data_17410 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17410 _Entry.Title ; 1H, 15N and 13C backbone chemical shift assignment of the titin A67-A68 domain tandem ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-14 _Entry.Accession_date 2011-01-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Ca, C', Cb, amide N and H chemical shift assignment of an immunoglobulin-fibronectin type III domain tandem (A67-A68) 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 . . . 17410 2 Gary Thompson . . . 17410 3 'Ghulam N' Khan . . . 17410 4 Arnout Kalverda . . . 17410 5 'Steve W' Homans . . . 17410 6 John Trinick . . . 17410 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' . 17410 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Homans Group' . 17410 2 . 'Trinick Group' . 17410 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17410 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 550 17410 '15N chemical shifts' 180 17410 '1H chemical shifts' 180 17410 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-04-06 2011-01-14 update BMRB 'update entry citation' 17410 1 . . 2011-08-17 2011-01-14 original author 'original release' 17410 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17410 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21779926 _Citation.Full_citation . _Citation.Title '(1)H, (15)N and (13)C backbone chemical shift assignment of the titin A67-A68 domain tandem.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 6 _Citation.Journal_issue 1 _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 39 _Citation.Page_last 41 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Andras Czajlik . . . 17410 1 2 Gary Thompson . S. . 17410 1 3 Ghulam Khan . N. . 17410 1 4 Arnout Kalverda . P. . 17410 1 5 Steve Homans . W. . 17410 1 6 John Trinick . . . 17410 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17410 _Assembly.ID 1 _Assembly.Name C6 _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 23696.0575 _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 Construct6 1 $Construct6 A . yes native no no . . 'A67-A68 from the titin A59-A69 super-repeat' 17410 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Construct6 _Entity.Sf_category entity _Entity.Sf_framecode Construct6 _Entity.Entry_ID 17410 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Construct6 _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 MPSPPDSLNIMDITKSTVSL AWPKPKHDGGSKITGYVIEA QRKGSDQWTHITTVKGLECV VRNLTEGEEYTFQVMAVNSA GRSAPRESRPVIVKEQTMLP ELDLRGIYQKLVIAKAGDNI KVEIPVLGRPKPTVTWKKGD QILKQTQRVNFETTATSTIL NINECVRSDSGPYPLTARNI VGEVGDVITIQVHDI ; _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 215 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 23696.0575 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'A67-A68 from the titin A59-A69 super-repeat' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 MET . 17410 1 2 1 GLY . 17410 1 3 2 SER . 17410 1 4 3 SER . 17410 1 5 4 HIS . 17410 1 6 5 HIS . 17410 1 7 6 HIS . 17410 1 8 7 HIS . 17410 1 9 8 HIS . 17410 1 10 9 HIS . 17410 1 11 10 SER . 17410 1 12 11 SER . 17410 1 13 12 GLY . 17410 1 14 13 LEU . 17410 1 15 14 VAL . 17410 1 16 15 PRO . 17410 1 17 16 ARG . 17410 1 18 17 GLY . 17410 1 19 18 SER . 17410 1 20 19 HIS . 17410 1 21 20 MET . 17410 1 22 21 PRO . 17410 1 23 22 SER . 17410 1 24 23 PRO . 17410 1 25 24 PRO . 17410 1 26 25 ASP . 17410 1 27 26 SER . 17410 1 28 27 LEU . 17410 1 29 28 ASN . 17410 1 30 29 ILE . 17410 1 31 30 MET . 17410 1 32 31 ASP . 17410 1 33 32 ILE . 17410 1 34 33 THR . 17410 1 35 34 LYS . 17410 1 36 35 SER . 17410 1 37 36 THR . 17410 1 38 37 VAL . 17410 1 39 38 SER . 17410 1 40 39 LEU . 17410 1 41 40 ALA . 17410 1 42 41 TRP . 17410 1 43 42 PRO . 17410 1 44 43 LYS . 17410 1 45 44 PRO . 17410 1 46 45 LYS . 17410 1 47 46 HIS . 17410 1 48 47 ASP . 17410 1 49 48 GLY . 17410 1 50 49 GLY . 17410 1 51 50 SER . 17410 1 52 51 LYS . 17410 1 53 52 ILE . 17410 1 54 53 THR . 17410 1 55 54 GLY . 17410 1 56 55 TYR . 17410 1 57 56 VAL . 17410 1 58 57 ILE . 17410 1 59 58 GLU . 17410 1 60 59 ALA . 17410 1 61 60 GLN . 17410 1 62 61 ARG . 17410 1 63 62 LYS . 17410 1 64 63 GLY . 17410 1 65 64 SER . 17410 1 66 65 ASP . 17410 1 67 66 GLN . 17410 1 68 67 TRP . 17410 1 69 68 THR . 17410 1 70 69 HIS . 17410 1 71 70 ILE . 17410 1 72 71 THR . 17410 1 73 72 THR . 17410 1 74 73 VAL . 17410 1 75 74 LYS . 17410 1 76 75 GLY . 17410 1 77 76 LEU . 17410 1 78 77 GLU . 17410 1 79 78 CYS . 17410 1 80 79 VAL . 17410 1 81 80 VAL . 17410 1 82 81 ARG . 17410 1 83 82 ASN . 17410 1 84 83 LEU . 17410 1 85 84 THR . 17410 1 86 85 GLU . 17410 1 87 86 GLY . 17410 1 88 87 GLU . 17410 1 89 88 GLU . 17410 1 90 89 TYR . 17410 1 91 90 THR . 17410 1 92 91 PHE . 17410 1 93 92 GLN . 17410 1 94 93 VAL . 17410 1 95 94 MET . 17410 1 96 95 ALA . 17410 1 97 96 VAL . 17410 1 98 97 ASN . 17410 1 99 98 SER . 17410 1 100 99 ALA . 17410 1 101 100 GLY . 17410 1 102 101 ARG . 17410 1 103 102 SER . 17410 1 104 103 ALA . 17410 1 105 104 PRO . 17410 1 106 105 ARG . 17410 1 107 106 GLU . 17410 1 108 107 SER . 17410 1 109 108 ARG . 17410 1 110 109 PRO . 17410 1 111 110 VAL . 17410 1 112 111 ILE . 17410 1 113 112 VAL . 17410 1 114 113 LYS . 17410 1 115 114 GLU . 17410 1 116 115 GLN . 17410 1 117 116 THR . 17410 1 118 117 MET . 17410 1 119 118 LEU . 17410 1 120 119 PRO . 17410 1 121 120 GLU . 17410 1 122 121 LEU . 17410 1 123 122 ASP . 17410 1 124 123 LEU . 17410 1 125 124 ARG . 17410 1 126 125 GLY . 17410 1 127 126 ILE . 17410 1 128 127 TYR . 17410 1 129 128 GLN . 17410 1 130 129 LYS . 17410 1 131 130 LEU . 17410 1 132 131 VAL . 17410 1 133 132 ILE . 17410 1 134 133 ALA . 17410 1 135 134 LYS . 17410 1 136 135 ALA . 17410 1 137 136 GLY . 17410 1 138 137 ASP . 17410 1 139 138 ASN . 17410 1 140 139 ILE . 17410 1 141 140 LYS . 17410 1 142 141 VAL . 17410 1 143 142 GLU . 17410 1 144 143 ILE . 17410 1 145 144 PRO . 17410 1 146 145 VAL . 17410 1 147 146 LEU . 17410 1 148 147 GLY . 17410 1 149 148 ARG . 17410 1 150 149 PRO . 17410 1 151 150 LYS . 17410 1 152 151 PRO . 17410 1 153 152 THR . 17410 1 154 153 VAL . 17410 1 155 154 THR . 17410 1 156 155 TRP . 17410 1 157 156 LYS . 17410 1 158 157 LYS . 17410 1 159 158 GLY . 17410 1 160 159 ASP . 17410 1 161 160 GLN . 17410 1 162 161 ILE . 17410 1 163 162 LEU . 17410 1 164 163 LYS . 17410 1 165 164 GLN . 17410 1 166 165 THR . 17410 1 167 166 GLN . 17410 1 168 167 ARG . 17410 1 169 168 VAL . 17410 1 170 169 ASN . 17410 1 171 170 PHE . 17410 1 172 171 GLU . 17410 1 173 172 THR . 17410 1 174 173 THR . 17410 1 175 174 ALA . 17410 1 176 175 THR . 17410 1 177 176 SER . 17410 1 178 177 THR . 17410 1 179 178 ILE . 17410 1 180 179 LEU . 17410 1 181 180 ASN . 17410 1 182 181 ILE . 17410 1 183 182 ASN . 17410 1 184 183 GLU . 17410 1 185 184 CYS . 17410 1 186 185 VAL . 17410 1 187 186 ARG . 17410 1 188 187 SER . 17410 1 189 188 ASP . 17410 1 190 189 SER . 17410 1 191 190 GLY . 17410 1 192 191 PRO . 17410 1 193 192 TYR . 17410 1 194 193 PRO . 17410 1 195 194 LEU . 17410 1 196 195 THR . 17410 1 197 196 ALA . 17410 1 198 197 ARG . 17410 1 199 198 ASN . 17410 1 200 199 ILE . 17410 1 201 200 VAL . 17410 1 202 201 GLY . 17410 1 203 202 GLU . 17410 1 204 203 VAL . 17410 1 205 204 GLY . 17410 1 206 205 ASP . 17410 1 207 206 VAL . 17410 1 208 207 ILE . 17410 1 209 208 THR . 17410 1 210 209 ILE . 17410 1 211 210 GLN . 17410 1 212 211 VAL . 17410 1 213 212 HIS . 17410 1 214 213 ASP . 17410 1 215 214 ILE . 17410 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 17410 1 . GLY 2 2 17410 1 . SER 3 3 17410 1 . SER 4 4 17410 1 . HIS 5 5 17410 1 . HIS 6 6 17410 1 . HIS 7 7 17410 1 . HIS 8 8 17410 1 . HIS 9 9 17410 1 . HIS 10 10 17410 1 . SER 11 11 17410 1 . SER 12 12 17410 1 . GLY 13 13 17410 1 . LEU 14 14 17410 1 . VAL 15 15 17410 1 . PRO 16 16 17410 1 . ARG 17 17 17410 1 . GLY 18 18 17410 1 . SER 19 19 17410 1 . HIS 20 20 17410 1 . MET 21 21 17410 1 . PRO 22 22 17410 1 . SER 23 23 17410 1 . PRO 24 24 17410 1 . PRO 25 25 17410 1 . ASP 26 26 17410 1 . SER 27 27 17410 1 . LEU 28 28 17410 1 . ASN 29 29 17410 1 . ILE 30 30 17410 1 . MET 31 31 17410 1 . ASP 32 32 17410 1 . ILE 33 33 17410 1 . THR 34 34 17410 1 . LYS 35 35 17410 1 . SER 36 36 17410 1 . THR 37 37 17410 1 . VAL 38 38 17410 1 . SER 39 39 17410 1 . LEU 40 40 17410 1 . ALA 41 41 17410 1 . TRP 42 42 17410 1 . PRO 43 43 17410 1 . LYS 44 44 17410 1 . PRO 45 45 17410 1 . LYS 46 46 17410 1 . HIS 47 47 17410 1 . ASP 48 48 17410 1 . GLY 49 49 17410 1 . GLY 50 50 17410 1 . SER 51 51 17410 1 . LYS 52 52 17410 1 . ILE 53 53 17410 1 . THR 54 54 17410 1 . GLY 55 55 17410 1 . TYR 56 56 17410 1 . VAL 57 57 17410 1 . ILE 58 58 17410 1 . GLU 59 59 17410 1 . ALA 60 60 17410 1 . GLN 61 61 17410 1 . ARG 62 62 17410 1 . LYS 63 63 17410 1 . GLY 64 64 17410 1 . SER 65 65 17410 1 . ASP 66 66 17410 1 . GLN 67 67 17410 1 . TRP 68 68 17410 1 . THR 69 69 17410 1 . HIS 70 70 17410 1 . ILE 71 71 17410 1 . THR 72 72 17410 1 . THR 73 73 17410 1 . VAL 74 74 17410 1 . LYS 75 75 17410 1 . GLY 76 76 17410 1 . LEU 77 77 17410 1 . GLU 78 78 17410 1 . CYS 79 79 17410 1 . VAL 80 80 17410 1 . VAL 81 81 17410 1 . ARG 82 82 17410 1 . ASN 83 83 17410 1 . LEU 84 84 17410 1 . THR 85 85 17410 1 . GLU 86 86 17410 1 . GLY 87 87 17410 1 . GLU 88 88 17410 1 . GLU 89 89 17410 1 . TYR 90 90 17410 1 . THR 91 91 17410 1 . PHE 92 92 17410 1 . GLN 93 93 17410 1 . VAL 94 94 17410 1 . MET 95 95 17410 1 . ALA 96 96 17410 1 . VAL 97 97 17410 1 . ASN 98 98 17410 1 . SER 99 99 17410 1 . ALA 100 100 17410 1 . GLY 101 101 17410 1 . ARG 102 102 17410 1 . SER 103 103 17410 1 . ALA 104 104 17410 1 . PRO 105 105 17410 1 . ARG 106 106 17410 1 . GLU 107 107 17410 1 . SER 108 108 17410 1 . ARG 109 109 17410 1 . PRO 110 110 17410 1 . VAL 111 111 17410 1 . ILE 112 112 17410 1 . VAL 113 113 17410 1 . LYS 114 114 17410 1 . GLU 115 115 17410 1 . GLN 116 116 17410 1 . THR 117 117 17410 1 . MET 118 118 17410 1 . LEU 119 119 17410 1 . PRO 120 120 17410 1 . GLU 121 121 17410 1 . LEU 122 122 17410 1 . ASP 123 123 17410 1 . LEU 124 124 17410 1 . ARG 125 125 17410 1 . GLY 126 126 17410 1 . ILE 127 127 17410 1 . TYR 128 128 17410 1 . GLN 129 129 17410 1 . LYS 130 130 17410 1 . LEU 131 131 17410 1 . VAL 132 132 17410 1 . ILE 133 133 17410 1 . ALA 134 134 17410 1 . LYS 135 135 17410 1 . ALA 136 136 17410 1 . GLY 137 137 17410 1 . ASP 138 138 17410 1 . ASN 139 139 17410 1 . ILE 140 140 17410 1 . LYS 141 141 17410 1 . VAL 142 142 17410 1 . GLU 143 143 17410 1 . ILE 144 144 17410 1 . PRO 145 145 17410 1 . VAL 146 146 17410 1 . LEU 147 147 17410 1 . GLY 148 148 17410 1 . ARG 149 149 17410 1 . PRO 150 150 17410 1 . LYS 151 151 17410 1 . PRO 152 152 17410 1 . THR 153 153 17410 1 . VAL 154 154 17410 1 . THR 155 155 17410 1 . TRP 156 156 17410 1 . LYS 157 157 17410 1 . LYS 158 158 17410 1 . GLY 159 159 17410 1 . ASP 160 160 17410 1 . GLN 161 161 17410 1 . ILE 162 162 17410 1 . LEU 163 163 17410 1 . LYS 164 164 17410 1 . GLN 165 165 17410 1 . THR 166 166 17410 1 . GLN 167 167 17410 1 . ARG 168 168 17410 1 . VAL 169 169 17410 1 . ASN 170 170 17410 1 . PHE 171 171 17410 1 . GLU 172 172 17410 1 . THR 173 173 17410 1 . THR 174 174 17410 1 . ALA 175 175 17410 1 . THR 176 176 17410 1 . SER 177 177 17410 1 . THR 178 178 17410 1 . ILE 179 179 17410 1 . LEU 180 180 17410 1 . ASN 181 181 17410 1 . ILE 182 182 17410 1 . ASN 183 183 17410 1 . GLU 184 184 17410 1 . CYS 185 185 17410 1 . VAL 186 186 17410 1 . ARG 187 187 17410 1 . SER 188 188 17410 1 . ASP 189 189 17410 1 . SER 190 190 17410 1 . GLY 191 191 17410 1 . PRO 192 192 17410 1 . TYR 193 193 17410 1 . PRO 194 194 17410 1 . LEU 195 195 17410 1 . THR 196 196 17410 1 . ALA 197 197 17410 1 . ARG 198 198 17410 1 . ASN 199 199 17410 1 . ILE 200 200 17410 1 . VAL 201 201 17410 1 . GLY 202 202 17410 1 . GLU 203 203 17410 1 . VAL 204 204 17410 1 . GLY 205 205 17410 1 . ASP 206 206 17410 1 . VAL 207 207 17410 1 . ILE 208 208 17410 1 . THR 209 209 17410 1 . ILE 210 210 17410 1 . GLN 211 211 17410 1 . VAL 212 212 17410 1 . HIS 213 213 17410 1 . ASP 214 214 17410 1 . ILE 215 215 17410 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 17410 _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 $Construct6 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . heart . . . . . . . . . . . . . . 