data_18026 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18026 _Entry.Title ; Backbone Chemical Shift Assignments for Unmyristoylated GCAP1 bound to Ca2+ ions ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-10-28 _Entry.Accession_date 2011-10-28 _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 . _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 Sunghyuk Lim . . . 18026 2 James Ames . B. . 18026 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18026 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 326 18026 '15N chemical shifts' 131 18026 '1H chemical shifts' 131 18026 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 . . 2013-03-25 2011-10-28 update BMRB 'update entry citation' 18026 1 . . 2012-03-09 2011-10-28 original author 'original release' 18026 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18026 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22392341 _Citation.Full_citation . _Citation.Title 'Backbone (1)H, (13)C, and (15)N resonance assignments of guanylyl cyclase activating protein-1, GCAP1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _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 42 _Citation.Year 2013 _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 Sunghyuk Lim . . . 18026 1 2 Igor Peshenko . V. . 18026 1 3 Alexander Dizhoor . M. . 18026 1 4 James Ames . B. . 18026 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'calcium-binding protein' 18026 1 'guanylyl cyclase' 18026 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18026 _Assembly.ID 1 _Assembly.Name 'guanylyl cyclase activating protein-1, GCAP1' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 GCAP1 1 $GCAP1 A . yes native no no . . . 18026 1 2 'Calcium ions 1' 2 $CA A . no native no no . . . 18026 1 3 'Calcium ions 2' 2 $CA A . no native no no . . . 18026 1 4 'Calcium ions 3' 2 $CA A . no native no no . . . 18026 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GCAP1 _Entity.Sf_category entity _Entity.Sf_framecode GCAP1 _Entity.Entry_ID 18026 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GCAP1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGNIMDGKSVEELSSTECHQ WYKKFMTECPSGQLTLYEFR QFFGLKNLSPWASQYVEQMF ETFDFNKDGYIDFMEYVAAL SLVLKGKVEQKLRWYFKLYD VDGNGCIDRDELLTIIRAIR AINPCSDSTMTAEEFTDTVF SKIDVNGDGELSLEEFMEGV QKDQMLLDTLTRSLDLTRIV RRLQNGEQDEEGASGRETEA AEADG ; _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 205 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no EMBL CAA64642 . "guanylyl cyclase-activating protein [Bos taurus]" . . . . . 100.00 205 100.00 100.00 2.95e-148 . . . . 18026 1 2 no GB AAB31698 . "photoreceptor guanylyl cyclase-activating protein [Bos taurus]" . . . . . 100.00 205 99.51 99.51 4.03e-147 . . . . 18026 1 3 no REF NP_776971 . "guanylyl cyclase-activating protein 1 [Bos taurus]" . . . . . 100.00 205 100.00 100.00 2.95e-148 . . . . 18026 1 4 no REF XP_003482237 . "PREDICTED: guanylyl cyclase-activating protein 1 [Sus scrofa]" . . . . . 57.56 192 98.31 99.15 1.42e-79 . . . . 18026 1 5 no REF XP_004408126 . "PREDICTED: guanylyl cyclase-activating protein 1 [Odobenus rosmarus divergens]" . . . . . 90.24 204 97.30 99.46 9.95e-130 . . . . 18026 1 6 no REF XP_005969718 . "PREDICTED: guanylyl cyclase-activating protein 1 [Pantholops hodgsonii]" . . . . . 100.00 205 99.02 99.51 4.44e-147 . . . . 18026 1 7 no REF XP_006069254 . "PREDICTED: guanylyl cyclase-activating protein 1 isoform X1 [Bubalus bubalis]" . . . . . 100.00 205 99.51 99.51 2.69e-147 . . . . 18026 1 8 no SP P46065 . "RecName: Full=Guanylyl cyclase-activating protein 1; Short=GCAP 1; AltName: Full=Guanylate cyclase activator 1A" . . . . . 100.00 205 100.00 100.00 2.95e-148 . . . . 18026 1 9 no TPG DAA16514 . "TPA: guanylyl cyclase-activating protein 1 [Bos taurus]" . . . . . 100.00 205 100.00 100.00 2.95e-148 . . . . 18026 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'guanylyl cyclase regulation' 18026 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 18026 1 2 2 GLY . 18026 1 3 3 ASN . 18026 1 4 4 ILE . 18026 1 5 5 MET . 18026 1 6 6 ASP . 18026 1 7 7 GLY . 18026 1 8 8 LYS . 18026 1 9 9 SER . 18026 1 10 10 VAL . 18026 1 11 11 GLU . 18026 1 12 12 GLU . 18026 1 13 13 LEU . 18026 1 14 14 SER . 18026 1 15 15 SER . 18026 1 16 16 THR . 18026 1 17 17 GLU . 18026 1 18 18 CYS . 18026 1 19 19 HIS . 18026 1 20 20 GLN . 18026 1 21 21 TRP . 18026 1 22 22 TYR . 18026 1 23 23 LYS . 18026 1 24 24 LYS . 18026 1 25 25 PHE . 18026 1 26 26 MET . 18026 1 27 27 THR . 18026 1 28 28 GLU . 18026 1 29 29 CYS . 18026 1 30 30 PRO . 18026 1 31 31 SER . 18026 1 32 32 GLY . 18026 1 33 33 GLN . 18026 1 34 34 LEU . 18026 1 35 35 THR . 18026 1 36 36 LEU . 18026 1 37 37 TYR . 18026 1 38 38 GLU . 18026 1 39 39 PHE . 18026 1 40 40 ARG . 18026 1 41 41 GLN . 18026 1 42 42 PHE . 18026 1 43 43 PHE . 18026 1 44 44 GLY . 18026 1 45 45 LEU . 18026 1 46 46 LYS . 18026 1 47 47 ASN . 18026 1 48 48 LEU . 18026 1 49 49 SER . 18026 1 50 50 PRO . 18026 1 51 51 TRP . 18026 1 52 52 ALA . 18026 1 53 53 SER . 18026 1 54 54 GLN . 18026 1 55 55 TYR . 18026 1 56 56 VAL . 18026 1 57 57 GLU . 18026 1 58 58 GLN . 18026 1 59 59 MET . 18026 1 60 60 PHE . 18026 1 61 61 GLU . 18026 1 62 62 THR . 18026 1 63 63 PHE . 18026 1 64 64 ASP . 18026 1 65 65 PHE . 18026 1 66 66 ASN . 18026 1 67 67 LYS . 18026 1 68 68 ASP . 18026 1 69 69 GLY . 18026 1 70 70 TYR . 18026 1 71 71 ILE . 18026 1 72 72 ASP . 18026 1 73 73 PHE . 18026 1 74 74 MET . 18026 1 75 75 GLU . 18026 1 76 76 TYR . 18026 1 77 77 VAL . 18026 1 78 78 ALA . 18026 1 79 79 ALA . 18026 1 80 80 LEU . 18026 1 81 81 SER . 18026 1 82 82 LEU . 18026 1 83 83 VAL . 18026 1 84 84 LEU . 18026 1 85 85 LYS . 18026 1 86 86 GLY . 18026 1 87 87 LYS . 18026 1 88 88 VAL . 18026 1 89 89 GLU . 18026 1 90 90 GLN . 18026 1 91 91 LYS . 18026 1 92 92 LEU . 18026 1 93 93 ARG . 18026 1 94 94 TRP . 18026 1 95 95 TYR . 18026 1 96 96 PHE . 18026 1 97 97 LYS . 18026 1 98 98 LEU . 18026 1 99 99 TYR . 18026 1 100 100 ASP . 18026 1 101 101 VAL . 18026 1 102 102 ASP . 18026 1 103 103 GLY . 18026 1 104 104 ASN . 18026 1 105 105 GLY . 18026 1 106 106 CYS . 18026 1 107 107 ILE . 18026 1 108 108 ASP . 18026 1 109 109 ARG . 18026 1 110 110 ASP . 18026 1 111 111 GLU . 18026 1 112 112 LEU . 18026 1 113 113 LEU . 18026 1 114 114 THR . 18026 1 115 115 ILE . 18026 1 116 116 ILE . 18026 1 117 117 ARG . 18026 1 118 118 ALA . 18026 1 119 119 ILE . 18026 1 120 120 ARG . 18026 1 121 121 ALA . 18026 1 122 122 ILE . 18026 1 123 123 ASN . 18026 1 124 124 PRO . 18026 1 125 125 CYS . 18026 1 126 126 SER . 18026 1 127 127 ASP . 18026 1 128 128 SER . 18026 1 129 129 THR . 18026 1 130 130 MET . 18026 1 131 131 THR . 18026 1 132 132 ALA . 18026 1 133 133 GLU . 18026 1 134 134 GLU . 18026 1 135 135 PHE . 18026 1 136 136 THR . 18026 1 137 137 ASP . 18026 1 138 138 THR . 18026 1 139 139 VAL . 18026 1 140 140 PHE . 18026 1 141 141 SER . 18026 1 142 142 LYS . 18026 1 143 143 ILE . 18026 1 144 144 ASP . 18026 1 145 145 VAL . 18026 1 146 146 ASN . 18026 1 147 147 GLY . 18026 1 148 148 ASP . 18026 1 149 149 GLY . 18026 1 150 150 GLU . 18026 1 151 151 LEU . 18026 1 152 152 SER . 18026 1 153 153 LEU . 18026 1 154 154 GLU . 18026 1 155 155 GLU . 18026 1 156 156 PHE . 18026 1 157 157 MET . 18026 1 158 158 GLU . 18026 1 159 159 GLY . 18026 1 160 160 VAL . 18026 1 161 161 GLN . 18026 1 162 162 LYS . 18026 1 163 163 ASP . 18026 1 164 164 GLN . 18026 1 165 165 MET . 18026 1 166 166 LEU . 18026 1 167 167 LEU . 18026 1 168 168 ASP . 18026 1 169 169 THR . 18026 1 170 170 LEU . 18026 1 171 171 THR . 18026 1 172 172 ARG . 18026 1 173 173 SER . 