data_17190 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17190 _Entry.Title ; Complex Pfu Rpp30 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-13 _Entry.Accession_date 2010-09-13 _Entry.Last_release_date 2012-05-22 _Entry.Original_release_date 2012-05-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Pfu Rpp30 labeled with unlabeled Pfu Pop5' _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 Brandon Crowe . L. . 17190 2 Mark Foster . P. . 17190 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17190 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 465 17190 '15N chemical shifts' 180 17190 '1H chemical shifts' 180 17190 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-05-22 2010-09-13 original author . 17190 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17189 'Free RPP30' 17190 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17190 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22162665 _Citation.Full_citation . _Citation.Title 'Assembly of the complex between archaeal RNase P proteins RPP30 and Pop5.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Archaea _Citation.Journal_name_full 'Archaea (Vancouver, B.C.)' _Citation.Journal_volume 2011 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 891531 _Citation.Page_last 891531 _Citation.Year 2011 _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 Brandon Crowe . L. . 17190 1 2 Christopher Bohlen . J. . 17190 1 3 Ross Wilson . C. . 17190 1 4 Venkat Gopalan . . . 17190 1 5 Mark Foster . P. . 17190 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Archaea 17190 1 'Chemical Shift Perturbations' 17190 1 ITC 17190 1 NMR 17190 1 Pop5 17190 1 'Protein protein interaction' 17190 1 'Pyrococcus furiosis' 17190 1 'RNase P' 17190 1 RPP30 17190 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17190 _Assembly.ID 1 _Assembly.Name 'Complex Rpp30' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _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 . _Assembly.Molecular_mass 76000 _Assembly.Enzyme_commission_number . _Assembly.Details 'Unlabeled Pop5 with Labeled Rpp30' _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 Rpp30 1 $Rpp30 A . yes native yes no . . . 17190 1 2 Pop5 2 $Pop5 B . no native no no . . . 17190 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'RNase P protein subunits' 17190 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rpp30 _Entity.Sf_category entity _Entity.Sf_framecode Rpp30 _Entity.Entry_ID 17190 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rpp30 _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 ; GEFMAGGRNGVKFVEMDIRS REAYELAEEWFDDVVFSYEI PPGVLDKERLKEIKKEYGNV AITLINPKPSLVKEAVQRFK QNYLIYVESSDLRVVRYSIE RGVDAVISPWANRKDQGIDH VLARMMNKRGVALGFSLRPL LHQNPYERANALKFMRKAWT LVNKYKVPRFISSSAKGKFQ VRGVKELISLGIAIGMEEVQ AKASLSFYPLGILERLK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -3, G -2, E -1, F 1, M count up from M ; _Entity.Polymer_author_seq_details 'Pfu Rpp30 native with 3 residues as artifact from cleavage of affinity tag.' _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 217 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 BMRB 17189 . Rpp30 . . . . . 100.00 217 100.00 100.00 4.15e-154 . . . . 17190 1 2 no GB AAL82038 . "hypothetical protein PF1914 [Pyrococcus furiosus DSM 3638]" . . . . . 98.62 214 100.00 100.00 9.45e-152 . . . . 17190 1 3 no GB AFN04726 . "ribonuclease P protein component 3 [Pyrococcus furiosus COM1]" . . . . . 95.39 207 99.52 100.00 2.32e-145 . . . . 17190 1 4 no REF WP_011013054 . "ribonuclease P [Pyrococcus furiosus]" . . . . . 98.62 214 100.00 100.00 9.45e-152 . . . . 17190 1 5 no SP Q8TZS0 . "RecName: Full=Ribonuclease P protein component 3; Short=RNase P component 3; AltName: Full=Rpp30" . . . . . 98.62 214 100.00 100.00 9.45e-152 . . . . 17190 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'RNase P protein subunit' 17190 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 -3 GLY . 17190 1 2 -2 GLU . 17190 1 3 -1 PHE . 17190 1 4 1 MET . 17190 1 5 2 ALA . 17190 1 6 3 GLY . 17190 1 7 4 GLY . 17190 1 8 5 ARG . 17190 1 9 6 ASN . 17190 1 10 7 GLY . 17190 1 11 8 VAL . 17190 1 12 9 LYS . 17190 1 13 10 PHE . 17190 1 14 11 VAL . 17190 1 15 12 GLU . 17190 1 16 13 MET . 17190 1 17 14 ASP . 17190 1 18 15 ILE . 17190 1 19 16 ARG . 17190 1 20 17 SER . 17190 1 21 18 ARG . 17190 1 22 19 GLU . 17190 1 23 20 ALA . 17190 1 24 21 TYR . 17190 1 25 22 GLU . 17190 1 26 23 LEU . 17190 1 27 24 ALA . 17190 1 28 25 GLU . 17190 1 29 26 GLU . 17190 1 30 27 TRP . 17190 1 31 28 PHE . 17190 1 32 29 ASP . 17190 1 33 30 ASP . 17190 1 34 31 VAL . 17190 1 35 32 VAL . 17190 1 36 33 PHE . 17190 1 37 34 SER . 17190 1 38 35 TYR . 17190 1 39 36 GLU . 17190 1 40 37 ILE . 17190 1 41 38 PRO . 17190 1 42 39 PRO . 17190 1 43 40 GLY . 17190 1 44 41 VAL . 17190 1 45 42 LEU . 17190 1 46 43 ASP . 17190 1 47 44 LYS . 17190 1 48 45 GLU . 17190 1 49 46 ARG . 17190 1 50 47 LEU . 17190 1 51 48 LYS . 17190 1 52 49 GLU . 17190 1 53 50 ILE . 17190 1 54 51 LYS . 17190 1 55 52 LYS . 17190 1 56 53 GLU . 17190 1 57 54 TYR . 17190 1 58 55 GLY . 17190 1 59 56 ASN . 17190 1 60 57 VAL . 17190 1 61 58 ALA . 17190 1 62 59 ILE . 17190 1 63 60 THR . 17190 1 64 61 LEU . 17190 1 65 62 ILE . 17190 1 66 63 ASN . 17190 1 67 64 PRO . 17190 1 68 65 LYS . 17190 1 69 66 PRO . 17190 1 70 67 SER . 17190 1 71 68 LEU . 17190 1 72 69 VAL . 17190 1 73 70 LYS . 17190 1 74 71 GLU . 17190 1 75 72 ALA . 17190 1 76 73 VAL . 17190 1 77 74 GLN . 17190 1 78 75 ARG . 17190 1 79 76 PHE . 