'A67-A68 from the titin A59-A69 super-repeat' . . 17410 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 17410 _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 $Construct6 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . 'pET 15b_A170' . . . 'A67-A68 from the titin A59-A69 super-repeat' . . 17410 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_TitinA67-A68 _Sample.Sf_category sample _Sample.Sf_framecode TitinA67-A68 _Sample.Entry_ID 17410 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details hhh _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 Construct6 '[U-13C; U-15N; U-2H]' . . 1 $Construct6 . . 1.00 . . mM 0.0002 . . . 17410 1 2 bis-tris 'natural abundance' . . . . . . 200.00 . . mM 0.001 . . . 17410 1 3 MES 'natural abundance' . . . . . . 200.00 . . mM 0.001 . . . 17410 1 4 'sodium azide' 'natural abundance' . . . . . . 1.00 . . mM 0.0001 . . . 17410 1 5 'complete protease inhibitor' 'natural abundance' . . . . . . 1.00 . . mM 0.0001 . . . 17410 1 6 dss '[U-100% 2H]' . . . . . . 0.01 . . mM 1e-06 . . . 17410 1 stop_ save_ ####################### # Sample conditions # ####################### save_MES-Bis-Tris _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode MES-Bis-Tris _Sample_condition_list.Entry_ID 17410 _Sample_condition_list.ID 1 _Sample_condition_list.Details '0.2M MES/Bis-Tris, 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 17410 1 pressure 1.000 . atm 17410 1 temperature 293.000 . K 17410 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNMR_Analysis _Software.Entry_ID 17410 _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 17410 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignment' 17410 1 stop_ save_ save_CcpNmr_Analysis_2 _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis_2 _Software.Entry_ID 17410 _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 17410 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignment' 17410 2 stop_ save_ save_CcpNmr_Entry_Completion_Interface _Software.Sf_category software _Software.Sf_framecode CcpNmr_Entry_Completion_Interface _Software.Entry_ID 17410 _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/ 17410 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data deposition' 17410 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17410 _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/ 17410 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 17410 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_Inova _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian_Inova _NMR_spectrometer.Entry_ID 17410 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17410 _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 Varian_Inova Varian UnityInova . 750 . . . 17410 1 stop_ save_ save_HCN600 _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode HCN600 _NMR_spectrometer_probe.Entry_ID 17410 _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 17410 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 17410 _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 17410 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 17410 _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 $TitinA67-A68 isotropic . . 1 $MES-Bis-Tris . . . 1 $Varian_Inova 1 $HCN600 . . . . . . . . . . . . . . 17410 1 2 '3D HNCA' no . . . . . . . . . . 1 $TitinA67-A68 isotropic . . 1 $MES-Bis-Tris . . . 1 $Varian_Inova 2 $HCN_cold_750 . . . . . . . . . . . . . . 17410 1 3 '3D HNCACB' no . . . . . . . . . . 1 $TitinA67-A68 isotropic . . 1 $MES-Bis-Tris . . . 1 $Varian_Inova 2 $HCN_cold_750 . . . . . . . . . . . . . . 17410 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $TitinA67-A68 isotropic . . 1 $MES-Bis-Tris . . . 1 $Varian_Inova 2 $HCN_cold_750 . . . . . . . . . . . . . . 17410 1 5 '3D HNCO' no . . . . . . . . . . 1 $TitinA67-A68 isotropic . . 1 $MES-Bis-Tris . . . 1 $Varian_Inova 1 $HCN600 . . . . . . . . . . . . . . 17410 1 6 'Expt_10 (H[N[ca[CO]]])' no . . . . . . . . . . 1 $TitinA67-A68 isotropic . . 1 $MES-Bis-Tris . . . 1 $Varian_Inova 2 $HCN_cold_750 . . . . . . . . . . . . . . 17410 1 7 'Expt_11 (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 1 $TitinA67-A68 isotropic . . 1 $MES-Bis-Tris . . . 1 $Varian_Inova 2 $HCN_cold_750 . . . . . . . . . . . . . . 17410 1 8 '3D HNCACB' no . . . . . . . . . . 1 $TitinA67-A68 isotropic . . 1 $MES-Bis-Tris . . . 1 $Varian_Inova 2 $HCN_cold_750 . . . . . . . . . . . . . . 17410 1 9 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $TitinA67-A68 isotropic . . 1 $MES-Bis-Tris . . . 1 $Varian_Inova 2 $HCN_cold_750 . . . . . . . . . . . . . . 17410 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 17410 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.25 . . . 1 $entry_citation . . 1 $entry_citation 17410 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.00 . . . 1 $entry_citation . . 1 $entry_citation 17410 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.10 . . . 1 $entry_citation . . 1 $entry_citation 17410 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 17410 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $MES-Bis-Tris _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 $TitinA67-A68 isotropic 17410 1 2 '3D HNCA' 1 $TitinA67-A68 isotropic 17410 1 3 '3D HNCACB' 1 $TitinA67-A68 isotropic 17410 1 4 '3D HN(CO)CA' 1 $TitinA67-A68 isotropic 17410 1 5 '3D HNCO' 1 $TitinA67-A68 isotropic 17410 1 6 'Expt_10 (H[N[ca[CO]]])' 1 $TitinA67-A68 isotropic 17410 1 7 'Expt_11 (H[N[co[{CA|ca[C]}]]])' 1 $TitinA67-A68 isotropic 17410 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 2 2 GLY C C 13 175.475 . . 1 . 1927 . . 1 GLY C . 17410 1 2 . 1 1 2 2 GLY CA C 13 44.854 . . 1 . 1458 . . 1 GLY CA . 17410 1 3 . 1 1 3 3 SER H H 1 7.995 0.005 . 1 . 870 . . 2 SER H . 17410 1 4 . 1 1 3 3 SER CA C 13 57.760 . . 1 . 1457 . . 2 SER CA . 17410 1 5 . 1 1 3 3 SER CB C 13 63.783 . . 1 . 1926 . . 2 SER CB . 17410 1 6 . 1 1 3 3 SER N N 15 115.007 0.024 . 1 . 869 . . 2 SER N . 17410 1 7 . 1 1 10 10 HIS C C 13 173.080 . . 1 . 1929 . . 9 HIS C . 17410 1 8 . 1 1 10 10 HIS CB C 13 29.799 . . 1 . 1933 . . 9 HIS CB . 17410 1 9 . 1 1 11 11 SER H H 1 8.201 0.008 . 1 . 814 . . 10 SER H . 17410 1 10 . 1 1 11 11 SER C C 13 174.734 . . 1 . 1930 . . 10 SER C . 17410 1 11 . 1 1 11 11 SER CA C 13 58.038 . . 1 . 1415 . . 10 SER CA . 17410 1 12 . 1 1 11 11 SER CB C 13 63.787 . . 1 . 1932 . . 10 SER CB . 17410 1 13 . 1 1 11 11 SER N N 15 115.374 0.115 . 1 . 813 . . 10 SER N . 17410 1 14 . 1 1 12 12 SER H H 1 8.462 0.007 . 1 . 750 . . 11 SER H . 17410 1 15 . 1 1 12 12 SER C C 13 174.489 . . 1 . 1928 . . 11 SER C . 17410 1 16 . 1 1 12 12 SER CA C 13 58.209 0.068 . 1 . 1362 . . 11 SER CA . 17410 1 17 . 1 1 12 12 SER CB C 13 63.164 . . 1 . 1129 . . 11 SER CB . 17410 1 18 . 1 1 12 12 SER N N 15 118.091 0.055 . 1 . 749 . . 11 SER N . 17410 1 19 . 1 1 13 13 GLY H H 1 8.359 0.002 . 1 . 786 . . 12 GLY H . 17410 1 20 . 1 1 13 13 GLY C C 13 175.619 . . 1 . 1582 . . 12 GLY C . 17410 1 21 . 1 1 13 13 GLY CA C 13 44.821 . . 1 . 1962 . . 12 GLY CA . 17410 1 22 . 1 1 13 13 GLY N N 15 110.576 0.064 . 1 . 785 . . 12 GLY N . 17410 1 23 . 1 1 14 14 LEU H H 1 8.035 0.004 . 1 . 858 . . 13 LEU H . 17410 1 24 . 1 1 14 14 LEU C C 13 172.258 . . 1 . 1583 . . 13 LEU C . 17410 1 25 . 1 1 14 14 LEU CA C 13 54.700 0.076 . 1 . 1546 . . 13 LEU CA . 17410 1 26 . 1 1 14 14 LEU CB C 13 41.668 . . 1 . 1584 . . 13 LEU CB . 17410 1 27 . 1 1 14 14 LEU N N 15 121.579 0.077 . 1 . 857 . . 13 LEU N . 17410 1 28 . 1 1 15 15 VAL H H 1 8.099 0.006 . 1 . 846 . . 14 VAL H . 17410 1 29 . 1 1 15 15 VAL C C 13 174.937 . . 1 . 1586 . . 14 VAL C . 17410 1 30 . 1 1 15 15 VAL CA C 13 59.354 . . 1 . 1321 . . 14 VAL CA . 17410 1 31 . 1 1 15 15 VAL CB C 13 32.186 . . 1 . 1585 . . 14 VAL CB . 17410 1 32 . 1 1 15 15 VAL N N 15 122.945 0.047 . 1 . 845 . . 14 VAL N . 17410 1 33 . 1 1 16 16 PRO CA C 13 62.671 . . 1 . 1359 . . 15 PRO CA . 17410 1 34 . 1 1 16 16 PRO CB C 13 31.823 . . 1 . 1934 . . 15 PRO CB . 17410 1 35 . 1 1 17 17 ARG H H 1 8.453 0.004 . 1 . 752 . . 16 ARG H . 17410 1 36 . 1 1 17 17 ARG C C 13 172.439 . . 1 . 1587 . . 16 ARG C . 17410 1 37 . 1 1 17 17 ARG CA C 13 55.927 . . 1 . 1360 . . 16 ARG CA . 17410 1 38 . 1 1 17 17 ARG CB C 13 30.686 . . 1 . 1588 . . 16 ARG CB . 17410 1 39 . 1 1 17 17 ARG N N 15 122.014 0.07 . 1 . 751 . . 16 ARG N . 17410 1 40 . 1 1 18 18 GLY H H 1 8.402 0.006 . 1 . 768 . . 17 GLY H . 17410 1 41 . 1 1 18 18 GLY C C 13 175.471 . . 1 . 1589 . . 17 GLY C . 17410 1 42 . 1 1 18 18 GLY CA C 13 44.798 . . 1 . 1371 . . 17 GLY CA . 17410 1 43 . 1 1 18 18 GLY N N 15 110.169 0.082 . 1 . 767 . . 17 GLY N . 17410 1 44 . 1 1 19 19 SER H H 1 8.052 0.003 . 1 . 856 . . 18 SER H . 17410 1 45 . 1 1 19 19 SER C C 13 175.217 . . 1 . 1590 . . 18 SER C . 17410 1 46 . 1 1 19 19 SER CA C 13 57.925 0.004 . 1 . 1345 . . 18 SER CA . 17410 1 47 . 1 1 19 19 SER CB C 13 63.756 . . 1 . 1591 . . 18 SER CB . 17410 1 48 . 1 1 19 19 SER N N 15 115.112 0.047 . 1 . 855 . . 18 SER N . 17410 1 49 . 1 1 20 20 HIS H H 1 8.561 0.004 . 1 . 728 . . 19 HIS H . 17410 1 50 . 1 1 20 20 HIS C C 13 175.342 . . 1 . 1593 . . 19 HIS C . 17410 1 51 . 