18026 1 174 174 LEU . 18026 1 175 175 ASP . 18026 1 176 176 LEU . 18026 1 177 177 THR . 18026 1 178 178 ARG . 18026 1 179 179 ILE . 18026 1 180 180 VAL . 18026 1 181 181 ARG . 18026 1 182 182 ARG . 18026 1 183 183 LEU . 18026 1 184 184 GLN . 18026 1 185 185 ASN . 18026 1 186 186 GLY . 18026 1 187 187 GLU . 18026 1 188 188 GLN . 18026 1 189 189 ASP . 18026 1 190 190 GLU . 18026 1 191 191 GLU . 18026 1 192 192 GLY . 18026 1 193 193 ALA . 18026 1 194 194 SER . 18026 1 195 195 GLY . 18026 1 196 196 ARG . 18026 1 197 197 GLU . 18026 1 198 198 THR . 18026 1 199 199 GLU . 18026 1 200 200 ALA . 18026 1 201 201 ALA . 18026 1 202 202 GLU . 18026 1 203 203 ALA . 18026 1 204 204 ASP . 18026 1 205 205 GLY . 18026 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 18026 1 . GLY 2 2 18026 1 . ASN 3 3 18026 1 . ILE 4 4 18026 1 . MET 5 5 18026 1 . ASP 6 6 18026 1 . GLY 7 7 18026 1 . LYS 8 8 18026 1 . SER 9 9 18026 1 . VAL 10 10 18026 1 . GLU 11 11 18026 1 . GLU 12 12 18026 1 . LEU 13 13 18026 1 . SER 14 14 18026 1 . SER 15 15 18026 1 . THR 16 16 18026 1 . GLU 17 17 18026 1 . CYS 18 18 18026 1 . HIS 19 19 18026 1 . GLN 20 20 18026 1 . TRP 21 21 18026 1 . TYR 22 22 18026 1 . LYS 23 23 18026 1 . LYS 24 24 18026 1 . PHE 25 25 18026 1 . MET 26 26 18026 1 . THR 27 27 18026 1 . GLU 28 28 18026 1 . CYS 29 29 18026 1 . PRO 30 30 18026 1 . SER 31 31 18026 1 . GLY 32 32 18026 1 . GLN 33 33 18026 1 . LEU 34 34 18026 1 . THR 35 35 18026 1 . LEU 36 36 18026 1 . TYR 37 37 18026 1 . GLU 38 38 18026 1 . PHE 39 39 18026 1 . ARG 40 40 18026 1 . GLN 41 41 18026 1 . PHE 42 42 18026 1 . PHE 43 43 18026 1 . GLY 44 44 18026 1 . LEU 45 45 18026 1 . LYS 46 46 18026 1 . ASN 47 47 18026 1 . LEU 48 48 18026 1 . SER 49 49 18026 1 . PRO 50 50 18026 1 . TRP 51 51 18026 1 . ALA 52 52 18026 1 . SER 53 53 18026 1 . GLN 54 54 18026 1 . TYR 55 55 18026 1 . VAL 56 56 18026 1 . GLU 57 57 18026 1 . GLN 58 58 18026 1 . MET 59 59 18026 1 . PHE 60 60 18026 1 . GLU 61 61 18026 1 . THR 62 62 18026 1 . PHE 63 63 18026 1 . ASP 64 64 18026 1 . PHE 65 65 18026 1 . ASN 66 66 18026 1 . LYS 67 67 18026 1 . ASP 68 68 18026 1 . GLY 69 69 18026 1 . TYR 70 70 18026 1 . ILE 71 71 18026 1 . ASP 72 72 18026 1 . PHE 73 73 18026 1 . MET 74 74 18026 1 . GLU 75 75 18026 1 . TYR 76 76 18026 1 . VAL 77 77 18026 1 . ALA 78 78 18026 1 . ALA 79 79 18026 1 . LEU 80 80 18026 1 . SER 81 81 18026 1 . LEU 82 82 18026 1 . VAL 83 83 18026 1 . LEU 84 84 18026 1 . LYS 85 85 18026 1 . GLY 86 86 18026 1 . LYS 87 87 18026 1 . VAL 88 88 18026 1 . GLU 89 89 18026 1 . GLN 90 90 18026 1 . LYS 91 91 18026 1 . LEU 92 92 18026 1 . ARG 93 93 18026 1 . TRP 94 94 18026 1 . TYR 95 95 18026 1 . PHE 96 96 18026 1 . LYS 97 97 18026 1 . LEU 98 98 18026 1 . TYR 99 99 18026 1 . ASP 100 100 18026 1 . VAL 101 101 18026 1 . ASP 102 102 18026 1 . GLY 103 103 18026 1 . ASN 104 104 18026 1 . GLY 105 105 18026 1 . CYS 106 106 18026 1 . ILE 107 107 18026 1 . ASP 108 108 18026 1 . ARG 109 109 18026 1 . ASP 110 110 18026 1 . GLU 111 111 18026 1 . LEU 112 112 18026 1 . LEU 113 113 18026 1 . THR 114 114 18026 1 . ILE 115 115 18026 1 . ILE 116 116 18026 1 . ARG 117 117 18026 1 . ALA 118 118 18026 1 . ILE 119 119 18026 1 . ARG 120 120 18026 1 . ALA 121 121 18026 1 . ILE 122 122 18026 1 . ASN 123 123 18026 1 . PRO 124 124 18026 1 . CYS 125 125 18026 1 . SER 126 126 18026 1 . ASP 127 127 18026 1 . SER 128 128 18026 1 . THR 129 129 18026 1 . MET 130 130 18026 1 . THR 131 131 18026 1 . ALA 132 132 18026 1 . GLU 133 133 18026 1 . GLU 134 134 18026 1 . PHE 135 135 18026 1 . THR 136 136 18026 1 . ASP 137 137 18026 1 . THR 138 138 18026 1 . VAL 139 139 18026 1 . PHE 140 140 18026 1 . SER 141 141 18026 1 . LYS 142 142 18026 1 . ILE 143 143 18026 1 . ASP 144 144 18026 1 . VAL 145 145 18026 1 . ASN 146 146 18026 1 . GLY 147 147 18026 1 . ASP 148 148 18026 1 . GLY 149 149 18026 1 . GLU 150 150 18026 1 . LEU 151 151 18026 1 . SER 152 152 18026 1 . LEU 153 153 18026 1 . GLU 154 154 18026 1 . GLU 155 155 18026 1 . PHE 156 156 18026 1 . MET 157 157 18026 1 . GLU 158 158 18026 1 . GLY 159 159 18026 1 . VAL 160 160 18026 1 . GLN 161 161 18026 1 . LYS 162 162 18026 1 . ASP 163 163 18026 1 . GLN 164 164 18026 1 . MET 165 165 18026 1 . LEU 166 166 18026 1 . LEU 167 167 18026 1 . ASP 168 168 18026 1 . THR 169 169 18026 1 . LEU 170 170 18026 1 . THR 171 171 18026 1 . ARG 172 172 18026 1 . SER 173 173 18026 1 . LEU 174 174 18026 1 . ASP 175 175 18026 1 . LEU 176 176 18026 1 . THR 177 177 18026 1 . ARG 178 178 18026 1 . ILE 179 179 18026 1 . VAL 180 180 18026 1 . ARG 181 181 18026 1 . ARG 182 182 18026 1 . LEU 183 183 18026 1 . GLN 184 184 18026 1 . ASN 185 185 18026 1 . GLY 186 186 18026 1 . GLU 187 187 18026 1 . GLN 188 188 18026 1 . ASP 189 189 18026 1 . GLU 190 190 18026 1 . GLU 191 191 18026 1 . GLY 192 192 18026 1 . ALA 193 193 18026 1 . SER 194 194 18026 1 . GLY 195 195 18026 1 . ARG 196 196 18026 1 . GLU 197 197 18026 1 . THR 198 198 18026 1 . GLU 199 199 18026 1 . ALA 200 200 18026 1 . ALA 201 201 18026 1 . GLU 202 202 18026 1 . ALA 203 203 18026 1 . ASP 204 204 18026 1 . GLY 205 205 18026 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 18026 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CA . 18026 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18026 _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 $GCAP1 . 9913 organism . 'Bos taurus' Cattle . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . . . . . . . . . . 18026 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 18026 _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 $GCAP1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET11 . . . . . . 18026 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 18026 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Oct 31 13:16:58 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 18026 CA [Ca++] SMILES CACTVS 3.341 18026 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 18026 CA [Ca+2] SMILES ACDLabs 10.04 18026 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 18026 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18026 CA InChI=1S/Ca/q+2 InChI InChI 1.03 18026 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 18026 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18026 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18026 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18026 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The sample also includes 5mM CaCl2, 5mM MgCl2, and 50mM octyl b-D-glucopyranoside' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 TRIS '[U-100% 2H]' . . . . . . 5 . . mM . . . . 18026 1 2 DTT '[U-100% 2H]' . . . . . . 5 . . mM . . . . 18026 1 3 H2O 'natural abundance' . . . . . . 93 . . % . . . . 18026 1 4 D2O '[U-100% 2H]' . . . . . . 7 . . % . . . . 18026 1 5 GCAP1 '[U-100% 15N]' . . 1 $GCAP1 . . 0.7 . . mM . . . . 18026 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18026 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The sample also includes 5mM CaCl2, 5mM MgCl2, and 50mM octyl b-D-glucopyranoside' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 TRIS '[U-100% 2H]' . . . . . . 5 . . mM . . . . 18026 2 2 DTT '[U-100% 2H]' . . . . . . 5 . . mM . . . . 18026 2 3 H2O 'natural abundance' . . . . . . 93 . . % . . . . 18026 2 4 D2O '[U-100% 2H]' . . . . . . 7 . . % . . . . 18026 2 5 GCAP1 '[U-100% 13C; U-100% 15N]' . . 1 $GCAP1 . . 0.7 . . mM . . . . 18026 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18026 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The sample also includes 5mM CaCl2, 5mM MgCl2, and 50mM octyl b-D-glucopyranoside' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 TRIS '[U-100% 2H]' . . . . . . 