17190 1 80 77 LYS . 17190 1 81 78 GLN . 17190 1 82 79 ASN . 17190 1 83 80 TYR . 17190 1 84 81 LEU . 17190 1 85 82 ILE . 17190 1 86 83 TYR . 17190 1 87 84 VAL . 17190 1 88 85 GLU . 17190 1 89 86 SER . 17190 1 90 87 SER . 17190 1 91 88 ASP . 17190 1 92 89 LEU . 17190 1 93 90 ARG . 17190 1 94 91 VAL . 17190 1 95 92 VAL . 17190 1 96 93 ARG . 17190 1 97 94 TYR . 17190 1 98 95 SER . 17190 1 99 96 ILE . 17190 1 100 97 GLU . 17190 1 101 98 ARG . 17190 1 102 99 GLY . 17190 1 103 100 VAL . 17190 1 104 101 ASP . 17190 1 105 102 ALA . 17190 1 106 103 VAL . 17190 1 107 104 ILE . 17190 1 108 105 SER . 17190 1 109 106 PRO . 17190 1 110 107 TRP . 17190 1 111 108 ALA . 17190 1 112 109 ASN . 17190 1 113 110 ARG . 17190 1 114 111 LYS . 17190 1 115 112 ASP . 17190 1 116 113 GLN . 17190 1 117 114 GLY . 17190 1 118 115 ILE . 17190 1 119 116 ASP . 17190 1 120 117 HIS . 17190 1 121 118 VAL . 17190 1 122 119 LEU . 17190 1 123 120 ALA . 17190 1 124 121 ARG . 17190 1 125 122 MET . 17190 1 126 123 MET . 17190 1 127 124 ASN . 17190 1 128 125 LYS . 17190 1 129 126 ARG . 17190 1 130 127 GLY . 17190 1 131 128 VAL . 17190 1 132 129 ALA . 17190 1 133 130 LEU . 17190 1 134 131 GLY . 17190 1 135 132 PHE . 17190 1 136 133 SER . 17190 1 137 134 LEU . 17190 1 138 135 ARG . 17190 1 139 136 PRO . 17190 1 140 137 LEU . 17190 1 141 138 LEU . 17190 1 142 139 HIS . 17190 1 143 140 GLN . 17190 1 144 141 ASN . 17190 1 145 142 PRO . 17190 1 146 143 TYR . 17190 1 147 144 GLU . 17190 1 148 145 ARG . 17190 1 149 146 ALA . 17190 1 150 147 ASN . 17190 1 151 148 ALA . 17190 1 152 149 LEU . 17190 1 153 150 LYS . 17190 1 154 151 PHE . 17190 1 155 152 MET . 17190 1 156 153 ARG . 17190 1 157 154 LYS . 17190 1 158 155 ALA . 17190 1 159 156 TRP . 17190 1 160 157 THR . 17190 1 161 158 LEU . 17190 1 162 159 VAL . 17190 1 163 160 ASN . 17190 1 164 161 LYS . 17190 1 165 162 TYR . 17190 1 166 163 LYS . 17190 1 167 164 VAL . 17190 1 168 165 PRO . 17190 1 169 166 ARG . 17190 1 170 167 PHE . 17190 1 171 168 ILE . 17190 1 172 169 SER . 17190 1 173 170 SER . 17190 1 174 171 SER . 17190 1 175 172 ALA . 17190 1 176 173 LYS . 17190 1 177 174 GLY . 17190 1 178 175 LYS . 17190 1 179 176 PHE . 17190 1 180 177 GLN . 17190 1 181 178 VAL . 17190 1 182 179 ARG . 17190 1 183 180 GLY . 17190 1 184 181 VAL . 17190 1 185 182 LYS . 17190 1 186 183 GLU . 17190 1 187 184 LEU . 17190 1 188 185 ILE . 17190 1 189 186 SER . 17190 1 190 187 LEU . 17190 1 191 188 GLY . 17190 1 192 189 ILE . 17190 1 193 190 ALA . 17190 1 194 191 ILE . 17190 1 195 192 GLY . 17190 1 196 193 MET . 17190 1 197 194 GLU . 17190 1 198 195 GLU . 17190 1 199 196 VAL . 17190 1 200 197 GLN . 17190 1 201 198 ALA . 17190 1 202 199 LYS . 17190 1 203 200 ALA . 17190 1 204 201 SER . 17190 1 205 202 LEU . 17190 1 206 203 SER . 17190 1 207 204 PHE . 17190 1 208 205 TYR . 17190 1 209 206 PRO . 17190 1 210 207 LEU . 17190 1 211 208 GLY . 17190 1 212 209 ILE . 17190 1 213 210 LEU . 17190 1 214 211 GLU . 17190 1 215 212 ARG . 17190 1 216 213 LEU . 17190 1 217 214 LYS . 17190 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 . GLY 1 1 17190 1 . GLU 2 2 17190 1 . PHE 3 3 17190 1 . MET 4 4 17190 1 . ALA 5 5 17190 1 . GLY 6 6 17190 1 . GLY 7 7 17190 1 . ARG 8 8 17190 1 . ASN 9 9 17190 1 . GLY 10 10 17190 1 . VAL 11 11 17190 1 . LYS 12 12 17190 1 . PHE 13 13 17190 1 . VAL 14 14 17190 1 . GLU 15 15 17190 1 . MET 16 16 17190 1 . ASP 17 17 17190 1 . ILE 18 18 17190 1 . ARG 19 19 17190 1 . SER 20 20 17190 1 . ARG 21 21 17190 1 . GLU 22 22 17190 1 . ALA 23 23 17190 1 . TYR 24 24 17190 1 . GLU 25 25 17190 1 . LEU 26 26 17190 1 . ALA 27 27 17190 1 . GLU 28 28 17190 1 . GLU 29 29 17190 1 . TRP 30 30 17190 1 . PHE 31 31 17190 1 . ASP 32 32 17190 1 . ASP 33 33 17190 1 . VAL 34 34 17190 1 . VAL 35 35 17190 1 . PHE 36 36 17190 1 . SER 37 37 17190 1 . TYR 38 38 17190 1 . GLU 39 39 17190 1 . ILE 40 40 17190 1 . PRO 41 41 17190 1 . PRO 42 42 17190 1 . GLY 43 43 17190 1 . VAL 44 44 17190 1 . LEU 45 45 17190 1 . ASP 46 46 17190 1 . LYS 47 47 17190 1 . GLU 48 48 17190 1 . ARG 49 49 17190 1 . LEU 50 50 17190 1 . LYS 51 51 17190 1 . GLU 52 52 17190 1 . ILE 53 53 17190 1 . LYS 54 54 17190 1 . LYS 55 55 17190 1 . GLU 56 56 17190 1 . TYR 57 57 17190 1 . GLY 58 58 17190 1 . ASN 59 59 17190 1 . VAL 60 60 17190 1 . ALA 61 61 17190 1 . ILE 62 62 17190 1 . THR 63 63 17190 1 . LEU 64 64 17190 1 . ILE 65 65 17190 1 . ASN 66 66 17190 1 . PRO 67 67 17190 1 . LYS 68 68 17190 1 . PRO 69 69 17190 1 . SER 70 70 17190 1 . LEU 71 71 17190 1 . VAL 72 72 17190 1 . LYS 73 73 17190 1 . GLU 74 74 17190 1 . ALA 75 75 17190 1 . VAL 76 76 17190 1 . GLN 77 77 17190 1 . ARG 78 78 17190 1 . PHE 79 79 17190 1 . LYS 80 80 17190 1 . GLN 81 81 17190 1 . ASN 82 82 17190 1 . TYR 83 83 17190 1 . LEU 84 84 17190 1 . ILE 85 85 17190 1 . TYR 86 86 17190 1 . VAL 87 87 17190 1 . GLU 88 88 17190 1 . SER 89 89 17190 1 . SER 90 90 17190 1 . ASP 91 91 17190 1 . LEU 92 92 17190 1 . ARG 93 93 17190 1 . VAL 94 94 17190 1 . VAL 95 95 17190 1 . ARG 96 96 17190 1 . TYR 97 97 17190 1 . SER 98 98 17190 1 . ILE 99 99 17190 1 . GLU 100 100 17190 1 . ARG 101 101 17190 1 . GLY 102 102 17190 1 . VAL 103 103 17190 1 . ASP 104 104 17190 1 . ALA 105 105 17190 1 . VAL 106 106 17190 1 . ILE 107 107 17190 1 . SER 108 108 17190 1 . PRO 109 109 17190 1 . TRP 110 110 17190 1 . ALA 111 111 17190 1 . ASN 112 112 17190 1 . ARG 113 113 17190 1 . LYS 114 114 17190 1 . ASP 115 115 17190 1 . GLN 116 116 17190 1 . GLY 117 117 17190 1 . ILE 118 118 17190 1 . ASP 119 119 17190 1 . HIS 120 120 17190 1 . VAL 121 121 17190 1 . LEU 122 122 17190 1 . ALA 123 123 17190 1 . ARG 124 124 17190 1 . MET 125 125 17190 1 . MET 126 126 17190 1 . ASN 127 127 17190 1 . LYS 128 128 17190 1 . ARG 129 129 17190 1 . GLY 130 130 17190 1 . VAL 131 131 17190 1 . ALA 132 132 17190 1 . LEU 133 133 17190 1 . GLY 134 134 17190 1 . PHE 135 135 17190 1 . SER 136 136 17190 1 . LEU 137 137 17190 1 . ARG 138 138 17190 1 . PRO 139 139 17190 1 . LEU 140 140 17190 1 . LEU 141 141 17190 1 . HIS 142 142 17190 1 . GLN 143 143 17190 1 . ASN 144 144 17190 1 . PRO 145 145 17190 1 . TYR 146 146 17190 1 . GLU 147 147 17190 1 . ARG 148 148 17190 1 . ALA 149 149 17190 1 . ASN 150 150 17190 1 . ALA 151 151 17190 1 . LEU 152 152 17190 1 . LYS 153 153 17190 1 . PHE 154 154 17190 1 . MET 155 155 17190 1 . ARG 156 156 17190 1 . LYS 157 157 17190 1 . ALA 158 158 17190 1 . TRP 159 159 17190 1 . THR 160 160 17190 1 . LEU 161 161 17190 1 . VAL 162 162 17190 1 . ASN 163 163 17190 1 . LYS 164 164 17190 1 . TYR 165 165 17190 1 . LYS 166 166 17190 1 . VAL 167 167 17190 1 . PRO 168 168 17190 1 . ARG 169 169 17190 1 . PHE 170 170 17190 1 . ILE 171 171 17190 1 . SER 172 172 17190 1 . SER 173 173 17190 1 . SER 174 174 17190 1 . ALA 175 175 17190 1 . LYS 176 176 17190 1 . GLY 177 177 17190 1 . LYS 178 178 17190 1 . PHE 179 179 17190 1 . GLN 180 180 17190 1 . VAL 181 181 17190 1 . ARG 182 182 17190 1 . GLY 183 183 17190 1 . VAL 184 184 17190 1 . LYS 185 185 17190 1 . GLU 186 186 17190 1 . LEU 187 187 17190 1 . ILE 188 188 17190 1 . SER 189 189 17190 1 . LEU 190 190 17190 1 . GLY 191 191 17190 1 . ILE 192 192 17190 1 . ALA 193 193 17190 1 . ILE 194 194 17190 1 . GLY 195 195 17190 1 . MET 196 196 17190 1 . GLU 197 197 17190 1 . GLU 198 198 17190 1 . VAL 199 199 17190 1 . GLN 200 200 17190 1 . ALA 201 201 17190 1 . LYS 202 202 17190 1 . ALA 203 203 17190 1 . SER 204 204 17190 1 . LEU 205 205 17190 1 . SER 206 206 17190 1 . PHE 207 207 17190 1 . TYR 208 208 17190 1 . PRO 209 209 17190 1 . LEU 210 210 17190 1 . GLY 211 211 17190 1 . ILE 212 212 17190 1 . LEU 213 213 17190 1 . GLU 214 214 17190 1 . ARG 215 215 17190 1 . LEU 216 216 17190 1 . LYS 217 217 17190 1 stop_ save_ save_Pop5 _Entity.Sf_category entity _Entity.Sf_framecode Pop5 _Entity.Entry_ID 17190 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Pop5 _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 ; MSERPKTLPPTLRDKKRYIA FKVISENQFNKDEIKEAIWN ACLRTLGELGTAKAKPWLIK FDETTQTGIIRSDRNHVYDV IFSLTLVSDINGNKAIIKVL GVSGTIKRLKRKFLSQFGWR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Pop5 from Pfu with C72S mutation' _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C72S _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 2015-01-30 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 BMRB 6917 . Pfu_pop5 . . . . . 100.00 120 100.00 100.00 4.81e-81 . . . . 17190 2 2 no PDB 2AV5 . "Crystal Structure Of Pyrococcus Furiosus Pop5, An Archaeal Ribonuclease P Protein" . . . . . 100.00 120 100.00 100.00 4.81e-81 . . . . 17190 2 3 no GB AAL81502 . "hypothetical protein PF1378 [Pyrococcus furiosus DSM 3638]" . . . . . 100.00 120 99.17 99.17 3.70e-80 . . . . 17190 2 4 no GB AFN04159 . "ribonuclease P protein component 2 [Pyrococcus furiosus COM1]" . . . . . 100.00 120 99.17 99.17 3.70e-80 . . . . 17190 2 5 no REF NP_579107 . "ribonuclease P protein component 2 [Pyrococcus furiosus DSM 3638]" . . . . . 100.00 120 99.17 99.17 3.70e-80 . . . . 17190 2 6 no REF WP_011012525 . "ribonuclease P [Pyrococcus furiosus]" . . . . . 100.00 120 99.17 99.17 3.70e-80 . . . . 17190 2 7 no REF YP_006492451 . "ribonuclease P protein component 2 [Pyrococcus furiosus COM1]" . . . . . 100.00 120 99.17 99.17 3.70e-80 . . . . 17190 2 8 no SP Q8U151 . "RecName: Full=Ribonuclease P protein component 2; Short=RNase P component 2; AltName: Full=Pop5 [Pyrococcus furiosus DSM 3638]" . . . . . 100.00 120 99.17 99.17 3.70e-80 . . . . 17190 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'RNase P protein subunit' 17190 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17190 2 2 . SER . 17190 2 3 . GLU . 17190 2 4 . ARG . 17190 2 5 . PRO . 17190 2 6 . LYS . 17190 2 7 . THR . 17190 2 8 . LEU . 17190 2 9 . PRO . 17190 2 10 . PRO . 17190 2 11 . THR . 17190 2 12 . LEU . 17190 2 13 . ARG . 17190 2 14 . ASP . 17190 2 15 . LYS . 17190 2 16 . LYS . 17190 2 17 . ARG . 17190 2 18 . TYR . 17190 2 19 . ILE . 17190 2 20 . ALA . 17190 2 21 . PHE . 17190 2 22 . LYS . 17190 2 23 . VAL . 17190 2 24 . ILE . 17190 2 25 . SER . 17190 2 26 . GLU . 17190 2 27 . ASN . 17190 2 28 . GLN . 17190 2 29 . PHE . 17190 2 30 . ASN . 17190 2 31 . LYS . 17190 2 32 . ASP . 17190 2 33 . GLU . 17190 2 34 . ILE . 17190 2 35 . LYS . 17190 2 36 . GLU . 17190 2 37 . ALA . 17190 2 38 . ILE . 17190 2 39 . TRP . 17190 2 40 . ASN . 17190 2 41 . ALA . 17190 2 42 . CYS . 17190 2 43 . LEU . 17190 2 44 . ARG . 17190 2 45 . THR . 17190 2 46 . LEU . 17190 2 47 . GLY . 17190 2 48 . GLU . 17190 2 49 . LEU . 17190 2 50 . GLY . 17190 2 51 . THR . 17190 2 52 . ALA . 17190 2 53 . LYS . 17190 2 54 . ALA . 17190 2 55 . LYS . 17190 2 56 . PRO . 17190 2 57 . TRP . 17190 2 58 . LEU . 17190 2 59 . ILE . 17190 2 60 . LYS . 17190 2 61 . PHE . 17190 2 62 . ASP . 17190 2 63 . GLU . 17190 2 64 . THR . 17190 2 65 . THR . 17190 2 66 . GLN . 17190 2 67 . THR . 17190 2 68 . GLY . 17190 2 69 . ILE . 17190 2 70 . ILE . 17190 2 71 . ARG . 17190 2 72 . SER . 17190 2 73 . ASP . 17190 2 74 . ARG . 17190 2 75 . ASN . 17190 2 76 . HIS . 17190 2 77 . VAL . 17190 2 78 . TYR . 17190 2 79 . ASP . 