1 1 20 20 HIS CA C 13 54.838 . . 1 . 1346 . . 19 HIS CA . 17410 1 52 . 1 1 20 20 HIS CB C 13 29.887 . . 1 . 1592 . . 19 HIS CB . 17410 1 53 . 1 1 20 20 HIS N N 15 119.759 0.043 . 1 . 727 . . 19 HIS N . 17410 1 54 . 1 1 22 22 PRO C C 13 173.457 . . 1 . 1935 . . 21 PRO C . 17410 1 55 . 1 1 22 22 PRO CA C 13 61.616 . . 1 . 1459 . . 21 PRO CA . 17410 1 56 . 1 1 22 22 PRO CB C 13 31.047 . . 1 . 1936 . . 21 PRO CB . 17410 1 57 . 1 1 23 23 SER H H 1 7.948 0.002 . 1 . 880 . . 22 SER H . 17410 1 58 . 1 1 23 23 SER C C 13 178.952 . . 1 . 1595 . . 22 SER C . 17410 1 59 . 1 1 23 23 SER CA C 13 57.310 . . 1 . 1460 . . 22 SER CA . 17410 1 60 . 1 1 23 23 SER CB C 13 62.865 . . 1 . 1594 . . 22 SER CB . 17410 1 61 . 1 1 23 23 SER N N 15 115.387 0.035 . 1 . 879 . . 22 SER N . 17410 1 62 . 1 1 25 25 PRO C C 13 172.461 . . 1 . 1938 . . 24 PRO C . 17410 1 63 . 1 1 25 25 PRO CA C 13 62.685 . . 1 . 1937 . . 24 PRO CA . 17410 1 64 . 1 1 25 25 PRO CB C 13 32.152 . . 1 . 1939 . . 24 PRO CB . 17410 1 65 . 1 1 26 26 ASP H H 1 8.906 0.01 . 1 . 652 . . 25 ASP H . 17410 1 66 . 1 1 26 26 ASP C C 13 174.721 . . 1 . 1596 . . 25 ASP C . 17410 1 67 . 1 1 26 26 ASP CA C 13 56.401 0.019 . 1 . 1298 . . 25 ASP CA . 17410 1 68 . 1 1 26 26 ASP CB C 13 41.358 . . 1 . 1597 . . 25 ASP CB . 17410 1 69 . 1 1 26 26 ASP N N 15 120.809 0.053 . 1 . 651 . . 25 ASP N . 17410 1 70 . 1 1 27 27 SER H H 1 7.094 0.003 . 1 . 980 . . 26 SER H . 17410 1 71 . 1 1 27 27 SER C C 13 178.974 . . 1 . 1599 . . 26 SER C . 17410 1 72 . 1 1 27 27 SER CA C 13 56.399 . . 1 . 1567 . . 26 SER CA . 17410 1 73 . 1 1 27 27 SER CB C 13 64.895 . . 1 . 1598 . . 26 SER CB . 17410 1 74 . 1 1 27 27 SER N N 15 107.844 0.053 . 1 . 979 . . 26 SER N . 17410 1 75 . 1 1 28 28 LEU H H 1 8.360 0.004 . 1 . 780 . . 27 LEU H . 17410 1 76 . 1 1 28 28 LEU C C 13 175.499 . . 1 . 1600 . . 27 LEU C . 17410 1 77 . 1 1 28 28 LEU CA C 13 54.834 . . 1 . 1382 . . 27 LEU CA . 17410 1 78 . 1 1 28 28 LEU CB C 13 41.592 . . 1 . 1601 . . 27 LEU CB . 17410 1 79 . 1 1 28 28 LEU N N 15 119.695 0.104 . 1 . 779 . . 27 LEU N . 17410 1 80 . 1 1 29 29 ASN H H 1 9.226 0.004 . 1 . 598 . . 28 ASN H . 17410 1 81 . 1 1 29 29 ASN C C 13 175.870 . . 1 . 1603 . . 28 ASN C . 17410 1 82 . 1 1 29 29 ASN CA C 13 53.212 0.002 . 1 . 1309 . . 28 ASN CA . 17410 1 83 . 1 1 29 29 ASN CB C 13 41.364 . . 1 . 1602 . . 28 ASN CB . 17410 1 84 . 1 1 29 29 ASN N N 15 124.026 0.06 . 1 . 597 . . 28 ASN N . 17410 1 85 . 1 1 30 30 ILE H H 1 8.819 0.007 . 1 . 672 . . 29 ILE H . 17410 1 86 . 1 1 30 30 ILE C C 13 173.071 . . 1 . 1604 . . 29 ILE C . 17410 1 87 . 1 1 30 30 ILE CA C 13 59.689 0.043 . 1 . 1533 . . 29 ILE CA . 17410 1 88 . 1 1 30 30 ILE CB C 13 36.097 . . 1 . 1605 . . 29 ILE CB . 17410 1 89 . 1 1 30 30 ILE N N 15 122.647 0.112 . 1 . 671 . . 29 ILE N . 17410 1 90 . 1 1 31 31 MET H H 1 9.065 0.003 . 1 . 1555 . . 30 MET H . 17410 1 91 . 1 1 31 31 MET C C 13 172.942 . . 1 . 1607 . . 30 MET C . 17410 1 92 . 1 1 31 31 MET CA C 13 53.773 . . 1 . 1272 . . 30 MET CA . 17410 1 93 . 1 1 31 31 MET CB C 13 30.548 . . 1 . 1606 . . 30 MET CB . 17410 1 94 . 1 1 31 31 MET N N 15 126.005 0.013 . 1 . 1556 . . 30 MET N . 17410 1 95 . 1 1 32 32 ASP H H 1 7.544 0.003 . 1 . 934 . . 31 ASP H . 17410 1 96 . 1 1 32 32 ASP C C 13 175.672 . . 1 . 1608 . . 31 ASP C . 17410 1 97 . 1 1 32 32 ASP CA C 13 53.916 . . 1 . 1501 . . 31 ASP CA . 17410 1 98 . 1 1 32 32 ASP CB C 13 43.298 . . 1 . 1609 . . 31 ASP CB . 17410 1 99 . 1 1 32 32 ASP N N 15 116.408 0.05 . 1 . 933 . . 31 ASP N . 17410 1 100 . 1 1 33 33 ILE H H 1 8.010 0.007 . 1 . 862 . . 32 ILE H . 17410 1 101 . 1 1 33 33 ILE C C 13 174.274 . . 1 . 1610 . . 32 ILE C . 17410 1 102 . 1 1 33 33 ILE CA C 13 61.338 0.029 . 1 . 1306 . . 32 ILE CA . 17410 1 103 . 1 1 33 33 ILE N N 15 122.559 0.107 . 1 . 861 . . 32 ILE N . 17410 1 104 . 1 1 34 34 THR H H 1 8.824 0.004 . 1 . 666 . . 33 THR H . 17410 1 105 . 1 1 34 34 THR C C 13 177.329 . . 1 . 1611 . . 33 THR C . 17410 1 106 . 1 1 34 34 THR CA C 13 59.871 0.025 . 1 . 1307 . . 33 THR CA . 17410 1 107 . 1 1 34 34 THR CB C 13 71.238 . . 1 . 1612 . . 33 THR CB . 17410 1 108 . 1 1 34 34 THR N N 15 118.134 0.089 . 1 . 665 . . 33 THR N . 17410 1 109 . 1 1 35 35 LYS H H 1 7.976 0.008 . 1 . 874 . . 34 LYS H . 17410 1 110 . 1 1 35 35 LYS C C 13 174.859 . . 1 . 1615 . . 34 LYS C . 17410 1 111 . 1 1 35 35 LYS CA C 13 58.393 0.141 . 1 . 1267 . . 34 LYS CA . 17410 1 112 . 1 1 35 35 LYS CB C 13 32.612 . . 1 . 1613 . . 34 LYS CB . 17410 1 113 . 1 1 35 35 LYS N N 15 112.168 0.035 . 1 . 873 . . 34 LYS N . 17410 1 114 . 1 1 36 36 SER H H 1 7.289 0.006 . 1 . 964 . . 35 SER H . 17410 1 115 . 1 1 36 36 SER CA C 13 57.316 . . 1 . 1510 . . 35 SER CA . 17410 1 116 . 1 1 36 36 SER CB C 13 65.920 . . 1 . 1616 . . 35 SER CB . 17410 1 117 . 1 1 36 36 SER N N 15 105.632 0.142 . 1 . 963 . . 35 SER N . 17410 1 118 . 1 1 37 37 THR H H 1 7.067 0.007 . 1 . 992 . . 36 THR H . 17410 1 119 . 1 1 37 37 THR C C 13 177.239 . . 1 . 1620 . . 36 THR C . 17410 1 120 . 1 1 37 37 THR CA C 13 58.859 . . 1 . 1518 . . 36 THR CA . 17410 1 121 . 1 1 37 37 THR CB C 13 73.024 . . 1 . 1617 . . 36 THR CB . 17410 1 122 . 1 1 37 37 THR N N 15 111.111 0.045 . 1 . 991 . . 36 THR N . 17410 1 123 . 1 1 38 38 VAL H H 1 8.208 0.002 . 1 . 812 . . 37 VAL H . 17410 1 124 . 1 1 38 38 VAL C C 13 174.878 . . 1 . 1619 . . 37 VAL C . 17410 1 125 . 1 1 38 38 VAL CA C 13 61.039 0.078 . 1 . 1211 . . 37 VAL CA . 17410 1 126 . 1 1 38 38 VAL CB C 13 36.940 . . 1 . 1618 . . 37 VAL CB . 17410 1 127 . 1 1 38 38 VAL N N 15 116.706 0.054 . 1 . 811 . . 37 VAL N . 17410 1 128 . 1 1 39 39 SER H H 1 8.651 0.004 . 1 . 714 . . 38 SER H . 17410 1 129 . 1 1 39 39 SER CA C 13 57.160 0.042 . 1 . 1273 . . 38 SER CA . 17410 1 130 . 1 1 39 39 SER CB C 13 62.708 . . 1 . 1621 . . 38 SER CB . 17410 1 131 . 1 1 39 39 SER N N 15 122.746 0.077 . 1 . 713 . . 38 SER N . 17410 1 132 . 1 1 40 40 LEU H H 1 9.050 0.003 . 1 . 616 . . 39 LEU H . 17410 1 133 . 1 1 40 40 LEU C C 13 172.609 . . 1 . 1623 . . 39 LEU C . 17410 1 134 . 1 1 40 40 LEU CA C 13 52.826 0.058 . 1 . 1314 . . 39 LEU CA . 17410 1 135 . 1 1 40 40 LEU CB C 13 46.387 . . 1 . 1622 . . 39 LEU CB . 17410 1 136 . 1 1 40 40 LEU N N 15 126.014 0.118 . 1 . 615 . . 39 LEU N . 17410 1 137 . 1 1 41 41 ALA H H 1 8.783 0.003 . 1 . 682 . . 40 ALA H . 17410 1 138 . 1 1 41 41 ALA C C 13 173.991 . . 1 . 1624 . . 40 ALA C . 17410 1 139 . 1 1 41 41 ALA CA C 13 51.970 0.01 . 1 . 1496 . . 40 ALA CA . 17410 1 140 . 1 1 41 41 ALA CB C 13 22.713 . . 1 . 1625 . . 40 ALA CB . 17410 1 141 . 1 1 41 41 ALA N N 15 121.981 0.077 . 1 . 681 . . 40 ALA N . 17410 1 142 . 1 1 42 42 TRP H H 1 7.580 0.003 . 1 . 924 . . 41 TRP H . 17410 1 143 . 1 1 42 42 TRP C C 13 177.443 . . 1 . 1627 . . 41 TRP C . 17410 1 144 . 1 1 42 42 TRP CA C 13 54.117 . . 1 . 1495 . . 41 TRP CA . 17410 1 145 . 1 1 42 42 TRP CB C 13 30.362 . . 1 . 1626 . . 41 TRP CB . 17410 1 146 . 1 1 42 42 TRP N N 15 119.671 0.058 . 1 . 923 . . 41 TRP N . 17410 1 147 . 1 1 45 45 PRO C C 13 172.703 . . 1 . 1941 . . 44 PRO C . 17410 1 148 . 1 1 45 45 PRO CA C 13 62.662 . . 1 . 1894 . . 44 PRO CA . 17410 1 149 . 1 1 45 45 PRO CB C 13 32.858 . . 1 . 1940 . . 44 PRO CB . 17410 1 150 . 1 1 46 46 LYS H H 1 8.862 0.002 . 1 . 660 . . 45 LYS H . 17410 1 151 . 1 1 46 46 LYS C C 13 173.402 . . 1 . 1628 . . 45 LYS C . 17410 1 152 . 1 1 46 46 LYS CA C 13 57.233 0.016 . 1 . 1542 . . 45 LYS CA . 17410 1 153 . 1 1 46 46 LYS CB C 13 32.366 . . 1 . 1629 . . 45 LYS CB . 17410 1 154 . 1 1 46 46 LYS N N 15 121.847 0.055 . 1 . 659 . . 45 LYS N . 17410 1 155 . 1 1 47 47 HIS H H 1 7.147 0.004 . 1 . 1540 . . 46 HIS H . 17410 1 156 . 1 1 47 47 HIS C C 13 175.048 . . 1 . 1631 . . 46 HIS C . 17410 1 157 . 1 1 47 47 HIS CA C 13 54.544 0.027 . 1 . 1399 . . 46 HIS CA . 17410 1 158 . 1 1 47 47 HIS CB C 13 32.278 . . 1 . 1630 . . 46 HIS CB . 17410 1 159 . 1 1 47 47 HIS N N 15 114.662 0.045 . 1 . 1541 . . 46 HIS N . 17410 1 160 . 1 1 48 48 ASP H H 1 8.219 0.007 . 1 . 802 . . 47 ASP H . 17410 1 161 . 1 1 48 48 ASP C C 13 173.882 . . 1 . 1632 . . 47 ASP C . 17410 1 162 . 1 1 48 48 ASP CA C 13 52.778 0.041 . 1 . 1493 . . 47 ASP CA . 17410 1 163 . 1 1 48 48 ASP CB C 13 40.797 . . 1 . 1633 . . 47 ASP CB . 17410 1 164 . 1 1 48 48 ASP N N 15 122.631 0.152 . 1 . 801 . . 47 ASP N . 17410 1 165 . 1 1 49 49 GLY H H 1 7.616 0.006 . 1 . 920 . . 48 GLY H . 17410 1 166 . 1 1 49 49 GLY C C 13 174.640 . . 1 . 1634 . . 48 GLY C . 17410 1 167 . 1 1 49 49 GLY CA C 13 45.394 0.037 . 1 . 1326 . . 48 GLY CA . 17410 1 168 . 1 1 49 49 GLY N N 15 105.290 0.07 . 1 . 919 . . 48 GLY N . 17410 1 169 . 1 1 50 50 GLY H H 1 8.716 0.006 . 1 . 694 . . 49 GLY H . 17410 1 170 . 1 1 50 50 GLY C C 13 175.477 . . 1 . 1635 . . 49 GLY C . 17410 1 171 . 1 1 50 50 GLY CA C 13 44.501 . . 1 . 1327 . . 49 GLY CA . 17410 1 172 . 1 1 50 50 GLY N N 15 107.298 0.033 . 1 . 693 . . 49 GLY N . 17410 1 173 . 1 1 51 51 SER H H 1 7.137 0.005 . 1 . 974 . . 50 SER H . 17410 1 174 . 1 1 51 51 SER C C 13 177.266 . . 1 . 1636 . . 50 SER C . 17410 1 175 . 1 1 51 51 SER CA C 13 56.898 0.018 . 1 . 1514 . . 50 SER CA . 17410 1 176 . 1 1 51 51 SER CB C 13 64.332 . . 1 . 1637 . . 50 SER CB . 17410 1 177 . 1 1 51 51 SER N N 15 114.741 0.032 . 1 . 973 . . 50 SER N . 17410 1 178 . 1 1 52 52 LYS H H 1 7.899 0.002 . 1 . 882 . . 51 LYS H . 17410 1 179 . 1 1 52 52 LYS C C 13 172.235 . . 1 . 1639 . . 51 LYS C . 17410 1 180 . 1 1 52 52 LYS CA C 13 56.556 0.076 . 1 . 1341 . . 51 LYS CA . 17410 1 181 . 1 1 52 52 LYS CB C 13 32.948 . . 1 . 1638 . . 51 LYS CB . 17410 1 182 . 1 1 52 52 LYS N N 15 120.700 0.041 . 1 . 881 . . 51 LYS N . 17410 1 183 . 1 1 53 53 ILE H H 1 8.611 0.002 . 1 . 720 . . 52 ILE H . 17410 1 184 . 1 1 53 53 ILE C C 13 171.365 . . 1 . 1640 . . 52 ILE C . 17410 1 185 . 1 1 53 53 ILE CB C 13 37.589 . . 1 . 1641 . . 52 ILE CB . 17410 1 186 . 1 1 53 53 ILE N N 15 123.622 0.039 . 1 . 719 . . 52 ILE N . 17410 1 187 . 1 1 54 54 THR H H 1 9.203 0.011 . 1 . 602 . . 53 THR H . 17410 1 188 . 1 1 54 54 THR C C 13 174.376 . . 1 . 1643 . . 53 THR C . 17410 1 189 . 1 1 54 54 THR CA C 13 61.154 0.096 . 1 . 1261 . . 53 THR CA . 17410 1 190 . 1 1 54 54 THR CB C 13 68.917 . . 1 . 1642 . . 53 THR CB . 17410 1 191 . 1 1 54 54 THR N N 15 119.967 0.142 . 1 . 601 . . 53 THR N . 17410 1 192 . 1 1 55 55 GLY H H 1 7.319 0.002 . 1 . 956 . . 54 GLY H . 17410 1 193 . 1 1 55 55 GLY C C 13 180.652 . . 1 . 1644 . . 54 GLY C . 17410 1 194 . 1 1 55 55 GLY CA C 13 44.824 0.015 . 1 . 1278 . . 54 GLY CA . 17410 1 195 . 1 1 55 55 GLY N N 15 110.317 0.04 . 1 . 955 . . 54 GLY N . 17410 1 196 . 1 1 56 56 TYR H H 1 9.030 0.003 . 1 . 620 . . 55 TYR H . 17410 1 197 . 1 1 56 56 TYR C C 13 174.811 . . 1 . 1646 . . 55 TYR C . 17410 1 198 . 1 1 56 56 TYR CA C 13 56.239 0.019 . 1 . 1284 . . 