5 . . mM . . . . 18026 3 2 DTT '[U-100% 2H]' . . . . . . 5 . . mM . . . . 18026 3 3 H2O 'natural abundance' . . . . . . 93 . . % . . . . 18026 3 4 D2O '[U-100% 2H]' . . . . . . 7 . . % . . . . 18026 3 5 GCAP1 '[U-13C; U-15N; U-2H]' . . 1 $GCAP1 . . 0.7 . . mM . . . . 18026 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18026 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 30 . mM 18026 1 pH 7.4 . pH 18026 1 pressure 1 . atm 18026 1 temperature 317 . K 18026 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18026 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18026 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18026 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18026 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18026 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18026 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18026 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18026 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18026 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 18026 1 2 spectrometer_2 Bruker Avance . 600 . . . 18026 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18026 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18026 1 2 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18026 1 3 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18026 1 4 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18026 1 5 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18026 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18026 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 18026 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18026 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18026 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18026 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18026 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 18026 1 2 '3D HNCO' . . . 18026 1 3 '3D HNCA' . . . 18026 1 4 '3D HNCACB' . . . 18026 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 10 10 VAL C C 13 176.590 0.000 . 1 . . . . 10 VAL C . 18026 1 2 . 1 1 10 10 VAL CA C 13 62.355 0.116 . 1 . . . . 10 VAL CA . 18026 1 3 . 1 1 10 10 VAL CB C 13 31.166 0.090 . 1 . . . . 10 VAL CB . 18026 1 4 . 1 1 10 10 VAL H H 1 8.087 0.003 . 1 . . . . 10 VAL HN . 18026 1 5 . 1 1 10 10 VAL N N 15 120.803 0.037 . 1 . . . . 10 VAL N . 18026 1 6 . 1 1 11 11 GLU CA C 13 56.801 0.005 . 1 . . . . 11 GLU CA . 18026 1 7 . 1 1 11 11 GLU CB C 13 28.846 0.073 . 1 . . . . 11 GLU CB . 18026 1 8 . 1 1 11 11 GLU H H 1 8.356 0.004 . 1 . . . . 11 GLU HN . 18026 1 9 . 1 1 11 11 GLU N N 15 122.783 0.035 . 1 . . . . 11 GLU N . 18026 1 10 . 1 1 12 12 GLU C C 13 176.985 0.000 . 1 . . . . 12 GLU C . 18026 1 11 . 1 1 12 12 GLU CA C 13 56.466 0.071 . 1 . . . . 12 GLU CA . 18026 1 12 . 1 1 12 12 GLU CB C 13 29.189 0.064 . 1 . . . . 12 GLU CB . 18026 1 13 . 1 1 12 12 GLU H H 1 8.135 0.002 . 1 . . . . 12 GLU HN . 18026 1 14 . 1 1 12 12 GLU N N 15 120.448 0.070 . 1 . . . . 12 GLU N . 18026 1 15 . 1 1 13 13 LEU C C 13 177.301 0.000 . 1 . . . . 13 LEU C . 18026 1 16 . 1 1 13 13 LEU CA C 13 54.960 0.020 . 1 . . . . 13 LEU CA . 18026 1 17 . 1 1 13 13 LEU CB C 13 41.099 0.015 . 1 . . . . 13 LEU CB . 18026 1 18 . 1 1 13 13 LEU H H 1 8.021 0.012 . 1 . . . . 13 LEU HN . 18026 1 19 . 1 1 13 13 LEU N N 15 121.599 0.046 . 1 . . . . 13 LEU N . 18026 1 20 . 1 1 14 14 SER CA C 13 57.944 0.000 . 1 . . . . 14 SER CA . 18026 1 21 . 1 1 14 14 SER CB C 13 63.432 0.116 . 1 . . . . 14 SER CB . 18026 1 22 . 1 1 14 14 SER H H 1 8.194 0.016 . 1 . . . . 14 SER HN . 18026 1 23 . 1 1 14 14 SER N N 15 115.704 0.047 . 1 . . . . 14 SER N . 18026 1 24 . 1 1 22 22 TYR C C 13 175.720 0.000 . 1 . . . . 22 TYR C . 18026 1 25 . 1 1 22 22 TYR CA C 13 60.841 0.000 . 1 . . . . 22 TYR CA . 18026 1 26 . 1 1 22 22 TYR H H 1 8.596 0.004 . 1 . . . . 22 TYR HN . 18026 1 27 . 1 1 22 22 TYR N N 15 117.618 0.015 . 1 . . . . 22 TYR N . 18026 1 28 . 1 1 23 23 LYS C C 13 179.210 0.000 . 1 . . . . 23 LYS C . 18026 1 29 . 1 1 23 23 LYS CA C 13 57.514 0.000 . 1 . . . . 23 LYS CA . 18026 1 30 . 1 1 23 23 LYS CB C 13 31.140 0.120 . 1 . . . . 23 LYS CB . 18026 1 31 . 1 1 23 23 LYS H H 1 7.283 0.006 . 1 . . . . 23 LYS HN . 18026 1 32 . 1 1 23 23 LYS N N 15 114.193 0.065 . 1 . . . . 23 LYS N . 18026 1 33 . 1 1 24 24 LYS CA C 13 58.570 0.032 . 1 . . . . 24 LYS CA . 18026 1 34 . 1 1 24 24 LYS CB C 13 31.529 0.022 . 1 . . . . 24 LYS CB . 18026 1 35 . 1 1 24 24 LYS H H 1 7.930 0.007 . 1 . . . . 24 LYS HN . 18026 1 36 . 1 1 24 24 LYS N N 15 119.945 0.014 . 1 . . . . 24 LYS N . 18026 1 37 . 1 1 25 25 PHE C C 13 176.435 0.000 . 1 . . . . 25 PHE C . 18026 1 38 . 1 1 25 25 PHE CA C 13 60.969 0.006 . 1 . . . . 25 PHE CA . 18026 1 39 . 1 1 25 25 PHE CB C 13 39.048 0.048 . 1 . . . . 25 PHE CB . 18026 1 40 . 1 1 25 25 PHE H H 1 7.842 0.010 . 1 . . . . 25 PHE HN . 18026 1 41 . 1 1 25 25 PHE N N 15 119.552 0.103 . 1 . . . . 25 PHE N . 18026 1 42 . 1 1 26 26 MET C C 13 178.181 0.000 . 1 . . . . 26 MET C . 18026 1 43 . 1 1 26 26 MET CA C 13 55.561 0.000 . 1 . . . . 26 MET CA . 18026 1 44 . 1 1 26 26 MET CB C 13 30.187 0.153 . 1 . . . . 26 MET CB . 18026 1 45 . 1 1 26 26 MET H H 1 7.953 0.002 . 1 . . . . 26 MET HN . 18026 1 46 . 1 1 26 26 MET N N 15 113.706 0.010 . 1 . . . . 26 MET N . 18026 1 47 . 1 1 27 27 THR CA C 13 64.135 0.144 . 1 . . . . 27 THR CA . 18026 1 48 . 1 1 27 27 THR CB C 13 68.517 0.006 . 1 . . . . 27 THR CB . 18026 1 49 . 1 1 27 27 THR H H 1 7.724 0.016 . 1 . . . . 27 THR HN . 18026 1 50 . 1 1 27 27 THR N N 15 112.093 0.144 . 1 . . . . 27 THR N . 18026 1 51 . 1 1 31 31 SER C C 13 175.923 0.000 . 1 . . . . 31 SER C . 18026 1 52 . 1 1 31 31 SER CA C 13 58.537 0.000 . 1 . . . . 31 SER CA . 18026 1 53 . 1 1 31 31 SER CB C 13 63.034 0.000 . 1 . . . . 31 SER CB . 18026 1 54 . 1 1 31 31 SER H H 1 8.176 0.004 . 1 . . . . 31 SER HN . 18026 1 55 . 1 1 31 31 SER N N 15 112.062 0.010 . 1 . . . . 31 SER N . 18026 1 56 . 1 1 32 32 GLY C C 13 172.405 0.000 . 1 . . . . 32 GLY C . 18026 1 57 . 1 1 32 32 GLY CA C 13 45.279 0.000 . 1 . . . . 32 GLY CA . 18026 1 58 . 1 1 32 32 GLY H H 1 8.256 0.018 . 1 . . . . 32 GLY HN . 18026 1 59 . 1 1 32 32 GLY N N 15 110.052 0.079 . 1 . . . . 32 GLY N . 18026 1 60 . 1 1 33 33 GLN CA C 13 53.688 0.017 . 1 . . . . 33 GLN CA . 18026 1 61 . 1 1 33 33 GLN CB C 13 30.052 0.134 . 1 . . . . 33 GLN CB . 18026 1 62 . 1 1 33 33 GLN H H 1 7.436 0.003 . 1 . . . . 33 GLN HN . 18026 1 63 . 1 1 33 33 GLN N N 15 116.316 0.013 . 1 . . . . 33 GLN N . 18026 1 64 . 1 1 34 34 LEU C C 13 177.389 0.000 . 1 . . . . 34 LEU C . 18026 1 65 . 1 1 34 34 LEU CA C 13 53.918 0.058 . 1 . . . . 34 LEU CA . 18026 1 66 . 1 1 34 34 LEU CB C 13 43.762 0.000 . 1 . . . . 34 LEU CB . 18026 1 67 . 1 1 34 34 LEU H H 1 9.004 0.005 . 1 . . . . 34 LEU HN . 18026 1 68 . 1 1 34 34 LEU N N 15 123.402 0.015 . 1 . . . . 34 LEU N . 18026 1 69 . 1 1 35 35 THR C C 13 175.215 0.000 . 1 . . . . 35 THR C . 18026 1 70 . 1 1 35 35 THR CA C 13 60.370 0.009 . 1 . . . . 35 THR CA . 18026 1 71 . 1 1 35 35 THR CB C 13 71.223 0.033 . 1 . . . . 35 THR CB . 18026 1 72 . 1 1 35 35 THR H H 1 8.456 0.008 . 1 . . . . 35 THR HN . 18026 1 73 . 1 1 35 35 THR N N 15 114.319 0.045 . 1 . . . . 35 THR N . 18026 1 74 . 1 1 36 36 LEU C C 13 178.096 0.000 . 1 . . . . 36 LEU C . 18026 1 75 . 1 1 36 36 LEU CA C 13 57.834 0.063 . 1 . . . . 36 LEU CA . 18026 1 76 . 1 1 36 36 LEU CB C 13 39.131 0.166 . 1 . . . . 36 LEU CB . 18026 1 77 . 1 1 36 36 LEU H H 1 8.424 0.004 . 