010 1 208 188 GLU . 19010 1 209 189 THR . 19010 1 210 190 ILE . 19010 1 211 191 ILE . 19010 1 212 192 CYS . 19010 1 213 193 LYS . 19010 1 214 194 ASP . 19010 1 215 195 GLU . 19010 1 216 196 TYR . 19010 1 217 197 GLU . 19010 1 218 198 ALA . 19010 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 19010 1 . GLY 2 2 19010 1 . SER 3 3 19010 1 . SER 4 4 19010 1 . HIS 5 5 19010 1 . HIS 6 6 19010 1 . HIS 7 7 19010 1 . HIS 8 8 19010 1 . HIS 9 9 19010 1 . HIS 10 10 19010 1 . SER 11 11 19010 1 . SER 12 12 19010 1 . GLY 13 13 19010 1 . LEU 14 14 19010 1 . VAL 15 15 19010 1 . PRO 16 16 19010 1 . ARG 17 17 19010 1 . GLY 18 18 19010 1 . SER 19 19 19010 1 . HIS 20 20 19010 1 . MET 21 21 19010 1 . PRO 22 22 19010 1 . PRO 23 23 19010 1 . PRO 24 24 19010 1 . PRO 25 25 19010 1 . ASN 26 26 19010 1 . ILE 27 27 19010 1 . VAL 28 28 19010 1 . ASP 29 29 19010 1 . VAL 30 30 19010 1 . ARG 31 31 19010 1 . HIS 32 32 19010 1 . ASP 33 33 19010 1 . SER 34 34 19010 1 . VAL 35 35 19010 1 . SER 36 36 19010 1 . LEU 37 37 19010 1 . THR 38 38 19010 1 . TRP 39 39 19010 1 . THR 40 40 19010 1 . ASP 41 41 19010 1 . PRO 42 42 19010 1 . LYS 43 43 19010 1 . LYS 44 44 19010 1 . THR 45 45 19010 1 . GLY 46 46 19010 1 . GLY 47 47 19010 1 . SER 48 48 19010 1 . PRO 49 49 19010 1 . ILE 50 50 19010 1 . THR 51 51 19010 1 . GLY 52 52 19010 1 . TYR 53 53 19010 1 . HIS 54 54 19010 1 . LEU 55 55 19010 1 . GLU 56 56 19010 1 . PHE 57 57 19010 1 . LYS 58 58 19010 1 . GLU 59 59 19010 1 . ARG 60 60 19010 1 . ASN 61 61 19010 1 . SER 62 62 19010 1 . LEU 63 63 19010 1 . LEU 64 64 19010 1 . TRP 65 65 19010 1 . LYS 66 66 19010 1 . ARG 67 67 19010 1 . ALA 68 68 19010 1 . ASN 69 69 19010 1 . LYS 70 70 19010 1 . THR 71 71 19010 1 . PRO 72 72 19010 1 . ILE 73 73 19010 1 . ARG 74 74 19010 1 . MET 75 75 19010 1 . ARG 76 76 19010 1 . ASP 77 77 19010 1 . PHE 78 78 19010 1 . LYS 79 79 19010 1 . VAL 80 80 19010 1 . THR 81 81 19010 1 . GLY 82 82 19010 1 . LEU 83 83 19010 1 . THR 84 84 19010 1 . GLU 85 85 19010 1 . GLY 86 86 19010 1 . LEU 87 87 19010 1 . GLU 88 88 19010 1 . TYR 89 89 19010 1 . GLU 90 90 19010 1 . PHE 91 91 19010 1 . ARG 92 92 19010 1 . VAL 93 93 19010 1 . MET 94 94 19010 1 . ALA 95 95 19010 1 . ILE 96 96 19010 1 . ASN 97 97 19010 1 . LEU 98 98 19010 1 . ALA 99 99 19010 1 . GLY 100 100 19010 1 . VAL 101 101 19010 1 . GLY 102 102 19010 1 . LYS 103 103 19010 1 . PRO 104 104 19010 1 . SER 105 105 19010 1 . LEU 106 106 19010 1 . PRO 107 107 19010 1 . SER 108 108 19010 1 . GLU 109 109 19010 1 . PRO 110 110 19010 1 . VAL 111 111 19010 1 . VAL 112 112 19010 1 . ALA 113 113 19010 1 . LEU 114 114 19010 1 . ASP 115 115 19010 1 . PRO 116 116 19010 1 . ILE 117 117 19010 1 . ASP 118 118 19010 1 . PRO 119 119 19010 1 . PRO 120 120 19010 1 . GLY 121 121 19010 1 . LYS 122 122 19010 1 . PRO 123 123 19010 1 . GLU 124 124 19010 1 . VAL 125 125 19010 1 . ILE 126 126 19010 1 . ASN 127 127 19010 1 . ILE 128 128 19010 1 . THR 129 129 19010 1 . ARG 130 130 19010 1 . ASN 131 131 19010 1 . SER 132 132 19010 1 . VAL 133 133 19010 1 . THR 134 134 19010 1 . LEU 135 135 19010 1 . ILE 136 136 19010 1 . TRP 137 137 19010 1 . THR 138 138 19010 1 . GLU 139 139 19010 1 . PRO 140 140 19010 1 . LYS 141 141 19010 1 . TYR 142 142 19010 1 . ASP 143 143 19010 1 . GLY 144 144 19010 1 . GLY 145 145 19010 1 . HIS 146 146 19010 1 . LYS 147 147 19010 1 . LEU 148 148 19010 1 . THR 149 149 19010 1 . GLY 150 150 19010 1 . TYR 151 151 19010 1 . ILE 152 152 19010 1 . VAL 153 153 19010 1 . GLU 154 154 19010 1 . LYS 155 155 19010 1 . ARG 156 156 19010 1 . ASP 157 157 19010 1 . LEU 158 158 19010 1 . PRO 159 159 19010 1 . SER 160 160 19010 1 . LYS 161 161 19010 1 . SER 162 162 19010 1 . TRP 163 163 19010 1 . MET 164 164 19010 1 . LYS 165 165 19010 1 . ALA 166 166 19010 1 . ASN 167 167 19010 1 . HIS 168 168 19010 1 . VAL 169 169 19010 1 . ASN 170 170 19010 1 . VAL 171 171 19010 1 . PRO 172 172 19010 1 . GLU 173 173 19010 1 . CYS 174 174 19010 1 . ALA 175 175 19010 1 . PHE 176 176 19010 1 . THR 177 177 19010 1 . VAL 178 178 19010 1 . THR 179 179 19010 1 . ASP 180 180 19010 1 . LEU 181 181 19010 1 . VAL 182 182 19010 1 . GLU 183 183 19010 1 . GLY 184 184 19010 1 . GLY 185 185 19010 1 . LYS 186 186 19010 1 . TYR 187 187 19010 1 . GLU 188 188 19010 1 . PHE 189 189 19010 1 . ARG 190 190 19010 1 . ILE 191 191 19010 1 . ARG 192 192 19010 1 . ALA 193 193 19010 1 . LYS 194 194 19010 1 . ASN 195 195 19010 1 . THR 196 196 19010 1 . ALA 197 197 19010 1 . GLY 198 198 19010 1 . ALA 199 199 19010 1 . ILE 200 200 19010 1 . SER 201 201 19010 1 . ALA 202 202 19010 1 . PRO 203 203 19010 1 . SER 204 204 19010 1 . GLU 205 205 19010 1 . SER 206 206 19010 1 . THR 207 207 19010 1 . GLU 208 208 19010 1 . THR 209 209 19010 1 . ILE 210 210 19010 1 . ILE 211 211 19010 1 . CYS 212 212 19010 1 . LYS 213 213 19010 1 . ASP 214 214 19010 1 . GLU 215 215 19010 1 . TYR 216 216 19010 1 . GLU 217 217 19010 1 . ALA 218 218 19010 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19010 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Titin_C1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . heart muscle . . . . . . . . . . . . . 'A59-A60 from the titin A59-A69 super-repeat' . . 19010 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 19010 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Titin_C1 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli 'Escherichia coli BL21(DE3)' . . . . . . . . . . . . . . . 'pET 15b_A170' . . . . . . 19010 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_TitinA59-A60 _Sample.Sf_category sample _Sample.Sf_framecode TitinA59-A60 _Sample.Entry_ID 19010 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Titin_C1 '[U-13C; U-15N; U-2H]' . . 1 $Titin_C1 . . 1.0 . . mM 0.0001 . . . 19010 1 2 NaCl 'natural abundance' . . . . . . 500.0 . . mM 0.005 . . . 19010 1 3 MES 'natural abundance' . . . . . . 50.0 . . mM 0.001 . . . 19010 1 4 DTT 'natural abundance' . . . . . . 10.0 . . mM 0.0001 . . . 19010 1 5 'sodium azide' 'natural abundance' . . . . . . 1.0 . . mM 0.0001 . . . 19010 1 6 'complete protease inhibitor' 'natural abundance' . . . . . . 1.0 . . mM 0.0001 . . . 19010 1 7 DSS 'natural abundance' . . . . . . 10.0 . . mM 1e-06 . . . 19010 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_1 _Sample_condition_list.Entry_ID 19010 _Sample_condition_list.ID 1 _Sample_condition_list.Details '0.5M NaCl, 50mM MES, 10 mM DTT and 1 mM azide, pH 6.5' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.500 . pH 19010 1 pressure 1.000 . atm 19010 1 temperature 293.000 . K 19010 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNMR_Analysis _Software.Entry_ID 19010 _Software.ID 1 _Software.Name ANALYSIS _Software.Version 1.0 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 19010 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignment' 19010 1 stop_ save_ save_CcpNmr_Analysis_2 _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis_2 _Software.Entry_ID 19010 _Software.ID 2 _Software.Name ANALYSIS _Software.Version 2.1 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 19010 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignment' 19010 2 stop_ save_ save_CcpNmr_Entry_completion_Interface _Software.Sf_category software _Software.Sf_framecode CcpNmr_Entry_completion_Interface _Software.Entry_ID 19010 _Software.ID 3 _Software.Name CcpNmr_Entry_completion_Interface _Software.Version 2.1 _Software.Details 'The PDBe & CCPN Entry Completion Interface' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'PDBe & CCPN' 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ebi.ac.uk/pdbe/ 19010 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data deposition' 19010 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19010 _Software.ID 4 _Software.Name NMRPipe _Software.Version 5.5 _Software.Details 'NMRPipe spectral processing and analysis system' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NMRPipe NIDDK http://spin.niddk.nih.gov/NMRPipe/ 19010 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 19010 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19010 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19010 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19010 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian UnityInova . 750 . . . 19010 1 2 spectrometer_2 Varian UnityInova . 600 . . . 19010 1 stop_ save_ save_HCN600 _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode HCN600 _NMR_spectrometer_probe.Entry_ID 19010 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer varian _NMR_spectrometer_probe.Model 'HCN triple resonance' _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter 0.5 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 19010 1 stop_ save_ save_HCN_cold_750 _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode HCN_cold_750 _NMR_spectrometer_probe.Entry_ID 19010 _NMR_spectrometer_probe.ID 2 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer varian _NMR_spectrometer_probe.Model 'HCN triple resonance cryogenic probe' _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter 0.5 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 19010 2 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19010 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $TitinA59-A60 isotropic . . 