17190 2 80 . VAL . 17190 2 81 . ILE . 17190 2 82 . PHE . 17190 2 83 . SER . 17190 2 84 . LEU . 17190 2 85 . THR . 17190 2 86 . LEU . 17190 2 87 . VAL . 17190 2 88 . SER . 17190 2 89 . ASP . 17190 2 90 . ILE . 17190 2 91 . ASN . 17190 2 92 . GLY . 17190 2 93 . ASN . 17190 2 94 . LYS . 17190 2 95 . ALA . 17190 2 96 . ILE . 17190 2 97 . ILE . 17190 2 98 . LYS . 17190 2 99 . VAL . 17190 2 100 . LEU . 17190 2 101 . GLY . 17190 2 102 . VAL . 17190 2 103 . SER . 17190 2 104 . GLY . 17190 2 105 . THR . 17190 2 106 . ILE . 17190 2 107 . LYS . 17190 2 108 . ARG . 17190 2 109 . LEU . 17190 2 110 . LYS . 17190 2 111 . ARG . 17190 2 112 . LYS . 17190 2 113 . PHE . 17190 2 114 . LEU . 17190 2 115 . SER . 17190 2 116 . GLN . 17190 2 117 . PHE . 17190 2 118 . GLY . 17190 2 119 . TRP . 17190 2 120 . ARG . 17190 2 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 17190 2 . SER 2 2 17190 2 . GLU 3 3 17190 2 . ARG 4 4 17190 2 . PRO 5 5 17190 2 . LYS 6 6 17190 2 . THR 7 7 17190 2 . LEU 8 8 17190 2 . PRO 9 9 17190 2 . PRO 10 10 17190 2 . THR 11 11 17190 2 . LEU 12 12 17190 2 . ARG 13 13 17190 2 . ASP 14 14 17190 2 . LYS 15 15 17190 2 . LYS 16 16 17190 2 . ARG 17 17 17190 2 . TYR 18 18 17190 2 . ILE 19 19 17190 2 . ALA 20 20 17190 2 . PHE 21 21 17190 2 . LYS 22 22 17190 2 . VAL 23 23 17190 2 . ILE 24 24 17190 2 . SER 25 25 17190 2 . GLU 26 26 17190 2 . ASN 27 27 17190 2 . GLN 28 28 17190 2 . PHE 29 29 17190 2 . ASN 30 30 17190 2 . LYS 31 31 17190 2 . ASP 32 32 17190 2 . GLU 33 33 17190 2 . ILE 34 34 17190 2 . LYS 35 35 17190 2 . GLU 36 36 17190 2 . ALA 37 37 17190 2 . ILE 38 38 17190 2 . TRP 39 39 17190 2 . ASN 40 40 17190 2 . ALA 41 41 17190 2 . CYS 42 42 17190 2 . LEU 43 43 17190 2 . ARG 44 44 17190 2 . THR 45 45 17190 2 . LEU 46 46 17190 2 . GLY 47 47 17190 2 . GLU 48 48 17190 2 . LEU 49 49 17190 2 . GLY 50 50 17190 2 . THR 51 51 17190 2 . ALA 52 52 17190 2 . LYS 53 53 17190 2 . ALA 54 54 17190 2 . LYS 55 55 17190 2 . PRO 56 56 17190 2 . TRP 57 57 17190 2 . LEU 58 58 17190 2 . ILE 59 59 17190 2 . LYS 60 60 17190 2 . PHE 61 61 17190 2 . ASP 62 62 17190 2 . GLU 63 63 17190 2 . THR 64 64 17190 2 . THR 65 65 17190 2 . GLN 66 66 17190 2 . THR 67 67 17190 2 . GLY 68 68 17190 2 . ILE 69 69 17190 2 . ILE 70 70 17190 2 . ARG 71 71 17190 2 . SER 72 72 17190 2 . ASP 73 73 17190 2 . ARG 74 74 17190 2 . ASN 75 75 17190 2 . HIS 76 76 17190 2 . VAL 77 77 17190 2 . TYR 78 78 17190 2 . ASP 79 79 17190 2 . VAL 80 80 17190 2 . ILE 81 81 17190 2 . PHE 82 82 17190 2 . SER 83 83 17190 2 . LEU 84 84 17190 2 . THR 85 85 17190 2 . LEU 86 86 17190 2 . VAL 87 87 17190 2 . SER 88 88 17190 2 . ASP 89 89 17190 2 . ILE 90 90 17190 2 . ASN 91 91 17190 2 . GLY 92 92 17190 2 . ASN 93 93 17190 2 . LYS 94 94 17190 2 . ALA 95 95 17190 2 . ILE 96 96 17190 2 . ILE 97 97 17190 2 . LYS 98 98 17190 2 . VAL 99 99 17190 2 . LEU 100 100 17190 2 . GLY 101 101 17190 2 . VAL 102 102 17190 2 . SER 103 103 17190 2 . GLY 104 104 17190 2 . THR 105 105 17190 2 . ILE 106 106 17190 2 . LYS 107 107 17190 2 . ARG 108 108 17190 2 . LEU 109 109 17190 2 . LYS 110 110 17190 2 . ARG 111 111 17190 2 . LYS 112 112 17190 2 . PHE 113 113 17190 2 . LEU 114 114 17190 2 . SER 115 115 17190 2 . GLN 116 116 17190 2 . PHE 117 117 17190 2 . GLY 118 118 17190 2 . TRP 119 119 17190 2 . ARG 120 120 17190 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 17190 _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 $Rpp30 . 2261 organism . 'Pyrococcus furiosus' 'Pyrococcus furiosus' . . Archaea . Pyrococcus furiosus . . . . . . . . . . . . . . . . . . . . . 17190 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 17190 _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 $Rpp30 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' Rosetta . . . . . . . . . . . . . . pET33b . . . 'Rpp30 from Pfu cloned into pET33b plasmid' . . 17190 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17190 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Rpp30 '[U-100% 13C; U-100% 15N]' . . 1 $Rpp30 . . 450 . . uM . . . . 17190 1 2 Pop5 'natural abundance' . . 2 $Pop5 . . 450 . . uM . . . . 17190 1 3 DSS 'natural abundance' . . . . . . 66.67 . . uM . . . . 17190 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17190 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17190 1 6 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 17190 1 7 'Sodium Azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17190 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17190 _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 pH 4.0 . pH 17190 1 pressure 1 . atm 17190 1 temperature 328 . K 17190 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17190 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17190 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17190 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17190 _Software.ID 2 _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' . . 17190 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17190 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17190 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17190 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17190 3 'data analysis' 17190 3 'peak picking' 17190 3 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 17190 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 17190 _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 DRX . 600 . . . 