1 . . . . 36 LEU HN . 18026 1 78 . 1 1 36 36 LEU N N 15 123.188 0.046 . 1 . . . . 36 LEU N . 18026 1 79 . 1 1 37 37 TYR C C 13 178.294 0.000 . 1 . . . . 37 TYR C . 18026 1 80 . 1 1 37 37 TYR CA C 13 60.701 0.006 . 1 . . . . 37 TYR CA . 18026 1 81 . 1 1 37 37 TYR CB C 13 37.230 0.185 . 1 . . . . 37 TYR CB . 18026 1 82 . 1 1 37 37 TYR H H 1 7.887 0.007 . 1 . . . . 37 TYR HN . 18026 1 83 . 1 1 37 37 TYR N N 15 117.194 0.032 . 1 . . . . 37 TYR N . 18026 1 84 . 1 1 38 38 GLU C C 13 178.535 0.000 . 1 . . . . 38 GLU C . 18026 1 85 . 1 1 38 38 GLU CA C 13 58.295 0.075 . 1 . . . . 38 GLU CA . 18026 1 86 . 1 1 38 38 GLU CB C 13 29.424 0.143 . 1 . . . . 38 GLU CB . 18026 1 87 . 1 1 38 38 GLU H H 1 7.545 0.006 . 1 . . . . 38 GLU HN . 18026 1 88 . 1 1 38 38 GLU N N 15 118.472 0.053 . 1 . . . . 38 GLU N . 18026 1 89 . 1 1 39 39 PHE C C 13 176.594 0.000 . 1 . . . . 39 PHE C . 18026 1 90 . 1 1 39 39 PHE CA C 13 60.633 0.000 . 1 . . . . 39 PHE CA . 18026 1 91 . 1 1 39 39 PHE CB C 13 39.880 0.000 . 1 . . . . 39 PHE CB . 18026 1 92 . 1 1 39 39 PHE H H 1 8.963 0.011 . 1 . . . . 39 PHE HN . 18026 1 93 . 1 1 39 39 PHE N N 15 122.451 0.050 . 1 . . . . 39 PHE N . 18026 1 94 . 1 1 40 40 ARG C C 13 178.529 0.000 . 1 . . . . 40 ARG C . 18026 1 95 . 1 1 40 40 ARG CA C 13 59.469 0.048 . 1 . . . . 40 ARG CA . 18026 1 96 . 1 1 40 40 ARG CB C 13 29.070 0.000 . 1 . . . . 40 ARG CB . 18026 1 97 . 1 1 40 40 ARG H H 1 8.289 0.004 . 1 . . . . 40 ARG HN . 18026 1 98 . 1 1 40 40 ARG N N 15 115.649 0.027 . 1 . . . . 40 ARG N . 18026 1 99 . 1 1 41 41 GLN C C 13 178.650 0.000 . 1 . . . . 41 GLN C . 18026 1 100 . 1 1 41 41 GLN CA C 13 57.492 0.000 . 1 . . . . 41 GLN CA . 18026 1 101 . 1 1 41 41 GLN CB C 13 27.466 0.080 . 1 . . . . 41 GLN CB . 18026 1 102 . 1 1 41 41 GLN H H 1 7.548 0.003 . 1 . . . . 41 GLN HN . 18026 1 103 . 1 1 41 41 GLN N N 15 116.831 0.064 . 1 . . . . 41 GLN N . 18026 1 104 . 1 1 42 42 PHE C C 13 176.498 0.000 . 1 . . . . 42 PHE C . 18026 1 105 . 1 1 42 42 PHE CA C 13 59.714 0.000 . 1 . . . . 42 PHE CA . 18026 1 106 . 1 1 42 42 PHE H H 1 8.395 0.010 . 1 . . . . 42 PHE HN . 18026 1 107 . 1 1 42 42 PHE N N 15 121.206 0.000 . 1 . . . . 42 PHE N . 18026 1 108 . 1 1 43 43 PHE C C 13 175.243 0.000 . 1 . . . . 43 PHE C . 18026 1 109 . 1 1 43 43 PHE CA C 13 58.121 0.038 . 1 . . . . 43 PHE CA . 18026 1 110 . 1 1 43 43 PHE CB C 13 38.485 0.097 . 1 . . . . 43 PHE CB . 18026 1 111 . 1 1 43 43 PHE H H 1 7.316 0.003 . 1 . . . . 43 PHE HN . 18026 1 112 . 1 1 43 43 PHE N N 15 112.867 0.050 . 1 . . . . 43 PHE N . 18026 1 113 . 1 1 44 44 GLY CA C 13 45.987 0.039 . 1 . . . . 44 GLY CA . 18026 1 114 . 1 1 44 44 GLY H H 1 7.605 0.006 . 1 . . . . 44 GLY HN . 18026 1 115 . 1 1 44 44 GLY N N 15 107.301 0.039 . 1 . . . . 44 GLY N . 18026 1 116 . 1 1 45 45 LEU CA C 13 53.645 0.047 . 1 . . . . 45 LEU CA . 18026 1 117 . 1 1 45 45 LEU CB C 13 40.177 0.196 . 1 . . . . 45 LEU CB . 18026 1 118 . 1 1 45 45 LEU H H 1 8.148 0.013 . 1 . . . . 45 LEU HN . 18026 1 119 . 1 1 45 45 LEU N N 15 120.022 0.136 . 1 . . . . 45 LEU N . 18026 1 120 . 1 1 52 52 ALA C C 13 178.994 0.000 . 1 . . . . 52 ALA C . 18026 1 121 . 1 1 52 52 ALA CA C 13 54.013 0.084 . 1 . . . . 52 ALA CA . 18026 1 122 . 1 1 52 52 ALA CB C 13 18.038 0.000 . 1 . . . . 52 ALA CB . 18026 1 123 . 1 1 52 52 ALA H H 1 7.287 0.003 . 1 . . . . 52 ALA HN . 18026 1 124 . 1 1 52 52 ALA N N 15 122.844 0.053 . 1 . . . . 52 ALA N . 18026 1 125 . 1 1 53 53 SER CA C 13 61.256 0.000 . 1 . . . . 53 SER CA . 18026 1 126 . 1 1 53 53 SER H H 1 8.423 0.008 . 1 . . . . 53 SER HN . 18026 1 127 . 1 1 53 53 SER N N 15 113.352 0.036 . 1 . . . . 53 SER N . 18026 1 128 . 1 1 62 62 THR C C 13 174.867 0.000 . 1 . . . . 62 THR C . 18026 1 129 . 1 1 62 62 THR CA C 13 65.215 0.082 . 1 . . . . 62 THR CA . 18026 1 130 . 1 1 62 62 THR CB C 13 67.869 0.000 . 1 . . . . 62 THR CB . 18026 1 131 . 1 1 62 62 THR H H 1 7.490 0.005 . 1 . . . . 62 THR HN . 18026 1 132 . 1 1 62 62 THR N N 15 113.526 0.014 . 1 . . . . 62 THR N . 18026 1 133 . 1 1 63 63 PHE C C 13 174.100 0.000 . 1 . . . . 63 PHE C . 18026 1 134 . 1 1 63 63 PHE CA C 13 56.501 0.032 . 1 . . . . 63 PHE CA . 18026 1 135 . 1 1 63 63 PHE CB C 13 37.451 0.045 . 1 . . . . 63 PHE CB . 18026 1 136 . 1 1 63 63 PHE H H 1 7.154 0.007 . 1 . . . . 63 PHE HN . 18026 1 137 . 1 1 63 63 PHE N N 15 117.570 0.047 . 1 . . . . 63 PHE N . 18026 1 138 . 1 1 64 64 ASP C C 13 177.887 0.000 . 1 . . . . 64 ASP C . 18026 1 139 . 1 1 64 64 ASP CA C 13 50.969 0.030 . 1 . . . . 64 ASP CA . 18026 1 140 . 1 1 64 64 ASP CB C 13 37.221 0.064 . 1 . . . . 64 ASP CB . 18026 1 141 . 1 1 64 64 ASP H H 1 7.034 0.009 . 1 . . . . 64 ASP HN . 18026 1 142 . 1 1 64 64 ASP N N 15 117.095 0.048 . 1 . . . . 64 ASP N . 18026 1 143 . 1 1 65 65 PHE C C 13 177.596 0.000 . 1 . . . . 65 PHE C . 18026 1 144 . 1 1 65 65 PHE CA C 13 59.504 0.115 . 1 . . . . 65 PHE CA . 18026 1 145 . 1 1 65 65 PHE CB C 13 38.336 0.119 . 1 . . . . 65 PHE CB . 18026 1 146 . 1 1 65 65 PHE H H 1 7.566 0.005 . 1 . . . . 65 PHE HN . 18026 1 147 . 1 1 65 65 PHE N N 15 124.870 0.047 . 1 . . . . 65 PHE N . 18026 1 148 . 1 1 66 66 ASN C C 13 174.536 0.000 . 1 . . . . 66 ASN C . 18026 1 149 . 1 1 66 66 ASN CA C 13 51.274 0.000 . 1 . . . . 66 ASN CA . 18026 1 150 . 1 1 66 66 ASN CB C 13 36.114 0.000 . 1 . . . . 66 ASN CB . 18026 1 151 . 1 1 66 66 ASN H H 1 8.159 0.003 . 1 . . . . 66 ASN HN . 18026 1 152 . 1 1 66 66 ASN N N 15 112.989 0.018 . 1 . . . . 66 ASN N . 18026 1 153 . 1 1 67 67 LYS C C 13 176.015 0.000 . 1 . . . . 67 LYS C . 18026 1 154 . 1 1 67 67 LYS CA C 13 55.659 0.000 . 1 . . . . 67 LYS CA . 18026 1 155 . 1 1 67 67 LYS CB C 13 27.659 0.036 . 1 . . . . 67 LYS CB . 18026 1 156 . 1 1 67 67 LYS H H 1 7.751 0.007 . 1 . . . . 67 LYS HN . 18026 1 157 . 1 1 67 67 LYS N N 15 116.569 0.057 . 1 . . . . 67 LYS N . 18026 1 158 . 1 1 68 68 ASP C C 13 177.387 0.000 . 1 . . . . 68 ASP C . 18026 1 159 . 1 1 68 68 ASP CA C 13 52.325 0.000 . 1 . . . . 68 ASP CA . 18026 1 160 . 1 1 68 68 ASP CB C 13 40.188 0.043 . 1 . . . . 68 ASP CB . 18026 1 161 . 1 1 68 68 ASP H H 1 8.423 0.006 . 1 . . . . 68 ASP HN . 18026 1 162 . 1 1 68 68 ASP N N 15 118.514 0.023 . 1 . . . . 68 ASP N . 18026 1 163 . 1 1 69 69 GLY CA C 13 44.586 0.000 . 1 . . . . 69 GLY CA . 18026 1 164 . 1 1 69 69 GLY H H 1 10.283 0.005 . 1 . . . . 69 GLY HN . 18026 1 165 . 1 1 69 69 GLY N N 15 112.206 0.028 . 1 . . . . 69 GLY N . 18026 1 166 . 1 1 70 70 TYR C C 13 175.573 0.000 . 1 . . . . 70 TYR C . 18026 1 167 . 1 1 70 70 TYR CA C 13 55.067 0.000 . 1 . . . . 70 TYR CA . 18026 1 168 . 1 1 70 70 TYR CB C 13 41.233 0.176 . 1 . . . . 70 TYR CB . 18026 1 169 . 1 1 70 70 TYR H H 1 8.036 0.009 . 1 . . . . 70 TYR HN . 18026 1 170 . 1 1 70 70 TYR N N 15 117.008 0.061 . 1 . . . . 70 TYR N . 18026 1 171 . 1 1 71 71 ILE C C 13 175.634 0.000 . 1 . . . . 71 ILE C . 18026 1 172 . 1 1 71 71 ILE CA C 13 59.007 0.000 . 1 . . . . 71 ILE CA . 18026 1 173 . 1 1 71 71 ILE CB C 13 37.699 0.000 . 1 . . . . 71 ILE CB . 18026 1 174 . 1 1 71 71 ILE H H 1 9.324 0.004 . 1 . . . . 71 ILE HN . 18026 1 175 . 1 1 71 71 ILE N N 15 125.158 0.049 . 1 . . . . 71 ILE N . 18026 1 176 . 1 1 72 72 ASP C C 13 176.110 0.000 . 1 . . . . 72 ASP C . 18026 1 177 . 1 1 72 72 ASP CA C 13 51.350 0.000 . 1 . . . . 72 ASP CA . 18026 1 178 . 1 1 72 72 ASP CB C 13 41.660 0.000 . 1 . . . . 72 ASP CB . 18026 1 179 . 1 1 72 72 ASP H H 1 8.895 0.007 . 1 . . . . 72 ASP HN . 18026 1 180 . 1 1 72 72 ASP N N 15 128.043 0.032 . 1 . . . . 72 ASP N . 18026 1 181 . 1 1 73 73 PHE CA C 13 60.667 0.000 . 1 . . . . 73 PHE CA . 18026 1 182 . 1 1 73 73 PHE CB C 13 38.759 0.000 . 1 . . . . 