1 $sample_condition_1 . . . 1 $spectrometer_1 2 $HCN_cold_750 . . . . . . . . . . . . . . 19010 1 2 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $TitinA59-A60 isotropic . . 1 $sample_condition_1 . . . 1 $spectrometer_1 2 $HCN_cold_750 . . . . . . . . . . . . . . 19010 1 3 '3D HNCA' no . . . . . . . . . . 1 $TitinA59-A60 isotropic . . 1 $sample_condition_1 . . . 1 $spectrometer_1 2 $HCN_cold_750 . . . . . . . . . . . . . . 19010 1 4 '3D HNCACB' no . . . . . . . . . . 1 $TitinA59-A60 isotropic . . 1 $sample_condition_1 . . . 1 $spectrometer_1 2 $HCN_cold_750 . . . . . . . . . . . . . . 19010 1 5 (H[N[co[{CA|ca[C]}]]]) no . . . . . . . . . . 1 $TitinA59-A60 isotropic . . 1 $sample_condition_1 . . . 1 $spectrometer_1 2 $HCN_cold_750 . . . . . . . . . . . . . . 19010 1 6 (H[N[ca[CO]]]) no . . . . . . . . . . 1 $TitinA59-A60 isotropic . . 1 $sample_condition_1 . . . 1 $spectrometer_1 2 $HCN_cold_750 . . . . . . . . . . . . . . 19010 1 7 '3D HNCA' no . . . . . . . . . . 1 $TitinA59-A60 isotropic . . 1 $sample_condition_1 . . . 1 $spectrometer_1 2 $HCN_cold_750 . . . . . . . . . . . . . . 19010 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $TitinA59-A60 isotropic . . 1 $sample_condition_1 . . . 1 $spectrometer_1 2 $HCN_cold_750 . . . . . . . . . . . . . . 19010 1 9 '3D HNCACB' no . . . . . . . . . . 1 $TitinA59-A60 isotropic . . 1 $sample_condition_1 . . . 1 $spectrometer_1 2 $HCN_cold_750 . . . . . . . . . . . . . . 19010 1 10 (H[N[co[{CA|ca[C]}]]]) no . . . . . . . . . . 1 $TitinA59-A60 isotropic . . 1 $sample_condition_1 . . . 1 $spectrometer_1 2 $HCN_cold_750 . . . . . . . . . . . . . . 19010 1 11 '3D HNCO' no . . . . . . . . . . 1 $TitinA59-A60 isotropic . . 1 $sample_condition_1 . . . 1 $spectrometer_1 2 $HCN_cold_750 . . . . . . . . . . . . . . 19010 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19010 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19010 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19010 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19010 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19010 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC/HMQC' 1 $TitinA59-A60 isotropic 19010 1 3 '3D HNCA' 1 $TitinA59-A60 isotropic 19010 1 4 '3D HNCACB' 1 $TitinA59-A60 isotropic 19010 1 5 (H[N[co[{CA|ca[C]}]]]) 1 $TitinA59-A60 isotropic 19010 1 6 (H[N[ca[CO]]]) 1 $TitinA59-A60 isotropic 19010 1 8 '3D HN(CO)CA' 1 $TitinA59-A60 isotropic 19010 1 10 (H[N[co[{CA|ca[C]}]]]) 1 $TitinA59-A60 isotropic 19010 1 11 '3D HNCO' 1 $TitinA59-A60 isotropic 19010 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '2H isotope effect' 'all 13C' . . . 19010 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 14 14 LEU H H 1 7.998 0.015 . 1 . 6 . . -6 LEU H . 19010 1 2 . 1 1 14 14 LEU CA C 13 55.355 0.012 . 1 . 3 . . -6 LEU CA . 19010 1 3 . 1 1 14 14 LEU CB C 13 42.202 0.20 . 1 . 5 . . -6 LEU CB . 19010 1 4 . 1 1 14 14 LEU N N 15 122.583 0.06 . 1 . 9 . . -6 LEU N . 19010 1 5 . 1 1 15 15 VAL H H 1 8.028 0.017 . 1 . 17 . . -5 VAL H . 19010 1 6 . 1 1 15 15 VAL C C 13 174.967 0.050 . 1 . 10 . . -5 VAL C . 19010 1 7 . 1 1 15 15 VAL CA C 13 60.121 0.080 . 1 . 13 . . -5 VAL CA . 19010 1 8 . 1 1 15 15 VAL CB C 13 32.506 0.20 . 1 . 14 . . -5 VAL CB . 19010 1 9 . 1 1 15 15 VAL N N 15 123.359 0.102 . 1 . 18 . . -5 VAL N . 19010 1 10 . 1 1 25 25 PRO C C 13 174.945 0.050 . 1 . 19 . . 5 PRO C . 19010 1 11 . 1 1 25 25 PRO CA C 13 62.527 0.001 . 1 . 20 . . 5 PRO CA . 19010 1 12 . 1 1 25 25 PRO CB C 13 32.152 0.20 . 1 . 21 . . 5 PRO CB . 19010 1 13 . 1 1 26 26 ASN H H 1 9.356 0.004 . 1 . 27 . . 6 ASN H . 19010 1 14 . 1 1 26 26 ASN C C 13 174.723 0.050 . 1 . 22 . . 6 ASN C . 19010 1 15 . 1 1 26 26 ASN CA C 13 52.904 0.011 . 1 . 25 . . 6 ASN CA . 19010 1 16 . 1 1 26 26 ASN CB C 13 40.337 0.20 . 1 . 26 . . 6 ASN CB . 19010 1 17 . 1 1 26 26 ASN N N 15 118.672 0.02 . 1 . 28 . . 6 ASN N . 19010 1 18 . 1 1 27 27 ILE H H 1 8.765 0.018 . 1 . 32 . . 7 ILE H . 19010 1 19 . 1 1 27 27 ILE C C 13 177.365 0.050 . 1 . 29 . . 7 ILE C . 19010 1 20 . 1 1 27 27 ILE CA C 13 61.728 0.080 . 1 . 30 . . 7 ILE CA . 19010 1 21 . 1 1 27 27 ILE CB C 13 37.097 0.20 . 1 . 31 . . 7 ILE CB . 19010 1 22 . 1 1 27 27 ILE N N 15 124.482 0.124 . 1 . 33 . . 7 ILE N . 19010 1 23 . 1 1 28 28 VAL H H 1 8.805 0.006 . 1 . 39 . . 8 VAL H . 19010 1 24 . 1 1 28 28 VAL C C 13 176.088 0.050 . 1 . 34 . . 8 VAL C . 19010 1 25 . 1 1 28 28 VAL CA C 13 62.595 0.032 . 1 . 37 . . 8 VAL CA . 19010 1 26 . 1 1 28 28 VAL CB C 13 32.568 0.20 . 1 . 38 . . 8 VAL CB . 19010 1 27 . 1 1 28 28 VAL N N 15 124.902 0.029 . 1 . 40 . . 8 VAL N . 19010 1 28 . 1 1 29 29 ASP H H 1 7.514 0.014 . 1 . 44 . . 9 ASP H . 19010 1 29 . 1 1 29 29 ASP C C 13 173.902 0.050 . 1 . 41 . . 9 ASP C . 19010 1 30 . 1 1 29 29 ASP CA C 13 55.324 0.042 . 1 . 42 . . 9 ASP CA . 19010 1 31 . 1 1 29 29 ASP CB C 13 44.453 0.20 . 1 . 43 . . 9 ASP CB . 19010 1 32 . 1 1 29 29 ASP N N 15 119.739 0.083 . 1 . 45 . . 9 ASP N . 19010 1 33 . 1 1 30 30 VAL H H 1 8.020 0.016 . 1 . 52 . . 10 VAL H . 19010 1 34 . 1 1 30 30 VAL C C 13 174.202 0.050 . 1 . 46 . . 10 VAL C . 19010 1 35 . 1 1 30 30 VAL CA C 13 62.932 0.080 . 1 . 51 . . 10 VAL CA . 19010 1 36 . 1 1 30 30 VAL N N 15 125.350 0.127 . 1 . 53 . . 10 VAL N . 19010 1 37 . 1 1 31 31 ARG H H 1 8.948 0.005 . 1 . 59 . . 11 ARG H . 19010 1 38 . 1 1 31 31 ARG C C 13 176.225 0.050 . 1 . 54 . . 11 ARG C . 19010 1 39 . 1 1 31 31 ARG CA C 13 53.623 0.031 . 1 . 55 . . 11 ARG CA . 19010 1 40 . 1 1 31 31 ARG CB C 13 33.715 0.20 . 1 . 56 . . 11 ARG CB . 19010 1 41 . 1 1 31 31 ARG N N 15 126.002 0.165 . 1 . 60 . . 11 ARG N . 19010 1 42 . 1 1 32 32 HIS H H 1 8.638 0.005 . 1 . 64 . . 12 HIS H . 19010 1 43 . 1 1 32 32 HIS C C 13 172.975 0.050 . 1 . 61 . . 12 HIS C . 19010 1 44 . 1 1 32 32 HIS CA C 13 57.972 0.04 . 1 . 62 . . 12 HIS CA . 19010 1 45 . 1 1 32 32 HIS CB C 13 28.010 0.20 . 1 . 63 . . 12 HIS CB . 19010 1 46 . 1 1 32 32 HIS N N 15 113.260 0.026 . 1 . 67 . . 12 HIS N . 19010 1 47 . 1 1 33 33 ASP H H 1 7.070 0.004 . 1 . 71 . . 13 ASP H . 19010 1 48 . 1 1 33 33 ASP C C 13 177.411 0.050 . 1 . 68 . . 13 ASP C . 19010 1 49 . 1 1 33 33 ASP CA C 13 51.308 0.102 . 1 . 69 . . 13 ASP CA . 19010 1 50 . 1 1 33 33 ASP CB C 13 41.502 0.20 . 1 . 70 . . 13 ASP CB . 19010 1 51 . 1 1 33 33 ASP N N 15 111.292 0.013 . 1 . 72 . . 13 ASP N . 19010 1 52 . 1 1 34 34 SER H H 1 7.166 0.021 . 1 . 76 . . 14 SER H . 19010 1 53 . 1 1 34 34 SER C C 13 171.696 0.050 . 1 . 73 . . 14 SER C . 19010 1 54 . 1 1 34 34 SER CA C 13 57.272 0.076 . 1 . 74 . . 14 SER CA . 19010 1 55 . 1 1 34 34 SER CB C 13 65.781 0.20 . 1 . 75 . . 14 SER CB . 19010 1 56 . 1 1 34 34 SER N N 15 113.916 0.094 . 1 . 79 . . 14 SER N . 19010 1 57 . 1 1 35 35 VAL H H 1 7.982 0.004 . 1 . 83 . . 15 VAL H . 19010 1 58 . 1 1 35 35 VAL C C 13 175.074 0.050 . 1 . 80 . . 15 VAL C . 19010 1 59 . 1 1 35 35 VAL CA C 13 61.345 0.032 . 1 . 81 . . 15 VAL CA . 19010 1 60 . 1 1 35 35 VAL CB C 13 36.983 0.20 . 1 . 82 . . 15 VAL CB . 19010 1 61 . 1 1 35 35 VAL N N 15 118.610 0.03 . 1 . 84 . . 15 VAL N . 19010 1 62 . 1 1 36 36 SER H H 1 8.886 0.007 . 1 . 90 . . 16 SER H . 19010 1 63 . 1 1 36 36 SER C C 13 173.940 0.050 . 1 . 87 . . 16 SER C . 19010 1 64 . 1 1 36 36 SER CA C 13 57.669 0.008 . 1 . 88 . . 16 SER CA . 19010 1 65 . 1 1 36 36 SER CB C 13 63.398 0.20 . 1 . 89 . . 16 SER CB . 19010 1 66 . 1 1 36 36 SER N N 15 122.889 0.079 . 1 . 91 . . 16 SER N . 19010 1 67 . 1 1 37 37 LEU H H 1 9.067 0.004 . 1 . 97 . . 17 LEU H . 19010 1 68 . 1 1 37 37 LEU C C 13 177.115 0.050 . 1 . 92 . . 17 LEU C . 19010 1 69 . 1 1 37 37 LEU CA C 13 55.058 0.035 . 1 . 95 . . 17 LEU CA . 19010 1 70 . 1 1 37 37 LEU CB C 13 46.863 0.20 . 1 . 96 . . 17 LEU CB . 19010 1 71 . 1 1 37 37 LEU N N 15 125.092 0.099 . 1 . 98 . . 17 LEU N . 19010 1 72 . 1 1 38 38 THR H H 1 8.784 0.028 . 1 . 102 . . 18 THR H . 19010 1 73 . 1 1 38 38 THR C C 13 173.211 0.050 . 1 . 99 . . 18 THR C . 19010 1 74 . 1 1 38 38 THR CA C 13 60.298 0.080 . 1 . 100 . . 18 THR CA . 19010 1 75 . 1 1 38 38 THR CB C 13 71.692 0.20 . 1 . 101 . . 18 THR CB . 19010 1 76 . 1 1 38 38 THR N N 15 113.346 0.096 . 1 . 103 . . 18 THR N . 19010 1 77 . 1 1 39 39 TRP C C 13 174.325 0.050 . 1 . 104 . . 19 TRP C . 19010 1 78 . 1 1 39 39 TRP CA C 13 56.919 0.080 . 1 . 105 . . 19 TRP CA . 19010 1 79 . 1 1 40 40 THR H H 1 7.236 0.033 . 1 . 109 . . 20 THR H . 19010 1 80 . 1 1 40 40 THR C C 13 173.519 0.050 . 1 . 106 . . 20 THR C . 19010 1 81 . 1 1 40 40 THR CA C 13 60.118 0.031 . 1 . 107 . . 20 THR CA . 19010 1 82 . 1 1 40 40 THR CB C 13 70.961 0.20 . 