55 TYR CA . 17410 1 199 . 1 1 56 56 TYR CB C 13 41.364 . . 1 . 1645 . . 55 TYR CB . 17410 1 200 . 1 1 56 56 TYR N N 15 115.206 0.027 . 1 . 619 . . 55 TYR N . 17410 1 201 . 1 1 57 57 VAL H H 1 9.004 0.007 . 1 . 626 . . 56 VAL H . 17410 1 202 . 1 1 57 57 VAL C C 13 175.023 . . 1 . 1647 . . 56 VAL C . 17410 1 203 . 1 1 57 57 VAL CA C 13 60.885 . . 1 . 1281 . . 56 VAL CA . 17410 1 204 . 1 1 57 57 VAL CB C 13 34.510 . . 1 . 1648 . . 56 VAL CB . 17410 1 205 . 1 1 57 57 VAL N N 15 122.593 0.148 . 1 . 625 . . 56 VAL N . 17410 1 206 . 1 1 58 58 ILE H H 1 8.431 0.002 . 1 . 758 . . 57 ILE H . 17410 1 207 . 1 1 58 58 ILE C C 13 173.764 . . 1 . 1650 . . 57 ILE C . 17410 1 208 . 1 1 58 58 ILE CA C 13 57.201 . . 1 . 1368 . . 57 ILE CA . 17410 1 209 . 1 1 58 58 ILE CB C 13 38.155 . . 1 . 1649 . . 57 ILE CB . 17410 1 210 . 1 1 58 58 ILE N N 15 125.726 0.057 . 1 . 757 . . 57 ILE N . 17410 1 211 . 1 1 59 59 GLU H H 1 8.765 0.003 . 1 . 684 . . 58 GLU H . 17410 1 212 . 1 1 59 59 GLU C C 13 174.518 . . 1 . 1651 . . 58 GLU C . 17410 1 213 . 1 1 59 59 GLU CA C 13 53.465 0.043 . 1 . 1287 . . 58 GLU CA . 17410 1 214 . 1 1 59 59 GLU CB C 13 36.036 . . 1 . 1652 . . 58 GLU CB . 17410 1 215 . 1 1 59 59 GLU N N 15 124.027 0.035 . 1 . 683 . . 58 GLU N . 17410 1 216 . 1 1 60 60 ALA H H 1 9.145 0.002 . 1 . 606 . . 59 ALA H . 17410 1 217 . 1 1 60 60 ALA C C 13 173.660 . . 1 . 1654 . . 59 ALA C . 17410 1 218 . 1 1 60 60 ALA CA C 13 50.356 0.004 . 1 . 1302 . . 59 ALA CA . 17410 1 219 . 1 1 60 60 ALA CB C 13 25.171 . . 1 . 1653 . . 59 ALA CB . 17410 1 220 . 1 1 60 60 ALA N N 15 120.459 0.106 . 1 . 605 . . 59 ALA N . 17410 1 221 . 1 1 61 61 GLN H H 1 8.885 0.002 . 1 . 658 . . 60 GLN H . 17410 1 222 . 1 1 61 61 GLN C C 13 174.482 . . 1 . 1655 . . 60 GLN C . 17410 1 223 . 1 1 61 61 GLN CA C 13 54.042 0.028 . 1 . 1301 . . 60 GLN CA . 17410 1 224 . 1 1 61 61 GLN CB C 13 31.671 0.002 . 1 . 1086 . . 60 GLN CB . 17410 1 225 . 1 1 61 61 GLN N N 15 122.455 0.043 . 1 . 657 . . 60 GLN N . 17410 1 226 . 1 1 62 62 ARG H H 1 8.505 0.008 . 1 . 740 . . 61 ARG H . 17410 1 227 . 1 1 62 62 ARG C C 13 173.725 . . 1 . 1657 . . 61 ARG C . 17410 1 228 . 1 1 62 62 ARG CA C 13 54.583 0.039 . 1 . 1402 . . 61 ARG CA . 17410 1 229 . 1 1 62 62 ARG CB C 13 30.863 . . 1 . 1656 . . 61 ARG CB . 17410 1 230 . 1 1 62 62 ARG N N 15 129.920 0.066 . 1 . 739 . . 61 ARG N . 17410 1 231 . 1 1 63 63 LYS H H 1 8.205 0.003 . 1 . 806 . . 62 LYS H . 17410 1 232 . 1 1 63 63 LYS C C 13 172.282 . . 1 . 1658 . . 62 LYS C . 17410 1 233 . 1 1 63 63 LYS CA C 13 57.845 0.016 . 1 . 1317 . . 62 LYS CA . 17410 1 234 . 1 1 63 63 LYS CB C 13 31.916 . . 1 . 1659 . . 62 LYS CB . 17410 1 235 . 1 1 63 63 LYS N N 15 126.968 0.094 . 1 . 805 . . 62 LYS N . 17410 1 236 . 1 1 64 64 GLY H H 1 8.756 0.003 . 1 . 688 . . 63 GLY H . 17410 1 237 . 1 1 64 64 GLY C C 13 175.401 . . 1 . 1660 . . 63 GLY C . 17410 1 238 . 1 1 64 64 GLY CA C 13 44.493 0.065 . 1 . 1046 . . 63 GLY CA . 17410 1 239 . 1 1 64 64 GLY N N 15 115.824 0.05 . 1 . 687 . . 63 GLY N . 17410 1 240 . 1 1 65 65 SER H H 1 8.020 0.008 . 1 . 860 . . 64 SER H . 17410 1 241 . 1 1 65 65 SER C C 13 175.643 . . 1 . 1661 . . 64 SER C . 17410 1 242 . 1 1 65 65 SER CA C 13 56.570 0.005 . 1 . 1420 . . 64 SER CA . 17410 1 243 . 1 1 65 65 SER CB C 13 63.754 . . 1 . 1662 . . 64 SER CB . 17410 1 244 . 1 1 65 65 SER N N 15 115.455 0.066 . 1 . 859 . . 64 SER N . 17410 1 245 . 1 1 66 66 ASP H H 1 8.190 0.002 . 1 . 818 . . 65 ASP H . 17410 1 246 . 1 1 66 66 ASP C C 13 173.624 . . 1 . 1664 . . 65 ASP C . 17410 1 247 . 1 1 66 66 ASP CA C 13 53.340 0.044 . 1 . 1480 . . 65 ASP CA . 17410 1 248 . 1 1 66 66 ASP CB C 13 40.720 . . 1 . 1663 . . 65 ASP CB . 17410 1 249 . 1 1 66 66 ASP N N 15 121.668 0.038 . 1 . 817 . . 65 ASP N . 17410 1 250 . 1 1 67 67 GLN H H 1 7.838 0.004 . 1 . 892 . . 66 GLN H . 17410 1 251 . 1 1 67 67 GLN C C 13 173.986 . . 1 . 1665 . . 66 GLN C . 17410 1 252 . 1 1 67 67 GLN CA C 13 54.360 0.006 . 1 . 1481 . . 66 GLN CA . 17410 1 253 . 1 1 67 67 GLN CB C 13 30.880 . . 1 . 1666 . . 66 GLN CB . 17410 1 254 . 1 1 67 67 GLN N N 15 118.057 0.047 . 1 . 891 . . 66 GLN N . 17410 1 255 . 1 1 68 68 TRP H H 1 8.827 0.005 . 1 . 662 . . 67 TRP H . 17410 1 256 . 1 1 68 68 TRP C C 13 172.714 . . 1 . 1668 . . 67 TRP C . 17410 1 257 . 1 1 68 68 TRP CA C 13 56.370 . . 1 . 1305 . . 67 TRP CA . 17410 1 258 . 1 1 68 68 TRP CB C 13 30.545 . . 1 . 1667 . . 67 TRP CB . 17410 1 259 . 1 1 68 68 TRP N N 15 125.418 0.058 . 1 . 661 . . 67 TRP N . 17410 1 260 . 1 1 69 69 THR H H 1 9.571 0.003 . 1 . 580 . . 68 THR H . 17410 1 261 . 1 1 69 69 THR C C 13 175.202 . . 1 . 1669 . . 68 THR C . 17410 1 262 . 1 1 69 69 THR CA C 13 60.998 0.024 . 1 . 1247 . . 68 THR CA . 17410 1 263 . 1 1 69 69 THR CB C 13 70.665 . . 1 . 1670 . . 68 THR CB . 17410 1 264 . 1 1 69 69 THR N N 15 120.737 0.095 . 1 . 579 . . 68 THR N . 17410 1 265 . 1 1 70 70 HIS H H 1 9.201 0.004 . 1 . 600 . . 69 HIS H . 17410 1 266 . 1 1 70 70 HIS C C 13 174.870 . . 1 . 1672 . . 69 HIS C . 17410 1 267 . 1 1 70 70 HIS CA C 13 58.451 . . 1 . 1260 . . 69 HIS CA . 17410 1 268 . 1 1 70 70 HIS CB C 13 30.481 . . 1 . 1671 . . 69 HIS CB . 17410 1 269 . 1 1 70 70 HIS N N 15 126.339 0.049 . 1 . 599 . . 69 HIS N . 17410 1 270 . 1 1 71 71 ILE C C 13 173.814 . . 1 . 1942 . . 70 ILE C . 17410 1 271 . 1 1 71 71 ILE CA C 13 59.416 . . 1 . 1943 . . 70 ILE CA . 17410 1 272 . 1 1 72 72 THR H H 1 7.117 0.009 . 1 . 978 . . 71 THR H . 17410 1 273 . 1 1 72 72 THR C C 13 178.515 . . 1 . 1673 . . 71 THR C . 17410 1 274 . 1 1 72 72 THR CA C 13 60.198 0.05 . 1 . 1515 . . 71 THR CA . 17410 1 275 . 1 1 72 72 THR CB C 13 67.332 . . 1 . 1674 . . 71 THR CB . 17410 1 276 . 1 1 72 72 THR N N 15 109.000 0.107 . 1 . 977 . . 71 THR N . 17410 1 277 . 1 1 73 73 THR H H 1 7.795 0.005 . 1 . 898 . . 72 THR H . 17410 1 278 . 1 1 73 73 THR C C 13 174.760 . . 1 . 1676 . . 72 THR C . 17410 1 279 . 1 1 73 73 THR CA C 13 60.892 0.021 . 1 . 1255 . . 72 THR CA . 17410 1 280 . 1 1 73 73 THR CB C 13 70.545 . . 1 . 1675 . . 72 THR CB . 17410 1 281 . 1 1 73 73 THR N N 15 119.949 0.066 . 1 . 897 . . 72 THR N . 17410 1 282 . 1 1 74 74 VAL H H 1 9.374 0.003 . 1 . 592 . . 73 VAL H . 17410 1 283 . 1 1 74 74 VAL C C 13 174.105 . . 1 . 1677 . . 73 VAL C . 17410 1 284 . 1 1 74 74 VAL CA C 13 59.087 0.076 . 1 . 1322 . . 73 VAL CA . 17410 1 285 . 1 1 74 74 VAL CB C 13 35.589 . . 1 . 1678 . . 73 VAL CB . 17410 1 286 . 1 1 74 74 VAL N N 15 120.108 0.104 . 1 . 591 . . 73 VAL N . 17410 1 287 . 1 1 75 75 LYS H H 1 8.710 0.007 . 1 . 698 . . 74 LYS H . 17410 1 288 . 1 1 75 75 LYS C C 13 171.945 . . 1 . 1680 . . 74 LYS C . 17410 1 289 . 1 1 75 75 LYS CA C 13 56.621 0.014 . 1 . 1323 . . 74 LYS CA . 17410 1 290 . 1 1 75 75 LYS CB C 13 33.651 . . 1 . 1679 . . 74 LYS CB . 17410 1 291 . 1 1 75 75 LYS N N 15 119.717 0.042 . 1 . 697 . . 74 LYS N . 17410 1 292 . 1 1 76 76 GLY H H 1 7.599 0.004 . 1 . 922 . . 75 GLY H . 17410 1 293 . 1 1 76 76 GLY C C 13 179.615 . . 1 . 1681 . . 75 GLY C . 17410 1 294 . 1 1 76 76 GLY CA C 13 43.706 0.001 . 1 . 1511 . . 75 GLY CA . 17410 1 295 . 1 1 76 76 GLY N N 15 108.585 0.149 . 1 . 921 . . 75 GLY N . 17410 1 296 . 1 1 77 77 LEU H H 1 7.257 0.003 . 1 . 968 . . 76 LEU H . 17410 1 297 . 1 1 77 77 LEU C C 13 174.692 . . 1 . 1682 . . 76 LEU C . 17410 1 298 . 1 1 77 77 LEU CA C 13 52.640 0.027 . 1 . 1531 . . 76 LEU CA . 17410 1 299 . 1 1 77 77 LEU CB C 13 39.663 . . 1 . 1683 . . 76 LEU CB . 17410 1 300 . 1 1 77 77 LEU N N 15 113.782 0.109 . 1 . 967 . . 76 LEU N . 17410 1 301 . 1 1 78 78 GLU H H 1 6.417 0.007 . 1 . 1034 . . 77 GLU H . 17410 1 302 . 1 1 78 78 GLU C C 13 173.805 . . 1 . 1685 . . 77 GLU C . 17410 1 303 . 1 1 78 78 GLU CA C 13 53.654 0.1 . 1 . 1356 . . 77 GLU CA . 17410 1 304 . 1 1 78 78 GLU CB C 13 32.819 . . 1 . 1684 . . 77 GLU CB . 17410 1 305 . 1 1 78 78 GLU N N 15 110.929 0.061 . 1 . 1033 . . 77 GLU N . 17410 1 306 . 1 1 79 79 CYS H H 1 8.403 0.004 . 1 . 766 . . 78 CYS H . 17410 1 307 . 1 1 79 79 CYS C C 13 177.937 . . 1 . 1687 . . 78 CYS C . 17410 1 308 . 1 1 79 79 CYS CA C 13 57.417 0.01 . 1 . 1554 . . 78 CYS CA . 17410 1 309 . 1 1 79 79 CYS CB C 13 30.758 . . 1 . 1686 . . 78 CYS CB . 17410 1 310 . 1 1 79 79 CYS N N 15 113.834 0.047 . 1 . 765 . . 78 CYS N . 17410 1 311 . 1 1 80 80 VAL H H 1 8.502 0.003 . 1 . 1549 . . 79 VAL H . 17410 1 312 . 1 1 80 80 VAL C C 13 174.185 . . 1 . 1688 . . 79 VAL C . 17410 1 313 . 1 1 80 80 VAL CA C 13 61.712 . . 1 . 1550 . . 79 VAL CA . 17410 1 314 . 1 1 80 80 VAL CB C 13 32.683 . . 1 . 1689 . . 79 VAL CB . 17410 1 315 . 1 1 80 80 VAL N N 15 123.304 0.03 . 1 . 1551 . . 79 VAL N . 17410 1 316 . 1 1 81 81 VAL H H 1 9.231 0.007 . 1 . 596 . . 80 VAL H . 17410 1 317 . 1 1 81 81 VAL C C 13 174.592 . . 1 . 1691 . . 80 VAL C . 17410 1 318 . 1 1 81 81 VAL CA C 13 62.026 0.092 . 1 . 1258 . . 80 VAL CA . 17410 1 319 . 1 1 81 81 VAL CB C 13 31.667 . . 1 . 1690 . . 80 VAL CB . 17410 1 320 . 1 1 81 81 VAL N N 15 129.817 0.128 . 1 . 595 . . 80 VAL N . 17410 1 321 . 1 1 82 82 ARG H H 1 8.392 0.003 . 1 . 770 . . 81 ARG H . 17410 1 322 . 1 1 82 82 ARG C C 13 174.665 . . 1 . 1692 . . 81 ARG C . 17410 1 323 . 1 1 82 82 ARG CA C 13 53.965 . . 1 . 1376 . . 81 ARG CA . 17410 1 324 . 1 1 82 82 ARG CB C 13 31.879 . . 1 . 1693 . . 81 ARG CB . 17410 1 325 . 1 1 82 82 ARG N N 15 124.229 0.051 . 1 . 769 . . 81 ARG N . 17410 1 326 . 1 1 83 83 ASN H H 1 8.827 0.004 . 1 . 668 . . 82 ASN H . 17410 1 327 . 1 1 83 83 ASN CA C 13 53.925 . . 1 . 1308 . . 82 ASN CA . 17410 1 328 . 1 1 83 83 ASN CB C 13 36.972 . . 1 . 1694 . . 82 ASN CB . 17410 1 329 . 1 1 83 83 ASN N N 15 112.235 0.032 . 1 . 667 . . 82 ASN N . 17410 1 330 . 1 1 84 84 LEU H H 1 8.316 0.002 . 1 . 792 . . 83 LEU H . 17410 1 331 . 1 1 84 84 LEU C C 13 173.086 . . 1 . 1695 . . 83 LEU C . 17410 1 332 . 1 1 84 84 LEU CA C 13 53.462 . . 1 . 1392 . . 83 LEU CA . 17410 1 333 . 1 1 84 84 LEU CB C 13 42.190 . . 1 . 1696 . . 83 LEU CB . 17410 1 334 . 1 1 84 84 LEU N N 15 118.484 0.047 . 1 . 791 . . 83 LEU N . 17410 1 335 . 1 1 85 85 THR H H 1 8.186 0.01 . 1 . 828 . . 84 THR H . 17410 1 336 . 1 1 85 85 THR C C 13 176.565 . . 1 . 1698 . . 84 THR C . 17410 1 337 . 1 1 85 85 THR CA C 13 62.805 0.013 . 1 . 1419 . . 84 THR CA . 17410 1 338 . 1 1 85 85 THR CB C 13 69.710 . . 1 . 1697 . . 84 THR CB . 17410 1 339 . 1 1 85 85 THR N N 15 118.393 0.038 . 1 . 827 . . 84 THR N . 17410 1 340 . 1 1 86 86 GLU H H 1 8.191 0.003 . 1 . 816 . . 85 GLU H . 17410 1 341 . 1 1 86 86 GLU C C 13 171.447 . . 1 . 1699 . . 85 GLU C . 17410 1 342 . 1 1 86 86 GLU CA C 13 57.339 0.053 . 1 . 1238 . . 85 GLU CA . 17410 1 343 . 1 1 86 86 GLU CB C 13 29.103 . . 1 . 1700 . . 85 GLU CB . 17410 1 344 . 1 1 86 86 GLU N N 15 129.197 0.062 . 1 . 815 . . 85 GLU N . 17410 1 345 . 