73 PHE CB . 18026 1 183 . 1 1 73 73 PHE H H 1 8.396 0.003 . 1 . . . . 73 PHE HN . 18026 1 184 . 1 1 73 73 PHE N N 15 116.015 0.022 . 1 . . . . 73 PHE N . 18026 1 185 . 1 1 76 76 TYR CA C 13 60.611 0.102 . 1 . . . . 76 TYR CA . 18026 1 186 . 1 1 76 76 TYR CB C 13 37.248 0.000 . 1 . . . . 76 TYR CB . 18026 1 187 . 1 1 76 76 TYR H H 1 7.733 0.006 . 1 . . . . 76 TYR HN . 18026 1 188 . 1 1 76 76 TYR N N 15 120.572 0.048 . 1 . . . . 76 TYR N . 18026 1 189 . 1 1 77 77 VAL CA C 13 65.546 0.048 . 1 . . . . 77 VAL CA . 18026 1 190 . 1 1 77 77 VAL CB C 13 30.098 0.072 . 1 . . . . 77 VAL CB . 18026 1 191 . 1 1 77 77 VAL H H 1 8.089 0.004 . 1 . . . . 77 VAL HN . 18026 1 192 . 1 1 77 77 VAL N N 15 117.535 0.049 . 1 . . . . 77 VAL N . 18026 1 193 . 1 1 78 78 ALA CA C 13 54.324 0.000 . 1 . . . . 78 ALA CA . 18026 1 194 . 1 1 78 78 ALA H H 1 7.930 0.003 . 1 . . . . 78 ALA HN . 18026 1 195 . 1 1 78 78 ALA N N 15 123.094 0.057 . 1 . . . . 78 ALA N . 18026 1 196 . 1 1 80 80 LEU C C 13 179.132 0.000 . 1 . . . . 80 LEU C . 18026 1 197 . 1 1 80 80 LEU CA C 13 56.846 0.000 . 1 . . . . 80 LEU CA . 18026 1 198 . 1 1 80 80 LEU CB C 13 40.019 0.000 . 1 . . . . 80 LEU CB . 18026 1 199 . 1 1 80 80 LEU H H 1 7.995 0.002 . 1 . . . . 80 LEU HN . 18026 1 200 . 1 1 80 80 LEU N N 15 116.704 0.019 . 1 . . . . 80 LEU N . 18026 1 201 . 1 1 81 81 SER CA C 13 61.498 0.000 . 1 . . . . 81 SER CA . 18026 1 202 . 1 1 81 81 SER H H 1 7.970 0.010 . 1 . . . . 81 SER HN . 18026 1 203 . 1 1 81 81 SER N N 15 113.272 0.017 . 1 . . . . 81 SER N . 18026 1 204 . 1 1 82 82 LEU CA C 13 56.846 0.000 . 1 . . . . 82 LEU CA . 18026 1 205 . 1 1 82 82 LEU CB C 13 41.030 0.000 . 1 . . . . 82 LEU CB . 18026 1 206 . 1 1 82 82 LEU H H 1 7.506 0.001 . 1 . . . . 82 LEU HN . 18026 1 207 . 1 1 82 82 LEU N N 15 121.097 0.043 . 1 . . . . 82 LEU N . 18026 1 208 . 1 1 86 86 GLY CA C 13 44.712 0.022 . 1 . . . . 86 GLY CA . 18026 1 209 . 1 1 86 86 GLY H H 1 8.149 0.001 . 1 . . . . 86 GLY HN . 18026 1 210 . 1 1 86 86 GLY N N 15 113.789 0.041 . 1 . . . . 86 GLY N . 18026 1 211 . 1 1 87 87 LYS CA C 13 55.834 0.000 . 1 . . . . 87 LYS CA . 18026 1 212 . 1 1 87 87 LYS H H 1 8.351 0.008 . 1 . . . . 87 LYS HN . 18026 1 213 . 1 1 87 87 LYS N N 15 120.592 0.065 . 1 . . . . 87 LYS N . 18026 1 214 . 1 1 100 100 ASP C C 13 177.579 0.000 . 1 . . . . 100 ASP C . 18026 1 215 . 1 1 100 100 ASP CA C 13 51.822 0.000 . 1 . . . . 100 ASP CA . 18026 1 216 . 1 1 100 100 ASP H H 1 7.028 0.007 . 1 . . . . 100 ASP HN . 18026 1 217 . 1 1 100 100 ASP N N 15 118.467 0.054 . 1 . . . . 100 ASP N . 18026 1 218 . 1 1 101 101 VAL C C 13 177.566 0.000 . 1 . . . . 101 VAL C . 18026 1 219 . 1 1 101 101 VAL CA C 13 64.720 0.013 . 1 . . . . 101 VAL CA . 18026 1 220 . 1 1 101 101 VAL CB C 13 30.856 0.017 . 1 . . . . 101 VAL CB . 18026 1 221 . 1 1 101 101 VAL H H 1 7.609 0.006 . 1 . . . . 101 VAL HN . 18026 1 222 . 1 1 101 101 VAL N N 15 124.147 0.043 . 1 . . . . 101 VAL N . 18026 1 223 . 1 1 102 102 ASP C C 13 177.844 0.000 . 1 . . . . 102 ASP C . 18026 1 224 . 1 1 102 102 ASP CA C 13 52.552 0.132 . 1 . . . . 102 ASP CA . 18026 1 225 . 1 1 102 102 ASP CB C 13 38.931 0.000 . 1 . . . . 102 ASP CB . 18026 1 226 . 1 1 102 102 ASP H H 1 8.226 0.013 . 1 . . . . 102 ASP HN . 18026 1 227 . 1 1 102 102 ASP N N 15 116.254 0.028 . 1 . . . . 102 ASP N . 18026 1 228 . 1 1 103 103 GLY C C 13 175.074 0.000 . 1 . . . . 103 GLY C . 18026 1 229 . 1 1 103 103 GLY CA C 13 46.285 0.035 . 1 . . . . 103 GLY CA . 18026 1 230 . 1 1 103 103 GLY H H 1 7.614 0.002 . 1 . . . . 103 GLY HN . 18026 1 231 . 1 1 103 103 GLY N N 15 109.094 0.026 . 1 . . . . 103 GLY N . 18026 1 232 . 1 1 104 104 ASN CA C 13 52.058 0.000 . 1 . . . . 104 ASN CA . 18026 1 233 . 1 1 104 104 ASN CB C 13 37.017 0.000 . 1 . . . . 104 ASN CB . 18026 1 234 . 1 1 104 104 ASN H H 1 8.265 0.002 . 1 . . . . 104 ASN HN . 18026 1 235 . 1 1 104 104 ASN N N 15 119.345 0.013 . 1 . . . . 104 ASN N . 18026 1 236 . 1 1 105 105 GLY C C 13 173.234 0.000 . 1 . . . . 105 GLY C . 18026 1 237 . 1 1 105 105 GLY CA C 13 44.83 0.000 . 1 . . . . 105 GLY CA . 18026 1 238 . 1 1 105 105 GLY H H 1 10.506 0.000 . 1 . . . . 105 GLY HN . 18026 1 239 . 1 1 105 105 GLY N N 15 113.394 0.000 . 1 . . . . 105 GLY N . 18026 1 240 . 1 1 106 106 CYS C C 13 173.000 0.000 . 1 . . . . 106 CYS C . 18026 1 241 . 1 1 106 106 CYS CA C 13 55.085 0.000 . 1 . . . . 106 CYS CA . 18026 1 242 . 1 1 106 106 CYS CB C 13 31.745 0.176 . 1 . . . . 106 CYS CB . 18026 1 243 . 1 1 106 106 CYS H H 1 7.615 0.002 . 1 . . . . 106 CYS HN . 18026 1 244 . 1 1 106 106 CYS N N 15 114.867 0.059 . 1 . . . . 106 CYS N . 18026 1 245 . 1 1 107 107 ILE CA C 13 57.999 0.000 . 1 . . . . 107 ILE CA . 18026 1 246 . 1 1 107 107 ILE H H 1 9.018 0.002 . 1 . . . . 107 ILE HN . 18026 1 247 . 1 1 107 107 ILE N N 15 126.353 0.014 . 1 . . . . 107 ILE N . 18026 1 248 . 1 1 113 113 LEU C C 13 178.451 0.000 . 1 . . . . 113 LEU C . 18026 1 249 . 1 1 113 113 LEU CA C 13 57.094 0.000 . 1 . . . . 113 LEU CA . 18026 1 250 . 1 1 113 113 LEU CB C 13 40.512 0.000 . 1 . . . . 113 LEU CB . 18026 1 251 . 1 1 113 113 LEU H H 1 8.327 0.000 . 1 . . . . 113 LEU HN . 18026 1 252 . 1 1 113 113 LEU N N 15 119.934 0.009 . 1 . . . . 113 LEU N . 18026 1 253 . 1 1 114 114 THR C C 13 176.179 0.000 . 1 . . . . 114 THR C . 18026 1 254 . 1 1 114 114 THR CA C 13 66.425 0.000 . 1 . . . . 114 THR CA . 18026 1 255 . 1 1 114 114 THR CB C 13 67.849 0.000 . 1 . . . . 114 THR CB . 18026 1 256 . 1 1 114 114 THR H H 1 7.694 0.015 . 1 . . . . 114 THR HN . 18026 1 257 . 1 1 114 114 THR N N 15 114.714 0.048 . 1 . . . . 114 THR N . 18026 1 258 . 1 1 115 115 ILE CA C 13 63.776 0.000 . 1 . . . . 115 ILE CA . 18026 1 259 . 1 1 115 115 ILE H H 1 7.475 0.005 . 1 . . . . 115 ILE HN . 18026 1 260 . 1 1 115 115 ILE N N 15 121.705 0.003 . 1 . . . . 115 ILE N . 18026 1 261 . 1 1 116 116 ILE C C 13 178.500 0.000 . 1 . . . . 116 ILE C . 18026 1 262 . 1 1 116 116 ILE CA C 13 63.255 0.000 . 1 . . . . 116 ILE CA . 18026 1 263 . 1 1 116 116 ILE CB C 13 34.997 0.000 . 1 . . . . 116 ILE CB . 18026 1 264 . 1 1 116 116 ILE H H 1 8.437 0.007 . 1 . . . . 116 ILE HN . 18026 1 265 . 1 1 116 116 ILE N N 15 119.729 0.041 . 1 . . . . 116 ILE N . 18026 1 266 . 1 1 117 117 ARG C C 13 178.940 0.000 . 1 . . . . 117 ARG C . 18026 1 267 . 1 1 117 117 ARG CA C 13 59.516 0.000 . 1 . . . . 117 ARG CA . 18026 1 268 . 1 1 117 117 ARG CB C 13 29.302 0.000 . 1 . . . . 117 ARG CB . 18026 1 269 . 1 1 117 117 ARG H H 1 8.659 0.003 . 1 . . . . 117 ARG HN . 18026 1 270 . 1 1 117 117 ARG N N 15 118.378 0.039 . 1 . . . . 117 ARG N . 18026 1 271 . 1 1 118 118 ALA C C 13 179.347 0.000 . 1 . . . . 118 ALA C . 18026 1 272 . 1 1 118 118 ALA CA C 13 54.630 0.017 . 1 . . . . 118 ALA CA . 18026 1 273 . 1 1 118 118 ALA CB C 13 17.282 0.177 . 1 . . . . 118 ALA CB . 18026 1 274 . 1 1 118 118 ALA H H 1 7.792 0.005 . 1 . . . . 118 ALA HN . 18026 1 275 . 1 1 118 118 ALA N N 15 122.599 0.041 . 1 . . . . 118 ALA N . 18026 1 276 . 1 1 119 119 ILE CA C 13 64.069 0.073 . 1 . . . . 119 ILE CA . 18026 1 277 . 1 1 119 119 ILE CB C 13 36.672 0.000 . 1 . . . . 119 ILE CB . 18026 1 278 . 1 1 119 119 ILE H H 1 8.311 0.007 . 1 . . . . 119 ILE HN . 18026 1 279 . 1 1 119 119 ILE N N 15 117.542 0.030 . 1 . . . . 119 ILE N . 18026 1 280 . 1 1 121 121 ALA C C 13 178.948 0.000 . 1 . . . . 121 ALA C . 18026 1 281 . 1 1 121 121 ALA CA C 13 53.221 0.013 . 1 . . . . 121 ALA CA . 18026 1 282 . 1 1 121 121 ALA CB C 13 17.784 0.000 . 1 . . . . 121 ALA CB . 18026 1 283 . 1 1 121 121 ALA H H 1 7.559 0.005 . 1 . . . . 121 ALA HN . 18026 1 284 . 1 1 121 121 ALA N N 15 119.643 0.056 . 1 . . . . 121 ALA N . 