17190 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 17190 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17190 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17190 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17190 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17190 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17190 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 17190 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'referenced with DSS' 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 . . . . . . . . . 17190 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17190 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17190 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 17190 _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' . . . 17190 1 2 '3D CBCA(CO)NH' . . . 17190 1 3 '3D HNCO' . . . 17190 1 4 '3D HNCA' . . . 17190 1 5 '3D HN(CO)CA' . . . 17190 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 4 4 MET C C 13 175.3570 0.078 . 1 . . . . 1 MET C . 17190 1 2 . 1 1 4 4 MET CA C 13 55.4418 0.078 . 1 . . . . 1 MET CA . 17190 1 3 . 1 1 4 4 MET CB C 13 33.2450 0.078 . 1 . . . . 1 MET CB . 17190 1 4 . 1 1 4 4 MET N N 15 121.9200 0.120 . 1 . . . . 1 MET N . 17190 1 5 . 1 1 5 5 ALA H H 1 8.0660 0.010 . 1 . . . . 2 ALA HN . 17190 1 6 . 1 1 5 5 ALA C C 13 177.6040 0.078 . 1 . . . . 2 ALA C . 17190 1 7 . 1 1 5 5 ALA CA C 13 52.8098 0.078 . 1 . . . . 2 ALA CA . 17190 1 8 . 1 1 5 5 ALA CB C 13 19.3857 0.078 . 1 . . . . 2 ALA CB . 17190 1 9 . 1 1 5 5 ALA N N 15 124.7060 0.120 . 1 . . . . 2 ALA N . 17190 1 10 . 1 1 6 6 GLY H H 1 8.3890 0.010 . 1 . . . . 3 GLY HN . 17190 1 11 . 1 1 6 6 GLY C C 13 174.7920 0.078 . 1 . . . . 3 GLY C . 17190 1 12 . 1 1 6 6 GLY CA C 13 45.4944 0.078 . 1 . . . . 3 GLY CA . 17190 1 13 . 1 1 6 6 GLY N N 15 108.7120 0.120 . 1 . . . . 3 GLY N . 17190 1 14 . 1 1 7 7 GLY H H 1 8.1590 0.010 . 1 . . . . 4 GLY HN . 17190 1 15 . 1 1 7 7 GLY C C 13 173.9410 0.078 . 1 . . . . 4 GLY C . 17190 1 16 . 1 1 7 7 GLY CA C 13 45.3692 0.078 . 1 . . . . 4 GLY CA . 17190 1 17 . 1 1 7 7 GLY N N 15 108.3020 0.120 . 1 . . . . 4 GLY N . 17190 1 18 . 1 1 8 8 ARG H H 1 8.1110 0.010 . 1 . . . . 5 ARG HN . 17190 1 19 . 1 1 8 8 ARG C C 13 175.2050 0.078 . 1 . . . . 5 ARG C . 17190 1 20 . 1 1 8 8 ARG CA C 13 56.1514 0.078 . 1 . . . . 5 ARG CA . 17190 1 21 . 1 1 8 8 ARG CB C 13 31.0854 0.078 . 1 . . . . 5 ARG CB . 17190 1 22 . 1 1 8 8 ARG N N 15 120.2130 0.120 . 1 . . . . 5 ARG N . 17190 1 23 . 1 1 9 9 ASN H H 1 8.0050 0.010 . 1 . . . . 6 ASN HN . 17190 1 24 . 1 1 9 9 ASN CA C 13 54.1750 0.078 . 1 . . . . 6 ASN CA . 17190 1 25 . 1 1 9 9 ASN CB C 13 39.2362 0.078 . 1 . . . . 6 ASN CB . 17190 1 26 . 1 1 9 9 ASN N N 15 125.0100 0.120 . 1 . . . . 6 ASN N . 17190 1 27 . 1 1 10 10 GLY H H 1 8.0800 0.010 . 1 . . . . 7 GLY HN . 17190 1 28 . 1 1 10 10 GLY C C 13 173.5260 0.078 . 1 . . . . 7 GLY C . 17190 1 29 . 1 1 10 10 GLY CA C 13 45.4995 0.078 . 1 . . . . 7 GLY CA . 17190 1 30 . 1 1 10 10 GLY N N 15 108.7160 0.120 . 1 . . . . 7 GLY N . 17190 1 31 . 1 1 11 11 VAL H H 1 7.6910 0.010 . 1 . . . . 8 VAL HN . 17190 1 32 . 1 1 11 11 VAL C C 13 174.4410 0.078 . 1 . . . . 8 VAL C . 17190 1 33 . 1 1 11 11 VAL CA C 13 62.2410 0.078 . 1 . . . . 8 VAL CA . 17190 1 34 . 1 1 11 11 VAL CB C 13 32.6790 0.078 . 1 . . . . 8 VAL CB . 17190 1 35 . 1 1 11 11 VAL N N 15 119.7130 0.120 . 1 . . . . 8 VAL N . 17190 1 36 . 1 1 12 12 LYS H H 1 7.3920 0.010 . 1 . . . . 9 LYS HN . 17190 1 37 . 1 1 12 12 LYS C C 13 174.1360 0.078 . 1 . . . . 9 LYS C . 17190 1 38 . 1 1 12 12 LYS CA C 13 55.1628 0.078 . 1 . . . . 9 LYS CA . 17190 1 39 . 1 1 12 12 LYS CB C 13 34.7257 0.078 . 1 . . . . 9 LYS CB . 17190 1 40 . 1 1 12 12 LYS N N 15 124.5990 0.120 . 1 . . . . 9 LYS N . 17190 1 41 . 1 1 13 13 PHE H H 1 9.4966 0.010 . 1 . . . . 10 PHE HN . 17190 1 42 . 1 1 13 13 PHE C C 13 176.5340 0.078 . 1 . . . . 10 PHE C . 17190 1 43 . 1 1 13 13 PHE CA C 13 57.5932 0.078 . 1 . . . . 10 PHE CA . 17190 1 44 . 1 1 13 13 PHE CB C 13 41.8375 0.078 . 1 . . . . 10 PHE CB . 17190 1 45 . 1 1 13 13 PHE N N 15 119.7330 0.120 . 1 . . . . 10 PHE N . 17190 1 46 . 1 1 14 14 VAL H H 1 9.1170 0.010 . 1 . . . . 11 VAL HN . 17190 1 47 . 1 1 14 14 VAL C C 13 173.6790 0.078 . 1 . . . . 11 VAL C . 17190 1 48 . 1 1 14 14 VAL CA C 13 60.4761 0.078 . 1 . . . . 11 VAL CA . 17190 1 49 . 1 1 14 14 VAL N N 15 123.2110 0.120 . 1 . . . . 11 VAL N . 17190 1 50 . 1 1 15 15 GLU H H 1 8.0420 0.010 . 1 . . . . 12 GLU HN . 17190 1 51 . 1 1 15 15 GLU C C 13 177.3400 0.078 . 1 . . . . 12 GLU C . 17190 1 52 . 1 1 15 15 GLU CA C 13 56.0576 0.078 . 1 . . . . 12 GLU CA . 17190 1 53 . 1 1 15 15 GLU N N 15 131.1600 0.120 . 1 . . . . 12 GLU N . 17190 1 54 . 1 1 16 16 MET H H 1 8.4680 0.010 . 1 . . . . 13 MET HN . 17190 1 55 . 1 1 16 16 MET C C 13 176.6430 0.078 . 1 . . . . 13 MET C . 17190 1 56 . 1 1 16 16 MET CA C 13 55.0752 0.078 . 1 . . . . 13 MET CA . 17190 1 57 . 1 1 16 16 MET N N 15 119.8020 0.120 . 1 . . . . 13 MET N . 17190 1 58 . 1 1 17 17 ASP H H 1 7.7390 0.010 . 1 . . . . 14 ASP HN . 17190 1 59 . 1 1 17 17 ASP C C 13 171.6150 0.078 . 1 . . . . 14 ASP C . 17190 1 60 . 1 1 17 17 ASP CA C 13 53.8444 0.078 . 1 . . . . 14 ASP CA . 17190 1 61 . 1 1 17 17 ASP CB C 13 40.7287 0.078 . 1 . . . . 14 ASP CB . 17190 1 62 . 1 1 17 17 ASP N N 15 118.3040 0.120 . 1 . . . . 14 ASP N . 17190 1 63 . 1 1 18 18 ILE H H 1 6.9840 0.010 . 1 . . . . 15 ILE HN . 17190 1 64 . 1 1 18 18 ILE C C 13 177.1110 0.078 . 1 . . . . 15 ILE C . 17190 1 65 . 1 1 18 18 ILE CA C 13 57.6582 0.078 . 1 . . . . 15 ILE CA . 17190 1 66 . 1 1 18 18 ILE CB C 13 39.6062 0.078 . 