1 . 108 . . 20 THR CB . 19010 1 83 . 1 1 40 40 THR N N 15 108.367 0.122 . 1 . 110 . . 20 THR N . 19010 1 84 . 1 1 41 41 ASP H H 1 8.205 0.01 . 1 . 116 . . 21 ASP H . 19010 1 85 . 1 1 41 41 ASP C C 13 175.932 0.050 . 1 . 111 . . 21 ASP C . 19010 1 86 . 1 1 41 41 ASP CA C 13 52.916 0.080 . 1 . 112 . . 21 ASP CA . 19010 1 87 . 1 1 41 41 ASP CB C 13 40.449 0.20 . 1 . 115 . . 21 ASP CB . 19010 1 88 . 1 1 41 41 ASP N N 15 120.408 0.132 . 1 . 117 . . 21 ASP N . 19010 1 89 . 1 1 42 42 PRO C C 13 176.807 0.050 . 1 . 118 . . 22 PRO C . 19010 1 90 . 1 1 42 42 PRO CA C 13 62.714 0.080 . 1 . 119 . . 22 PRO CA . 19010 1 91 . 1 1 42 42 PRO CB C 13 31.935 0.20 . 1 . 120 . . 22 PRO CB . 19010 1 92 . 1 1 43 43 LYS H H 1 8.433 0.005 . 1 . 124 . . 23 LYS H . 19010 1 93 . 1 1 43 43 LYS C C 13 176.807 0.050 . 1 . 121 . . 23 LYS C . 19010 1 94 . 1 1 43 43 LYS CA C 13 57.540 0.009 . 1 . 122 . . 23 LYS CA . 19010 1 95 . 1 1 43 43 LYS CB C 13 32.139 0.20 . 1 . 123 . . 23 LYS CB . 19010 1 96 . 1 1 43 43 LYS N N 15 121.996 0.002 . 1 . 125 . . 23 LYS N . 19010 1 97 . 1 1 44 44 LYS H H 1 8.027 0.009 . 1 . 129 . . 24 LYS H . 19010 1 98 . 1 1 44 44 LYS C C 13 176.987 0.050 . 1 . 126 . . 24 LYS C . 19010 1 99 . 1 1 44 44 LYS CA C 13 55.937 0.008 . 1 . 127 . . 24 LYS CA . 19010 1 100 . 1 1 44 44 LYS CB C 13 32.431 0.20 . 1 . 128 . . 24 LYS CB . 19010 1 101 . 1 1 44 44 LYS N N 15 121.095 0.128 . 1 . 130 . . 24 LYS N . 19010 1 102 . 1 1 45 45 THR H H 1 8.297 0.004 . 1 . 134 . . 25 THR H . 19010 1 103 . 1 1 45 45 THR C C 13 175.962 0.050 . 1 . 131 . . 25 THR C . 19010 1 104 . 1 1 45 45 THR CA C 13 61.931 0.080 . 1 . 132 . . 25 THR CA . 19010 1 105 . 1 1 45 45 THR CB C 13 69.331 0.20 . 1 . 133 . . 25 THR CB . 19010 1 106 . 1 1 45 45 THR N N 15 115.583 0.009 . 1 . 135 . . 25 THR N . 19010 1 107 . 1 1 46 46 GLY H H 1 8.418 0.0 . 1 . 138 . . 26 GLY H . 19010 1 108 . 1 1 46 46 GLY C C 13 175.404 0.050 . 1 . 136 . . 26 GLY C . 19010 1 109 . 1 1 46 46 GLY CA C 13 45.507 0.080 . 1 . 137 . . 26 GLY CA . 19010 1 110 . 1 1 46 46 GLY N N 15 112.215 0.01 . 1 . 139 . . 26 GLY N . 19010 1 111 . 1 1 47 47 GLY H H 1 8.252 0.0 . 1 . 142 . . 27 GLY H . 19010 1 112 . 1 1 47 47 GLY C C 13 174.522 0.050 . 1 . 140 . . 27 GLY C . 19010 1 113 . 1 1 47 47 GLY CA C 13 45.166 0.080 . 1 . 141 . . 27 GLY CA . 19010 1 114 . 1 1 47 47 GLY N N 15 109.032 0.120 . 1 . 143 . . 27 GLY N . 19010 1 115 . 1 1 48 48 SER H H 1 8.174 0.004 . 1 . 153 . . 28 SER H . 19010 1 116 . 1 1 48 48 SER C C 13 174.767 0.050 . 1 . 144 . . 28 SER C . 19010 1 117 . 1 1 48 48 SER CA C 13 58.521 0.003 . 1 . 145 . . 28 SER CA . 19010 1 118 . 1 1 48 48 SER CB C 13 63.694 0.20 . 1 . 146 . . 28 SER CB . 19010 1 119 . 1 1 48 48 SER N N 15 116.256 0.06 . 1 . 154 . . 28 SER N . 19010 1 120 . 1 1 50 50 ILE H H 1 8.292 0.017 . 1 . 158 . . 30 ILE H . 19010 1 121 . 1 1 50 50 ILE C C 13 178.708 0.050 . 1 . 155 . . 30 ILE C . 19010 1 122 . 1 1 50 50 ILE CA C 13 61.160 0.035 . 1 . 156 . . 30 ILE CA . 19010 1 123 . 1 1 50 50 ILE CB C 13 38.580 0.20 . 1 . 157 . . 30 ILE CB . 19010 1 124 . 1 1 50 50 ILE N N 15 122.225 0.018 . 1 . 159 . . 30 ILE N . 19010 1 125 . 1 1 51 51 THR H H 1 8.987 0.021 . 1 . 163 . . 31 THR H . 19010 1 126 . 1 1 51 51 THR C C 13 175.350 0.050 . 1 . 160 . . 31 THR C . 19010 1 127 . 1 1 51 51 THR CA C 13 61.465 0.059 . 1 . 161 . . 31 THR CA . 19010 1 128 . 1 1 51 51 THR CB C 13 68.923 0.20 . 1 . 162 . . 31 THR CB . 19010 1 129 . 1 1 51 51 THR N N 15 119.198 0.039 . 1 . 164 . . 31 THR N . 19010 1 130 . 1 1 52 52 GLY H H 1 7.250 0.006 . 1 . 167 . . 32 GLY H . 19010 1 131 . 1 1 52 52 GLY C C 13 169.949 0.050 . 1 . 165 . . 32 GLY C . 19010 1 132 . 1 1 52 52 GLY CA C 13 44.516 0.080 . 1 . 166 . . 32 GLY CA . 19010 1 133 . 1 1 52 52 GLY N N 15 110.961 0.074 . 1 . 168 . . 32 GLY N . 19010 1 134 . 1 1 53 53 TYR H H 1 8.777 0.006 . 1 . 172 . . 33 TYR H . 19010 1 135 . 1 1 53 53 TYR C C 13 175.512 0.050 . 1 . 169 . . 33 TYR C . 19010 1 136 . 1 1 53 53 TYR CA C 13 56.597 0.049 . 1 . 170 . . 33 TYR CA . 19010 1 137 . 1 1 53 53 TYR CB C 13 42.983 0.20 . 1 . 171 . . 33 TYR CB . 19010 1 138 . 1 1 53 53 TYR N N 15 116.190 0.071 . 1 . 173 . . 33 TYR N . 19010 1 139 . 1 1 54 54 HIS H H 1 8.597 0.012 . 1 . 176 . . 34 HIS H . 19010 1 140 . 1 1 54 54 HIS C C 13 174.233 0.050 . 1 . 174 . . 34 HIS C . 19010 1 141 . 1 1 54 54 HIS CA C 13 54.910 0.080 . 1 . 175 . . 34 HIS CA . 19010 1 142 . 1 1 54 54 HIS N N 15 116.109 0.046 . 1 . 179 . . 34 HIS N . 19010 1 143 . 1 1 55 55 LEU H H 1 8.628 0.023 . 1 . 182 . . 35 LEU H . 19010 1 144 . 1 1 55 55 LEU C C 13 175.707 0.050 . 1 . 180 . . 35 LEU C . 19010 1 145 . 1 1 55 55 LEU CA C 13 53.096 0.080 . 1 . 181 . . 35 LEU CA . 19010 1 146 . 1 1 55 55 LEU N N 15 124.996 0.243 . 1 . 183 . . 35 LEU N . 19010 1 147 . 1 1 56 56 GLU H H 1 9.129 0.005 . 1 . 187 . . 36 GLU H . 19010 1 148 . 1 1 56 56 GLU C C 13 175.314 0.050 . 1 . 184 . . 36 GLU C . 19010 1 149 . 1 1 56 56 GLU CA C 13 53.673 0.019 . 1 . 185 . . 36 GLU CA . 19010 1 150 . 1 1 56 56 GLU CB C 13 35.304 0.20 . 1 . 186 . . 36 GLU CB . 19010 1 151 . 1 1 56 56 GLU N N 15 124.602 0.032 . 1 . 188 . . 36 GLU N . 19010 1 152 . 1 1 57 57 PHE H H 1 9.845 0.009 . 1 . 194 . . 37 PHE H . 19010 1 153 . 1 1 57 57 PHE C C 13 173.343 0.050 . 1 . 189 . . 37 PHE C . 19010 1 154 . 1 1 57 57 PHE CA C 13 55.195 0.05 . 1 . 190 . . 37 PHE CA . 19010 1 155 . 1 1 57 57 PHE CB C 13 45.956 0.20 . 1 . 193 . . 37 PHE CB . 19010 1 156 . 1 1 57 57 PHE N N 15 119.499 0.039 . 1 . 195 . . 37 PHE N . 19010 1 157 . 1 1 58 58 LYS H H 1 8.269 0.005 . 1 . 199 . . 38 LYS H . 19010 1 158 . 1 1 58 58 LYS C C 13 175.796 0.050 . 1 . 196 . . 38 LYS C . 19010 1 159 . 1 1 58 58 LYS CA C 13 55.571 0.018 . 1 . 197 . . 38 LYS CA . 19010 1 160 . 1 1 58 58 LYS CB C 13 35.278 0.20 . 1 . 198 . . 38 LYS CB . 19010 1 161 . 1 1 58 58 LYS N N 15 116.562 0.042 . 1 . 200 . . 38 LYS N . 19010 1 162 . 1 1 59 59 GLU H H 1 8.792 0.008 . 1 . 204 . . 39 GLU H . 19010 1 163 . 1 1 59 59 GLU C C 13 179.374 0.050 . 1 . 201 . . 39 GLU C . 19010 1 164 . 1 1 59 59 GLU CA C 13 56.389 0.048 . 1 . 202 . . 39 GLU CA . 19010 1 165 . 1 1 59 59 GLU CB C 13 29.252 0.20 . 1 . 203 . . 39 GLU CB . 19010 1 166 . 1 1 59 59 GLU N N 15 125.575 0.13 . 1 . 207 . . 39 GLU N . 19010 1 167 . 1 1 60 60 ARG H H 1 8.446 0.011 . 1 . 213 . . 40 ARG H . 19010 1 168 . 1 1 60 60 ARG C C 13 177.179 0.050 . 1 . 208 . . 40 ARG C . 19010 1 169 . 1 1 60 60 ARG CA C 13 58.946 0.027 . 1 . 211 . . 40 ARG CA . 19010 1 170 . 1 1 60 60 ARG CB C 13 30.220 0.20 . 1 . 212 . . 40 ARG CB . 19010 1 171 . 1 1 60 60 ARG N N 15 126.402 0.115 . 1 . 214 . . 40 ARG N . 19010 1 172 . 1 1 61 61 ASN H H 1 8.331 0.018 . 1 . 218 . . 41 ASN H . 19010 1 173 . 1 1 61 61 ASN C C 13 175.365 0.050 . 1 . 215 . . 41 ASN C . 19010 1 174 . 1 1 61 61 ASN CA C 13 53.725 0.121 . 1 . 216 . . 41 ASN CA . 19010 1 175 . 1 1 61 61 ASN CB C 13 37.896 0.20 . 1 . 217 . . 41 ASN CB . 19010 1 176 . 1 1 61 61 ASN N N 15 114.203 0.098 . 1 . 219 . . 41 ASN N . 19010 1 177 . 1 1 62 62 SER H H 1 7.598 0.006 . 1 . 223 . . 42 SER H . 19010 1 178 . 1 1 62 62 SER C C 13 174.176 0.050 . 1 . 220 . . 42 SER C . 19010 1 179 . 1 1 62 62 SER CA C 13 57.166 0.080 . 1 . 221 . . 42 SER CA . 19010 1 180 . 1 1 62 62 SER CB C 13 63.888 0.20 . 1 . 222 . . 42 SER CB . 19010 1 181 . 1 1 62 62 SER N N 15 116.079 0.051 . 1 . 224 . . 42 SER N . 19010 1 182 . 1 1 63 63 LEU C C 13 177.725 0.050 . 1 . 227 . . 43 LEU C . 19010 1 183 . 1 1 63 63 LEU CA C 13 55.500 0.080 . 1 . 228 . . 43 LEU CA . 19010 1 184 . 1 1 63 63 LEU CB C 13 42.950 0.20 . 1 . 229 . . 43 LEU CB . 19010 1 185 . 1 1 64 64 LEU H H 1 7.566 0.006 . 1 . 233 . . 44 LEU H . 19010 1 186 . 1 1 64 64 LEU C C 13 175.900 0.050 . 1 . 230 . . 44 LEU C . 19010 1 187 . 1 1 64 64 LEU CA C 13 54.118 0.056 . 1 . 231 . . 44 LEU CA . 19010 1 188 . 1 1 64 64 LEU CB C 13 43.046 0.20 . 1 . 232 . . 44 LEU CB . 19010 1 189 . 1 1 64 64 LEU N N 15 121.071 0.021 . 1 . 234 . . 44 LEU N . 19010 1 190 . 1 1 65 65 TRP H H 1 8.288 0.032 . 1 . 239 . . 45 TRP H . 19010 1 191 . 1 1 65 65 TRP C C 13 176.949 0.050 . 1 . 235 . . 45 TRP C . 19010 1 192 . 1 1 65 65 TRP CA C 13 57.882 0.102 . 1 . 237 . . 45 TRP CA . 19010 1 193 . 1 1 65 65 TRP CB C 13 29.568 0.20 . 1 . 238 . . 45 TRP CB . 19010 1 194 . 1 1 65 65 TRP N N 15 125.855 0.125 . 1 . 240 . . 45 TRP N . 19010 1 195 . 1 1 66 66 LYS H H 1 8.828 0.004 . 1 . 244 . . 46 LYS H . 19010 1 196 . 1 1 66 66 LYS C C 13 176.072 0.050 . 1 . 241 . . 46 LYS C . 19010 1 197 . 1 1 66 66 LYS CA C 13 55.017 0.067 . 1 . 242 . . 46 LYS CA . 19010 1 198 . 1 1 66 66 LYS CB C 13 34.164 0.20 . 1 . 243 . . 46 LYS CB . 19010 1 199 . 1 1 66 66 LYS N N 15 124.306 0.056 . 1 . 245 . . 46 LYS N . 19010 1 200 . 1 1 67 67 ARG H H 1 8.698 0.007 . 1 . 251 . . 47 ARG H . 19010 1 201 . 1 1 67 67 ARG C C 13 177.582 0.050 . 1 . 246 . . 47 ARG C . 19010 1 202 . 1 1 67 67 ARG CA C 13 56.361 0.013 . 1 . 249 . . 47 ARG CA . 19010 1 203 . 