18026 1 285 . 1 1 122 122 ILE C C 13 175.254 0.000 . 1 . . . . 122 ILE C . 18026 1 286 . 1 1 122 122 ILE CA C 13 61.532 0.011 . 1 . . . . 122 ILE CA . 18026 1 287 . 1 1 122 122 ILE CB C 13 37.597 0.054 . 1 . . . . 122 ILE CB . 18026 1 288 . 1 1 122 122 ILE H H 1 7.432 0.003 . 1 . . . . 122 ILE HN . 18026 1 289 . 1 1 122 122 ILE N N 15 113.481 0.051 . 1 . . . . 122 ILE N . 18026 1 290 . 1 1 123 123 ASN CA C 13 49.843 0.036 . 1 . . . . 123 ASN CA . 18026 1 291 . 1 1 123 123 ASN CB C 13 38.790 0.126 . 1 . . . . 123 ASN CB . 18026 1 292 . 1 1 123 123 ASN H H 1 7.830 0.002 . 1 . . . . 123 ASN HN . 18026 1 293 . 1 1 123 123 ASN N N 15 117.833 0.042 . 1 . . . . 123 ASN N . 18026 1 294 . 1 1 133 133 GLU C C 13 177.740 0.000 . 1 . . . . 133 GLU C . 18026 1 295 . 1 1 133 133 GLU CA C 13 60.837 0.009 . 1 . . . . 133 GLU CA . 18026 1 296 . 1 1 133 133 GLU CB C 13 27.520 0.182 . 1 . . . . 133 GLU CB . 18026 1 297 . 1 1 133 133 GLU H H 1 9.587 0.004 . 1 . . . . 133 GLU HN . 18026 1 298 . 1 1 133 133 GLU N N 15 120.647 0.025 . 1 . . . . 133 GLU N . 18026 1 299 . 1 1 134 134 GLU C C 13 180.037 0.000 . 1 . . . . 134 GLU C . 18026 1 300 . 1 1 134 134 GLU CA C 13 58.277 0.000 . 1 . . . . 134 GLU CA . 18026 1 301 . 1 1 134 134 GLU CB C 13 28.995 0.000 . 1 . . . . 134 GLU CB . 18026 1 302 . 1 1 134 134 GLU H H 1 7.769 0.004 . 1 . . . . 134 GLU HN . 18026 1 303 . 1 1 134 134 GLU N N 15 120.160 0.020 . 1 . . . . 134 GLU N . 18026 1 304 . 1 1 135 135 PHE C C 13 177.181 0.000 . 1 . . . . 135 PHE C . 18026 1 305 . 1 1 135 135 PHE CA C 13 60.767 0.055 . 1 . . . . 135 PHE CA . 18026 1 306 . 1 1 135 135 PHE CB C 13 38.319 0.000 . 1 . . . . 135 PHE CB . 18026 1 307 . 1 1 135 135 PHE H H 1 8.774 0.007 . 1 . . . . 135 PHE HN . 18026 1 308 . 1 1 135 135 PHE N N 15 121.458 0.060 . 1 . . . . 135 PHE N . 18026 1 309 . 1 1 136 136 THR CA C 13 67.683 0.045 . 1 . . . . 136 THR CA . 18026 1 310 . 1 1 136 136 THR H H 1 8.321 0.004 . 1 . . . . 136 THR HN . 18026 1 311 . 1 1 136 136 THR N N 15 116.666 0.056 . 1 . . . . 136 THR N . 18026 1 312 . 1 1 140 140 PHE C C 13 177.708 0.000 . 1 . . . . 140 PHE C . 18026 1 313 . 1 1 140 140 PHE CA C 13 62.774 0.000 . 1 . . . . 140 PHE CA . 18026 1 314 . 1 1 140 140 PHE CB C 13 38.131 0.000 . 1 . . . . 140 PHE CB . 18026 1 315 . 1 1 140 140 PHE H H 1 8.630 0.004 . 1 . . . . 140 PHE HN . 18026 1 316 . 1 1 140 140 PHE N N 15 119.856 0.021 . 1 . . . . 140 PHE N . 18026 1 317 . 1 1 141 141 SER C C 13 175.603 0.000 . 1 . . . . 141 SER C . 18026 1 318 . 1 1 141 141 SER CA C 13 60.711 0.000 . 1 . . . . 141 SER CA . 18026 1 319 . 1 1 141 141 SER CB C 13 62.409 0.047 . 1 . . . . 141 SER CB . 18026 1 320 . 1 1 141 141 SER H H 1 7.996 0.006 . 1 . . . . 141 SER HN . 18026 1 321 . 1 1 141 141 SER N N 15 111.245 0.038 . 1 . . . . 141 SER N . 18026 1 322 . 1 1 142 142 LYS C C 13 177.952 0.000 . 1 . . . . 142 LYS C . 18026 1 323 . 1 1 142 142 LYS CA C 13 57.331 0.020 . 1 . . . . 142 LYS CA . 18026 1 324 . 1 1 142 142 LYS CB C 13 32.389 0.141 . 1 . . . . 142 LYS CB . 18026 1 325 . 1 1 142 142 LYS H H 1 7.250 0.005 . 1 . . . . 142 LYS HN . 18026 1 326 . 1 1 142 142 LYS N N 15 118.124 0.046 . 1 . . . . 142 LYS N . 18026 1 327 . 1 1 143 143 ILE CA C 13 60.861 0.093 . 1 . . . . 143 ILE CA . 18026 1 328 . 1 1 143 143 ILE CB C 13 37.191 0.237 . 1 . . . . 143 ILE CB . 18026 1 329 . 1 1 143 143 ILE H H 1 7.687 0.009 . 1 . . . . 143 ILE HN . 18026 1 330 . 1 1 143 143 ILE N N 15 112.787 0.040 . 1 . . . . 143 ILE N . 18026 1 331 . 1 1 145 145 VAL C C 13 177.222 0.000 . 1 . . . . 145 VAL C . 18026 1 332 . 1 1 145 145 VAL CA C 13 64.582 0.055 . 1 . . . . 145 VAL CA . 18026 1 333 . 1 1 145 145 VAL CB C 13 30.755 0.170 . 1 . . . . 145 VAL CB . 18026 1 334 . 1 1 145 145 VAL H H 1 7.767 0.008 . 1 . . . . 145 VAL HN . 18026 1 335 . 1 1 145 145 VAL N N 15 123.684 0.032 . 1 . . . . 145 VAL N . 18026 1 336 . 1 1 146 146 ASN C C 13 176.586 0.000 . 1 . . . . 146 ASN C . 18026 1 337 . 1 1 146 146 ASN CA C 13 51.295 0.061 . 1 . . . . 146 ASN CA . 18026 1 338 . 1 1 146 146 ASN CB C 13 36.320 0.125 . 1 . . . . 146 ASN CB . 18026 1 339 . 1 1 146 146 ASN H H 1 7.773 0.005 . 1 . . . . 146 ASN HN . 18026 1 340 . 1 1 146 146 ASN N N 15 114.165 0.045 . 1 . . . . 146 ASN N . 18026 1 341 . 1 1 147 147 GLY C C 13 174.605 0.000 . 1 . . . . 147 GLY C . 18026 1 342 . 1 1 147 147 GLY CA C 13 46.928 0.028 . 1 . . . . 147 GLY CA . 18026 1 343 . 1 1 147 147 GLY H H 1 7.593 0.005 . 1 . . . . 147 GLY HN . 18026 1 344 . 1 1 147 147 GLY N N 15 108.400 0.034 . 1 . . . . 147 GLY N . 18026 1 345 . 1 1 148 148 ASP C C 13 177.625 0.000 . 1 . . . . 148 ASP C . 18026 1 346 . 1 1 148 148 ASP CA C 13 52.636 0.012 . 1 . . . . 148 ASP CA . 18026 1 347 . 1 1 148 148 ASP CB C 13 39.627 0.050 . 1 . . . . 148 ASP CB . 18026 1 348 . 1 1 148 148 ASP H H 1 7.963 0.004 . 1 . . . . 148 ASP HN . 18026 1 349 . 1 1 148 148 ASP N N 15 118.260 0.051 . 1 . . . . 148 ASP N . 18026 1 350 . 1 1 149 149 GLY CA C 13 45.17 0.000 . 1 . . . . 149 GLY CA . 18026 1 351 . 1 1 149 149 GLY H H 1 10.413 0.000 . 1 . . . . 149 GLY HN . 18026 1 352 . 1 1 149 149 GLY N N 15 112.677 0.025 . 1 . . . . 149 GLY N . 18026 1 353 . 1 1 150 150 GLU C C 13 174.909 0.000 . 1 . . . . 150 GLU C . 18026 1 354 . 1 1 150 150 GLU CA C 13 53.660 0.094 . 1 . . . . 150 GLU CA . 18026 1 355 . 1 1 150 150 GLU CB C 13 32.291 0.087 . 1 . . . . 150 GLU CB . 18026 1 356 . 1 1 150 150 GLU H H 1 7.978 0.006 . 1 . . . . 150 GLU HN . 18026 1 357 . 1 1 150 150 GLU N N 15 117.625 0.025 . 1 . . . . 150 GLU N . 18026 1 358 . 1 1 151 151 LEU C C 13 176.778 0.000 . 1 . . . . 151 LEU C . 18026 1 359 . 1 1 151 151 LEU CA C 13 52.145 0.000 . 1 . . . . 151 LEU CA . 18026 1 360 . 1 1 151 151 LEU CB C 13 40.373 0.000 . 1 . . . . 151 LEU CB . 18026 1 361 . 1 1 151 151 LEU H H 1 9.638 0.005 . 1 . . . . 151 LEU HN . 18026 1 362 . 1 1 151 151 LEU N N 15 124.205 0.015 . 1 . . . . 151 LEU N . 18026 1 363 . 1 1 152 152 SER C C 13 174.719 0.000 . 1 . . . . 152 SER C . 18026 1 364 . 1 1 152 152 SER CA C 13 55.777 0.000 . 1 . . . . 152 SER CA . 18026 1 365 . 1 1 152 152 SER CB C 13 64.936 0.000 . 1 . . . . 152 SER CB . 18026 1 366 . 1 1 152 152 SER H H 1 8.932 0.003 . 1 . . . . 152 SER HN . 18026 1 367 . 1 1 152 152 SER N N 15 120.394 0.055 . 1 . . . . 152 SER N . 18026 1 368 . 1 1 153 153 LEU C C 13 178.510 0.000 . 1 . . . . 153 LEU C . 18026 1 369 . 1 1 153 153 LEU CA C 13 57.940 0.000 . 1 . . . . 153 LEU CA . 18026 1 370 . 1 1 153 153 LEU CB C 13 39.361 0.133 . 1 . . . . 153 LEU CB . 18026 1 371 . 1 1 153 153 LEU H H 1 8.755 0.005 . 1 . . . . 153 LEU HN . 18026 1 372 . 1 1 153 153 LEU N N 15 123.576 0.061 . 1 . . . . 153 LEU N . 18026 1 373 . 1 1 154 154 GLU CA C 13 59.758 0.091 . 1 . . . . 154 GLU CA . 18026 1 374 . 1 1 154 154 GLU CB C 13 27.920 0.068 . 1 . . . . 154 GLU CB . 18026 1 375 . 1 1 154 154 GLU H H 1 8.545 0.003 . 1 . . . . 154 GLU HN . 18026 1 376 . 1 1 154 154 GLU N N 15 117.180 0.043 . 1 . . . . 154 GLU N . 18026 1 377 . 1 1 155 155 GLU C C 13 180.511 0.000 . 1 . . . . 155 GLU C . 18026 1 378 . 1 1 155 155 GLU CA C 13 58.130 0.000 . 1 . . . . 155 GLU CA . 18026 1 379 . 1 1 155 155 GLU H H 1 7.783 0.003 . 1 . . . . 155 GLU HN . 18026 1 380 . 1 1 155 155 GLU N N 15 118.731 0.078 . 1 . . . . 155 GLU N . 18026 1 381 . 1 1 156 156 PHE C C 13 175.976 0.000 . 1 . . . . 156 PHE C . 18026 1 382 . 1 1 156 156 PHE CA C 13 61.084 0.023 . 1 . . . . 156 PHE CA . 18026 1 383 . 1 1 156 156 PHE CB C 13 39.705 0.000 . 1 . . . . 156 PHE CB . 18026 1 384 . 1 1 156 156 PHE H H 1 8.705 0.005 . 1 . . . . 156 PHE HN . 18026 1 385 . 1 1 156 156 PHE N N 15 120.731 0.029 . 