1 1 87 87 GLY H H 1 9.998 0.003 . 1 . 570 . . 86 GLY H . 17410 1 346 . 1 1 87 87 GLY CA C 13 44.549 0.013 . 1 . 1701 . . 86 GLY CA . 17410 1 347 . 1 1 87 87 GLY N N 15 115.576 0.038 . 1 . 569 . . 86 GLY N . 17410 1 348 . 1 1 88 88 GLU H H 1 7.780 0.002 . 1 . 896 . . 87 GLU H . 17410 1 349 . 1 1 88 88 GLU C C 13 176.445 . . 1 . 1703 . . 87 GLU C . 17410 1 350 . 1 1 88 88 GLU CA C 13 54.380 0.017 . 1 . 1482 . . 87 GLU CA . 17410 1 351 . 1 1 88 88 GLU CB C 13 30.663 . . 1 . 1702 . . 87 GLU CB . 17410 1 352 . 1 1 88 88 GLU N N 15 120.953 0.038 . 1 . 895 . . 87 GLU N . 17410 1 353 . 1 1 89 89 GLU H H 1 8.517 . . 1 . 1922 . . 88 GLU H . 17410 1 354 . 1 1 89 89 GLU C C 13 174.600 . . 1 . 1920 . . 88 GLU C . 17410 1 355 . 1 1 89 89 GLU CA C 13 53.584 . . 1 . 1919 . . 88 GLU CA . 17410 1 356 . 1 1 89 89 GLU N N 15 123.299 . . 1 . 1923 . . 88 GLU N . 17410 1 357 . 1 1 90 90 TYR H H 1 8.993 0.004 . 1 . 630 . . 89 TYR H . 17410 1 358 . 1 1 90 90 TYR CA C 13 55.928 . . 1 . 1282 . . 89 TYR CA . 17410 1 359 . 1 1 90 90 TYR CB C 13 43.823 . . 1 . 1704 . . 89 TYR CB . 17410 1 360 . 1 1 90 90 TYR N N 15 123.169 0.069 . 1 . 629 . . 89 TYR N . 17410 1 361 . 1 1 91 91 THR H H 1 8.121 0.009 . 1 . 844 . . 90 THR H . 17410 1 362 . 1 1 91 91 THR C C 13 177.622 . . 1 . 1706 . . 90 THR C . 17410 1 363 . 1 1 91 91 THR CA C 13 62.174 0.015 . 1 . 1190 . . 90 THR CA . 17410 1 364 . 1 1 91 91 THR CB C 13 70.378 . . 1 . 1705 . . 90 THR CB . 17410 1 365 . 1 1 91 91 THR N N 15 114.562 0.108 . 1 . 843 . . 90 THR N . 17410 1 366 . 1 1 92 92 PHE H H 1 7.995 0.008 . 1 . 1188 . . 91 PHE H . 17410 1 367 . 1 1 92 92 PHE C C 13 175.311 . . 1 . 1707 . . 91 PHE C . 17410 1 368 . 1 1 92 92 PHE CA C 13 56.001 0.087 . 1 . 1189 . . 91 PHE CA . 17410 1 369 . 1 1 92 92 PHE CB C 13 42.749 . . 1 . 1708 . . 91 PHE CB . 17410 1 370 . 1 1 92 92 PHE N N 15 122.588 0.024 . 1 . 1187 . . 91 PHE N . 17410 1 371 . 1 1 93 93 GLN H H 1 8.976 0.003 . 1 . 634 . . 92 GLN H . 17410 1 372 . 1 1 93 93 GLN C C 13 176.872 0.043 . 1 . 1709 . . 92 GLN C . 17410 1 373 . 1 1 93 93 GLN CA C 13 53.758 0.022 . 1 . 1394 . . 92 GLN CA . 17410 1 374 . 1 1 93 93 GLN CB C 13 30.064 . . 1 . 1710 . . 92 GLN CB . 17410 1 375 . 1 1 93 93 GLN N N 15 115.147 0.07 . 1 . 633 . . 92 GLN N . 17410 1 376 . 1 1 94 94 VAL H H 1 8.307 0.004 . 1 . 1160 . . 93 VAL H . 17410 1 377 . 1 1 94 94 VAL C C 13 173.145 . . 1 . 1712 . . 93 VAL C . 17410 1 378 . 1 1 94 94 VAL CA C 13 56.237 0.103 . 1 . 1393 . . 93 VAL CA . 17410 1 379 . 1 1 94 94 VAL CB C 13 34.135 . . 1 . 1711 . . 93 VAL CB . 17410 1 380 . 1 1 94 94 VAL N N 15 118.035 0.05 . 1 . 1161 . . 93 VAL N . 17410 1 381 . 1 1 95 95 MET H H 1 8.523 0.002 . 1 . 1576 . . 94 MET H . 17410 1 382 . 1 1 95 95 MET N N 15 123.244 0.052 . 1 . 1578 . . 94 MET N . 17410 1 383 . 1 1 96 96 ALA H H 1 8.542 0.009 . 1 . 734 . . 95 ALA H . 17410 1 384 . 1 1 96 96 ALA C C 13 173.795 . . 1 . 1713 . . 95 ALA C . 17410 1 385 . 1 1 96 96 ALA CA C 13 50.558 0.001 . 1 . 1397 . . 95 ALA CA . 17410 1 386 . 1 1 96 96 ALA CB C 13 22.147 . . 1 . 1714 . . 95 ALA CB . 17410 1 387 . 1 1 96 96 ALA N N 15 124.082 0.104 . 1 . 733 . . 95 ALA N . 17410 1 388 . 1 1 97 97 VAL H H 1 8.278 0.003 . 1 . 798 . . 96 VAL H . 17410 1 389 . 1 1 97 97 VAL C C 13 174.492 . . 1 . 1717 . . 96 VAL C . 17410 1 390 . 1 1 97 97 VAL CA C 13 60.979 . . 1 . 1716 . . 96 VAL CA . 17410 1 391 . 1 1 97 97 VAL CB C 13 33.715 . . 1 . 1715 . . 96 VAL CB . 17410 1 392 . 1 1 97 97 VAL N N 15 120.638 0.061 . 1 . 797 . . 96 VAL N . 17410 1 393 . 1 1 98 98 ASN H H 1 8.638 0.008 . 1 . 716 . . 97 ASN H . 17410 1 394 . 1 1 98 98 ASN C C 13 172.863 . . 1 . 1718 . . 97 ASN C . 17410 1 395 . 1 1 98 98 ASN CA C 13 51.029 0.018 . 1 . 1398 . . 97 ASN CA . 17410 1 396 . 1 1 98 98 ASN CB C 13 41.392 . . 1 . 1719 . . 97 ASN CB . 17410 1 397 . 1 1 98 98 ASN N N 15 124.552 0.066 . 1 . 715 . . 97 ASN N . 17410 1 398 . 1 1 99 99 SER H H 1 8.276 0.009 . 1 . 800 . . 98 SER H . 17410 1 399 . 1 1 99 99 SER C C 13 174.739 . . 1 . 1722 . . 98 SER C . 17410 1 400 . 1 1 99 99 SER CA C 13 60.941 . . 1 . 1721 . . 98 SER CA . 17410 1 401 . 1 1 99 99 SER CB C 13 62.718 . . 1 . 1720 . . 98 SER CB . 17410 1 402 . 1 1 99 99 SER N N 15 111.595 0.054 . 1 . 799 . . 98 SER N . 17410 1 403 . 1 1 100 100 ALA H H 1 7.848 0.005 . 1 . 1042 . . 99 ALA H . 17410 1 404 . 1 1 100 100 ALA C C 13 171.883 . . 1 . 1724 . . 99 ALA C . 17410 1 405 . 1 1 100 100 ALA CA C 13 52.343 0.024 . 1 . 1486 . . 99 ALA CA . 17410 1 406 . 1 1 100 100 ALA CB C 13 19.957 . . 1 . 1725 . . 99 ALA CB . 17410 1 407 . 1 1 100 100 ALA N N 15 123.180 0.079 . 1 . 1041 . . 99 ALA N . 17410 1 408 . 1 1 101 101 GLY H H 1 7.779 0.004 . 1 . 902 . . 100 GLY H . 17410 1 409 . 1 1 101 101 GLY C C 13 178.916 . . 1 . 1723 . . 100 GLY C . 17410 1 410 . 1 1 101 101 GLY CA C 13 44.801 0.003 . 1 . 1487 . . 100 GLY CA . 17410 1 411 . 1 1 101 101 GLY N N 15 106.521 0.06 . 1 . 901 . . 100 GLY N . 17410 1 412 . 1 1 102 102 ARG H H 1 8.001 0.002 . 1 . 864 . . 101 ARG H . 17410 1 413 . 1 1 102 102 ARG C C 13 172.563 . . 1 . 1727 . . 101 ARG C . 17410 1 414 . 1 1 102 102 ARG CA C 13 53.928 0.01 . 1 . 1262 . . 101 ARG CA . 17410 1 415 . 1 1 102 102 ARG CB C 13 32.980 . . 1 . 1726 . . 101 ARG CB . 17410 1 416 . 1 1 102 102 ARG N N 15 117.527 0.047 . 1 . 863 . . 101 ARG N . 17410 1 417 . 1 1 103 103 SER H H 1 9.156 0.003 . 1 . 604 . . 102 SER H . 17410 1 418 . 1 1 103 103 SER CA C 13 57.369 . . 1 . 1263 . . 102 SER CA . 17410 1 419 . 1 1 103 103 SER CB C 13 67.436 . . 1 . 1728 . . 102 SER CB . 17410 1 420 . 1 1 103 103 SER N N 15 115.614 0.058 . 1 . 603 . . 102 SER N . 17410 1 421 . 1 1 106 106 ARG C C 13 174.576 . . 1 . 1945 . . 105 ARG C . 17410 1 422 . 1 1 106 106 ARG CA C 13 52.012 . . 1 . 1296 . . 105 ARG CA . 17410 1 423 . 1 1 106 106 ARG CB C 13 29.761 . . 1 . 1944 . . 105 ARG CB . 17410 1 424 . 1 1 107 107 GLU H H 1 8.925 0.003 . 1 . 648 . . 106 GLU H . 17410 1 425 . 1 1 107 107 GLU C C 13 171.311 . . 1 . 1730 . . 106 GLU C . 17410 1 426 . 1 1 107 107 GLU CA C 13 55.264 0.08 . 1 . 1295 . . 106 GLU CA . 17410 1 427 . 1 1 107 107 GLU CB C 13 31.869 . . 1 . 1729 . . 106 GLU CB . 17410 1 428 . 1 1 107 107 GLU N N 15 126.911 0.064 . 1 . 647 . . 106 GLU N . 17410 1 429 . 1 1 108 108 SER H H 1 9.425 0.004 . 1 . 586 . . 107 SER H . 17410 1 430 . 1 1 108 108 SER C C 13 175.563 . . 1 . 1731 . . 107 SER C . 17410 1 431 . 1 1 108 108 SER CA C 13 57.583 0.018 . 1 . 1252 . . 107 SER CA . 17410 1 432 . 1 1 108 108 SER CB C 13 66.590 . . 1 . 1732 . . 107 SER CB . 17410 1 433 . 1 1 108 108 SER N N 15 119.070 0.067 . 1 . 585 . . 107 SER N . 17410 1 434 . 1 1 109 109 ARG H H 1 8.559 0.004 . 1 . 730 . . 108 ARG H . 17410 1 435 . 1 1 109 109 ARG C C 13 174.921 . . 1 . 1734 . . 108 ARG C . 17410 1 436 . 1 1 109 109 ARG CA C 13 54.357 . . 1 . 1347 . . 108 ARG CA . 17410 1 437 . 1 1 109 109 ARG CB C 13 28.370 . . 1 . 1733 . . 108 ARG CB . 17410 1 438 . 1 1 109 109 ARG N N 15 117.647 0.054 . 1 . 729 . . 108 ARG N . 17410 1 439 . 1 1 111 111 VAL C C 13 175.666 . . 1 . 1946 . . 110 VAL C . 17410 1 440 . 1 1 111 111 VAL CA C 13 59.417 . . 1 . 1948 . . 110 VAL CA . 17410 1 441 . 1 1 111 111 VAL CB C 13 35.531 . . 1 . 1947 . . 110 VAL CB . 17410 1 442 . 1 1 112 112 ILE H H 1 8.208 0.006 . 1 . 808 . . 111 ILE H . 17410 1 443 . 1 1 112 112 ILE C C 13 173.140 . . 1 . 1735 . . 111 ILE C . 17410 1 444 . 1 1 112 112 ILE CA C 13 59.562 . . 1 . 1403 . . 111 ILE CA . 17410 1 445 . 1 1 112 112 ILE CB C 13 38.055 . . 1 . 1736 . . 111 ILE CB . 17410 1 446 . 1 1 112 112 ILE N N 15 125.022 0.088 . 1 . 807 . . 111 ILE N . 17410 1 447 . 1 1 113 113 VAL H H 1 8.306 0.004 . 1 . 794 . . 112 VAL H . 17410 1 448 . 1 1 113 113 VAL C C 13 175.537 . . 1 . 1738 . . 112 VAL C . 17410 1 449 . 1 1 113 113 VAL CA C 13 63.637 0.002 . 1 . 1520 . . 112 VAL CA . 17410 1 450 . 1 1 113 113 VAL CB C 13 30.617 . . 1 . 1737 . . 112 VAL CB . 17410 1 451 . 1 1 113 113 VAL N N 15 129.432 0.074 . 1 . 793 . . 112 VAL N . 17410 1 452 . 1 1 114 114 LYS H H 1 7.028 0.006 . 1 . 994 . . 113 LYS H . 17410 1 453 . 1 1 114 114 LYS C C 13 175.166 . . 1 . 1739 . . 113 LYS C . 17410 1 454 . 1 1 114 114 LYS CA C 13 54.845 . . 1 . 1521 . . 113 LYS CA . 17410 1 455 . 1 1 114 114 LYS CB C 13 34.424 . . 1 . 1740 . . 113 LYS CB . 17410 1 456 . 1 1 114 114 LYS N N 15 125.389 0.047 . 1 . 993 . . 113 LYS N . 17410 1 457 . 1 1 115 115 GLU H H 1 8.813 0.003 . 1 . 674 . . 114 GLU H . 17410 1 458 . 1 1 115 115 GLU C C 13 172.803 . . 1 . 1742 . . 114 GLU C . 17410 1 459 . 1 1 115 115 GLU CA C 13 56.430 0.006 . 1 . 1297 . . 114 GLU CA . 17410 1 460 . 1 1 115 115 GLU CB C 13 29.984 . . 1 . 1741 . . 114 GLU CB . 17410 1 461 . 1 1 115 115 GLU N N 15 121.251 0.121 . 1 . 673 . . 114 GLU N . 17410 1 462 . 1 1 116 116 GLN H H 1 8.898 0.008 . 1 . 650 . . 115 GLN H . 17410 1 463 . 1 1 116 116 GLN C C 13 173.644 . . 1 . 1744 . . 115 GLN C . 17410 1 464 . 1 1 116 116 GLN CA C 13 54.447 0.023 . 1 . 1454 . . 115 GLN CA . 17410 1 465 . 1 1 116 116 GLN CB C 13 29.953 . . 1 . 1743 . . 115 GLN CB . 17410 1 466 . 1 1 116 116 GLN N N 15 125.015 0.105 . 1 . 649 . . 115 GLN N . 17410 1 467 . 1 1 117 117 THR H H 1 8.010 0.002 . 1 . 866 . . 116 THR H . 17410 1 468 . 1 1 117 117 THR C C 13 175.377 . . 1 . 1745 . . 116 THR C . 17410 1 469 . 1 1 117 117 THR CA C 13 60.093 0.071 . 1 . 1245 . . 116 THR CA . 17410 1 470 . 1 1 117 117 THR CB C 13 70.461 . . 1 . 1746 . . 116 THR CB . 17410 1 471 . 1 1 117 117 THR N N 15 112.745 0.091 . 1 . 865 . . 116 THR N . 17410 1 472 . 1 1 118 118 MET H H 1 9.776 0.006 . 1 . 576 . . 117 MET H . 17410 1 473 . 1 1 118 118 MET C C 13 174.622 . . 1 . 1748 . . 117 MET C . 17410 1 474 . 1 1 118 118 MET CA C 13 55.224 0.02 . 1 . 1246 . . 117 MET CA . 17410 1 475 . 1 1 118 118 MET CB C 13 36.773 . . 1 . 1747 . . 117 MET CB . 17410 1 476 . 1 1 118 118 MET N N 15 120.824 0.103 . 1 . 575 . . 117 MET N . 17410 1 477 . 1 1 119 119 LEU H H 1 8.666 0.006 . 1 . 708 . . 118 LEU H . 17410 1 478 . 1 1 119 119 LEU C C 13 176.239 . . 1 . 1749 . . 118 LEU C . 17410 1 479 . 1 1 119 119 LEU CA C 13 53.360 . . 1 . 1336 . . 118 LEU CA . 17410 1 480 . 1 1 119 119 LEU CB C 13 42.262 . . 1 . 1750 . . 118 LEU CB . 17410 1 481 . 1 1 119 119 LEU N N 15 129.745 0.056 . 1 . 707 . . 118 LEU N . 17410 1 482 . 1 1 120 120 PRO C C 13 175.475 . . 1 . 1949 . . 119 PRO C . 17410 1 483 . 1 1 120 120 PRO CA C 13 61.912 . . 1 . 1472 . . 119 PRO CA . 17410 1 484 . 1 1 120 120 PRO CB C 13 32.256 . . 1 . 1950 . . 119 PRO CB . 17410 1 485 . 1 1 121 121 GLU H H 1 7.887 0.003 . 1 . 886 . . 120 GLU H . 17410 1 486 . 1 1 121 121 GLU C C 13 175.090 . . 1 . 1752 . . 120 GLU C . 17410 1 487 . 1 1 121 121 GLU CA C 13 54.683 . . 1 . 1473 . . 120 GLU CA . 17410 1 488 . 1 1 121 121 GLU CB C 13 33.553 . . 