1 1 67 67 ARG CB C 13 29.952 0.20 . 1 . 250 . . 47 ARG CB . 19010 1 204 . 1 1 67 67 ARG N N 15 123.050 0.037 . 1 . 252 . . 47 ARG N . 19010 1 205 . 1 1 68 68 ALA H H 1 9.563 0.004 . 1 . 258 . . 48 ALA H . 19010 1 206 . 1 1 68 68 ALA C C 13 177.116 0.050 . 1 . 255 . . 48 ALA C . 19010 1 207 . 1 1 68 68 ALA CA C 13 53.459 0.080 . 1 . 256 . . 48 ALA CA . 19010 1 208 . 1 1 68 68 ALA CB C 13 21.417 0.20 . 1 . 257 . . 48 ALA CB . 19010 1 209 . 1 1 68 68 ALA N N 15 127.992 0.064 . 1 . 259 . . 48 ALA N . 19010 1 210 . 1 1 69 69 ASN C C 13 176.476 0.050 . 1 . 260 . . 49 ASN C . 19010 1 211 . 1 1 69 69 ASN CA C 13 53.440 0.080 . 1 . 261 . . 49 ASN CA . 19010 1 212 . 1 1 70 70 LYS H H 1 8.701 0.002 . 1 . 266 . . 50 LYS H . 19010 1 213 . 1 1 70 70 LYS CA C 13 57.758 0.080 . 1 . 262 . . 50 LYS CA . 19010 1 214 . 1 1 70 70 LYS CB C 13 33.910 0.20 . 1 . 265 . . 50 LYS CB . 19010 1 215 . 1 1 70 70 LYS N N 15 112.141 0.026 . 1 . 267 . . 50 LYS N . 19010 1 216 . 1 1 72 72 PRO CA C 13 62.955 0.080 . 1 . 268 . . 52 PRO CA . 19010 1 217 . 1 1 72 72 PRO CB C 13 31.998 0.20 . 1 . 269 . . 52 PRO CB . 19010 1 218 . 1 1 73 73 ILE H H 1 8.213 0.003 . 1 . 274 . . 53 ILE H . 19010 1 219 . 1 1 73 73 ILE CA C 13 61.191 0.080 . 1 . 270 . . 53 ILE CA . 19010 1 220 . 1 1 73 73 ILE CB C 13 39.031 0.20 . 1 . 273 . . 53 ILE CB . 19010 1 221 . 1 1 73 73 ILE N N 15 122.004 0.056 . 1 . 275 . . 53 ILE N . 19010 1 222 . 1 1 74 74 ARG CA C 13 56.321 0.080 . 1 . 276 . . 54 ARG CA . 19010 1 223 . 1 1 74 74 ARG CB C 13 30.277 0.20 . 1 . 281 . . 54 ARG CB . 19010 1 224 . 1 1 75 75 MET H H 1 7.588 0.008 . 1 . 289 . . 55 MET H . 19010 1 225 . 1 1 75 75 MET C C 13 173.737 0.050 . 1 . 282 . . 55 MET C . 19010 1 226 . 1 1 75 75 MET CA C 13 54.485 0.008 . 1 . 283 . . 55 MET CA . 19010 1 227 . 1 1 75 75 MET CB C 13 33.315 0.20 . 1 . 284 . . 55 MET CB . 19010 1 228 . 1 1 75 75 MET N N 15 118.765 0.032 . 1 . 290 . . 55 MET N . 19010 1 229 . 1 1 76 76 ARG H H 1 7.612 0.01 . 1 . 294 . . 56 ARG H . 19010 1 230 . 1 1 76 76 ARG C C 13 173.825 0.050 . 1 . 291 . . 56 ARG C . 19010 1 231 . 1 1 76 76 ARG CA C 13 54.625 0.0 . 1 . 292 . . 56 ARG CA . 19010 1 232 . 1 1 76 76 ARG CB C 13 33.169 0.20 . 1 . 293 . . 56 ARG CB . 19010 1 233 . 1 1 76 76 ARG N N 15 117.790 0.036 . 1 . 297 . . 56 ARG N . 19010 1 234 . 1 1 77 77 ASP H H 1 6.571 0.011 . 1 . 301 . . 57 ASP H . 19010 1 235 . 1 1 77 77 ASP C C 13 174.648 0.050 . 1 . 298 . . 57 ASP C . 19010 1 236 . 1 1 77 77 ASP CA C 13 53.276 0.02 . 1 . 299 . . 57 ASP CA . 19010 1 237 . 1 1 77 77 ASP CB C 13 44.462 0.20 . 1 . 300 . . 57 ASP CB . 19010 1 238 . 1 1 77 77 ASP N N 15 115.638 0.006 . 1 . 302 . . 57 ASP N . 19010 1 239 . 1 1 78 78 PHE H H 1 8.327 0.007 . 1 . 306 . . 58 PHE H . 19010 1 240 . 1 1 78 78 PHE C C 13 172.518 0.050 . 1 . 303 . . 58 PHE C . 19010 1 241 . 1 1 78 78 PHE CA C 13 59.452 0.032 . 1 . 304 . . 58 PHE CA . 19010 1 242 . 1 1 78 78 PHE CB C 13 43.934 0.20 . 1 . 305 . . 58 PHE CB . 19010 1 243 . 1 1 78 78 PHE N N 15 119.356 0.026 . 1 . 309 . . 58 PHE N . 19010 1 244 . 1 1 79 79 LYS H H 1 7.146 0.026 . 1 . 313 . . 59 LYS H . 19010 1 245 . 1 1 79 79 LYS C C 13 174.382 0.050 . 1 . 310 . . 59 LYS C . 19010 1 246 . 1 1 79 79 LYS CA C 13 54.840 0.078 . 1 . 311 . . 59 LYS CA . 19010 1 247 . 1 1 79 79 LYS CB C 13 33.862 0.20 . 1 . 312 . . 59 LYS CB . 19010 1 248 . 1 1 79 79 LYS N N 15 127.974 0.136 . 1 . 314 . . 59 LYS N . 19010 1 249 . 1 1 80 80 VAL H H 1 8.941 0.026 . 1 . 322 . . 60 VAL H . 19010 1 250 . 1 1 80 80 VAL C C 13 175.724 0.050 . 1 . 319 . . 60 VAL C . 19010 1 251 . 1 1 80 80 VAL CA C 13 62.617 0.023 . 1 . 320 . . 60 VAL CA . 19010 1 252 . 1 1 80 80 VAL CB C 13 31.562 0.20 . 1 . 321 . . 60 VAL CB . 19010 1 253 . 1 1 80 80 VAL N N 15 129.682 0.1 . 1 . 323 . . 60 VAL N . 19010 1 254 . 1 1 81 81 THR H H 1 7.826 0.009 . 1 . 329 . . 61 THR H . 19010 1 255 . 1 1 81 81 THR C C 13 174.672 0.050 . 1 . 324 . . 61 THR C . 19010 1 256 . 1 1 81 81 THR CA C 13 59.931 0.007 . 1 . 325 . . 61 THR CA . 19010 1 257 . 1 1 81 81 THR CB C 13 70.466 0.20 . 1 . 326 . . 61 THR CB . 19010 1 258 . 1 1 81 81 THR N N 15 116.846 0.114 . 1 . 330 . . 61 THR N . 19010 1 259 . 1 1 82 82 GLY H H 1 8.388 0.004 . 1 . 335 . . 62 GLY H . 19010 1 260 . 1 1 82 82 GLY C C 13 176.267 0.050 . 1 . 333 . . 62 GLY C . 19010 1 261 . 1 1 82 82 GLY CA C 13 45.904 0.049 . 1 . 334 . . 62 GLY CA . 19010 1 262 . 1 1 82 82 GLY N N 15 107.044 0.019 . 1 . 336 . . 62 GLY N . 19010 1 263 . 1 1 83 83 LEU H H 1 7.610 0.008 . 1 . 339 . . 63 LEU H . 19010 1 264 . 1 1 83 83 LEU CA C 13 54.191 0.06 . 1 . 337 . . 63 LEU CA . 19010 1 265 . 1 1 83 83 LEU CB C 13 40.033 0.20 . 1 . 338 . . 63 LEU CB . 19010 1 266 . 1 1 83 83 LEU N N 15 119.477 0.087 . 1 . 340 . . 63 LEU N . 19010 1 267 . 1 1 84 84 THR H H 1 8.478 0.007 . 1 . 356 . . 64 THR H . 19010 1 268 . 1 1 84 84 THR C C 13 173.012 0.050 . 1 . 347 . . 64 THR C . 19010 1 269 . 1 1 84 84 THR CA C 13 62.903 0.017 . 1 . 348 . . 64 THR CA . 19010 1 270 . 1 1 84 84 THR CB C 13 69.952 0.20 . 1 . 355 . . 64 THR CB . 19010 1 271 . 1 1 84 84 THR N N 15 119.599 0.037 . 1 . 363 . . 64 THR N . 19010 1 272 . 1 1 85 85 GLU H H 1 8.142 0.008 . 1 . 372 . . 65 GLU H . 19010 1 273 . 1 1 85 85 GLU C C 13 178.807 0.050 . 1 . 364 . . 65 GLU C . 19010 1 274 . 1 1 85 85 GLU CA C 13 57.579 0.015 . 1 . 366 . . 65 GLU CA . 19010 1 275 . 1 1 85 85 GLU CB C 13 29.817 0.20 . 1 . 371 . . 65 GLU CB . 19010 1 276 . 1 1 85 85 GLU N N 15 129.433 0.051 . 1 . 377 . . 65 GLU N . 19010 1 277 . 1 1 86 86 GLY H H 1 9.910 0.026 . 1 . 385 . . 66 GLY H . 19010 1 278 . 1 1 86 86 GLY C C 13 174.462 0.050 . 1 . 379 . . 66 GLY C . 19010 1 279 . 1 1 86 86 GLY CA C 13 44.732 0.161 . 1 . 381 . . 66 GLY CA . 19010 1 280 . 1 1 86 86 GLY N N 15 114.466 0.076 . 1 . 386 . . 66 GLY N . 19010 1 281 . 1 1 87 87 LEU H H 1 7.772 0.014 . 1 . 406 . . 67 LEU H . 19010 1 282 . 1 1 87 87 LEU C C 13 174.621 0.050 . 1 . 395 . . 67 LEU C . 19010 1 283 . 1 1 87 87 LEU CA C 13 54.376 0.080 . 1 . 396 . . 67 LEU CA . 19010 1 284 . 1 1 87 87 LEU CB C 13 40.813 0.20 . 1 . 405 . . 67 LEU CB . 19010 1 285 . 1 1 87 87 LEU N N 15 122.031 0.073 . 1 . 408 . . 67 LEU N . 19010 1 286 . 1 1 88 88 GLU H H 1 8.113 0.02 . 1 . 421 . . 68 GLU H . 19010 1 287 . 1 1 88 88 GLU C C 13 176.014 0.050 . 1 . 415 . . 68 GLU C . 19010 1 288 . 1 1 88 88 GLU CA C 13 54.541 0.019 . 1 . 416 . . 68 GLU CA . 19010 1 289 . 1 1 88 88 GLU CB C 13 32.285 0.20 . 1 . 417 . . 68 GLU CB . 19010 1 290 . 1 1 88 88 GLU N N 15 120.761 0.154 . 1 . 434 . . 68 GLU N . 19010 1 291 . 1 1 89 89 TYR H H 1 9.244 0.008 . 1 . 449 . . 69 TYR H . 19010 1 292 . 1 1 89 89 TYR C C 13 174.952 0.050 . 1 . 436 . . 69 TYR C . 19010 1 293 . 1 1 89 89 TYR CA C 13 57.897 0.036 . 1 . 445 . . 69 TYR CA . 19010 1 294 . 1 1 89 89 TYR CB C 13 44.507 0.20 . 1 . 448 . . 69 TYR CB . 19010 1 295 . 1 1 89 89 TYR N N 15 124.005 0.047 . 1 . 452 . . 69 TYR N . 19010 1 296 . 1 1 90 90 GLU H H 1 8.391 0.006 . 1 . 460 . . 70 GLU H . 19010 1 297 . 1 1 90 90 GLU C C 13 174.660 0.050 . 1 . 453 . . 70 GLU C . 19010 1 298 . 1 1 90 90 GLU CA C 13 54.974 0.017 . 1 . 455 . . 70 GLU CA . 19010 1 299 . 1 1 90 90 GLU CB C 13 34.755 0.20 . 1 . 456 . . 70 GLU CB . 19010 1 300 . 1 1 90 90 GLU N N 15 116.561 0.06 . 1 . 462 . . 70 GLU N . 19010 1 301 . 1 1 91 91 PHE H H 1 8.085 0.004 . 1 . 488 . . 71 PHE H . 19010 1 302 . 1 1 91 91 PHE C C 13 175.102 0.050 . 1 . 466 . . 71 PHE C . 19010 1 303 . 1 1 91 91 PHE CA C 13 57.511 0.007 . 1 . 483 . . 71 PHE CA . 19010 1 304 . 1 1 91 91 PHE CB C 13 43.959 0.20 . 1 . 485 . . 71 PHE CB . 19010 1 305 . 1 1 91 91 PHE N N 15 115.559 0.02 . 1 . 492 . . 71 PHE N . 19010 1 306 . 1 1 92 92 ARG H H 1 9.456 0.006 . 1 . 517 . . 72 ARG H . 19010 1 307 . 1 1 92 92 ARG C C 13 172.098 0.050 . 1 . 498 . . 72 ARG C . 19010 1 308 . 1 1 92 92 ARG CA C 13 55.376 0.064 . 1 . 513 . . 72 ARG CA . 19010 1 309 . 1 1 92 92 ARG CB C 13 32.407 0.20 . 1 . 515 . . 72 ARG CB . 19010 1 310 . 1 1 92 92 ARG N N 15 118.550 0.089 . 1 . 521 . . 72 ARG N . 19010 1 311 . 1 1 93 93 VAL H H 1 8.232 0.013 . 1 . 529 . . 73 VAL H . 19010 1 312 . 1 1 93 93 VAL CA C 13 59.165 0.017 . 1 . 527 . . 73 VAL CA . 19010 1 313 . 1 1 93 93 VAL N N 15 118.948 0.114 . 1 . 534 . . 73 VAL N . 19010 1 314 . 1 1 95 95 ALA C C 13 176.341 0.050 . 1 . 538 . . 75 ALA C . 19010 1 315 . 1 1 95 95 ALA CA C 13 51.333 0.016 . 1 . 540 . . 75 ALA CA . 19010 1 316 . 1 1 95 95 ALA CB C 13 20.356 0.20 . 1 . 543 . . 75 ALA CB . 19010 1 317 . 1 1 96 96 ILE H H 1 8.376 0.011 . 1 . 562 . . 76 ILE H . 19010 1 318 . 1 1 96 96 ILE C C 13 175.309 0.050 . 1 . 544 . . 76 ILE C . 19010 1 319 . 1 1 96 96 ILE CA C 13 60.825 0.080 . 1 . 545 . . 76 ILE CA . 19010 1 320 . 1 1 96 96 ILE CB C 13 39.209 0.20 . 1 . 558 . . 76 ILE CB . 19010 1 321 . 1 1 96 96 ILE N N 15 123.692 0.029 . 1 . 564 . . 76 ILE N . 19010 1 322 . 1 1 97 97 ASN H H 1 8.295 0.01 . 1 . 576 . . 77 ASN H . 19010 1 323 . 1 1 97 97 ASN C C 13 177.211 0.050 . 1 . 565 . . 