1 . . . . 156 PHE N . 18026 1 386 . 1 1 157 157 MET CA C 13 57.868 0.000 . 1 . . . . 157 MET CA . 18026 1 387 . 1 1 157 157 MET CB C 13 30.954 0.000 . 1 . . . . 157 MET CB . 18026 1 388 . 1 1 157 157 MET H H 1 8.963 0.003 . 1 . . . . 157 MET HN . 18026 1 389 . 1 1 157 157 MET N N 15 115.783 0.039 . 1 . . . . 157 MET N . 18026 1 390 . 1 1 158 158 GLU C C 13 179.102 0.000 . 1 . . . . 158 GLU C . 18026 1 391 . 1 1 158 158 GLU CA C 13 58.016 0.000 . 1 . . . . 158 GLU CA . 18026 1 392 . 1 1 158 158 GLU CB C 13 28.468 0.179 . 1 . . . . 158 GLU CB . 18026 1 393 . 1 1 158 158 GLU H H 1 8.053 0.005 . 1 . . . . 158 GLU HN . 18026 1 394 . 1 1 158 158 GLU N N 15 117.045 0.051 . 1 . . . . 158 GLU N . 18026 1 395 . 1 1 159 159 GLY CA C 13 46.511 0.063 . 1 . . . . 159 GLY CA . 18026 1 396 . 1 1 159 159 GLY H H 1 8.054 0.006 . 1 . . . . 159 GLY HN . 18026 1 397 . 1 1 159 159 GLY N N 15 105.263 0.069 . 1 . . . . 159 GLY N . 18026 1 398 . 1 1 160 160 VAL C C 13 175.945 0.000 . 1 . . . . 160 VAL C . 18026 1 399 . 1 1 160 160 VAL CA C 13 64.647 0.053 . 1 . . . . 160 VAL CA . 18026 1 400 . 1 1 160 160 VAL CB C 13 29.651 0.212 . 1 . . . . 160 VAL CB . 18026 1 401 . 1 1 160 160 VAL H H 1 7.975 0.002 . 1 . . . . 160 VAL HN . 18026 1 402 . 1 1 160 160 VAL N N 15 117.608 0.032 . 1 . . . . 160 VAL N . 18026 1 403 . 1 1 161 161 GLN C C 13 176.753 0.000 . 1 . . . . 161 GLN C . 18026 1 404 . 1 1 161 161 GLN CA C 13 57.583 0.011 . 1 . . . . 161 GLN CA . 18026 1 405 . 1 1 161 161 GLN CB C 13 28.676 0.096 . 1 . . . . 161 GLN CB . 18026 1 406 . 1 1 161 161 GLN H H 1 6.907 0.005 . 1 . . . . 161 GLN HN . 18026 1 407 . 1 1 161 161 GLN N N 15 112.357 0.049 . 1 . . . . 161 GLN N . 18026 1 408 . 1 1 162 162 LYS C C 13 175.633 0.000 . 1 . . . . 162 LYS C . 18026 1 409 . 1 1 162 162 LYS CA C 13 56.124 0.000 . 1 . . . . 162 LYS CA . 18026 1 410 . 1 1 162 162 LYS CB C 13 32.049 0.095 . 1 . . . . 162 LYS CB . 18026 1 411 . 1 1 162 162 LYS H H 1 7.155 0.006 . 1 . . . . 162 LYS HN . 18026 1 412 . 1 1 162 162 LYS N N 15 115.178 0.032 . 1 . . . . 162 LYS N . 18026 1 413 . 1 1 163 163 ASP C C 13 174.517 0.000 . 1 . . . . 163 ASP C . 18026 1 414 . 1 1 163 163 ASP CA C 13 52.376 0.006 . 1 . . . . 163 ASP CA . 18026 1 415 . 1 1 163 163 ASP CB C 13 42.068 0.113 . 1 . . . . 163 ASP CB . 18026 1 416 . 1 1 163 163 ASP H H 1 7.259 0.003 . 1 . . . . 163 ASP HN . 18026 1 417 . 1 1 163 163 ASP N N 15 120.273 0.053 . 1 . . . . 163 ASP N . 18026 1 418 . 1 1 164 164 GLN C C 13 177.583 0.000 . 1 . . . . 164 GLN C . 18026 1 419 . 1 1 164 164 GLN CA C 13 58.048 0.155 . 1 . . . . 164 GLN CA . 18026 1 420 . 1 1 164 164 GLN CB C 13 27.500 0.088 . 1 . . . . 164 GLN CB . 18026 1 421 . 1 1 164 164 GLN H H 1 8.586 0.006 . 1 . . . . 164 GLN HN . 18026 1 422 . 1 1 164 164 GLN N N 15 124.638 0.057 . 1 . . . . 164 GLN N . 18026 1 423 . 1 1 165 165 MET C C 13 179.745 0.000 . 1 . . . . 165 MET C . 18026 1 424 . 1 1 165 165 MET CA C 13 58.004 0.059 . 1 . . . . 165 MET CA . 18026 1 425 . 1 1 165 165 MET CB C 13 30.703 0.000 . 1 . . . . 165 MET CB . 18026 1 426 . 1 1 165 165 MET H H 1 8.088 0.006 . 1 . . . . 165 MET HN . 18026 1 427 . 1 1 165 165 MET N N 15 117.925 0.011 . 1 . . . . 165 MET N . 18026 1 428 . 1 1 166 166 LEU C C 13 178.247 0.000 . 1 . . . . 166 LEU C . 18026 1 429 . 1 1 166 166 LEU CA C 13 57.266 0.000 . 1 . . . . 166 LEU CA . 18026 1 430 . 1 1 166 166 LEU H H 1 8.210 0.004 . 1 . . . . 166 LEU HN . 18026 1 431 . 1 1 166 166 LEU N N 15 123.453 0.049 . 1 . . . . 166 LEU N . 18026 1 432 . 1 1 167 167 LEU C C 13 180.113 0.000 . 1 . . . . 167 LEU C . 18026 1 433 . 1 1 167 167 LEU CA C 13 58.012 0.003 . 1 . . . . 167 LEU CA . 18026 1 434 . 1 1 167 167 LEU CB C 13 39.828 0.103 . 1 . . . . 167 LEU CB . 18026 1 435 . 1 1 167 167 LEU H H 1 8.391 0.006 . 1 . . . . 167 LEU HN . 18026 1 436 . 1 1 167 167 LEU N N 15 120.490 0.050 . 1 . . . . 167 LEU N . 18026 1 437 . 1 1 168 168 ASP C C 13 178.241 0.000 . 1 . . . . 168 ASP C . 18026 1 438 . 1 1 168 168 ASP CA C 13 57.066 0.069 . 1 . . . . 168 ASP CA . 18026 1 439 . 1 1 168 168 ASP CB C 13 40.108 0.092 . 1 . . . . 168 ASP CB . 18026 1 440 . 1 1 168 168 ASP H H 1 8.537 0.007 . 1 . . . . 168 ASP HN . 18026 1 441 . 1 1 168 168 ASP N N 15 120.601 0.046 . 1 . . . . 168 ASP N . 18026 1 442 . 1 1 169 169 THR CA C 13 66.228 0.098 . 1 . . . . 169 THR CA . 18026 1 443 . 1 1 169 169 THR CB C 13 67.827 0.065 . 1 . . . . 169 THR CB . 18026 1 444 . 1 1 169 169 THR H H 1 8.023 0.006 . 1 . . . . 169 THR HN . 18026 1 445 . 1 1 169 169 THR N N 15 115.195 0.047 . 1 . . . . 169 THR N . 18026 1 446 . 1 1 170 170 LEU CA C 13 57.018 0.000 . 1 . . . . 170 LEU CA . 18026 1 447 . 1 1 170 170 LEU CB C 13 41.062 0.000 . 1 . . . . 170 LEU CB . 18026 1 448 . 1 1 170 170 LEU H H 1 8.394 0.005 . 1 . . . . 170 LEU HN . 18026 1 449 . 1 1 170 170 LEU N N 15 119.755 0.075 . 1 . . . . 170 LEU N . 18026 1 450 . 1 1 171 171 THR H H 1 8.104 0.000 . 1 . . . . 171 THR HN . 18026 1 451 . 1 1 171 171 THR N N 15 109.785 0.000 . 1 . . . . 171 THR N . 18026 1 452 . 1 1 176 176 LEU C C 13 177.983 0.000 . 1 . . . . 176 LEU C . 18026 1 453 . 1 1 176 176 LEU CA C 13 56.481 0.045 . 1 . . . . 176 LEU CA . 18026 1 454 . 1 1 176 176 LEU CB C 13 40.821 0.000 . 1 . . . . 176 LEU CB . 18026 1 455 . 1 1 176 176 LEU H H 1 8.471 0.007 . 1 . . . . 176 LEU HN . 18026 1 456 . 1 1 176 176 LEU N N 15 125.307 0.058 . 1 . . . . 176 LEU N . 18026 1 457 . 1 1 177 177 THR C C 13 176.273 0.000 . 1 . . . . 177 THR C . 18026 1 458 . 1 1 177 177 THR CA C 13 65.413 0.000 . 1 . . . . 177 THR CA . 18026 1 459 . 1 1 177 177 THR CB C 13 67.639 0.000 . 1 . . . . 177 THR CB . 18026 1 460 . 1 1 177 177 THR H H 1 8.241 0.004 . 1 . . . . 177 THR HN . 18026 1 461 . 1 1 177 177 THR N N 15 112.457 0.054 . 1 . . . . 177 THR N . 18026 1 462 . 1 1 178 178 ARG C C 13 178.378 0.000 . 1 . . . . 178 ARG C . 18026 1 463 . 1 1 178 178 ARG CA C 13 57.950 0.000 . 1 . . . . 178 ARG CA . 18026 1 464 . 1 1 178 178 ARG CB C 13 29.087 0.068 . 1 . . . . 178 ARG CB . 18026 1 465 . 1 1 178 178 ARG H H 1 7.678 0.011 . 1 . . . . 178 ARG HN . 18026 1 466 . 1 1 178 178 ARG N N 15 120.225 0.041 . 1 . . . . 178 ARG N . 18026 1 467 . 1 1 179 179 ILE C C 13 177.201 0.000 . 1 . . . . 179 ILE C . 18026 1 468 . 1 1 179 179 ILE CA C 13 63.386 0.065 . 1 . . . . 179 ILE CA . 18026 1 469 . 1 1 179 179 ILE CB C 13 37.067 0.030 . 1 . . . . 179 ILE CB . 18026 1 470 . 1 1 179 179 ILE H H 1 7.682 0.006 . 1 . . . . 179 ILE HN . 18026 1 471 . 1 1 179 179 ILE N N 15 119.058 0.025 . 1 . . . . 179 ILE N . 18026 1 472 . 1 1 180 180 VAL CA C 13 65.368 0.115 . 1 . . . . 180 VAL CA . 18026 1 473 . 1 1 180 180 VAL CB C 13 30.384 0.009 . 1 . . . . 180 VAL CB . 18026 1 474 . 1 1 180 180 VAL H H 1 8.017 0.006 . 1 . . . . 180 VAL HN . 18026 1 475 . 1 1 180 180 VAL N N 15 118.456 0.037 . 1 . . . . 180 VAL N . 18026 1 476 . 1 1 181 181 ARG C C 13 178.256 0.000 . 1 . . . . 181 ARG C . 18026 1 477 . 1 1 181 181 ARG H H 1 7.774 0.006 . 1 . . . . 181 ARG HN . 18026 1 478 . 1 1 181 181 ARG N N 15 118.896 0.010 . 1 . . . . 181 ARG N . 18026 1 479 . 1 1 182 182 ARG C C 13 178.295 0.000 . 1 . . . . 182 ARG C . 18026 1 480 . 1 1 182 182 ARG CA C 13 57.216 0.000 . 1 . . . . 182 ARG CA . 18026 1 481 . 1 1 182 182 ARG H H 1 7.745 0.005 . 1 . . . . 182 ARG HN . 18026 1 482 . 1 1 182 182 ARG N N 15 118.839 0.000 . 1 . . . . 182 ARG N . 18026 1 483 . 1 1 183 183 LEU CA C 13 56.103 0.100 . 1 . . . . 183 LEU CA . 18026 1 484 . 1 1 183 183 LEU CB C 13 40.951 0.054 . 1 . . . . 183 LEU CB . 18026 1 485 . 1 1 183 183 LEU H H 1 7.993 0.008 . 1 . . . . 183 LEU HN . 18026 1 486 . 1 1 183 183 LEU N N 15 119.455 0.021 . 