1 . 1751 . . 120 GLU CB . 17410 1 489 . 1 1 121 121 GLU N N 15 116.295 0.052 . 1 . 885 . . 120 GLU N . 17410 1 490 . 1 1 122 122 LEU H H 1 8.475 0.004 . 1 . 748 . . 121 LEU H . 17410 1 491 . 1 1 122 122 LEU C C 13 173.733 . . 1 . 1753 . . 121 LEU C . 17410 1 492 . 1 1 122 122 LEU CA C 13 52.360 . . 1 . 1565 . . 121 LEU CA . 17410 1 493 . 1 1 122 122 LEU CB C 13 43.764 . . 1 . 1754 . . 121 LEU CB . 17410 1 494 . 1 1 122 122 LEU N N 15 122.931 0.049 . 1 . 747 . . 121 LEU N . 17410 1 495 . 1 1 123 123 ASP H H 1 7.756 0.008 . 1 . 904 . . 122 ASP H . 17410 1 496 . 1 1 123 123 ASP C C 13 174.019 . . 1 . 1756 . . 122 ASP C . 17410 1 497 . 1 1 123 123 ASP CA C 13 52.318 0.046 . 1 . 1312 . . 122 ASP CA . 17410 1 498 . 1 1 123 123 ASP CB C 13 41.274 . . 1 . 1755 . . 122 ASP CB . 17410 1 499 . 1 1 123 123 ASP N N 15 120.229 0.047 . 1 . 903 . . 122 ASP N . 17410 1 500 . 1 1 124 124 LEU H H 1 8.794 0.003 . 1 . 678 . . 123 LEU H . 17410 1 501 . 1 1 124 124 LEU C C 13 174.853 . . 1 . 1757 . . 123 LEU C . 17410 1 502 . 1 1 124 124 LEU CA C 13 54.598 0.02 . 1 . 1425 . . 123 LEU CA . 17410 1 503 . 1 1 124 124 LEU CB C 13 40.839 . . 1 . 1758 . . 123 LEU CB . 17410 1 504 . 1 1 124 124 LEU N N 15 127.721 0.072 . 1 . 677 . . 123 LEU N . 17410 1 505 . 1 1 125 125 ARG H H 1 8.178 0.003 . 1 . 826 . . 124 ARG H . 17410 1 506 . 1 1 125 125 ARG C C 13 171.306 . . 1 . 1760 . . 124 ARG C . 17410 1 507 . 1 1 125 125 ARG CA C 13 59.117 . . 1 . 1563 . . 124 ARG CA . 17410 1 508 . 1 1 125 125 ARG CB C 13 29.979 . . 1 . 1759 . . 124 ARG CB . 17410 1 509 . 1 1 125 125 ARG N N 15 119.037 0.056 . 1 . 825 . . 124 ARG N . 17410 1 510 . 1 1 126 126 GLY H H 1 8.892 0.008 . 1 . 654 . . 125 GLY H . 17410 1 511 . 1 1 126 126 GLY C C 13 175.925 . . 1 . 1761 . . 125 GLY C . 17410 1 512 . 1 1 126 126 GLY CA C 13 44.522 0.018 . 1 . 1488 . . 125 GLY CA . 17410 1 513 . 1 1 126 126 GLY N N 15 105.386 0.193 . 1 . 653 . . 125 GLY N . 17410 1 514 . 1 1 127 127 ILE H H 1 7.714 0.003 . 1 . 908 . . 126 ILE H . 17410 1 515 . 1 1 127 127 ILE C C 13 173.921 . . 1 . 1762 . . 126 ILE C . 17410 1 516 . 1 1 127 127 ILE CA C 13 59.025 0.051 . 1 . 1562 . . 126 ILE CA . 17410 1 517 . 1 1 127 127 ILE CB C 13 36.764 . . 1 . 1763 . . 126 ILE CB . 17410 1 518 . 1 1 127 127 ILE N N 15 122.354 0.056 . 1 . 907 . . 126 ILE N . 17410 1 519 . 1 1 128 128 TYR C C 13 173.205 . . 1 . 1916 . . 127 TYR C . 17410 1 520 . 1 1 128 128 TYR CA C 13 54.838 . . 1 . 1484 . . 127 TYR CA . 17410 1 521 . 1 1 128 128 TYR CB C 13 42.059 . . 1 . 1913 . . 127 TYR CB . 17410 1 522 . 1 1 129 129 GLN H H 1 7.766 0.005 . 1 . 900 . . 128 GLN H . 17410 1 523 . 1 1 129 129 GLN C C 13 174.748 . . 1 . 1917 . . 128 GLN C . 17410 1 524 . 1 1 129 129 GLN CA C 13 58.498 . . 1 . 1483 . . 128 GLN CA . 17410 1 525 . 1 1 129 129 GLN CB C 13 33.956 . . 1 . 1915 . . 128 GLN CB . 17410 1 526 . 1 1 129 129 GLN N N 15 119.042 0.08 . 1 . 899 . . 128 GLN N . 17410 1 527 . 1 1 130 130 LYS H H 1 8.521 0.003 . 1 . 738 . . 129 LYS H . 17410 1 528 . 1 1 130 130 LYS CA C 13 58.207 0.032 . 1 . 1508 . . 129 LYS CA . 17410 1 529 . 1 1 130 130 LYS CB C 13 30.108 . . 1 . 1764 . . 129 LYS CB . 17410 1 530 . 1 1 130 130 LYS N N 15 111.932 0.122 . 1 . 737 . . 129 LYS N . 17410 1 531 . 1 1 131 131 LEU H H 1 7.346 0.003 . 1 . 954 . . 130 LEU H . 17410 1 532 . 1 1 131 131 LEU C C 13 174.399 . . 1 . 1765 . . 130 LEU C . 17410 1 533 . 1 1 131 131 LEU CA C 13 53.459 0.007 . 1 . 1269 . . 130 LEU CA . 17410 1 534 . 1 1 131 131 LEU CB C 13 45.133 . . 1 . 1766 . . 130 LEU CB . 17410 1 535 . 1 1 131 131 LEU N N 15 122.117 0.116 . 1 . 953 . . 130 LEU N . 17410 1 536 . 1 1 132 132 VAL H H 1 9.103 0.005 . 1 . 612 . . 131 VAL H . 17410 1 537 . 1 1 132 132 VAL C C 13 175.938 . . 1 . 1768 . . 131 VAL C . 17410 1 538 . 1 1 132 132 VAL CA C 13 61.164 0.025 . 1 . 1352 . . 131 VAL CA . 17410 1 539 . 1 1 132 132 VAL CB C 13 33.675 . . 1 . 1767 . . 131 VAL CB . 17410 1 540 . 1 1 132 132 VAL N N 15 128.091 0.056 . 1 . 611 . . 131 VAL N . 17410 1 541 . 1 1 133 133 ILE H H 1 8.521 0.003 . 1 . 736 . . 132 ILE H . 17410 1 542 . 1 1 133 133 ILE C C 13 173.983 . . 1 . 1769 . . 132 ILE C . 17410 1 543 . 1 1 133 133 ILE CA C 13 59.535 0.028 . 1 . 1328 . . 132 ILE CA . 17410 1 544 . 1 1 133 133 ILE CB C 13 38.666 . . 1 . 1770 . . 132 ILE CB . 17410 1 545 . 1 1 133 133 ILE N N 15 127.439 0.056 . 1 . 735 . . 132 ILE N . 17410 1 546 . 1 1 134 134 ALA H H 1 8.708 0.002 . 1 . 696 . . 133 ALA H . 17410 1 547 . 1 1 134 134 ALA C C 13 174.819 . . 1 . 1772 . . 133 ALA C . 17410 1 548 . 1 1 134 134 ALA CA C 13 49.932 0.013 . 1 . 1381 . . 133 ALA CA . 17410 1 549 . 1 1 134 134 ALA CB C 13 24.488 . . 1 . 1771 . . 133 ALA CB . 17410 1 550 . 1 1 134 134 ALA N N 15 130.230 0.134 . 1 . 695 . . 133 ALA N . 17410 1 551 . 1 1 135 135 LYS H H 1 8.355 0.003 . 1 . 778 . . 134 LYS H . 17410 1 552 . 1 1 135 135 LYS C C 13 174.250 . . 1 . 1774 . . 134 LYS C . 17410 1 553 . 1 1 135 135 LYS CA C 13 53.792 0.002 . 1 . 1543 . . 134 LYS CA . 17410 1 554 . 1 1 135 135 LYS CB C 13 33.335 . . 1 . 1775 . . 134 LYS CB . 17410 1 555 . 1 1 135 135 LYS N N 15 121.212 0.053 . 1 . 777 . . 134 LYS N . 17410 1 556 . 1 1 136 136 ALA H H 1 8.147 0.002 . 1 . 1534 . . 135 ALA H . 17410 1 557 . 1 1 136 136 ALA C C 13 171.465 . . 1 . 1773 . . 135 ALA C . 17410 1 558 . 1 1 136 136 ALA CA C 13 53.278 0.075 . 1 . 1431 . . 135 ALA CA . 17410 1 559 . 1 1 136 136 ALA CB C 13 17.260 . . 1 . 1776 . . 135 ALA CB . 17410 1 560 . 1 1 136 136 ALA N N 15 125.124 0.063 . 1 . 1535 . . 135 ALA N . 17410 1 561 . 1 1 137 137 GLY H H 1 9.440 0.004 . 1 . 582 . . 136 GLY H . 17410 1 562 . 1 1 137 137 GLY C C 13 174.773 . . 1 . 1777 . . 136 GLY C . 17410 1 563 . 1 1 137 137 GLY CA C 13 44.558 0.029 . 1 . 1249 . . 136 GLY CA . 17410 1 564 . 1 1 137 137 GLY N N 15 115.045 0.099 . 1 . 581 . . 136 GLY N . 17410 1 565 . 1 1 138 138 ASP H H 1 8.302 0.005 . 1 . 796 . . 137 ASP H . 17410 1 566 . 1 1 138 138 ASP C C 13 173.890 . . 1 . 1778 . . 137 ASP C . 17410 1 567 . 1 1 138 138 ASP CA C 13 54.121 . . 1 . 1779 . . 137 ASP CA . 17410 1 568 . 1 1 138 138 ASP CB C 13 40.964 . . 1 . 1780 . . 137 ASP CB . 17410 1 569 . 1 1 138 138 ASP N N 15 122.059 0.103 . 1 . 795 . . 137 ASP N . 17410 1 570 . 1 1 139 139 ASN H H 1 8.700 0.005 . 1 . 700 . . 138 ASN H . 17410 1 571 . 1 1 139 139 ASN C C 13 174.366 . . 1 . 1782 . . 138 ASN C . 17410 1 572 . 1 1 139 139 ASN CA C 13 51.668 0.015 . 1 . 1280 . . 138 ASN CA . 17410 1 573 . 1 1 139 139 ASN CB C 13 38.030 . . 1 . 1781 . . 138 ASN CB . 17410 1 574 . 1 1 139 139 ASN N N 15 118.001 0.044 . 1 . 699 . . 138 ASN N . 17410 1 575 . 1 1 140 140 ILE H H 1 9.003 0.002 . 1 . 624 . . 139 ILE H . 17410 1 576 . 1 1 140 140 ILE CA C 13 60.971 . . 1 . 1784 . . 139 ILE CA . 17410 1 577 . 1 1 140 140 ILE CB C 13 38.662 . . 1 . 1783 . . 139 ILE CB . 17410 1 578 . 1 1 140 140 ILE N N 15 126.171 0.133 . 1 . 623 . . 139 ILE N . 17410 1 579 . 1 1 141 141 LYS H H 1 8.475 0.005 . 1 . 746 . . 140 LYS H . 17410 1 580 . 1 1 141 141 LYS C C 13 174.344 . . 1 . 1786 . . 140 LYS C . 17410 1 581 . 1 1 141 141 LYS CA C 13 55.256 0.032 . 1 . 1265 . . 140 LYS CA . 17410 1 582 . 1 1 141 141 LYS CB C 13 34.453 . . 1 . 1785 . . 140 LYS CB . 17410 1 583 . 1 1 141 141 LYS N N 15 130.774 0.079 . 1 . 745 . . 140 LYS N . 17410 1 584 . 1 1 142 142 VAL H H 1 9.109 0.003 . 1 . 608 . . 141 VAL H . 17410 1 585 . 1 1 142 142 VAL C C 13 176.162 . . 1 . 1787 . . 141 VAL C . 17410 1 586 . 1 1 142 142 VAL CA C 13 60.866 0.186 . 1 . 1395 . . 141 VAL CA . 17410 1 587 . 1 1 142 142 VAL CB C 13 33.515 . . 1 . 1788 . . 141 VAL CB . 17410 1 588 . 1 1 142 142 VAL N N 15 128.508 0.18 . 1 . 607 . . 141 VAL N . 17410 1 589 . 1 1 143 143 GLU H H 1 8.714 0.006 . 1 . 692 . . 142 GLU H . 17410 1 590 . 1 1 143 143 GLU C C 13 174.836 . . 1 . 1790 . . 142 GLU C . 17410 1 591 . 1 1 143 143 GLU CA C 13 54.185 . . 1 . 1325 . . 142 GLU CA . 17410 1 592 . 1 1 143 143 GLU CB C 13 30.622 . . 1 . 1789 . . 142 GLU CB . 17410 1 593 . 1 1 143 143 GLU N N 15 127.671 0.064 . 1 . 691 . . 142 GLU N . 17410 1 594 . 1 1 144 144 ILE H H 1 9.264 0.007 . 1 . 594 . . 143 ILE H . 17410 1 595 . 1 1 144 144 ILE C C 13 176.146 . . 1 . 1791 . . 143 ILE C . 17410 1 596 . 1 1 144 144 ILE CA C 13 56.909 . . 1 . 1256 . . 143 ILE CA . 17410 1 597 . 1 1 144 144 ILE CB C 13 41.408 . . 1 . 1792 . . 143 ILE CB . 17410 1 598 . 1 1 144 144 ILE N N 15 128.572 0.072 . 1 . 593 . . 143 ILE N . 17410 1 599 . 1 1 145 145 PRO CA C 13 62.570 . . 1 . 1437 . . 144 PRO CA . 17410 1 600 . 1 1 145 145 PRO CB C 13 32.528 . . 1 . 1951 . . 144 PRO CB . 17410 1 601 . 1 1 146 146 VAL H H 1 8.128 0.004 . 1 . 842 . . 145 VAL H . 17410 1 602 . 1 1 146 146 VAL CA C 13 59.990 0.014 . 1 . 1324 . . 145 VAL CA . 17410 1 603 . 1 1 146 146 VAL CB C 13 34.398 . . 1 . 1793 . . 145 VAL CB . 17410 1 604 . 1 1 146 146 VAL N N 15 122.583 0.078 . 1 . 841 . . 145 VAL N . 17410 1 605 . 1 1 147 147 LEU H H 1 8.692 0.003 . 1 . 704 . . 146 LEU H . 17410 1 606 . 1 1 147 147 LEU C C 13 173.293 . . 1 . 1794 . . 146 LEU C . 17410 1 607 . 1 1 147 147 LEU CA C 13 53.022 0.01 . 1 . 1429 . . 146 LEU CA . 17410 1 608 . 1 1 147 147 LEU CB C 13 44.210 . . 1 . 1795 . . 146 LEU CB . 17410 1 609 . 1 1 147 147 LEU N N 15 128.019 0.055 . 1 . 703 . . 146 LEU N . 17410 1 610 . 1 1 148 148 GLY H H 1 8.183 0.01 . 1 . 830 . . 147 GLY H . 17410 1 611 . 1 1 148 148 GLY C C 13 177.999 . . 1 . 1796 . . 147 GLY C . 17410 1 612 . 1 1 148 148 GLY CA C 13 44.418 0.002 . 1 . 1468 . . 147 GLY CA . 17410 1 613 . 1 1 148 148 GLY N N 15 105.920 0.092 . 1 . 829 . . 147 GLY N . 17410 1 614 . 1 1 149 149 ARG H H 1 7.962 0.003 . 1 . 876 . . 148 ARG H . 17410 1 615 . 1 1 149 149 ARG CA C 13 53.632 . . 1 . 1467 . . 148 ARG CA . 17410 1 616 . 1 1 149 149 ARG CB C 13 33.600 . . 1 . 1797 . . 148 ARG CB . 17410 1 617 . 1 1 149 149 ARG N N 15 121.552 0.072 . 1 . 875 . . 148 ARG N . 17410 1 618 . 1 1 152 152 PRO C C 13 173.377 . . 1 . 1954 . . 151 PRO C . 17410 1 619 . 1 1 152 152 PRO CA C 13 62.034 . . 1 . 1952 . . 151 PRO CA . 17410 1 620 . 1 1 152 152 PRO CB C 13 33.064 . . 1 . 1953 . . 151 PRO CB . 17410 1 621 . 1 1 153 153 THR H H 1 8.962 0.002 . 1 . 638 . . 152 THR H . 17410 1 622 . 1 1 153 153 THR C C 13 174.357 . . 1 . 1799 . . 152 THR C . 17410 1 623 . 1 1 153 153 THR CA C 13 61.530 0.144 . 1 . 1505 . . 152 THR CA . 17410 1 624 . 1 1 153 153 THR CB C 13 69.978 . . 1 . 1798 . . 152 THR CB . 17410 1 625 . 1 1 153 153 THR N N 15 116.411 0.096 . 1 . 637 . . 152 THR N . 17410 1 626 . 1 1 154 154 VAL H H 1 8.979 0.009 . 1 . 632 . . 153 VAL H . 17410 1 627 . 1 1 154 154 VAL C C 13 173.902 . . 1 . 1800 . . 153 VAL C . 17410 1 628 . 1 1 154 154 VAL CA C 13 60.514 0.008 . 1 . 1288 . . 153 VAL CA . 17410 1 629 . 1 1 154 154 VAL CB C 13 33.239 . . 