77 ASN C . 19010 1 324 . 1 1 97 97 ASN CA C 13 51.555 0.080 . 1 . 568 . . 77 ASN CA . 19010 1 325 . 1 1 97 97 ASN CB C 13 39.943 0.20 . 1 . 575 . . 77 ASN CB . 19010 1 326 . 1 1 97 97 ASN N N 15 124.969 0.042 . 1 . 581 . . 77 ASN N . 19010 1 327 . 1 1 98 98 LEU H H 1 8.158 0.012 . 1 . 611 . . 78 LEU H . 19010 1 328 . 1 1 98 98 LEU C C 13 178.381 0.050 . 1 . 586 . . 78 LEU C . 19010 1 329 . 1 1 98 98 LEU CA C 13 57.793 0.080 . 1 . 603 . . 78 LEU CA . 19010 1 330 . 1 1 98 98 LEU CB C 13 41.205 0.20 . 1 . 606 . . 78 LEU CB . 19010 1 331 . 1 1 98 98 LEU N N 15 119.997 0.067 . 1 . 612 . . 78 LEU N . 19010 1 332 . 1 1 99 99 ALA H H 1 7.741 0.007 . 1 . 624 . . 79 ALA H . 19010 1 333 . 1 1 99 99 ALA C C 13 177.930 0.050 . 1 . 613 . . 79 ALA C . 19010 1 334 . 1 1 99 99 ALA CA C 13 52.582 0.102 . 1 . 614 . . 79 ALA CA . 19010 1 335 . 1 1 99 99 ALA CB C 13 19.017 0.20 . 1 . 621 . . 79 ALA CB . 19010 1 336 . 1 1 99 99 ALA N N 15 119.977 0.016 . 1 . 631 . . 79 ALA N . 19010 1 337 . 1 1 100 100 GLY H H 1 7.794 0.01 . 1 . 641 . . 80 GLY H . 19010 1 338 . 1 1 100 100 GLY C C 13 173.024 0.050 . 1 . 633 . . 80 GLY C . 19010 1 339 . 1 1 100 100 GLY CA C 13 44.670 0.031 . 1 . 640 . . 80 GLY CA . 19010 1 340 . 1 1 100 100 GLY N N 15 108.035 0.024 . 1 . 643 . . 80 GLY N . 19010 1 341 . 1 1 101 101 VAL H H 1 8.231 0.012 . 1 . 668 . . 81 VAL H . 19010 1 342 . 1 1 101 101 VAL C C 13 177.179 0.050 . 1 . 652 . . 81 VAL C . 19010 1 343 . 1 1 101 101 VAL CA C 13 62.825 0.080 . 1 . 654 . . 81 VAL CA . 19010 1 344 . 1 1 101 101 VAL CB C 13 32.326 0.20 . 1 . 661 . . 81 VAL CB . 19010 1 345 . 1 1 101 101 VAL N N 15 122.209 0.037 . 1 . 672 . . 81 VAL N . 19010 1 346 . 1 1 102 102 GLY H H 1 8.703 0.027 . 1 . 686 . . 82 GLY H . 19010 1 347 . 1 1 102 102 GLY C C 13 173.145 0.050 . 1 . 675 . . 82 GLY C . 19010 1 348 . 1 1 102 102 GLY CA C 13 44.452 0.080 . 1 . 681 . . 82 GLY CA . 19010 1 349 . 1 1 102 102 GLY N N 15 116.068 0.05 . 1 . 687 . . 82 GLY N . 19010 1 350 . 1 1 104 104 PRO C C 13 176.860 0.050 . 1 . 688 . . 84 PRO C . 19010 1 351 . 1 1 104 104 PRO CA C 13 62.243 0.080 . 1 . 690 . . 84 PRO CA . 19010 1 352 . 1 1 104 104 PRO CB C 13 31.432 0.20 . 1 . 699 . . 84 PRO CB . 19010 1 353 . 1 1 105 105 SER H H 1 8.598 0.028 . 1 . 713 . . 85 SER H . 19010 1 354 . 1 1 105 105 SER C C 13 175.397 0.050 . 1 . 705 . . 85 SER C . 19010 1 355 . 1 1 105 105 SER CA C 13 58.070 0.043 . 1 . 708 . . 85 SER CA . 19010 1 356 . 1 1 105 105 SER CB C 13 66.977 0.20 . 1 . 710 . . 85 SER CB . 19010 1 357 . 1 1 105 105 SER N N 15 115.106 0.168 . 1 . 714 . . 85 SER N . 19010 1 358 . 1 1 106 106 LEU H H 1 8.656 0.031 . 1 . 726 . . 86 LEU H . 19010 1 359 . 1 1 106 106 LEU C C 13 176.059 0.050 . 1 . 716 . . 86 LEU C . 19010 1 360 . 1 1 106 106 LEU CA C 13 54.697 0.080 . 1 . 717 . . 86 LEU CA . 19010 1 361 . 1 1 106 106 LEU CB C 13 40.603 0.20 . 1 . 724 . . 86 LEU CB . 19010 1 362 . 1 1 106 106 LEU N N 15 120.604 0.094 . 1 . 727 . . 86 LEU N . 19010 1 363 . 1 1 107 107 PRO C C 13 178.226 0.050 . 1 . 729 . . 87 PRO C . 19010 1 364 . 1 1 107 107 PRO CA C 13 62.357 0.080 . 1 . 730 . . 87 PRO CA . 19010 1 365 . 1 1 107 107 PRO CB C 13 32.884 0.20 . 1 . 735 . . 87 PRO CB . 19010 1 366 . 1 1 108 108 SER H H 1 9.511 0.006 . 1 . 748 . . 88 SER H . 19010 1 367 . 1 1 108 108 SER C C 13 173.950 0.050 . 1 . 737 . . 88 SER C . 19010 1 368 . 1 1 108 108 SER CA C 13 58.538 0.091 . 1 . 738 . . 88 SER CA . 19010 1 369 . 1 1 108 108 SER CB C 13 65.827 0.20 . 1 . 746 . . 88 SER CB . 19010 1 370 . 1 1 108 108 SER N N 15 115.450 0.053 . 1 . 749 . . 88 SER N . 19010 1 371 . 1 1 109 109 GLU H H 1 8.516 0.018 . 1 . 793 . . 89 GLU H . 19010 1 372 . 1 1 109 109 GLU C C 13 175.302 0.050 . 1 . 756 . . 89 GLU C . 19010 1 373 . 1 1 109 109 GLU CA C 13 55.637 0.080 . 1 . 777 . . 89 GLU CA . 19010 1 374 . 1 1 109 109 GLU CB C 13 28.535 0.20 . 1 . 780 . . 89 GLU CB . 19010 1 375 . 1 1 109 109 GLU N N 15 120.497 0.034 . 1 . 805 . . 89 GLU N . 19010 1 376 . 1 1 110 110 PRO C C 13 177.924 0.050 . 1 . 811 . . 90 PRO C . 19010 1 377 . 1 1 110 110 PRO CA C 13 62.253 0.080 . 1 . 822 . . 90 PRO CA . 19010 1 378 . 1 1 110 110 PRO CB C 13 31.696 0.20 . 1 . 826 . . 90 PRO CB . 19010 1 379 . 1 1 111 111 VAL H H 1 9.125 0.013 . 1 . 837 . . 91 VAL H . 19010 1 380 . 1 1 111 111 VAL C C 13 174.287 0.050 . 1 . 828 . . 91 VAL C . 19010 1 381 . 1 1 111 111 VAL CA C 13 60.089 0.049 . 1 . 832 . . 91 VAL CA . 19010 1 382 . 1 1 111 111 VAL N N 15 119.911 0.055 . 1 . 838 . . 91 VAL N . 19010 1 383 . 1 1 112 112 VAL H H 1 8.330 0.025 . 1 . 855 . . 92 VAL H . 19010 1 384 . 1 1 112 112 VAL C C 13 176.517 0.050 . 1 . 845 . . 92 VAL C . 19010 1 385 . 1 1 112 112 VAL CA C 13 61.036 0.059 . 1 . 846 . . 92 VAL CA . 19010 1 386 . 1 1 112 112 VAL CB C 13 32.306 0.20 . 1 . 849 . . 92 VAL CB . 19010 1 387 . 1 1 112 112 VAL N N 15 126.447 0.062 . 1 . 857 . . 92 VAL N . 19010 1 388 . 1 1 113 113 ALA H H 1 8.390 0.006 . 1 . 880 . . 93 ALA H . 19010 1 389 . 1 1 113 113 ALA C C 13 174.993 0.050 . 1 . 859 . . 93 ALA C . 19010 1 390 . 1 1 113 113 ALA CA C 13 53.466 0.182 . 1 . 865 . . 93 ALA CA . 19010 1 391 . 1 1 113 113 ALA CB C 13 16.841 0.20 . 1 . 875 . . 93 ALA CB . 19010 1 392 . 1 1 113 113 ALA N N 15 131.466 0.078 . 1 . 886 . . 93 ALA N . 19010 1 393 . 1 1 114 114 LEU H H 1 7.002 0.006 . 1 . 896 . . 94 LEU H . 19010 1 394 . 1 1 114 114 LEU C C 13 176.670 0.050 . 1 . 891 . . 94 LEU C . 19010 1 395 . 1 1 114 114 LEU CA C 13 53.606 0.006 . 1 . 894 . . 94 LEU CA . 19010 1 396 . 1 1 114 114 LEU CB C 13 47.496 0.20 . 1 . 895 . . 94 LEU CB . 19010 1 397 . 1 1 114 114 LEU N N 15 128.692 0.044 . 1 . 897 . . 94 LEU N . 19010 1 398 . 1 1 115 115 ASP H H 1 9.223 0.018 . 1 . 902 . . 95 ASP H . 19010 1 399 . 1 1 115 115 ASP C C 13 175.253 0.050 . 1 . 899 . . 95 ASP C . 19010 1 400 . 1 1 115 115 ASP CA C 13 51.787 0.080 . 1 . 900 . . 95 ASP CA . 19010 1 401 . 1 1 115 115 ASP CB C 13 39.450 0.20 . 1 . 901 . . 95 ASP CB . 19010 1 402 . 1 1 115 115 ASP N N 15 121.709 0.09 . 1 . 903 . . 95 ASP N . 19010 1 403 . 1 1 116 116 PRO CA C 13 62.240 0.080 . 1 . 904 . . 96 PRO CA . 19010 1 404 . 1 1 116 116 PRO CB C 13 31.484 0.20 . 1 . 905 . . 96 PRO CB . 19010 1 405 . 1 1 117 117 ILE H H 1 7.796 0.012 . 1 . 909 . . 97 ILE H . 19010 1 406 . 1 1 117 117 ILE C C 13 176.768 0.050 . 1 . 906 . . 97 ILE C . 19010 1 407 . 1 1 117 117 ILE CA C 13 60.684 0.042 . 1 . 907 . . 97 ILE CA . 19010 1 408 . 1 1 117 117 ILE CB C 13 40.365 0.20 . 1 . 908 . . 97 ILE CB . 19010 1 409 . 1 1 117 117 ILE N N 15 122.188 0.061 . 1 . 910 . . 97 ILE N . 19010 1 410 . 1 1 118 118 ASP H H 1 7.995 0.013 . 1 . 914 . . 98 ASP H . 19010 1 411 . 1 1 118 118 ASP C C 13 172.949 0.050 . 1 . 911 . . 98 ASP C . 19010 1 412 . 1 1 118 118 ASP CA C 13 54.172 0.080 . 1 . 912 . . 98 ASP CA . 19010 1 413 . 1 1 118 118 ASP CB C 13 40.647 0.20 . 1 . 913 . . 98 ASP CB . 19010 1 414 . 1 1 118 118 ASP N N 15 128.968 0.125 . 1 . 915 . . 98 ASP N . 19010 1 415 . 1 1 120 120 PRO C C 13 174.946 0.050 . 1 . 916 . . 100 PRO C . 19010 1 416 . 1 1 120 120 PRO CA C 13 61.846 0.080 . 1 . 917 . . 100 PRO CA . 19010 1 417 . 1 1 121 121 GLY H H 1 7.856 0.004 . 1 . 919 . . 101 GLY H . 19010 1 418 . 1 1 121 121 GLY CA C 13 44.739 0.080 . 1 . 918 . . 101 GLY CA . 19010 1 419 . 1 1 121 121 GLY N N 15 106.344 0.014 . 1 . 920 . . 101 GLY N . 19010 1 420 . 1 1 122 122 LYS H H 1 7.638 0.008 . 1 . 923 . . 102 LYS H . 19010 1 421 . 1 1 122 122 LYS CA C 13 54.480 0.0 . 1 . 921 . . 102 LYS CA . 19010 1 422 . 1 1 122 122 LYS CB C 13 33.493 0.20 . 1 . 922 . . 102 LYS CB . 19010 1 423 . 1 1 122 122 LYS N N 15 119.358 0.069 . 1 . 924 . . 102 LYS N . 19010 1 424 . 1 1 126 126 ILE H H 1 8.555 0.025 . 1 . 927 . . 106 ILE H . 19010 1 425 . 1 1 126 126 ILE C C 13 176.422 0.050 . 1 . 925 . . 106 ILE C . 19010 1 426 . 1 1 126 126 ILE CA C 13 60.725 0.080 . 1 . 926 . . 106 ILE CA . 19010 1 427 . 1 1 126 126 ILE N N 15 122.350 0.171 . 1 . 928 . . 106 ILE N . 19010 1 428 . 1 1 127 127 ASN H H 1 7.531 0.009 . 1 . 931 . . 107 ASN H . 19010 1 429 . 1 1 127 127 ASN C C 13 172.870 0.050 . 1 . 929 . . 107 ASN C . 19010 1 430 . 1 1 127 127 ASN CA C 13 54.499 0.01 . 1 . 930 . . 107 ASN CA . 19010 1 431 . 1 1 127 127 ASN N N 15 118.666 0.120 . 1 . 932 . . 107 ASN N . 19010 1 432 . 1 1 128 128 ILE H H 1 8.166 0.012 . 1 . 936 . . 108 ILE H . 19010 1 433 . 1 1 128 128 ILE C C 13 175.535 0.050 . 1 . 933 . . 108 ILE C . 19010 1 434 . 1 1 128 128 ILE CA C 13 62.149 0.057 . 1 . 934 . . 108 ILE CA . 19010 1 435 . 1 1 128 128 ILE CB C 13 42.540 0.20 . 1 . 935 . . 108 ILE CB . 19010 1 436 . 1 1 128 128 ILE N N 15 125.516 0.073 . 1 . 937 . . 108 ILE N . 19010 1 437 . 1 1 129 129 THR H H 1 8.915 0.01 . 1 . 940 . . 109 THR H . 19010 1 438 . 1 1 129 129 THR C C 13 174.565 0.050 . 1 . 938 . . 109 THR C . 19010 1 439 . 1 1 129 129 THR CA C 13 60.395 0.080 . 1 . 939 . . 109 THR CA . 19010 1 440 . 1 1 129 129 THR N N 15 118.819 0.143 . 1 . 941 . . 109 THR N . 