1 . . . . 183 LEU N . 18026 1 487 . 1 1 184 184 GLN CA C 13 56.201 0.118 . 1 . . . . 184 GLN CA . 18026 1 488 . 1 1 184 184 GLN CB C 13 28.372 0.055 . 1 . . . . 184 GLN CB . 18026 1 489 . 1 1 184 184 GLN H H 1 7.981 0.004 . 1 . . . . 184 GLN HN . 18026 1 490 . 1 1 184 184 GLN N N 15 117.170 0.057 . 1 . . . . 184 GLN N . 18026 1 491 . 1 1 185 185 ASN C C 13 175.790 0.000 . 1 . . . . 185 ASN C . 18026 1 492 . 1 1 185 185 ASN CA C 13 52.929 0.060 . 1 . . . . 185 ASN CA . 18026 1 493 . 1 1 185 185 ASN CB C 13 38.516 0.039 . 1 . . . . 185 ASN CB . 18026 1 494 . 1 1 185 185 ASN H H 1 8.062 0.003 . 1 . . . . 185 ASN HN . 18026 1 495 . 1 1 185 185 ASN N N 15 117.268 0.019 . 1 . . . . 185 ASN N . 18026 1 496 . 1 1 186 186 GLY CA C 13 45.028 0.003 . 1 . . . . 186 GLY CA . 18026 1 497 . 1 1 186 186 GLY H H 1 8.167 0.004 . 1 . . . . 186 GLY HN . 18026 1 498 . 1 1 186 186 GLY N N 15 108.762 0.066 . 1 . . . . 186 GLY N . 18026 1 499 . 1 1 187 187 GLU C C 13 176.399 0.000 . 1 . . . . 187 GLU C . 18026 1 500 . 1 1 187 187 GLU CA C 13 56.036 0.000 . 1 . . . . 187 GLU CA . 18026 1 501 . 1 1 187 187 GLU CB C 13 29.340 0.000 . 1 . . . . 187 GLU CB . 18026 1 502 . 1 1 187 187 GLU H H 1 8.191 0.003 . 1 . . . . 187 GLU HN . 18026 1 503 . 1 1 187 187 GLU N N 15 120.171 0.036 . 1 . . . . 187 GLU N . 18026 1 504 . 1 1 188 188 GLN C C 13 175.506 0.000 . 1 . . . . 188 GLN C . 18026 1 505 . 1 1 188 188 GLN CA C 13 55.299 0.001 . 1 . . . . 188 GLN CA . 18026 1 506 . 1 1 188 188 GLN CB C 13 28.757 0.000 . 1 . . . . 188 GLN CB . 18026 1 507 . 1 1 188 188 GLN H H 1 8.234 0.004 . 1 . . . . 188 GLN HN . 18026 1 508 . 1 1 188 188 GLN N N 15 120.293 0.065 . 1 . . . . 188 GLN N . 18026 1 509 . 1 1 189 189 ASP C C 13 176.169 0.000 . 1 . . . . 189 ASP C . 18026 1 510 . 1 1 189 189 ASP CA C 13 53.772 0.025 . 1 . . . . 189 ASP CA . 18026 1 511 . 1 1 189 189 ASP CB C 13 40.457 0.061 . 1 . . . . 189 ASP CB . 18026 1 512 . 1 1 189 189 ASP H H 1 8.223 0.002 . 1 . . . . 189 ASP HN . 18026 1 513 . 1 1 189 189 ASP N N 15 121.423 0.050 . 1 . . . . 189 ASP N . 18026 1 514 . 1 1 190 190 GLU C C 13 176.691 0.000 . 1 . . . . 190 GLU C . 18026 1 515 . 1 1 190 190 GLU CA C 13 56.081 0.051 . 1 . . . . 190 GLU CA . 18026 1 516 . 1 1 190 190 GLU CB C 13 29.198 0.052 . 1 . . . . 190 GLU CB . 18026 1 517 . 1 1 190 190 GLU H H 1 8.295 0.003 . 1 . . . . 190 GLU HN . 18026 1 518 . 1 1 190 190 GLU N N 15 121.316 0.031 . 1 . . . . 190 GLU N . 18026 1 519 . 1 1 191 191 GLU C C 13 177.213 0.000 . 1 . . . . 191 GLU C . 18026 1 520 . 1 1 191 191 GLU CA C 13 56.322 0.062 . 1 . . . . 191 GLU CA . 18026 1 521 . 1 1 191 191 GLU CB C 13 29.054 0.048 . 1 . . . . 191 GLU CB . 18026 1 522 . 1 1 191 191 GLU H H 1 8.368 0.004 . 1 . . . . 191 GLU HN . 18026 1 523 . 1 1 191 191 GLU N N 15 121.736 0.051 . 1 . . . . 191 GLU N . 18026 1 524 . 1 1 192 192 GLY C C 13 174.164 0.000 . 1 . . . . 192 GLY C . 18026 1 525 . 1 1 192 192 GLY CA C 13 44.740 0.030 . 1 . . . . 192 GLY CA . 18026 1 526 . 1 1 192 192 GLY H H 1 8.286 0.006 . 1 . . . . 192 GLY HN . 18026 1 527 . 1 1 192 192 GLY N N 15 109.657 0.031 . 1 . . . . 192 GLY N . 18026 1 528 . 1 1 193 193 ALA C C 13 177.975 0.000 . 1 . . . . 193 ALA C . 18026 1 529 . 1 1 193 193 ALA CA C 13 51.987 0.032 . 1 . . . . 193 ALA CA . 18026 1 530 . 1 1 193 193 ALA CB C 13 18.201 0.089 . 1 . . . . 193 ALA CB . 18026 1 531 . 1 1 193 193 ALA H H 1 8.033 0.004 . 1 . . . . 193 ALA HN . 18026 1 532 . 1 1 193 193 ALA N N 15 123.677 0.025 . 1 . . . . 193 ALA N . 18026 1 533 . 1 1 194 194 SER C C 13 175.212 0.000 . 1 . . . . 194 SER C . 18026 1 534 . 1 1 194 194 SER CA C 13 58.045 0.003 . 1 . . . . 194 SER CA . 18026 1 535 . 1 1 194 194 SER CB C 13 63.050 0.165 . 1 . . . . 194 SER CB . 18026 1 536 . 1 1 194 194 SER H H 1 8.236 0.005 . 1 . . . . 194 SER HN . 18026 1 537 . 1 1 194 194 SER N N 15 114.762 0.044 . 1 . . . . 194 SER N . 18026 1 538 . 1 1 195 195 GLY C C 13 174.158 0.000 . 1 . . . . 195 GLY C . 18026 1 539 . 1 1 195 195 GLY CA C 13 44.749 0.036 . 1 . . . . 195 GLY CA . 18026 1 540 . 1 1 195 195 GLY H H 1 8.309 0.008 . 1 . . . . 195 GLY HN . 18026 1 541 . 1 1 195 195 GLY N N 15 110.602 0.032 . 1 . . . . 195 GLY N . 18026 1 542 . 1 1 196 196 ARG C C 13 176.429 0.000 . 1 . . . . 196 ARG C . 18026 1 543 . 1 1 196 196 ARG CA C 13 55.443 0.000 . 1 . . . . 196 ARG CA . 18026 1 544 . 1 1 196 196 ARG CB C 13 29.626 0.070 . 1 . . . . 196 ARG CB . 18026 1 545 . 1 1 196 196 ARG H H 1 8.012 0.006 . 1 . . . . 196 ARG HN . 18026 1 546 . 1 1 196 196 ARG N N 15 120.239 0.046 . 1 . . . . 196 ARG N . 18026 1 547 . 1 1 197 197 GLU C C 13 176.754 0.000 . 1 . . . . 197 GLU C . 18026 1 548 . 1 1 197 197 GLU CA C 13 56.246 0.079 . 1 . . . . 197 GLU CA . 18026 1 549 . 1 1 197 197 GLU CB C 13 28.993 0.056 . 1 . . . . 197 GLU CB . 18026 1 550 . 1 1 197 197 GLU H H 1 8.501 0.007 . 1 . . . . 197 GLU HN . 18026 1 551 . 1 1 197 197 GLU N N 15 121.801 0.022 . 1 . . . . 197 GLU N . 18026 1 552 . 1 1 198 198 THR C C 13 174.509 0.000 . 1 . . . . 198 THR C . 18026 1 553 . 1 1 198 198 THR CA C 13 61.237 0.027 . 1 . . . . 198 THR CA . 18026 1 554 . 1 1 198 198 THR CB C 13 68.927 0.042 . 1 . . . . 198 THR CB . 18026 1 555 . 1 1 198 198 THR H H 1 8.006 0.004 . 1 . . . . 198 THR HN . 18026 1 556 . 1 1 198 198 THR N N 15 114.374 0.036 . 1 . . . . 198 THR N . 18026 1 557 . 1 1 199 199 GLU C C 13 176.151 0.000 . 1 . . . . 199 GLU C . 18026 1 558 . 1 1 199 199 GLU CA C 13 55.871 0.035 . 1 . . . . 199 GLU CA . 18026 1 559 . 1 1 199 199 GLU CB C 13 29.142 0.064 . 1 . . . . 199 GLU CB . 18026 1 560 . 1 1 199 199 GLU H H 1 8.261 0.004 . 1 . . . . 199 GLU HN . 18026 1 561 . 1 1 199 199 GLU N N 15 123.118 0.037 . 1 . . . . 199 GLU N . 18026 1 562 . 1 1 200 200 ALA C C 13 177.297 0.000 . 1 . . . . 200 ALA C . 18026 1 563 . 1 1 200 200 ALA CA C 13 51.752 0.041 . 1 . . . . 200 ALA CA . 18026 1 564 . 1 1 200 200 ALA CB C 13 18.168 0.148 . 1 . . . . 200 ALA CB . 18026 1 565 . 1 1 200 200 ALA H H 1 8.146 0.007 . 1 . . . . 200 ALA HN . 18026 1 566 . 1 1 200 200 ALA N N 15 124.938 0.092 . 1 . . . . 200 ALA N . 18026 1 567 . 1 1 201 201 ALA CA C 13 51.770 0.001 . 1 . . . . 201 ALA CA . 18026 1 568 . 1 1 201 201 ALA CB C 13 18.193 0.096 . 1 . . . . 201 ALA CB . 18026 1 569 . 1 1 201 201 ALA H H 1 8.112 0.005 . 1 . . . . 201 ALA HN . 18026 1 570 . 1 1 201 201 ALA N N 15 123.227 0.043 . 1 . . . . 201 ALA N . 18026 1 571 . 1 1 202 202 GLU CA C 13 55.692 0.000 . 1 . . . . 202 GLU CA . 18026 1 572 . 1 1 202 202 GLU CB C 13 29.133 0.070 . 1 . . . . 202 GLU CB . 18026 1 573 . 1 1 202 202 GLU H H 1 8.173 0.006 . 1 . . . . 202 GLU HN . 18026 1 574 . 1 1 202 202 GLU N N 15 119.823 0.020 . 1 . . . . 202 GLU N . 18026 1 575 . 1 1 203 203 ALA CA C 13 51.842 0.000 . 1 . . . . 203 ALA CA . 18026 1 576 . 1 1 203 203 ALA CB C 13 18.194 0.000 . 1 . . . . 203 ALA CB . 18026 1 577 . 1 1 203 203 ALA H H 1 8.134 0.001 . 1 . . . . 203 ALA HN . 18026 1 578 . 1 1 203 203 ALA N N 15 124.590 0.059 . 1 . . . . 203 ALA N . 18026 1 579 . 1 1 204 204 ASP C C 13 175.563 0.000 . 1 . . . . 204 ASP C . 18026 1 580 . 1 1 204 204 ASP CA C 13 53.612 0.000 . 1 . . . . 204 ASP CA . 18026 1 581 . 1 1 204 204 ASP CB C 13 40.536 0.000 . 1 . . . . 204 ASP CB . 18026 1 582 . 1 1 204 204 ASP H H 1 8.160 0.002 . 1 . . . . 204 ASP HN . 18026 1 583 . 1 1 204 204 ASP N N 15 119.845 0.002 . 1 . . . . 204 ASP N . 18026 1 584 . 1 1 205 205 GLY CA C 13 45.577 0.007 . 1 . . . . 205 GLY CA . 18026 1 585 . 1 1 205 205 GLY H H 1 7.724 0.005 . 1 . . . . 205 GLY HN . 18026 1 586 . 1 1 205 205 GLY N N 15 114.996 0.026 . 1 . . . . 205 GLY N . 18026 1 stop_ save_