1 . . . . 15 ILE CB . 17190 1 67 . 1 1 18 18 ILE N N 15 120.0800 0.120 . 1 . . . . 15 ILE N . 17190 1 68 . 1 1 19 19 ARG H H 1 8.0950 0.010 . 1 . . . . 16 ARG HN . 17190 1 69 . 1 1 19 19 ARG C C 13 176.2290 0.078 . 1 . . . . 16 ARG C . 17190 1 70 . 1 1 19 19 ARG CA C 13 56.2086 0.078 . 1 . . . . 16 ARG CA . 17190 1 71 . 1 1 19 19 ARG N N 15 122.8020 0.120 . 1 . . . . 16 ARG N . 17190 1 72 . 1 1 20 20 SER H H 1 7.0840 0.010 . 1 . . . . 17 SER HN . 17190 1 73 . 1 1 20 20 SER C C 13 174.3110 0.078 . 1 . . . . 17 SER C . 17190 1 74 . 1 1 20 20 SER CA C 13 57.2625 0.078 . 1 . . . . 17 SER CA . 17190 1 75 . 1 1 20 20 SER CB C 13 67.0398 0.078 . 1 . . . . 17 SER CB . 17190 1 76 . 1 1 20 20 SER N N 15 110.7130 0.120 . 1 . . . . 17 SER N . 17190 1 77 . 1 1 21 21 ARG H H 1 9.4086 0.010 . 1 . . . . 18 ARG HN . 17190 1 78 . 1 1 21 21 ARG C C 13 177.7760 0.078 . 1 . . . . 18 ARG C . 17190 1 79 . 1 1 21 21 ARG CA C 13 60.1900 0.078 . 1 . . . . 18 ARG CA . 17190 1 80 . 1 1 21 21 ARG N N 15 126.3430 0.120 . 1 . . . . 18 ARG N . 17190 1 81 . 1 1 22 22 GLU H H 1 8.8600 0.010 . 1 . . . . 19 GLU HN . 17190 1 82 . 1 1 22 22 GLU C C 13 179.2790 0.078 . 1 . . . . 19 GLU C . 17190 1 83 . 1 1 22 22 GLU CA C 13 59.9024 0.078 . 1 . . . . 19 GLU CA . 17190 1 84 . 1 1 22 22 GLU CB C 13 32.0856 0.078 . 1 . . . . 19 GLU CB . 17190 1 85 . 1 1 22 22 GLU N N 15 117.5480 0.120 . 1 . . . . 19 GLU N . 17190 1 86 . 1 1 23 23 ALA H H 1 7.4661 0.010 . 1 . . . . 20 ALA HN . 17190 1 87 . 1 1 23 23 ALA C C 13 177.6450 0.078 . 1 . . . . 20 ALA C . 17190 1 88 . 1 1 23 23 ALA CA C 13 54.3705 0.078 . 1 . . . . 20 ALA CA . 17190 1 89 . 1 1 23 23 ALA CB C 13 18.8468 0.078 . 1 . . . . 20 ALA CB . 17190 1 90 . 1 1 23 23 ALA N N 15 119.7130 0.120 . 1 . . . . 20 ALA N . 17190 1 91 . 1 1 24 24 TYR H H 1 8.4726 0.010 . 1 . . . . 21 TYR HN . 17190 1 92 . 1 1 24 24 TYR C C 13 176.1200 0.078 . 1 . . . . 21 TYR C . 17190 1 93 . 1 1 24 24 TYR CA C 13 63.1670 0.078 . 1 . . . . 21 TYR CA . 17190 1 94 . 1 1 24 24 TYR CB C 13 39.1167 0.078 . 1 . . . . 21 TYR CB . 17190 1 95 . 1 1 24 24 TYR N N 15 122.0850 0.120 . 1 . . . . 21 TYR N . 17190 1 96 . 1 1 25 25 GLU H H 1 8.0930 0.010 . 1 . . . . 22 GLU HN . 17190 1 97 . 1 1 25 25 GLU C C 13 178.0590 0.078 . 1 . . . . 22 GLU C . 17190 1 98 . 1 1 25 25 GLU CA C 13 59.0169 0.078 . 1 . . . . 22 GLU CA . 17190 1 99 . 1 1 25 25 GLU CB C 13 29.1246 0.078 . 1 . . . . 22 GLU CB . 17190 1 100 . 1 1 25 25 GLU N N 15 115.2220 0.120 . 1 . . . . 22 GLU N . 17190 1 101 . 1 1 26 26 LEU H H 1 6.7770 0.010 . 1 . . . . 23 LEU HN . 17190 1 102 . 1 1 26 26 LEU C C 13 177.6670 0.078 . 1 . . . . 23 LEU C . 17190 1 103 . 1 1 26 26 LEU CA C 13 56.7036 0.078 . 1 . . . . 23 LEU CA . 17190 1 104 . 1 1 26 26 LEU N N 15 117.8300 0.120 . 1 . . . . 23 LEU N . 17190 1 105 . 1 1 27 27 ALA H H 1 8.5380 0.010 . 1 . . . . 24 ALA HN . 17190 1 106 . 1 1 27 27 ALA C C 13 179.5410 0.078 . 1 . . . . 24 ALA C . 17190 1 107 . 1 1 27 27 ALA CA C 13 55.7604 0.078 . 1 . . . . 24 ALA CA . 17190 1 108 . 1 1 27 27 ALA CB C 13 17.8251 0.078 . 1 . . . . 24 ALA CB . 17190 1 109 . 1 1 27 27 ALA N N 15 120.0660 0.120 . 1 . . . . 24 ALA N . 17190 1 110 . 1 1 28 28 GLU H H 1 8.2983 0.010 . 1 . . . . 25 GLU HN . 17190 1 111 . 1 1 28 28 GLU C C 13 176.6210 0.078 . 1 . . . . 25 GLU C . 17190 1 112 . 1 1 28 28 GLU CA C 13 58.0664 0.078 . 1 . . . . 25 GLU CA . 17190 1 113 . 1 1 28 28 GLU CB C 13 28.6217 0.078 . 1 . . . . 25 GLU CB . 17190 1 114 . 1 1 28 28 GLU N N 15 113.8020 0.120 . 1 . . . . 25 GLU N . 17190 1 115 . 1 1 29 29 GLU H H 1 7.4680 0.010 . 1 . . . . 26 GLU HN . 17190 1 116 . 1 1 29 29 GLU C C 13 176.0000 0.078 . 1 . . . . 26 GLU C . 17190 1 117 . 1 1 29 29 GLU CA C 13 57.6439 0.078 . 1 . . . . 26 GLU CA . 17190 1 118 . 1 1 29 29 GLU CB C 13 28.5983 0.078 . 1 . . . . 26 GLU CB . 17190 1 119 . 1 1 29 29 GLU N N 15 115.3700 0.120 . 1 . . . . 26 GLU N . 17190 1 120 . 1 1 30 30 TRP H H 1 7.4760 0.010 . 1 . . . . 27 TRP HN . 17190 1 121 . 1 1 30 30 TRP C C 13 174.5940 0.078 . 1 . . . . 27 TRP C . 17190 1 122 . 1 1 30 30 TRP CA C 13 55.1510 0.078 . 1 . . . . 27 TRP CA . 17190 1 123 . 1 1 30 30 TRP N N 15 118.3020 0.120 . 1 . . . . 27 TRP N . 17190 1 124 . 1 1 31 31 PHE H H 1 8.2230 0.010 . 1 . . . . 28 PHE HN . 17190 1 125 . 1 1 31 31 PHE C C 13 174.0710 0.078 . 1 . . . . 28 PHE C . 17190 1 126 . 1 1 31 31 PHE CA C 13 58.1020 0.078 . 1 . . . . 28 PHE CA . 17190 1 127 . 1 1 31 31 PHE CB C 13 41.6152 0.078 . 1 . . . . 28 PHE CB . 17190 1 128 . 1 1 31 31 PHE N N 15 118.0770 0.120 . 1 . . . . 28 PHE N . 17190 1 129 . 1 1 32 32 ASP H H 1 8.5110 0.010 . 1 . . . . 29 ASP HN . 17190 1 130 . 1 1 32 32 ASP C C 13 175.9670 0.078 . 1 . . . . 29 ASP C . 17190 1 131 . 1 1 32 32 ASP CA C 13 57.6610 0.078 . 1 . . . . 29 ASP CA . 17190 1 132 . 1 1 32 32 ASP CB C 13 38.7513 0.078 . 1 . . . . 29 ASP CB . 17190 1 133 . 1 1 32 32 ASP N N 15 118.8560 0.120 . 1 . . . . 29 ASP N . 17190 1 134 . 1 1 33 33 ASP H H 1 7.9640 0.010 . 1 . . . . 30 ASP HN . 17190 1 135 . 1 1 33 33 ASP C C 13 173.2210 0.078 . 1 . . . . 30 ASP C . 17190 1 136 . 1 1 33 33 ASP CA C 13 52.6616 0.078 . 1 . . . . 30 ASP CA . 17190 1 137 . 1 1 33 33 ASP CB C 13 42.9390 0.078 . 1 . . . . 30 ASP CB . 17190 1 138 . 1 1 33 33 ASP N N 15 114.2130 0.120 . 1 . . . . 30 ASP N . 17190 1 139 . 1 1 34 34 VAL H H 1 8.6100 0.010 . 1 . . . . 31 VAL HN . 17190 1 140 . 1 1 34 34 VAL C C 13 174.2670 0.078 . 1 . . . . 31 VAL C . 17190 1 141 . 1 1 34 34 VAL CA C 13 61.0770 0.078 . 1 . . . . 31 VAL CA . 17190 1 142 . 