19010 1 441 . 1 1 130 130 ARG H H 1 8.128 0.005 . 1 . 945 . . 110 ARG H . 19010 1 442 . 1 1 130 130 ARG C C 13 174.096 0.050 . 1 . 942 . . 110 ARG C . 19010 1 443 . 1 1 130 130 ARG CA C 13 58.398 0.015 . 1 . 943 . . 110 ARG CA . 19010 1 444 . 1 1 130 130 ARG CB C 13 30.026 0.20 . 1 . 944 . . 110 ARG CB . 19010 1 445 . 1 1 130 130 ARG N N 15 114.007 0.062 . 1 . 946 . . 110 ARG N . 19010 1 446 . 1 1 131 131 ASN H H 1 7.516 0.009 . 1 . 950 . . 111 ASN H . 19010 1 447 . 1 1 131 131 ASN C C 13 174.925 0.050 . 1 . 947 . . 111 ASN C . 19010 1 448 . 1 1 131 131 ASN CA C 13 52.244 0.06 . 1 . 948 . . 111 ASN CA . 19010 1 449 . 1 1 131 131 ASN CB C 13 40.961 0.20 . 1 . 949 . . 111 ASN CB . 19010 1 450 . 1 1 131 131 ASN N N 15 111.284 0.033 . 1 . 951 . . 111 ASN N . 19010 1 451 . 1 1 132 132 SER H H 1 7.529 0.007 . 1 . 957 . . 112 SER H . 19010 1 452 . 1 1 132 132 SER C C 13 171.905 0.050 . 1 . 952 . . 112 SER C . 19010 1 453 . 1 1 132 132 SER CA C 13 57.684 0.04 . 1 . 955 . . 112 SER CA . 19010 1 454 . 1 1 132 132 SER CB C 13 66.878 0.20 . 1 . 956 . . 112 SER CB . 19010 1 455 . 1 1 132 132 SER N N 15 115.212 0.068 . 1 . 958 . . 112 SER N . 19010 1 456 . 1 1 133 133 VAL H H 1 7.999 0.029 . 1 . 962 . . 113 VAL H . 19010 1 457 . 1 1 133 133 VAL C C 13 175.001 0.050 . 1 . 959 . . 113 VAL C . 19010 1 458 . 1 1 133 133 VAL CA C 13 61.421 0.001 . 1 . 960 . . 113 VAL CA . 19010 1 459 . 1 1 133 133 VAL CB C 13 37.004 0.20 . 1 . 961 . . 113 VAL CB . 19010 1 460 . 1 1 133 133 VAL N N 15 116.200 0.023 . 1 . 963 . . 113 VAL N . 19010 1 461 . 1 1 134 134 THR H H 1 8.875 0.02 . 1 . 966 . . 114 THR H . 19010 1 462 . 1 1 134 134 THR C C 13 172.973 0.050 . 1 . 964 . . 114 THR C . 19010 1 463 . 1 1 134 134 THR CA C 13 62.859 0.080 . 1 . 965 . . 114 THR CA . 19010 1 464 . 1 1 134 134 THR N N 15 123.597 0.113 . 1 . 967 . . 114 THR N . 19010 1 465 . 1 1 135 135 LEU H H 1 8.971 0.022 . 1 . 970 . . 115 LEU H . 19010 1 466 . 1 1 135 135 LEU C C 13 175.822 0.050 . 1 . 968 . . 115 LEU C . 19010 1 467 . 1 1 135 135 LEU CA C 13 53.441 0.047 . 1 . 969 . . 115 LEU CA . 19010 1 468 . 1 1 135 135 LEU N N 15 128.663 0.135 . 1 . 972 . . 115 LEU N . 19010 1 469 . 1 1 136 136 ILE H H 1 8.565 0.004 . 1 . 976 . . 116 ILE H . 19010 1 470 . 1 1 136 136 ILE C C 13 175.380 0.050 . 1 . 973 . . 116 ILE C . 19010 1 471 . 1 1 136 136 ILE CA C 13 60.330 0.080 . 1 . 974 . . 116 ILE CA . 19010 1 472 . 1 1 136 136 ILE CB C 13 42.181 0.20 . 1 . 975 . . 116 ILE CB . 19010 1 473 . 1 1 136 136 ILE N N 15 113.753 0.045 . 1 . 977 . . 116 ILE N . 19010 1 474 . 1 1 137 137 TRP H H 1 7.126 0.045 . 1 . 981 . . 117 TRP H . 19010 1 475 . 1 1 137 137 TRP C C 13 174.220 0.050 . 1 . 978 . . 117 TRP C . 19010 1 476 . 1 1 137 137 TRP CA C 13 56.954 0.083 . 1 . 979 . . 117 TRP CA . 19010 1 477 . 1 1 137 137 TRP N N 15 118.698 0.258 . 1 . 983 . . 117 TRP N . 19010 1 478 . 1 1 138 138 THR H H 1 7.118 0.025 . 1 . 989 . . 118 THR H . 19010 1 479 . 1 1 138 138 THR C C 13 175.221 0.050 . 1 . 984 . . 118 THR C . 19010 1 480 . 1 1 138 138 THR CA C 13 59.871 0.061 . 1 . 987 . . 118 THR CA . 19010 1 481 . 1 1 138 138 THR CB C 13 70.960 0.20 . 1 . 988 . . 118 THR CB . 19010 1 482 . 1 1 138 138 THR N N 15 107.639 0.037 . 1 . 990 . . 118 THR N . 19010 1 483 . 1 1 139 139 GLU H H 1 8.726 0.02 . 1 . 994 . . 119 GLU H . 19010 1 484 . 1 1 139 139 GLU C C 13 175.909 0.050 . 1 . 991 . . 119 GLU C . 19010 1 485 . 1 1 139 139 GLU CA C 13 54.944 0.080 . 1 . 992 . . 119 GLU CA . 19010 1 486 . 1 1 139 139 GLU CB C 13 30.562 0.20 . 1 . 993 . . 119 GLU CB . 19010 1 487 . 1 1 139 139 GLU N N 15 124.487 0.044 . 1 . 995 . . 119 GLU N . 19010 1 488 . 1 1 140 140 PRO C C 13 177.292 0.050 . 1 . 996 . . 120 PRO C . 19010 1 489 . 1 1 140 140 PRO CA C 13 62.930 0.080 . 1 . 998 . . 120 PRO CA . 19010 1 490 . 1 1 140 140 PRO CB C 13 33.463 0.20 . 1 . 999 . . 120 PRO CB . 19010 1 491 . 1 1 141 141 LYS H H 1 8.931 0.005 . 1 . 1003 . . 121 LYS H . 19010 1 492 . 1 1 141 141 LYS C C 13 177.071 0.050 . 1 . 1000 . . 121 LYS C . 19010 1 493 . 1 1 141 141 LYS CA C 13 58.852 0.042 . 1 . 1001 . . 121 LYS CA . 19010 1 494 . 1 1 141 141 LYS CB C 13 31.420 0.20 . 1 . 1002 . . 121 LYS CB . 19010 1 495 . 1 1 141 141 LYS N N 15 124.837 0.067 . 1 . 1004 . . 121 LYS N . 19010 1 496 . 1 1 142 142 TYR H H 1 7.742 0.006 . 1 . 1008 . . 122 TYR H . 19010 1 497 . 1 1 142 142 TYR C C 13 175.297 0.050 . 1 . 1005 . . 122 TYR C . 19010 1 498 . 1 1 142 142 TYR CA C 13 56.122 0.018 . 1 . 1006 . . 122 TYR CA . 19010 1 499 . 1 1 142 142 TYR CB C 13 39.518 0.20 . 1 . 1007 . . 122 TYR CB . 19010 1 500 . 1 1 142 142 TYR N N 15 118.003 0.028 . 1 . 1009 . . 122 TYR N . 19010 1 501 . 1 1 143 143 ASP H H 1 7.498 0.004 . 1 . 1012 . . 123 ASP H . 19010 1 502 . 1 1 143 143 ASP CA C 13 54.297 0.080 . 1 . 1010 . . 123 ASP CA . 19010 1 503 . 1 1 143 143 ASP CB C 13 40.205 0.20 . 1 . 1011 . . 123 ASP CB . 19010 1 504 . 1 1 143 143 ASP N N 15 127.581 0.051 . 1 . 1013 . . 123 ASP N . 19010 1 505 . 1 1 144 144 GLY CA C 13 45.590 0.080 . 1 . 1014 . . 124 GLY CA . 19010 1 506 . 1 1 145 145 GLY H H 1 8.375 0.005 . 1 . 1017 . . 125 GLY H . 19010 1 507 . 1 1 145 145 GLY C C 13 173.136 0.050 . 1 . 1015 . . 125 GLY C . 19010 1 508 . 1 1 145 145 GLY CA C 13 44.594 0.0 . 1 . 1016 . . 125 GLY CA . 19010 1 509 . 1 1 145 145 GLY N N 15 109.916 0.011 . 1 . 1018 . . 125 GLY N . 19010 1 510 . 1 1 146 146 HIS H H 1 6.781 0.022 . 1 . 1022 . . 126 HIS H . 19010 1 511 . 1 1 146 146 HIS C C 13 172.805 0.050 . 1 . 1019 . . 126 HIS C . 19010 1 512 . 1 1 146 146 HIS CA C 13 54.950 0.024 . 1 . 1020 . . 126 HIS CA . 19010 1 513 . 1 1 146 146 HIS CB C 13 33.849 0.20 . 1 . 1021 . . 126 HIS CB . 19010 1 514 . 1 1 146 146 HIS N N 15 119.121 0.199 . 1 . 1023 . . 126 HIS N . 19010 1 515 . 1 1 147 147 LYS H H 1 7.979 0.014 . 1 . 1027 . . 127 LYS H . 19010 1 516 . 1 1 147 147 LYS C C 13 178.185 0.050 . 1 . 1024 . . 127 LYS C . 19010 1 517 . 1 1 147 147 LYS CA C 13 56.876 0.054 . 1 . 1025 . . 127 LYS CA . 19010 1 518 . 1 1 147 147 LYS CB C 13 32.660 0.20 . 1 . 1026 . . 127 LYS CB . 19010 1 519 . 1 1 147 147 LYS N N 15 119.283 0.157 . 1 . 1028 . . 127 LYS N . 19010 1 520 . 1 1 148 148 LEU H H 1 8.748 0.014 . 1 . 1032 . . 128 LEU H . 19010 1 521 . 1 1 148 148 LEU C C 13 179.315 0.050 . 1 . 1029 . . 128 LEU C . 19010 1 522 . 1 1 148 148 LEU CA C 13 55.710 0.03 . 1 . 1030 . . 128 LEU CA . 19010 1 523 . 1 1 148 148 LEU CB C 13 41.818 0.20 . 1 . 1031 . . 128 LEU CB . 19010 1 524 . 1 1 148 148 LEU N N 15 123.393 0.058 . 1 . 1034 . . 128 LEU N . 19010 1 525 . 1 1 149 149 THR H H 1 8.898 0.018 . 1 . 1037 . . 129 THR H . 19010 1 526 . 1 1 149 149 THR C C 13 175.593 0.050 . 1 . 1035 . . 129 THR C . 19010 1 527 . 1 1 149 149 THR CA C 13 61.229 0.108 . 1 . 1036 . . 129 THR CA . 19010 1 528 . 1 1 149 149 THR N N 15 113.430 0.078 . 1 . 1038 . . 129 THR N . 19010 1 529 . 1 1 150 150 GLY H H 1 7.033 0.007 . 1 . 1041 . . 130 GLY H . 19010 1 530 . 1 1 150 150 GLY C C 13 171.043 0.050 . 1 . 1039 . . 130 GLY C . 19010 1 531 . 1 1 150 150 GLY CA C 13 44.958 0.151 . 1 . 1040 . . 130 GLY CA . 19010 1 532 . 1 1 150 150 GLY N N 15 109.590 0.062 . 1 . 1042 . . 130 GLY N . 19010 1 533 . 1 1 151 151 TYR H H 1 8.521 0.018 . 1 . 1046 . . 131 TYR H . 19010 1 534 . 1 1 151 151 TYR C C 13 175.343 0.050 . 1 . 1043 . . 131 TYR C . 19010 1 535 . 1 1 151 151 TYR CA C 13 57.390 0.04 . 1 . 1044 . . 131 TYR CA . 19010 1 536 . 1 1 151 151 TYR CB C 13 41.986 0.20 . 1 . 1045 . . 131 TYR CB . 19010 1 537 . 1 1 151 151 TYR N N 15 115.904 0.11 . 1 . 1047 . . 131 TYR N . 19010 1 538 . 1 1 152 152 ILE H H 1 9.043 0.01 . 1 . 1051 . . 132 ILE H . 19010 1 539 . 1 1 152 152 ILE C C 13 175.061 0.050 . 1 . 1048 . . 132 ILE C . 19010 1 540 . 1 1 152 152 ILE CA C 13 60.374 0.002 . 1 . 1049 . . 132 ILE CA . 19010 1 541 . 1 1 152 152 ILE CB C 13 42.014 0.20 . 1 . 1050 . . 132 ILE CB . 19010 1 542 . 1 1 152 152 ILE N N 15 122.231 0.042 . 1 . 1052 . . 132 ILE N . 19010 1 543 . 1 1 153 153 VAL H H 1 8.550 0.035 . 1 . 1056 . . 133 VAL H . 19010 1 544 . 1 1 153 153 VAL C C 13 175.033 0.050 . 1 . 1053 . . 133 VAL C . 19010 1 545 . 1 1 153 153 VAL CA C 13 61.429 0.029 . 1 . 1054 . . 133 VAL CA . 19010 1 546 . 1 1 153 153 VAL CB C 13 32.022 0.20 . 1 . 1055 . . 133 VAL CB . 19010 1 547 . 1 1 153 153 VAL N N 15 128.580 0.025 . 1 . 1057 . . 133 VAL N . 19010 1 548 . 1 1 154 154 GLU H H 1 9.358 0.005 . 1 . 1060 . . 134 GLU H . 19010 1 549 . 1 1 154 154 GLU C C 13 175.504 0.050 . 1 . 1058 . . 134 GLU C . 19010 1 550 . 1 1 154 154 GLU CA C 13 54.859 0.080 . 1 . 1059 . . 134 GLU CA . 19010 1 551 . 1 1 154 154 GLU N N 15 127.164 0.076 . 1 . 1061 . . 134 GLU N . 19010 1 552 . 1 1 159 159 PRO CA C 13 63.271 0.080 . 1 . 1062 . . 139 PRO CA . 19010 1 553 . 1 1 159 159 PRO CB C 13 33.461 0.20 . 1 . 1063 . . 139 PRO CB . 19010 1 554 . 1 1 160 160 SER H H 1 8.469 0.006 . 1 . 1067 . . 140 SER H . 19010 1 555 . 1 1 160 160 SER C C 13 175.315 0.050 . 1 . 1064 . . 