1 . 1801 . . 153 VAL CB . 17410 1 630 . 1 1 154 154 VAL N N 15 128.771 0.132 . 1 . 631 . . 153 VAL N . 17410 1 631 . 1 1 155 155 THR H H 1 8.572 0.005 . 1 . 726 . . 154 THR H . 17410 1 632 . 1 1 155 155 THR C C 13 176.441 . . 1 . 1804 . . 154 THR C . 17410 1 633 . 1 1 155 155 THR CA C 13 61.262 . . 1 . 1803 . . 154 THR CA . 17410 1 634 . 1 1 155 155 THR CB C 13 67.418 . . 1 . 1802 . . 154 THR CB . 17410 1 635 . 1 1 155 155 THR N N 15 122.021 0.05 . 1 . 725 . . 154 THR N . 17410 1 636 . 1 1 156 156 TRP H H 1 7.444 0.006 . 1 . 944 . . 155 TRP H . 17410 1 637 . 1 1 156 156 TRP C C 13 173.787 . . 1 . 1805 . . 155 TRP C . 17410 1 638 . 1 1 156 156 TRP CA C 13 56.598 0.013 . 1 . 1268 . . 155 TRP CA . 17410 1 639 . 1 1 156 156 TRP CB C 13 32.537 . . 1 . 1806 . . 155 TRP CB . 17410 1 640 . 1 1 156 156 TRP N N 15 125.464 0.057 . 1 . 943 . . 155 TRP N . 17410 1 641 . 1 1 157 157 LYS H H 1 9.103 0.004 . 1 . 610 . . 156 LYS H . 17410 1 642 . 1 1 157 157 LYS C C 13 175.992 . . 1 . 1808 . . 156 LYS C . 17410 1 643 . 1 1 157 157 LYS CA C 13 54.909 0.027 . 1 . 1436 . . 156 LYS CA . 17410 1 644 . 1 1 157 157 LYS CB C 13 36.421 . . 1 . 1807 . . 156 LYS CB . 17410 1 645 . 1 1 157 157 LYS N N 15 122.679 0.092 . 1 . 609 . . 156 LYS N . 17410 1 646 . 1 1 158 158 LYS H H 1 8.149 0.004 . 1 . 840 . . 157 LYS H . 17410 1 647 . 1 1 158 158 LYS C C 13 171.414 . . 1 . 1809 . . 157 LYS C . 17410 1 648 . 1 1 158 158 LYS CA C 13 55.140 . . 1 . 1810 . . 157 LYS CA . 17410 1 649 . 1 1 158 158 LYS CB C 13 34.816 . . 1 . 1811 . . 157 LYS CB . 17410 1 650 . 1 1 158 158 LYS N N 15 116.705 0.049 . 1 . 839 . . 157 LYS N . 17410 1 651 . 1 1 159 159 GLY H H 1 8.598 0.002 . 1 . 724 . . 158 GLY H . 17410 1 652 . 1 1 159 159 GLY C C 13 176.334 . . 1 . 1812 . . 158 GLY C . 17410 1 653 . 1 1 159 159 GLY CA C 13 47.022 0.004 . 1 . 1365 . . 158 GLY CA . 17410 1 654 . 1 1 159 159 GLY N N 15 118.316 0.095 . 1 . 723 . . 158 GLY N . 17410 1 655 . 1 1 160 160 ASP H H 1 8.446 0.002 . 1 . 756 . . 159 ASP H . 17410 1 656 . 1 1 160 160 ASP C C 13 173.249 . . 1 . 1814 . . 159 ASP C . 17410 1 657 . 1 1 160 160 ASP CA C 13 53.244 0.014 . 1 . 1364 . . 159 ASP CA . 17410 1 658 . 1 1 160 160 ASP CB C 13 41.392 . . 1 . 1815 . . 159 ASP CB . 17410 1 659 . 1 1 160 160 ASP N N 15 124.668 0.048 . 1 . 755 . . 159 ASP N . 17410 1 660 . 1 1 161 161 GLN H H 1 7.881 0.002 . 1 . 884 . . 160 GLN H . 17410 1 661 . 1 1 161 161 GLN C C 13 174.341 . . 1 . 1813 . . 160 GLN C . 17410 1 662 . 1 1 161 161 GLN CA C 13 53.659 0.015 . 1 . 1469 . . 160 GLN CA . 17410 1 663 . 1 1 161 161 GLN CB C 13 31.360 . . 1 . 1816 . . 160 GLN CB . 17410 1 664 . 1 1 161 161 GLN N N 15 119.193 0.056 . 1 . 883 . . 160 GLN N . 17410 1 665 . 1 1 162 162 ILE H H 1 8.511 0.003 . 1 . 742 . . 161 ILE H . 17410 1 666 . 1 1 162 162 ILE C C 13 173.068 . . 1 . 1924 . . 161 ILE C . 17410 1 667 . 1 1 162 162 ILE CA C 13 61.902 . . 1 . 1400 . . 161 ILE CA . 17410 1 668 . 1 1 162 162 ILE CB C 13 37.523 . . 1 . 1925 . . 161 ILE CB . 17410 1 669 . 1 1 162 162 ILE N N 15 123.324 0.069 . 1 . 741 . . 161 ILE N . 17410 1 670 . 1 1 163 163 LEU H H 1 8.210 0.003 . 1 . 804 . . 162 LEU H . 17410 1 671 . 1 1 163 163 LEU C C 13 173.542 . . 1 . 1818 . . 162 LEU C . 17410 1 672 . 1 1 163 163 LEU CA C 13 55.033 . . 1 . 1401 . . 162 LEU CA . 17410 1 673 . 1 1 163 163 LEU CB C 13 42.931 . . 1 . 1817 . . 162 LEU CB . 17410 1 674 . 1 1 163 163 LEU N N 15 129.821 0.039 . 1 . 803 . . 162 LEU N . 17410 1 675 . 1 1 164 164 LYS H H 1 8.434 0.006 . 1 . 754 . . 163 LYS H . 17410 1 676 . 1 1 164 164 LYS C C 13 173.739 . . 1 . 1819 . . 163 LYS C . 17410 1 677 . 1 1 164 164 LYS CA C 13 54.917 . . 1 . 1568 . . 163 LYS CA . 17410 1 678 . 1 1 164 164 LYS CB C 13 32.898 . . 1 . 1820 . . 163 LYS CB . 17410 1 679 . 1 1 164 164 LYS N N 15 127.079 0.053 . 1 . 753 . . 163 LYS N . 17410 1 680 . 1 1 165 165 GLN H H 1 8.418 0.002 . 1 . 764 . . 164 GLN H . 17410 1 681 . 1 1 165 165 GLN C C 13 172.439 . . 1 . 1822 . . 164 GLN C . 17410 1 682 . 1 1 165 165 GLN CA C 13 56.216 0.036 . 1 . 1286 . . 164 GLN CA . 17410 1 683 . 1 1 165 165 GLN CB C 13 28.860 . . 1 . 1821 . . 164 GLN CB . 17410 1 684 . 1 1 165 165 GLN N N 15 120.657 0.056 . 1 . 763 . . 164 GLN N . 17410 1 685 . 1 1 166 166 THR H H 1 9.001 0.006 . 1 . 628 . . 165 THR H . 17410 1 686 . 1 1 166 166 THR C C 13 175.065 . . 1 . 1823 . . 165 THR C . 17410 1 687 . 1 1 166 166 THR CA C 13 59.277 0.006 . 1 . 1285 . . 165 THR CA . 17410 1 688 . 1 1 166 166 THR CB C 13 73.631 . . 1 . 1824 . . 165 THR CB . 17410 1 689 . 1 1 166 166 THR N N 15 116.069 0.046 . 1 . 627 . . 165 THR N . 17410 1 690 . 1 1 167 167 GLN H H 1 8.672 0.002 . 1 . 710 . . 166 GLN H . 17410 1 691 . 1 1 167 167 GLN C C 13 172.619 . . 1 . 1826 . . 166 GLN C . 17410 1 692 . 1 1 167 167 GLN CA C 13 58.328 0.158 . 1 . 1513 . . 166 GLN CA . 17410 1 693 . 1 1 167 167 GLN CB C 13 28.287 . . 1 . 1825 . . 166 GLN CB . 17410 1 694 . 1 1 167 167 GLN N N 15 119.067 0.079 . 1 . 709 . . 166 GLN N . 17410 1 695 . 1 1 168 168 ARG H H 1 8.091 0.009 . 1 . 852 . . 167 ARG H . 17410 1 696 . 1 1 168 168 ARG C C 13 174.439 . . 1 . 1827 . . 167 ARG C . 17410 1 697 . 1 1 168 168 ARG CA C 13 58.171 . . 1 . 1828 . . 167 ARG CA . 17410 1 698 . 1 1 168 168 ARG CB C 13 32.316 . . 1 . 1829 . . 167 ARG CB . 17410 1 699 . 1 1 168 168 ARG N N 15 117.596 0.141 . 1 . 851 . . 167 ARG N . 17410 1 700 . 1 1 169 169 VAL H H 1 7.199 0.004 . 1 . 972 . . 168 VAL H . 17410 1 701 . 1 1 169 169 VAL C C 13 175.112 . . 1 . 1831 . . 168 VAL C . 17410 1 702 . 1 1 169 169 VAL CA C 13 60.232 0.013 . 1 . 1290 . . 168 VAL CA . 17410 1 703 . 1 1 169 169 VAL CB C 13 33.806 . . 1 . 1830 . . 168 VAL CB . 17410 1 704 . 1 1 169 169 VAL N N 15 118.276 0.115 . 1 . 971 . . 168 VAL N . 17410 1 705 . 1 1 170 170 ASN H H 1 8.965 0.006 . 1 . 636 . . 169 ASN H . 17410 1 706 . 1 1 170 170 ASN C C 13 177.559 . . 1 . 1832 . . 169 ASN C . 17410 1 707 . 1 1 170 170 ASN CA C 13 51.939 0.008 . 1 . 1349 . . 169 ASN CA . 17410 1 708 . 1 1 170 170 ASN CB C 13 41.420 . . 1 . 1833 . . 169 ASN CB . 17410 1 709 . 1 1 170 170 ASN N N 15 121.124 0.135 . 1 . 635 . . 169 ASN N . 17410 1 710 . 1 1 171 171 PHE H H 1 8.559 0.005 . 1 . 732 . . 170 PHE H . 17410 1 711 . 1 1 171 171 PHE C C 13 174.428 . . 1 . 1835 . . 170 PHE C . 17410 1 712 . 1 1 171 171 PHE CA C 13 54.382 . . 1 . 1348 . . 170 PHE CA . 17410 1 713 . 1 1 171 171 PHE CB C 13 42.496 . . 1 . 1834 . . 170 PHE CB . 17410 1 714 . 1 1 171 171 PHE N N 15 115.029 0.119 . 1 . 731 . . 170 PHE N . 17410 1 715 . 1 1 172 172 GLU H H 1 9.430 0.006 . 1 . 584 . . 171 GLU H . 17410 1 716 . 1 1 172 172 GLU C C 13 174.061 . . 1 . 1836 . . 171 GLU C . 17410 1 717 . 1 1 172 172 GLU CA C 13 54.023 0.053 . 1 . 1293 . . 171 GLU CA . 17410 1 718 . 1 1 172 172 GLU CB C 13 34.447 . . 1 . 1837 . . 171 GLU CB . 17410 1 719 . 1 1 172 172 GLU N N 15 120.406 0.129 . 1 . 583 . . 171 GLU N . 17410 1 720 . 1 1 173 173 THR H H 1 8.943 0.004 . 1 . 642 . . 172 THR H . 17410 1 721 . 1 1 173 173 THR C C 13 174.896 . . 1 . 1839 . . 172 THR C . 17410 1 722 . 1 1 173 173 THR CA C 13 61.705 0.023 . 1 . 1066 . . 172 THR CA . 17410 1 723 . 1 1 173 173 THR CB C 13 70.408 . . 1 . 1838 . . 172 THR CB . 17410 1 724 . 1 1 173 173 THR N N 15 119.262 0.048 . 1 . 641 . . 172 THR N . 17410 1 725 . 1 1 174 174 THR H H 1 9.018 0.003 . 1 . 622 . . 173 THR H . 17410 1 726 . 1 1 174 174 THR C C 13 175.011 . . 1 . 1840 . . 173 THR C . 17410 1 727 . 1 1 174 174 THR CA C 13 59.532 . . 1 . 1279 . . 173 THR CA . 17410 1 728 . 1 1 174 174 THR CB C 13 70.371 . . 1 . 1842 . . 173 THR CB . 17410 1 729 . 1 1 174 174 THR N N 15 119.499 0.088 . 1 . 621 . . 173 THR N . 17410 1 730 . 1 1 175 175 ALA H H 1 8.700 0.004 . 1 . 1544 . . 174 ALA H . 17410 1 731 . 1 1 175 175 ALA C C 13 170.199 . . 1 . 1843 . . 174 ALA C . 17410 1 732 . 1 1 175 175 ALA CA C 13 54.727 . . 1 . 1569 . . 174 ALA CA . 17410 1 733 . 1 1 175 175 ALA CB C 13 19.138 . . 1 . 1841 . . 174 ALA CB . 17410 1 734 . 1 1 175 175 ALA N N 15 119.729 0.083 . 1 . 1545 . . 174 ALA N . 17410 1 735 . 1 1 176 176 THR H H 1 7.962 0.005 . 1 . 878 . . 175 THR H . 17410 1 736 . 1 1 176 176 THR C C 13 174.317 . . 1 . 1844 . . 175 THR C . 17410 1 737 . 1 1 176 176 THR CA C 13 60.615 0.106 . 1 . 1470 . . 175 THR CA . 17410 1 738 . 1 1 176 176 THR CB C 13 71.303 . . 1 . 1845 . . 175 THR CB . 17410 1 739 . 1 1 176 176 THR N N 15 102.599 0.032 . 1 . 877 . . 175 THR N . 17410 1 740 . 1 1 177 177 SER H H 1 7.849 0.003 . 1 . 894 . . 176 SER H . 17410 1 741 . 1 1 177 177 SER C C 13 176.938 . . 1 . 1847 . . 176 SER C . 17410 1 742 . 1 1 177 177 SER CA C 13 57.122 0.045 . 1 . 1471 . . 176 SER CA . 17410 1 743 . 1 1 177 177 SER CB C 13 66.611 . . 1 . 1846 . . 176 SER CB . 17410 1 744 . 1 1 177 177 SER N N 15 116.779 0.109 . 1 . 893 . . 176 SER N . 17410 1 745 . 1 1 178 178 THR H H 1 8.712 0.008 . 1 . 702 . . 177 THR H . 17410 1 746 . 1 1 178 178 THR C C 13 178.250 . . 1 . 1848 . . 177 THR C . 17410 1 747 . 1 1 178 178 THR CA C 13 59.361 0.06 . 1 . 1331 . . 177 THR CA . 17410 1 748 . 1 1 178 178 THR CB C 13 70.566 . . 1 . 1849 . . 177 THR CB . 17410 1 749 . 1 1 178 178 THR N N 15 115.456 0.101 . 1 . 701 . . 177 THR N . 17410 1 750 . 1 1 179 179 ILE C C 13 178.143 . . 1 . 1955 . . 178 ILE C . 17410 1 751 . 1 1 179 179 ILE CA C 13 59.470 . . 1 . 1957 . . 178 ILE CA . 17410 1 752 . 1 1 179 179 ILE CB C 13 41.799 . . 1 . 1956 . . 178 ILE CB . 17410 1 753 . 1 1 180 180 LEU H H 1 8.805 0.002 . 1 . 670 . . 179 LEU H . 17410 1 754 . 1 1 180 180 LEU C C 13 175.582 . . 1 . 1852 . . 179 LEU C . 17410 1 755 . 1 1 180 180 LEU CA C 13 53.195 0.025 . 1 . 1292 . . 179 LEU CA . 17410 1 756 . 1 1 180 180 LEU CB C 13 42.644 . . 1 . 1851 . . 179 LEU CB . 17410 1 757 . 1 1 180 180 LEU N N 15 128.188 0.102 . 1 . 669 . . 179 LEU N . 17410 1 758 . 1 1 181 181 ASN H H 1 8.939 0.004 . 1 . 640 . . 180 ASN H . 17410 1 759 . 1 1 181 181 ASN C C 13 175.992 . . 1 . 1853 . . 180 ASN C . 17410 1 760 . 1 1 181 181 ASN CA C 13 51.669 0.01 . 1 . 1137 . . 180 ASN CA . 17410 1 761 . 1 1 181 181 ASN CB C 13 41.720 . . 1 . 1850 . . 180 ASN CB . 17410 1 762 . 1 1 181 181 ASN N N 15 124.151 0.17 . 1 . 639 . . 180 ASN N . 17410 1 763 . 1 1 182 182 ILE H H 1 8.448 0.006 . 1 . 1136 . . 181 ILE H . 17410 1 764 . 1 1 182 182 ILE C C 13 174.603 . . 1 . 1857 . . 181 ILE C . 17410 1 765 . 1 1 182 182 ILE CA C 13 60.002 0.01 . 1 . 1138 . . 181 ILE CA . 17410 1 766 . 1 1 182 182 ILE CB C 13 40.017 . . 1 . 1856 . . 181 ILE CB . 17410 1 767 . 1 1 182 182 ILE N N 15 121.109 0.007 . 1 . 1135 . . 181 ILE N . 17410 1 768 . 1 1 183 183 ASN H H 1 8.687 0.003 . 1 . 706 . . 182 ASN H . 17410 1 769 . 1 1 183 183 ASN C C 13 175.823 . . 1 . 1858 . . 182 ASN C . 17410 1 770 . 