1 1 34 34 VAL N N 15 121.2120 0.120 . 1 . . . . 31 VAL N . 17190 1 143 . 1 1 35 35 VAL H H 1 8.8509 0.010 . 1 . . . . 32 VAL HN . 17190 1 144 . 1 1 35 35 VAL C C 13 174.2670 0.078 . 1 . . . . 32 VAL C . 17190 1 145 . 1 1 35 35 VAL CA C 13 61.6023 0.078 . 1 . . . . 32 VAL CA . 17190 1 146 . 1 1 35 35 VAL N N 15 130.3230 0.120 . 1 . . . . 32 VAL N . 17190 1 147 . 1 1 36 36 PHE H H 1 8.0950 0.010 . 1 . . . . 33 PHE HN . 17190 1 148 . 1 1 36 36 PHE C C 13 173.0680 0.078 . 1 . . . . 33 PHE C . 17190 1 149 . 1 1 36 36 PHE CA C 13 58.0070 0.078 . 1 . . . . 33 PHE CA . 17190 1 150 . 1 1 36 36 PHE CB C 13 40.3570 0.078 . 1 . . . . 33 PHE CB . 17190 1 151 . 1 1 36 36 PHE N N 15 126.3830 0.120 . 1 . . . . 33 PHE N . 17190 1 152 . 1 1 37 37 SER H H 1 8.1280 0.010 . 1 . . . . 34 SER HN . 17190 1 153 . 1 1 37 37 SER C C 13 171.4780 0.078 . 1 . . . . 34 SER C . 17190 1 154 . 1 1 37 37 SER CA C 13 54.9860 0.078 . 1 . . . . 34 SER CA . 17190 1 155 . 1 1 37 37 SER CB C 13 64.7404 0.078 . 1 . . . . 34 SER CB . 17190 1 156 . 1 1 37 37 SER N N 15 125.7340 0.120 . 1 . . . . 34 SER N . 17190 1 157 . 1 1 38 38 TYR H H 1 9.0800 0.010 . 1 . . . . 35 TYR HN . 17190 1 158 . 1 1 38 38 TYR C C 13 173.8100 0.078 . 1 . . . . 35 TYR C . 17190 1 159 . 1 1 38 38 TYR CA C 13 55.8666 0.078 . 1 . . . . 35 TYR CA . 17190 1 160 . 1 1 38 38 TYR CB C 13 39.3637 0.078 . 1 . . . . 35 TYR CB . 17190 1 161 . 1 1 38 38 TYR N N 15 128.8400 0.120 . 1 . . . . 35 TYR N . 17190 1 162 . 1 1 39 39 GLU H H 1 7.7140 0.010 . 1 . . . . 36 GLU HN . 17190 1 163 . 1 1 39 39 GLU C C 13 177.1880 0.078 . 1 . . . . 36 GLU C . 17190 1 164 . 1 1 39 39 GLU CA C 13 57.0764 0.078 . 1 . . . . 36 GLU CA . 17190 1 165 . 1 1 39 39 GLU N N 15 125.7440 0.120 . 1 . . . . 36 GLU N . 17190 1 166 . 1 1 40 40 ILE H H 1 8.6990 0.010 . 1 . . . . 37 ILE HN . 17190 1 167 . 1 1 40 40 ILE CA C 13 58.4242 0.078 . 1 . . . . 37 ILE CA . 17190 1 168 . 1 1 40 40 ILE N N 15 124.2140 0.120 . 1 . . . . 37 ILE N . 17190 1 169 . 1 1 42 42 PRO C C 13 177.2740 0.078 . 1 . . . . 39 PRO C . 17190 1 170 . 1 1 42 42 PRO CA C 13 63.3415 0.078 . 1 . . . . 39 PRO CA . 17190 1 171 . 1 1 42 42 PRO CB C 13 33.8874 0.078 . 1 . . . . 39 PRO CB . 17190 1 172 . 1 1 43 43 GLY H H 1 8.6720 0.010 . 1 . . . . 40 GLY HN . 17190 1 173 . 1 1 43 43 GLY C C 13 170.6710 0.078 . 1 . . . . 40 GLY C . 17190 1 174 . 1 1 43 43 GLY CA C 13 44.7103 0.078 . 1 . . . . 40 GLY CA . 17190 1 175 . 1 1 43 43 GLY N N 15 112.2230 0.120 . 1 . . . . 40 GLY N . 17190 1 176 . 1 1 44 44 VAL H H 1 7.7230 0.010 . 1 . . . . 41 VAL HN . 17190 1 177 . 1 1 44 44 VAL C C 13 175.3790 0.078 . 1 . . . . 41 VAL C . 17190 1 178 . 1 1 44 44 VAL CA C 13 59.6666 0.078 . 1 . . . . 41 VAL CA . 17190 1 179 . 1 1 44 44 VAL CB C 13 35.2135 0.078 . 1 . . . . 41 VAL CB . 17190 1 180 . 1 1 44 44 VAL N N 15 111.7290 0.120 . 1 . . . . 41 VAL N . 17190 1 181 . 1 1 45 45 LEU H H 1 8.5950 0.010 . 1 . . . . 42 LEU HN . 17190 1 182 . 1 1 45 45 LEU C C 13 174.2890 0.078 . 1 . . . . 42 LEU C . 17190 1 183 . 1 1 45 45 LEU CA C 13 53.6264 0.078 . 1 . . . . 42 LEU CA . 17190 1 184 . 1 1 45 45 LEU CB C 13 39.6901 0.078 . 1 . . . . 42 LEU CB . 17190 1 185 . 1 1 45 45 LEU N N 15 124.7450 0.120 . 1 . . . . 42 LEU N . 17190 1 186 . 1 1 46 46 ASP H H 1 7.1390 0.010 . 1 . . . . 43 ASP HN . 17190 1 187 . 1 1 46 46 ASP C C 13 175.6400 0.078 . 1 . . . . 43 ASP C . 17190 1 188 . 1 1 46 46 ASP CA C 13 52.8388 0.078 . 1 . . . . 43 ASP CA . 17190 1 189 . 1 1 46 46 ASP CB C 13 45.0129 0.078 . 1 . . . . 43 ASP CB . 17190 1 190 . 1 1 46 46 ASP N N 15 125.2840 0.120 . 1 . . . . 43 ASP N . 17190 1 191 . 1 1 47 47 LYS H H 1 9.1040 0.010 . 1 . . . . 44 LYS HN . 17190 1 192 . 1 1 47 47 LYS C C 13 177.8630 0.078 . 1 . . . . 44 LYS C . 17190 1 193 . 1 1 47 47 LYS CA C 13 60.2976 0.078 . 1 . . . . 44 LYS CA . 17190 1 194 . 1 1 47 47 LYS CB C 13 32.7083 0.078 . 1 . . . . 44 LYS CB . 17190 1 195 . 1 1 47 47 LYS N N 15 125.9560 0.120 . 1 . . . . 44 LYS N . 17190 1 196 . 1 1 48 48 GLU H H 1 8.3000 0.010 . 1 . . . . 45 GLU HN . 17190 1 197 . 1 1 48 48 GLU C C 13 179.0620 0.078 . 1 . . . . 45 GLU C . 17190 1 198 . 1 1 48 48 GLU CA C 13 59.0331 0.078 . 1 . . . . 45 GLU CA . 17190 1 199 . 1 1 48 48 GLU CB C 13 28.5404 0.078 . 1 . . . . 45 GLU CB . 17190 1 200 . 1 1 48 48 GLU N N 15 119.6320 0.120 . 1 . . . . 45 GLU N . 17190 1 201 . 1 1 49 49 ARG H H 1 8.0940 0.010 . 1 . . . . 46 ARG HN . 17190 1 202 . 1 1 49 49 ARG C C 13 179.3670 0.078 . 1 . . . . 46 ARG C . 17190 1 203 . 1 1 49 49 ARG CA C 13 58.2501 0.078 . 1 . . . . 46 ARG CA . 17190 1 204 . 1 1 49 49 ARG CB C 13 29.6488 0.078 . 1 . . . . 46 ARG CB . 17190 1 205 . 1 1 49 49 ARG N N 15 120.6770 0.120 . 1 . . . . 46 ARG N . 17190 1 206 . 1 1 50 50 LEU H H 1 8.0030 0.010 . 1 . . . . 47 LEU HN . 17190 1 207 . 1 1 50 50 LEU C C 13 179.0180 0.078 . 1 . . . . 47 LEU C . 17190 1 208 . 1 1 50 50 LEU CA C 13 57.8524 0.078 . 1 . . . . 47 LEU CA . 17190 1 209 . 1 1 50 50 LEU CB C 13 45.3724 0.078 . 1 . . . . 47 LEU CB . 17190 1 210 . 1 1 50 50 LEU N N 15 117.7700 0.120 . 1 . . . . 47 LEU N . 17190 1 211 . 1 1 51 51 LYS H H 1 7.7495 0.010 . 1 . . . . 48 LYS HN . 17190 1 212 . 1 1 51 51 LYS C C 13 179.0620 0.078 . 1 . . . . 48 LYS C . 17190 1 213 . 1 1 51 51 LYS CA C 13 59.5079 0.078 . 1 . . . . 48 LYS CA . 17190 1 214 . 1 1 51 51 LYS CB C 13 29.5742 0.078 . 1 . . . . 48 LYS CB . 17190 1 215 . 1 1 51 51 LYS N N 15 120.7200 0.120 . 1 . . . . 48 LYS N . 17190 1 216 . 1 1 52 52 GLU H H 1 7.4740 0.010 . 1 . . . . 49 GLU HN . 17190 1 217 . 1 1 52 52 GLU C C 13 178.8630 0.078 . 