140 SER C . 19010 1 556 . 1 1 160 160 SER CA C 13 59.362 0.002 . 1 . 1065 . . 140 SER CA . 19010 1 557 . 1 1 160 160 SER CB C 13 62.936 0.20 . 1 . 1066 . . 140 SER CB . 19010 1 558 . 1 1 160 160 SER N N 15 122.290 0.055 . 1 . 1070 . . 140 SER N . 19010 1 559 . 1 1 161 161 LYS H H 1 8.413 0.024 . 1 . 1073 . . 141 LYS H . 19010 1 560 . 1 1 161 161 LYS CA C 13 56.441 0.02 . 1 . 1071 . . 141 LYS CA . 19010 1 561 . 1 1 161 161 LYS CB C 13 32.365 0.20 . 1 . 1072 . . 141 LYS CB . 19010 1 562 . 1 1 161 161 LYS N N 15 123.402 0.112 . 1 . 1074 . . 141 LYS N . 19010 1 563 . 1 1 162 162 SER H H 1 7.871 0.013 . 1 . 1078 . . 142 SER H . 19010 1 564 . 1 1 162 162 SER C C 13 173.178 0.050 . 1 . 1075 . . 142 SER C . 19010 1 565 . 1 1 162 162 SER CA C 13 58.547 0.080 . 1 . 1076 . . 142 SER CA . 19010 1 566 . 1 1 162 162 SER CB C 13 63.441 0.20 . 1 . 1077 . . 142 SER CB . 19010 1 567 . 1 1 162 162 SER N N 15 116.534 0.147 . 1 . 1079 . . 142 SER N . 19010 1 568 . 1 1 163 163 TRP H H 1 8.434 0.008 . 1 . 1083 . . 143 TRP H . 19010 1 569 . 1 1 163 163 TRP C C 13 177.130 0.050 . 1 . 1080 . . 143 TRP C . 19010 1 570 . 1 1 163 163 TRP CA C 13 56.806 0.080 . 1 . 1081 . . 143 TRP CA . 19010 1 571 . 1 1 163 163 TRP CB C 13 30.231 0.20 . 1 . 1082 . . 143 TRP CB . 19010 1 572 . 1 1 163 163 TRP N N 15 125.677 0.021 . 1 . 1084 . . 143 TRP N . 19010 1 573 . 1 1 164 164 MET H H 1 9.240 0.003 . 1 . 1088 . . 144 MET H . 19010 1 574 . 1 1 164 164 MET C C 13 175.806 0.050 . 1 . 1085 . . 144 MET C . 19010 1 575 . 1 1 164 164 MET CA C 13 53.860 0.014 . 1 . 1086 . . 144 MET CA . 19010 1 576 . 1 1 164 164 MET CB C 13 35.897 0.20 . 1 . 1087 . . 144 MET CB . 19010 1 577 . 1 1 164 164 MET N N 15 122.238 0.016 . 1 . 1089 . . 144 MET N . 19010 1 578 . 1 1 165 165 LYS H H 1 8.783 0.0 . 1 . 1092 . . 145 LYS H . 19010 1 579 . 1 1 165 165 LYS C C 13 177.020 0.050 . 1 . 1090 . . 145 LYS C . 19010 1 580 . 1 1 165 165 LYS CA C 13 58.509 0.023 . 1 . 1091 . . 145 LYS CA . 19010 1 581 . 1 1 165 165 LYS N N 15 125.195 0.01 . 1 . 1093 . . 145 LYS N . 19010 1 582 . 1 1 166 166 ALA H H 1 10.035 0.003 . 1 . 1098 . . 146 ALA H . 19010 1 583 . 1 1 166 166 ALA C C 13 177.248 0.050 . 1 . 1095 . . 146 ALA C . 19010 1 584 . 1 1 166 166 ALA CA C 13 52.032 0.011 . 1 . 1096 . . 146 ALA CA . 19010 1 585 . 1 1 166 166 ALA CB C 13 20.362 0.20 . 1 . 1097 . . 146 ALA CB . 19010 1 586 . 1 1 166 166 ALA N N 15 128.765 0.096 . 1 . 1099 . . 146 ALA N . 19010 1 587 . 1 1 167 167 ASN H H 1 8.233 0.018 . 1 . 1103 . . 147 ASN H . 19010 1 588 . 1 1 167 167 ASN C C 13 174.307 0.050 . 1 . 1100 . . 147 ASN C . 19010 1 589 . 1 1 167 167 ASN CA C 13 52.871 0.080 . 1 . 1101 . . 147 ASN CA . 19010 1 590 . 1 1 167 167 ASN CB C 13 39.419 0.20 . 1 . 1102 . . 147 ASN CB . 19010 1 591 . 1 1 167 167 ASN N N 15 113.284 0.03 . 1 . 1104 . . 147 ASN N . 19010 1 592 . 1 1 168 168 HIS C C 13 174.782 0.050 . 1 . 1105 . . 148 HIS C . 19010 1 593 . 1 1 168 168 HIS CA C 13 56.264 0.080 . 1 . 1107 . . 148 HIS CA . 19010 1 594 . 1 1 168 168 HIS CB C 13 29.163 0.20 . 1 . 1108 . . 148 HIS CB . 19010 1 595 . 1 1 169 169 VAL H H 1 7.469 0.005 . 1 . 1112 . . 149 VAL H . 19010 1 596 . 1 1 169 169 VAL C C 13 175.734 0.050 . 1 . 1109 . . 149 VAL C . 19010 1 597 . 1 1 169 169 VAL CA C 13 59.358 0.080 . 1 . 1110 . . 149 VAL CA . 19010 1 598 . 1 1 169 169 VAL CB C 13 34.908 0.20 . 1 . 1111 . . 149 VAL CB . 19010 1 599 . 1 1 169 169 VAL N N 15 113.907 0.006 . 1 . 1114 . . 149 VAL N . 19010 1 600 . 1 1 170 170 ASN H H 1 8.603 0.005 . 1 . 1137 . . 150 ASN H . 19010 1 601 . 1 1 170 170 ASN CA C 13 54.459 0.001 . 1 . 1115 . . 150 ASN CA . 19010 1 602 . 1 1 170 170 ASN CB C 13 38.866 0.20 . 1 . 1116 . . 150 ASN CB . 19010 1 603 . 1 1 170 170 ASN N N 15 121.140 0.120 . 1 . 1141 . . 150 ASN N . 19010 1 604 . 1 1 171 171 VAL H H 1 8.151 0.02 . 1 . 1146 . . 151 VAL H . 19010 1 605 . 1 1 171 171 VAL CA C 13 59.896 0.080 . 1 . 1145 . . 151 VAL CA . 19010 1 606 . 1 1 171 171 VAL N N 15 125.984 0.2 . 1 . 1147 . . 151 VAL N . 19010 1 607 . 1 1 173 173 GLU CA C 13 54.301 0.015 . 1 . 1150 . . 153 GLU CA . 19010 1 608 . 1 1 173 173 GLU CB C 13 31.910 0.20 . 1 . 1151 . . 153 GLU CB . 19010 1 609 . 1 1 174 174 CYS H H 1 7.756 0.008 . 1 . 1155 . . 154 CYS H . 19010 1 610 . 1 1 174 174 CYS C C 13 174.539 0.050 . 1 . 1152 . . 154 CYS C . 19010 1 611 . 1 1 174 174 CYS CA C 13 57.499 0.080 . 1 . 1153 . . 154 CYS CA . 19010 1 612 . 1 1 174 174 CYS CB C 13 24.823 0.20 . 1 . 1154 . . 154 CYS CB . 19010 1 613 . 1 1 174 174 CYS N N 15 118.955 0.091 . 1 . 1156 . . 154 CYS N . 19010 1 614 . 1 1 175 175 ALA H H 1 7.047 0.024 . 1 . 1166 . . 155 ALA H . 19010 1 615 . 1 1 175 175 ALA C C 13 177.263 0.050 . 1 . 1157 . . 155 ALA C . 19010 1 616 . 1 1 175 175 ALA N N 15 123.053 0.145 . 1 . 1167 . . 155 ALA N . 19010 1 617 . 1 1 176 176 PHE H H 1 8.772 0.006 . 1 . 1171 . . 156 PHE H . 19010 1 618 . 1 1 176 176 PHE C C 13 173.721 0.050 . 1 . 1168 . . 156 PHE C . 19010 1 619 . 1 1 176 176 PHE CA C 13 59.331 0.080 . 1 . 1169 . . 156 PHE CA . 19010 1 620 . 1 1 176 176 PHE CB C 13 43.481 0.20 . 1 . 1170 . . 156 PHE CB . 19010 1 621 . 1 1 176 176 PHE N N 15 119.174 0.078 . 1 . 1172 . . 156 PHE N . 19010 1 622 . 1 1 177 177 THR H H 1 7.381 0.024 . 1 . 1190 . . 157 THR H . 19010 1 623 . 1 1 177 177 THR C C 13 172.452 0.050 . 1 . 1173 . . 157 THR C . 19010 1 624 . 1 1 177 177 THR CA C 13 61.855 0.048 . 1 . 1176 . . 157 THR CA . 19010 1 625 . 1 1 177 177 THR CB C 13 69.444 0.20 . 1 . 1177 . . 157 THR CB . 19010 1 626 . 1 1 177 177 THR N N 15 125.030 0.065 . 1 . 1191 . . 157 THR N . 19010 1 627 . 1 1 178 178 VAL H H 1 8.882 0.027 . 1 . 1265 . . 158 VAL H . 19010 1 628 . 1 1 178 178 VAL C C 13 175.723 0.050 . 1 . 1216 . . 158 VAL C . 19010 1 629 . 1 1 178 178 VAL CA C 13 62.104 0.049 . 1 . 1240 . . 158 VAL CA . 19010 1 630 . 1 1 178 178 VAL CB C 13 31.965 0.20 . 1 . 1241 . . 158 VAL CB . 19010 1 631 . 1 1 178 178 VAL N N 15 129.404 0.063 . 1 . 1266 . . 158 VAL N . 19010 1 632 . 1 1 179 179 THR H H 1 7.828 0.024 . 1 . 1301 . . 159 THR H . 19010 1 633 . 1 1 179 179 THR C C 13 173.827 0.050 . 1 . 1270 . . 159 THR C . 19010 1 634 . 1 1 179 179 THR CA C 13 60.096 0.080 . 1 . 1282 . . 159 THR CA . 19010 1 635 . 1 1 179 179 THR CB C 13 70.863 0.20 . 1 . 1297 . . 159 THR CB . 19010 1 636 . 1 1 179 179 THR N N 15 116.918 0.119 . 1 . 1321 . . 159 THR N . 19010 1 637 . 1 1 180 180 ASP H H 1 8.736 0.012 . 1 . 1408 . . 160 ASP H . 19010 1 638 . 1 1 180 180 ASP C C 13 176.102 0.050 . 1 . 1354 . . 160 ASP C . 19010 1 639 . 1 1 180 180 ASP CA C 13 55.621 0.118 . 1 . 1357 . . 160 ASP CA . 19010 1 640 . 1 1 180 180 ASP CB C 13 38.983 0.20 . 1 . 1407 . . 160 ASP CB . 19010 1 641 . 1 1 180 180 ASP N N 15 114.354 0.052 . 1 . 1409 . . 160 ASP N . 19010 1 642 . 1 1 181 181 LEU H H 1 7.809 0.01 . 1 . 1461 . . 161 LEU H . 19010 1 643 . 1 1 181 181 LEU C C 13 176.285 0.050 . 1 . 1414 . . 161 LEU C . 19010 1 644 . 1 1 181 181 LEU CA C 13 53.670 0.080 . 1 . 1420 . . 161 LEU CA . 19010 1 645 . 1 1 181 181 LEU CB C 13 40.913 0.20 . 1 . 1458 . . 161 LEU CB . 19010 1 646 . 1 1 181 181 LEU N N 15 118.460 0.163 . 1 . 1470 . . 161 LEU N . 19010 1 647 . 1 1 182 182 VAL H H 1 8.087 0.022 . 1 . 1505 . . 162 VAL H . 19010 1 648 . 1 1 182 182 VAL C C 13 176.230 0.050 . 1 . 1476 . . 162 VAL C . 19010 1 649 . 1 1 182 182 VAL CA C 13 61.986 0.080 . 1 . 1502 . . 162 VAL CA . 19010 1 650 . 1 1 182 182 VAL CB C 13 33.604 0.20 . 1 . 1503 . . 162 VAL CB . 19010 1 651 . 1 1 182 182 VAL N N 15 120.256 0.105 . 1 . 1561 . . 162 VAL N . 19010 1 652 . 1 1 183 183 GLU H H 1 8.376 0.003 . 1 . 1591 . . 163 GLU H . 19010 1 653 . 1 1 183 183 GLU C C 13 179.008 0.050 . 1 . 1569 . . 163 GLU C . 19010 1 654 . 1 1 183 183 GLU CA C 13 58.348 0.080 . 1 . 1590 . . 163 GLU CA . 19010 1 655 . 1 1 183 183 GLU N N 15 129.870 0.041 . 1 . 1592 . . 163 GLU N . 19010 1 656 . 1 1 185 185 GLY C C 13 171.228 0.050 . 1 . 1619 . . 165 GLY C . 19010 1 657 . 1 1 185 185 GLY CA C 13 45.276 0.080 . 1 . 1620 . . 165 GLY CA . 19010 1 658 . 1 1 186 186 LYS H H 1 7.198 0.01 . 1 . 1661 . . 166 LYS H . 19010 1 659 . 1 1 186 186 LYS C C 13 174.387 0.050 . 1 . 1629 . . 166 LYS C . 19010 1 660 . 1 1 186 186 LYS CA C 13 54.652 0.080 . 1 . 1652 . . 166 LYS CA . 19010 1 661 . 1 1 186 186 LYS N N 15 120.102 0.079 . 1 . 1664 . . 166 LYS N . 19010 1 662 . 1 1 187 187 TYR H H 1 8.551 0.006 . 1 . 1710 . . 167 TYR H . 19010 1 663 . 1 1 187 187 TYR C C 13 176.059 0.050 . 1 . 1673 . . 167 TYR C . 19010 1 664 . 1 1 187 187 TYR CA C 13 51.766 0.080 . 1 . 1690 . . 167 TYR CA . 19010 1 665 . 1 1 187 187 TYR CB C 13 38.482 0.20 . 1 . 1709 . . 167 TYR CB . 19010 1 666 . 1 1 187 187 TYR N N 15 127.347 0.044 . 1 . 1737 . . 167 TYR N . 19010 1 667 . 1 1 188 188 GLU H H 1 7.647 0.006 . 1 . 1773 . . 168 GLU H . 19010 1 668 . 1 1 188 188 GLU CA C 13 56.809 0.080 . 1 . 1772 . . 168 GLU CA . 19010 1 669 . 1 1 188 188 GLU N N 15 126.881 0.02 . 1 . 1779 . . 168 GLU N . 19010 1 670 . 