1 1 183 183 ASN CA C 13 52.945 0.002 . 1 . 1294 . . 182 ASN CA . 17410 1 771 . 1 1 183 183 ASN CB C 13 39.655 . . 1 . 1855 . . 182 ASN CB . 17410 1 772 . 1 1 183 183 ASN N N 15 124.806 0.05 . 1 . 705 . . 182 ASN N . 17410 1 773 . 1 1 184 184 GLU H H 1 8.929 0.002 . 1 . 646 . . 183 GLU H . 17410 1 774 . 1 1 184 184 GLU CA C 13 55.625 0.065 . 1 . 1461 . . 183 GLU CA . 17410 1 775 . 1 1 184 184 GLU CB C 13 28.403 . . 1 . 1854 . . 183 GLU CB . 17410 1 776 . 1 1 184 184 GLU N N 15 118.481 0.088 . 1 . 645 . . 183 GLU N . 17410 1 777 . 1 1 185 185 CYS H H 1 7.988 0.005 . 1 . 1560 . . 184 CYS H . 17410 1 778 . 1 1 185 185 CYS C C 13 175.008 . . 1 . 1860 . . 184 CYS C . 17410 1 779 . 1 1 185 185 CYS CA C 13 58.635 0.029 . 1 . 1466 . . 184 CYS CA . 17410 1 780 . 1 1 185 185 CYS CB C 13 29.267 . . 1 . 1859 . . 184 CYS CB . 17410 1 781 . 1 1 185 185 CYS N N 15 113.869 0.101 . 1 . 1561 . . 184 CYS N . 17410 1 782 . 1 1 186 186 VAL H H 1 8.946 0.005 . 1 . 644 . . 185 VAL H . 17410 1 783 . 1 1 186 186 VAL C C 13 171.499 . . 1 . 1861 . . 185 VAL C . 17410 1 784 . 1 1 186 186 VAL CA C 13 58.414 . . 1 . 1566 . . 185 VAL CA . 17410 1 785 . 1 1 186 186 VAL CB C 13 36.345 . . 1 . 1862 . . 185 VAL CB . 17410 1 786 . 1 1 186 186 VAL N N 15 113.744 0.041 . 1 . 643 . . 185 VAL N . 17410 1 787 . 1 1 187 187 ARG H H 1 9.113 0.004 . 1 . 1045 . . 186 ARG H . 17410 1 788 . 1 1 187 187 ARG CA C 13 60.045 . . 1 . 1266 . . 186 ARG CA . 17410 1 789 . 1 1 187 187 ARG CB C 13 29.297 . . 1 . 1863 . . 186 ARG CB . 17410 1 790 . 1 1 187 187 ARG N N 15 122.780 0.073 . 1 . 1044 . . 186 ARG N . 17410 1 791 . 1 1 189 189 ASP C C 13 175.386 . . 1 . 1959 . . 188 ASP C . 17410 1 792 . 1 1 189 189 ASP CA C 13 55.838 . . 1 . 1559 . . 188 ASP CA . 17410 1 793 . 1 1 189 189 ASP CB C 13 41.281 . . 1 . 1958 . . 188 ASP CB . 17410 1 794 . 1 1 190 190 SER H H 1 8.044 0.005 . 1 . 1557 . . 189 SER H . 17410 1 795 . 1 1 190 190 SER C C 13 176.349 . . 1 . 1864 . . 189 SER C . 17410 1 796 . 1 1 190 190 SER CA C 13 59.777 0.016 . 1 . 1047 . . 189 SER CA . 17410 1 797 . 1 1 190 190 SER CB C 13 63.803 . . 1 . 1865 . . 189 SER CB . 17410 1 798 . 1 1 190 190 SER N N 15 115.471 0.01 . 1 . 1558 . . 189 SER N . 17410 1 799 . 1 1 191 191 GLY H H 1 9.424 0.004 . 1 . 588 . . 190 GLY H . 17410 1 800 . 1 1 191 191 GLY C C 13 178.805 . . 1 . 1866 . . 190 GLY C . 17410 1 801 . 1 1 191 191 GLY CA C 13 43.909 . . 1 . 1253 . . 190 GLY CA . 17410 1 802 . 1 1 191 191 GLY N N 15 111.706 0.036 . 1 . 587 . . 190 GLY N . 17410 1 803 . 1 1 192 192 PRO C C 13 171.704 . . 1 . 1912 . . 191 PRO C . 17410 1 804 . 1 1 192 192 PRO CA C 13 62.138 . . 1 . 1241 . . 191 PRO CA . 17410 1 805 . 1 1 192 192 PRO CB C 13 32.613 . . 1 . 1911 . . 191 PRO CB . 17410 1 806 . 1 1 193 193 TYR H H 1 9.870 0.004 . 1 . 572 . . 192 TYR H . 17410 1 807 . 1 1 193 193 TYR CA C 13 55.188 . . 1 . 1242 . . 192 TYR CA . 17410 1 808 . 1 1 193 193 TYR CB C 13 38.073 . . 1 . 1910 . . 192 TYR CB . 17410 1 809 . 1 1 193 193 TYR N N 15 124.953 0.054 . 1 . 571 . . 192 TYR N . 17410 1 810 . 1 1 195 195 LEU H H 1 8.498 0.004 . 1 . 744 . . 194 LEU H . 17410 1 811 . 1 1 195 195 LEU C C 13 174.130 . . 1 . 1867 . . 194 LEU C . 17410 1 812 . 1 1 195 195 LEU CA C 13 53.652 0.005 . 1 . 1358 . . 194 LEU CA . 17410 1 813 . 1 1 195 195 LEU CB C 13 42.557 . . 1 . 1868 . . 194 LEU CB . 17410 1 814 . 1 1 195 195 LEU N N 15 122.262 0.076 . 1 . 743 . . 194 LEU N . 17410 1 815 . 1 1 196 196 THR H H 1 7.997 0.01 . 1 . 872 . . 195 THR H . 17410 1 816 . 1 1 196 196 THR C C 13 176.560 . . 1 . 1870 . . 195 THR C . 17410 1 817 . 1 1 196 196 THR CA C 13 59.457 0.0 . 1 . 1270 . . 195 THR CA . 17410 1 818 . 1 1 196 196 THR CB C 13 71.992 . . 1 . 1871 . . 195 THR CB . 17410 1 819 . 1 1 196 196 THR N N 15 113.768 0.121 . 1 . 871 . . 195 THR N . 17410 1 820 . 1 1 197 197 ALA H H 1 9.065 0.003 . 1 . 614 . . 196 ALA H . 17410 1 821 . 1 1 197 197 ALA C C 13 174.479 . . 1 . 1873 . . 196 ALA C . 17410 1 822 . 1 1 197 197 ALA CA C 13 49.475 0.007 . 1 . 1340 . . 196 ALA CA . 17410 1 823 . 1 1 197 197 ALA CB C 13 22.121 . . 1 . 1872 . . 196 ALA CB . 17410 1 824 . 1 1 197 197 ALA N N 15 124.926 0.045 . 1 . 613 . . 196 ALA N . 17410 1 825 . 1 1 198 198 ARG H H 1 8.620 0.006 . 1 . 718 . . 197 ARG H . 17410 1 826 . 1 1 198 198 ARG C C 13 174.653 . . 1 . 1874 . . 197 ARG C . 17410 1 827 . 1 1 198 198 ARG CA C 13 54.337 0.01 . 1 . 1276 . . 197 ARG CA . 17410 1 828 . 1 1 198 198 ARG CB C 13 34.687 . . 1 . 1875 . . 197 ARG CB . 17410 1 829 . 1 1 198 198 ARG N N 15 121.288 0.058 . 1 . 717 . . 197 ARG N . 17410 1 830 . 1 1 199 199 ASN H H 1 9.038 0.005 . 1 . 618 . . 198 ASN H . 17410 1 831 . 1 1 199 199 ASN C C 13 173.034 . . 1 . 1877 . . 198 ASN C . 17410 1 832 . 1 1 199 199 ASN CA C 13 51.428 0.01 . 1 . 1474 . . 198 ASN CA . 17410 1 833 . 1 1 199 199 ASN CB C 13 40.702 . . 1 . 1876 . . 198 ASN CB . 17410 1 834 . 1 1 199 199 ASN N N 15 123.794 0.085 . 1 . 617 . . 198 ASN N . 17410 1 835 . 1 1 200 200 ILE H H 1 7.862 0.008 . 1 . 888 . . 199 ILE H . 17410 1 836 . 1 1 200 200 ILE C C 13 173.283 . . 1 . 1878 . . 199 ILE C . 17410 1 837 . 1 1 200 200 ILE CA C 13 63.032 0.073 . 1 . 1500 . . 199 ILE CA . 17410 1 838 . 1 1 200 200 ILE CB C 13 38.775 . . 1 . 1879 . . 199 ILE CB . 17410 1 839 . 1 1 200 200 ILE N N 15 112.236 0.092 . 1 . 887 . . 199 ILE N . 17410 1 840 . 1 1 201 201 VAL H H 1 7.615 0.004 . 1 . 914 . . 200 VAL H . 17410 1 841 . 1 1 201 201 VAL C C 13 172.754 . . 1 . 1882 . . 200 VAL C . 17410 1 842 . 1 1 201 201 VAL CA C 13 63.042 . . 1 . 1881 . . 200 VAL CA . 17410 1 843 . 1 1 201 201 VAL CB C 13 32.109 . . 1 . 1880 . . 200 VAL CB . 17410 1 844 . 1 1 201 201 VAL N N 15 118.332 0.043 . 1 . 913 . . 200 VAL N . 17410 1 845 . 1 1 202 202 GLY H H 1 7.569 0.003 . 1 . 932 . . 201 GLY H . 17410 1 846 . 1 1 202 202 GLY C C 13 179.957 . . 1 . 1883 . . 201 GLY C . 17410 1 847 . 1 1 202 202 GLY CA C 13 45.311 0.014 . 1 . 1391 . . 201 GLY CA . 17410 1 848 . 1 1 202 202 GLY N N 15 106.280 0.03 . 1 . 931 . . 201 GLY N . 17410 1 849 . 1 1 203 203 GLU H H 1 8.334 0.021 . 1 . 790 . . 202 GLU H . 17410 1 850 . 1 1 203 203 GLU C C 13 174.763 . . 1 . 1885 . . 202 GLU C . 17410 1 851 . 1 1 203 203 GLU CA C 13 53.803 . . 1 . 1390 . . 202 GLU CA . 17410 1 852 . 1 1 203 203 GLU CB C 13 33.813 . . 1 . 1884 . . 202 GLU CB . 17410 1 853 . 1 1 203 203 GLU N N 15 118.104 0.121 . 1 . 789 . . 202 GLU N . 17410 1 854 . 1 1 204 204 VAL C C 13 176.017 . . 1 . 1960 . . 203 VAL C . 17410 1 855 . 1 1 204 204 VAL CA C 13 59.322 . . 1 . 1421 . . 203 VAL CA . 17410 1 856 . 1 1 204 204 VAL CB C 13 35.506 . . 1 . 1961 . . 203 VAL CB . 17410 1 857 . 1 1 205 205 GLY H H 1 8.198 0.011 . 1 . 820 . . 204 GLY H . 17410 1 858 . 1 1 205 205 GLY C C 13 177.063 . . 1 . 1886 . . 204 GLY C . 17410 1 859 . 1 1 205 205 GLY CA C 13 44.738 0.107 . 1 . 1320 . . 204 GLY CA . 17410 1 860 . 1 1 205 205 GLY N N 15 108.497 0.029 . 1 . 819 . . 204 GLY N . 17410 1 861 . 1 1 206 206 ASP H H 1 8.740 0.011 . 1 . 690 . . 205 ASP H . 17410 1 862 . 1 1 206 206 ASP C C 13 174.514 . . 1 . 1887 . . 205 ASP C . 17410 1 863 . 1 1 206 206 ASP CA C 13 52.409 0.007 . 1 . 1319 . . 205 ASP CA . 17410 1 864 . 1 1 206 206 ASP CB C 13 45.152 . . 1 . 1888 . . 205 ASP CB . 17410 1 865 . 1 1 206 206 ASP N N 15 119.887 0.042 . 1 . 689 . . 205 ASP N . 17410 1 866 . 1 1 207 207 VAL H H 1 10.143 0.001 . 1 . 568 . . 206 VAL H . 17410 1 867 . 1 1 207 207 VAL C C 13 174.547 . . 1 . 1889 . . 206 VAL C . 17410 1 868 . 1 1 207 207 VAL CA C 13 62.081 0.027 . 1 . 1313 . . 206 VAL CA . 17410 1 869 . 1 1 207 207 VAL CB C 13 35.380 . . 1 . 1890 . . 206 VAL CB . 17410 1 870 . 1 1 207 207 VAL N N 15 121.631 0.078 . 1 . 567 . . 206 VAL N . 17410 1 871 . 1 1 208 208 ILE H H 1 7.571 0.004 . 1 . 926 . . 207 ILE H . 17410 1 872 . 1 1 208 208 ILE C C 13 174.823 . . 1 . 1892 . . 207 ILE C . 17410 1 873 . 1 1 208 208 ILE CA C 13 57.743 . . 1 . 1497 . . 207 ILE CA . 17410 1 874 . 1 1 208 208 ILE CB C 13 39.934 . . 1 . 1891 . . 207 ILE CB . 17410 1 875 . 1 1 208 208 ILE N N 15 122.585 0.076 . 1 . 925 . . 207 ILE N . 17410 1 876 . 1 1 209 209 THR H H 1 8.830 0.004 . 1 . 664 . . 208 THR H . 17410 1 877 . 1 1 209 209 THR C C 13 176.932 . . 1 . 1893 . . 208 THR C . 17410 1 878 . 1 1 209 209 THR CA C 13 62.102 . . 1 . 1895 . . 208 THR CA . 17410 1 879 . 1 1 209 209 THR CB C 13 69.854 . . 1 . 1896 . . 208 THR CB . 17410 1 880 . 1 1 209 209 THR N N 15 121.677 0.055 . 1 . 663 . . 208 THR N . 17410 1 881 . 1 1 210 210 ILE H H 1 8.786 0.006 . 1 . 680 . . 209 ILE H . 17410 1 882 . 1 1 210 210 ILE C C 13 173.105 . . 1 . 1898 . . 209 ILE C . 17410 1 883 . 1 1 210 210 ILE CA C 13 58.831 0.035 . 1 . 1254 . . 209 ILE CA . 17410 1 884 . 1 1 210 210 ILE CB C 13 38.069 . . 1 . 1897 . . 209 ILE CB . 17410 1 885 . 1 1 210 210 ILE N N 15 126.981 0.068 . 1 . 679 . . 209 ILE N . 17410 1 886 . 1 1 211 211 GLN H H 1 9.377 0.004 . 1 . 590 . . 210 GLN H . 17410 1 887 . 1 1 211 211 GLN C C 13 176.713 . . 1 . 1899 . . 210 GLN C . 17410 1 888 . 1 1 211 211 GLN CA C 13 54.753 0.038 . 1 . 1404 . . 210 GLN CA . 17410 1 889 . 1 1 211 211 GLN CB C 13 31.563 . . 1 . 1900 . . 210 GLN CB . 17410 1 890 . 1 1 211 211 GLN N N 15 129.857 0.049 . 1 . 589 . . 210 GLN N . 17410 1 891 . 1 1 212 212 VAL H H 1 8.166 0.013 . 1 . 832 . . 211 VAL H . 17410 1 892 . 1 1 212 212 VAL C C 13 173.555 . . 1 . 1902 . . 211 VAL C . 17410 1 893 . 1 1 212 212 VAL CA C 13 60.699 0.011 . 1 . 1300 . . 211 VAL CA . 17410 1 894 . 1 1 212 212 VAL CB C 13 32.263 . . 1 . 1901 . . 211 VAL CB . 17410 1 895 . 1 1 212 212 VAL N N 15 125.306 0.088 . 1 . 831 . . 211 VAL N . 17410 1 896 . 1 1 213 213 HIS H H 1 8.886 0.003 . 1 . 656 . . 212 HIS H . 17410 1 897 . 1 1 213 213 HIS C C 13 174.940 . . 1 . 1903 . . 212 HIS C . 17410 1 898 . 1 1 213 213 HIS CA C 13 53.398 0.013 . 1 . 1315 . . 212 HIS CA . 17410 1 899 . 1 1 213 213 HIS CB C 13 32.133 . . 1 . 1904 . . 212 HIS CB . 17410 1 900 . 1 1 213 213 HIS N N 15 125.863 0.067 . 1 . 655 . . 212 HIS N . 17410 1 901 . 1 1 214 214 ASP H H 1 8.765 0.004 . 1 . 686 . . 213 ASP H . 17410 1 902 . 1 1 214 214 ASP C C 13 174.000 . . 1 . 1906 . . 213 ASP C . 17410 1 903 . 1 1 214 214 ASP CA C 13 54.618 0.008 . 1 . 1478 . . 213 ASP CA . 17410 1 904 . 1 1 214 214 ASP CB C 13 41.856 . . 1 . 1905 . . 213 ASP CB . 17410 1 905 . 1 1 214 214 ASP N N 15 122.368 0.04 . 1 . 685 . . 213 ASP N . 17410 1 906 . 1 1 215 215 ILE H H 1 7.837 0.007 . 1 . 890 . . 214 ILE H . 17410 1 907 . 1 1 215 215 ILE C C 13 168.640 . . 1 . 1907 . . 214 ILE C . 17410 1 908 . 1 1 215 215 ILE CA C 13 62.470 . . 1 . 1475 . . 214 ILE CA . 17410 1 909 . 1 1 215 215 ILE CB C 13 39.989 . . 1 . 1908 . . 214 ILE CB . 17410 1 910 . 1 1 215 215 ILE N N 15 122.887 0.107 . 1 . 889 . . 214 ILE N . 17410 1 stop_ save_