1 1 189 189 PHE C C 13 174.796 0.050 . 1 . 1780 . . 169 PHE C . 19010 1 671 . 1 1 189 189 PHE CA C 13 57.015 0.080 . 1 . 1781 . . 169 PHE CA . 19010 1 672 . 1 1 189 189 PHE CB C 13 43.864 0.20 . 1 . 1782 . . 169 PHE CB . 19010 1 673 . 1 1 190 190 ARG H H 1 9.166 0.008 . 1 . 1821 . . 170 ARG H . 19010 1 674 . 1 1 190 190 ARG C C 13 171.819 0.050 . 1 . 1783 . . 170 ARG C . 19010 1 675 . 1 1 190 190 ARG CA C 13 55.582 0.080 . 1 . 1797 . . 170 ARG CA . 19010 1 676 . 1 1 190 190 ARG CB C 13 31.400 0.20 . 1 . 1813 . . 170 ARG CB . 19010 1 677 . 1 1 190 190 ARG N N 15 117.413 0.03 . 1 . 1835 . . 170 ARG N . 19010 1 678 . 1 1 191 191 ILE C C 13 176.857 0.050 . 1 . 1852 . . 171 ILE C . 19010 1 679 . 1 1 191 191 ILE CA C 13 57.978 0.080 . 1 . 1853 . . 171 ILE CA . 19010 1 680 . 1 1 191 191 ILE CB C 13 39.361 0.20 . 1 . 1854 . . 171 ILE CB . 19010 1 681 . 1 1 192 192 ARG H H 1 9.110 0.011 . 1 . 1876 . . 172 ARG H . 19010 1 682 . 1 1 192 192 ARG C C 13 174.846 0.050 . 1 . 1855 . . 172 ARG C . 19010 1 683 . 1 1 192 192 ARG CA C 13 54.338 0.080 . 1 . 1870 . . 172 ARG CA . 19010 1 684 . 1 1 192 192 ARG CB C 13 34.424 0.20 . 1 . 1871 . . 172 ARG CB . 19010 1 685 . 1 1 192 192 ARG N N 15 122.500 0.052 . 1 . 1877 . . 172 ARG N . 19010 1 686 . 1 1 193 193 ALA H H 1 8.931 0.011 . 1 . 1920 . . 173 ALA H . 19010 1 687 . 1 1 193 193 ALA C C 13 174.829 0.050 . 1 . 1899 . . 173 ALA C . 19010 1 688 . 1 1 193 193 ALA CA C 13 50.615 0.198 . 1 . 1916 . . 173 ALA CA . 19010 1 689 . 1 1 193 193 ALA N N 15 124.298 0.035 . 1 . 1921 . . 173 ALA N . 19010 1 690 . 1 1 194 194 LYS H H 1 8.081 0.005 . 1 . 2033 . . 174 LYS H . 19010 1 691 . 1 1 194 194 LYS C C 13 176.163 0.050 . 1 . 1925 . . 174 LYS C . 19010 1 692 . 1 1 194 194 LYS CA C 13 54.836 0.080 . 1 . 1948 . . 174 LYS CA . 19010 1 693 . 1 1 194 194 LYS CB C 13 35.939 0.20 . 1 . 1949 . . 174 LYS CB . 19010 1 694 . 1 1 194 194 LYS N N 15 119.663 0.031 . 1 . 2034 . . 174 LYS N . 19010 1 695 . 1 1 195 195 ASN H H 1 7.840 0.012 . 1 . 2039 . . 175 ASN H . 19010 1 696 . 1 1 195 195 ASN C C 13 179.333 0.050 . 1 . 2035 . . 175 ASN C . 19010 1 697 . 1 1 195 195 ASN CA C 13 51.331 0.009 . 1 . 2036 . . 175 ASN CA . 19010 1 698 . 1 1 195 195 ASN CB C 13 42.478 0.20 . 1 . 2037 . . 175 ASN CB . 19010 1 699 . 1 1 195 195 ASN N N 15 118.932 0.048 . 1 . 2040 . . 175 ASN N . 19010 1 700 . 1 1 196 196 THR H H 1 8.460 0.035 . 1 . 2044 . . 176 THR H . 19010 1 701 . 1 1 196 196 THR C C 13 175.732 0.050 . 1 . 2041 . . 176 THR C . 19010 1 702 . 1 1 196 196 THR CA C 13 64.648 0.024 . 1 . 2042 . . 176 THR CA . 19010 1 703 . 1 1 196 196 THR CB C 13 69.392 0.20 . 1 . 2043 . . 176 THR CB . 19010 1 704 . 1 1 196 196 THR N N 15 111.073 0.194 . 1 . 2045 . . 176 THR N . 19010 1 705 . 1 1 197 197 ALA H H 1 6.946 0.022 . 1 . 2051 . . 177 ALA H . 19010 1 706 . 1 1 197 197 ALA C C 13 177.546 0.050 . 1 . 2046 . . 177 ALA C . 19010 1 707 . 1 1 197 197 ALA CA C 13 52.147 0.089 . 1 . 2047 . . 177 ALA CA . 19010 1 708 . 1 1 197 197 ALA CB C 13 17.817 0.20 . 1 . 2049 . . 177 ALA CB . 19010 1 709 . 1 1 197 197 ALA N N 15 123.189 0.095 . 1 . 2052 . . 177 ALA N . 19010 1 710 . 1 1 198 198 GLY CA C 13 44.387 0.080 . 1 . 2053 . . 178 GLY CA . 19010 1 711 . 1 1 199 199 ALA H H 1 7.308 0.024 . 1 . 2057 . . 179 ALA H . 19010 1 712 . 1 1 199 199 ALA C C 13 176.026 0.050 . 1 . 2054 . . 179 ALA C . 19010 1 713 . 1 1 199 199 ALA CA C 13 52.380 0.059 . 1 . 2055 . . 179 ALA CA . 19010 1 714 . 1 1 199 199 ALA CB C 13 18.962 0.20 . 1 . 2056 . . 179 ALA CB . 19010 1 715 . 1 1 199 199 ALA N N 15 124.027 0.156 . 1 . 2058 . . 179 ALA N . 19010 1 716 . 1 1 200 200 ILE H H 1 8.048 0.004 . 1 . 2064 . . 180 ILE H . 19010 1 717 . 1 1 200 200 ILE C C 13 178.245 0.050 . 1 . 2059 . . 180 ILE C . 19010 1 718 . 1 1 200 200 ILE CA C 13 59.724 0.039 . 1 . 2060 . . 180 ILE CA . 19010 1 719 . 1 1 200 200 ILE CB C 13 41.018 0.20 . 1 . 2062 . . 180 ILE CB . 19010 1 720 . 1 1 200 200 ILE N N 15 119.391 0.058 . 1 . 2065 . . 180 ILE N . 19010 1 721 . 1 1 201 201 SER H H 1 9.582 0.006 . 1 . 2070 . . 181 SER H . 19010 1 722 . 1 1 201 201 SER C C 13 174.559 0.050 . 1 . 2066 . . 181 SER C . 19010 1 723 . 1 1 201 201 SER CA C 13 58.996 0.017 . 1 . 2067 . . 181 SER CA . 19010 1 724 . 1 1 201 201 SER CB C 13 66.378 0.20 . 1 . 2069 . . 181 SER CB . 19010 1 725 . 1 1 201 201 SER N N 15 126.309 0.055 . 1 . 2071 . . 181 SER N . 19010 1 726 . 1 1 202 202 ALA H H 1 8.602 0.008 . 1 . 2078 . . 182 ALA H . 19010 1 727 . 1 1 202 202 ALA C C 13 175.790 0.050 . 1 . 2073 . . 182 ALA C . 19010 1 728 . 1 1 202 202 ALA CA C 13 51.838 0.064 . 1 . 2074 . . 182 ALA CA . 19010 1 729 . 1 1 202 202 ALA CB C 13 16.838 0.20 . 1 . 2077 . . 182 ALA CB . 19010 1 730 . 1 1 202 202 ALA N N 15 123.341 0.029 . 1 . 2079 . . 182 ALA N . 19010 1 731 . 1 1 203 203 PRO CA C 13 62.545 0.080 . 1 . 2080 . . 183 PRO CA . 19010 1 732 . 1 1 204 204 SER H H 1 8.822 0.005 . 1 . 2085 . . 184 SER H . 19010 1 733 . 1 1 204 204 SER C C 13 174.726 0.050 . 1 . 2081 . . 184 SER C . 19010 1 734 . 1 1 204 204 SER CA C 13 58.307 0.080 . 1 . 2082 . . 184 SER CA . 19010 1 735 . 1 1 204 204 SER CB C 13 67.092 0.20 . 1 . 2084 . . 184 SER CB . 19010 1 736 . 1 1 204 204 SER N N 15 115.415 0.087 . 1 . 2086 . . 184 SER N . 19010 1 737 . 1 1 205 205 GLU H H 1 8.587 0.005 . 1 . 2090 . . 185 GLU H . 19010 1 738 . 1 1 205 205 GLU C C 13 177.642 0.050 . 1 . 2087 . . 185 GLU C . 19010 1 739 . 1 1 205 205 GLU CA C 13 58.173 0.080 . 1 . 2088 . . 185 GLU CA . 19010 1 740 . 1 1 205 205 GLU CB C 13 30.772 0.20 . 1 . 2089 . . 185 GLU CB . 19010 1 741 . 1 1 205 205 GLU N N 15 119.929 0.120 . 1 . 2091 . . 185 GLU N . 19010 1 742 . 1 1 206 206 SER H H 1 8.594 0.009 . 1 . 2095 . . 186 SER H . 19010 1 743 . 1 1 206 206 SER C C 13 176.889 0.050 . 1 . 2092 . . 186 SER C . 19010 1 744 . 1 1 206 206 SER CA C 13 57.771 0.001 . 1 . 2093 . . 186 SER CA . 19010 1 745 . 1 1 206 206 SER CB C 13 65.840 0.20 . 1 . 2094 . . 186 SER CB . 19010 1 746 . 1 1 206 206 SER N N 15 119.932 0.023 . 1 . 2096 . . 186 SER N . 19010 1 747 . 1 1 211 211 ILE C C 13 177.616 0.050 . 1 . 2097 . . 191 ILE C . 19010 1 748 . 1 1 211 211 ILE CA C 13 59.337 0.080 . 1 . 2099 . . 191 ILE CA . 19010 1 749 . 1 1 212 212 CYS H H 1 8.172 0.004 . 1 . 2103 . . 192 CYS H . 19010 1 750 . 1 1 212 212 CYS C C 13 174.944 0.050 . 1 . 2100 . . 192 CYS C . 19010 1 751 . 1 1 212 212 CYS CA C 13 63.414 0.094 . 1 . 2101 . . 192 CYS CA . 19010 1 752 . 1 1 212 212 CYS CB C 13 27.368 0.20 . 1 . 2102 . . 192 CYS CB . 19010 1 753 . 1 1 212 212 CYS N N 15 126.556 0.06 . 1 . 2104 . . 192 CYS N . 19010 1 754 . 1 1 213 213 LYS H H 1 6.995 0.015 . 1 . 2112 . . 193 LYS H . 19010 1 755 . 1 1 213 213 LYS C C 13 174.598 0.050 . 1 . 2105 . . 193 LYS C . 19010 1 756 . 1 1 213 213 LYS CA C 13 55.341 0.080 . 1 . 2107 . . 193 LYS CA . 19010 1 757 . 1 1 213 213 LYS CB C 13 34.890 0.20 . 1 . 2110 . . 193 LYS CB . 19010 1 758 . 1 1 213 213 LYS N N 15 125.167 0.106 . 1 . 2113 . . 193 LYS N . 19010 1 759 . 1 1 214 214 ASP H H 1 8.732 0.007 . 1 . 2117 . . 194 ASP H . 19010 1 760 . 1 1 214 214 ASP C C 13 176.910 0.050 . 1 . 2114 . . 194 ASP C . 19010 1 761 . 1 1 214 214 ASP CA C 13 54.704 0.065 . 1 . 2115 . . 194 ASP CA . 19010 1 762 . 1 1 214 214 ASP CB C 13 41.482 0.20 . 1 . 2116 . . 194 ASP CB . 19010 1 763 . 1 1 214 214 ASP N N 15 121.577 0.024 . 1 . 2118 . . 194 ASP N . 19010 1 764 . 1 1 215 215 GLU H H 1 8.534 0.006 . 1 . 2122 . . 195 GLU H . 19010 1 765 . 1 1 215 215 GLU C C 13 176.501 0.050 . 1 . 2119 . . 195 GLU C . 19010 1 766 . 1 1 215 215 GLU CA C 13 56.960 0.026 . 1 . 2120 . . 195 GLU CA . 19010 1 767 . 1 1 215 215 GLU CB C 13 30.132 0.20 . 1 . 2121 . . 195 GLU CB . 19010 1 768 . 1 1 215 215 GLU N N 15 122.666 0.033 . 1 . 2124 . . 195 GLU N . 19010 1 769 . 1 1 216 216 TYR H H 1 8.173 0.006 . 1 . 2130 . . 196 TYR H . 19010 1 770 . 1 1 216 216 TYR C C 13 175.924 0.050 . 1 . 2125 . . 196 TYR C . 19010 1 771 . 1 1 216 216 TYR CA C 13 57.759 0.008 . 1 . 2126 . . 196 TYR CA . 19010 1 772 . 1 1 216 216 TYR CB C 13 38.508 0.20 . 1 . 2127 . . 196 TYR CB . 19010 1 773 . 1 1 216 216 TYR N N 15 121.745 0.051 . 1 . 2131 . . 196 TYR N . 19010 1 774 . 1 1 217 217 GLU H H 1 8.155 0.006 . 1 . 2136 . . 197 GLU H . 19010 1 775 . 1 1 217 217 GLU C C 13 175.281 0.050 . 1 . 2132 . . 197 GLU C . 19010 1 776 . 1 1 217 217 GLU CA C 13 56.413 0.047 . 1 . 2133 . . 197 GLU CA . 19010 1 777 . 1 1 217 217 GLU CB C 13 30.385 0.20 . 1 . 2134 . . 197 GLU CB . 19010 1 778 . 1 1 217 217 GLU N N 15 124.564 0.046 . 1 . 2137 . . 197 GLU N . 19010 1 779 . 1 1 218 218 ALA H H 1 7.892 0.005 . 1 . 2141 . . 198 ALA H . 19010 1 780 . 1 1 218 218 ALA C C 13 177.974 0.050 . 1 . 2138 . . 198 ALA C . 19010 1 781 . 1 1 218 218 ALA CA C 13 53.752 0.20 . 1 . 2139 . . 198 ALA CA . 19010 1 782 . 1 1 218 218 ALA CB C 13 19.871 0.20 . 1 . 2140 . . 198 ALA CB . 19010 1 783 . 1 1 218 218 ALA N N 15 132.207 0.048 . 1 . 2142 . . 198 ALA N . 19010 1 stop_ save_