1 . . . . 49 GLU C . 17190 1 218 . 1 1 52 52 GLU CA C 13 59.1775 0.078 . 1 . . . . 49 GLU CA . 17190 1 219 . 1 1 52 52 GLU CB C 13 28.6484 0.078 . 1 . . . . 49 GLU CB . 17190 1 220 . 1 1 52 52 GLU N N 15 119.8060 0.120 . 1 . . . . 49 GLU N . 17190 1 221 . 1 1 53 53 ILE H H 1 7.7050 0.010 . 1 . . . . 50 ILE HN . 17190 1 222 . 1 1 53 53 ILE C C 13 178.0590 0.078 . 1 . . . . 50 ILE C . 17190 1 223 . 1 1 53 53 ILE CA C 13 64.3075 0.078 . 1 . . . . 50 ILE CA . 17190 1 224 . 1 1 53 53 ILE N N 15 120.0840 0.120 . 1 . . . . 50 ILE N . 17190 1 225 . 1 1 54 54 LYS H H 1 8.4660 0.010 . 1 . . . . 51 LYS HN . 17190 1 226 . 1 1 54 54 LYS C C 13 178.8650 0.078 . 1 . . . . 51 LYS C . 17190 1 227 . 1 1 54 54 LYS CA C 13 59.6656 0.078 . 1 . . . . 51 LYS CA . 17190 1 228 . 1 1 54 54 LYS CB C 13 32.2189 0.078 . 1 . . . . 51 LYS CB . 17190 1 229 . 1 1 54 54 LYS N N 15 121.4410 0.120 . 1 . . . . 51 LYS N . 17190 1 230 . 1 1 55 55 LYS H H 1 7.8490 0.010 . 1 . . . . 52 LYS HN . 17190 1 231 . 1 1 55 55 LYS C C 13 177.6890 0.078 . 1 . . . . 52 LYS C . 17190 1 232 . 1 1 55 55 LYS CA C 13 59.2350 0.078 . 1 . . . . 52 LYS CA . 17190 1 233 . 1 1 55 55 LYS CB C 13 32.1162 0.078 . 1 . . . . 52 LYS CB . 17190 1 234 . 1 1 55 55 LYS N N 15 119.6060 0.120 . 1 . . . . 52 LYS N . 17190 1 235 . 1 1 56 56 GLU H H 1 7.2480 0.010 . 1 . . . . 53 GLU HN . 17190 1 236 . 1 1 56 56 GLU C C 13 177.2330 0.078 . 1 . . . . 53 GLU C . 17190 1 237 . 1 1 56 56 GLU CA C 13 58.2542 0.078 . 1 . . . . 53 GLU CA . 17190 1 238 . 1 1 56 56 GLU CB C 13 29.3281 0.078 . 1 . . . . 53 GLU CB . 17190 1 239 . 1 1 56 56 GLU N N 15 116.6980 0.120 . 1 . . . . 53 GLU N . 17190 1 240 . 1 1 57 57 TYR H H 1 7.6920 0.010 . 1 . . . . 54 TYR HN . 17190 1 241 . 1 1 57 57 TYR C C 13 177.3840 0.078 . 1 . . . . 54 TYR C . 17190 1 242 . 1 1 57 57 TYR CA C 13 59.1338 0.078 . 1 . . . . 54 TYR CA . 17190 1 243 . 1 1 57 57 TYR CB C 13 41.4154 0.078 . 1 . . . . 54 TYR CB . 17190 1 244 . 1 1 57 57 TYR N N 15 113.7180 0.120 . 1 . . . . 54 TYR N . 17190 1 245 . 1 1 58 58 GLY H H 1 8.6296 0.010 . 1 . . . . 55 GLY HN . 17190 1 246 . 1 1 58 58 GLY C C 13 173.8100 0.078 . 1 . . . . 55 GLY C . 17190 1 247 . 1 1 58 58 GLY CA C 13 47.6228 0.078 . 1 . . . . 55 GLY CA . 17190 1 248 . 1 1 58 58 GLY N N 15 110.9000 0.120 . 1 . . . . 55 GLY N . 17190 1 249 . 1 1 59 59 ASN H H 1 8.2267 0.010 . 1 . . . . 56 ASN HN . 17190 1 250 . 1 1 59 59 ASN C C 13 173.0910 0.078 . 1 . . . . 56 ASN C . 17190 1 251 . 1 1 59 59 ASN CA C 13 52.8560 0.078 . 1 . . . . 56 ASN CA . 17190 1 252 . 1 1 59 59 ASN CB C 13 40.9994 0.078 . 1 . . . . 56 ASN CB . 17190 1 253 . 1 1 59 59 ASN N N 15 122.3230 0.120 . 1 . . . . 56 ASN N . 17190 1 254 . 1 1 60 60 VAL H H 1 8.2000 0.010 . 1 . . . . 57 VAL HN . 17190 1 255 . 1 1 60 60 VAL C C 13 173.7880 0.078 . 1 . . . . 57 VAL C . 17190 1 256 . 1 1 60 60 VAL CA C 13 60.4741 0.078 . 1 . . . . 57 VAL CA . 17190 1 257 . 1 1 60 60 VAL N N 15 123.0620 0.120 . 1 . . . . 57 VAL N . 17190 1 258 . 1 1 61 61 ALA H H 1 9.1750 0.010 . 1 . . . . 58 ALA HN . 17190 1 259 . 1 1 61 61 ALA C C 13 175.5690 0.078 . 1 . . . . 58 ALA C . 17190 1 260 . 1 1 61 61 ALA CA C 13 49.0710 0.078 . 1 . . . . 58 ALA CA . 17190 1 261 . 1 1 61 61 ALA CB C 13 20.8872 0.078 . 1 . . . . 58 ALA CB . 17190 1 262 . 1 1 61 61 ALA N N 15 129.2520 0.120 . 1 . . . . 58 ALA N . 17190 1 263 . 1 1 62 62 ILE H H 1 8.9950 0.010 . 1 . . . . 59 ILE HN . 17190 1 264 . 1 1 62 62 ILE C C 13 173.9840 0.078 . 1 . . . . 59 ILE C . 17190 1 265 . 1 1 62 62 ILE CA C 13 61.5854 0.078 . 1 . . . . 59 ILE CA . 17190 1 266 . 1 1 62 62 ILE N N 15 123.2570 0.120 . 1 . . . . 59 ILE N . 17190 1 267 . 1 1 63 63 THR H H 1 8.4300 0.010 . 1 . . . . 60 THR HN . 17190 1 268 . 1 1 63 63 THR C C 13 173.2430 0.078 . 1 . . . . 60 THR C . 17190 1 269 . 1 1 63 63 THR CA C 13 61.8325 0.078 . 1 . . . . 60 THR CA . 17190 1 270 . 1 1 63 63 THR N N 15 127.0820 0.120 . 1 . . . . 60 THR N . 17190 1 271 . 1 1 64 64 LEU H H 1 8.7260 0.010 . 1 . . . . 61 LEU HN . 17190 1 272 . 1 1 64 64 LEU C C 13 176.4090 0.078 . 1 . . . . 61 LEU C . 17190 1 273 . 1 1 64 64 LEU CA C 13 53.6172 0.078 . 1 . . . . 61 LEU CA . 17190 1 274 . 1 1 64 64 LEU CB C 13 41.3759 0.078 . 1 . . . . 61 LEU CB . 17190 1 275 . 1 1 64 64 LEU N N 15 126.2870 0.120 . 1 . . . . 61 LEU N . 17190 1 276 . 1 1 65 65 ILE H H 1 8.3600 0.010 . 1 . . . . 62 ILE HN . 17190 1 277 . 1 1 65 65 ILE C C 13 176.5990 0.078 . 1 . . . . 62 ILE C . 17190 1 278 . 1 1 65 65 ILE CA C 13 59.5728 0.078 . 1 . . . . 62 ILE CA . 17190 1 279 . 1 1 65 65 ILE N N 15 126.1450 0.120 . 1 . . . . 62 ILE N . 17190 1 280 . 1 1 66 66 ASN H H 1 9.3800 0.010 . 1 . . . . 63 ASN HN . 17190 1 281 . 1 1 66 66 ASN CA C 13 54.7175 0.078 . 1 . . . . 63 ASN CA . 17190 1 282 . 1 1 66 66 ASN N N 15 125.1330 0.120 . 1 . . . . 63 ASN N . 17190 1 283 . 1 1 70 70 SER C C 13 176.5120 0.078 . 1 . . . . 67 SER C . 17190 1 284 . 1 1 70 70 SER CA C 13 61.4156 0.078 . 1 . . . . 67 SER CA . 17190 1 285 . 1 1 71 71 LEU H H 1 7.2920 0.010 . 1 . . . . 68 LEU HN . 17190 1 286 . 1 1 71 71 LEU C C 13 178.2770 0.078 . 1 . . . . 68 LEU C . 17190 1 287 . 1 1 71 71 LEU CA C 13 57.2206 0.078 . 1 . . . . 68 LEU CA . 17190 1 288 . 1 1 71 71 LEU N N 15 124.3020 0.120 . 1 . . . . 68 LEU N . 17190 1 289 . 1 1 72 72 VAL H H 1 7.2290 0.010 . 1 . . . . 69 VAL HN . 17190 1 290 . 1 1 72 72 VAL C C 13 177.3840 0.078 . 1 . . . . 69 VAL C . 17190 1 291 . 1 1 72 72 VAL CA C 13 67.1117 0.078 . 1 . . . . 69 VAL CA . 17190 1 292 . 1 1 72 72 VAL N N 15 118.0230 0.120 . 1 . . . . 69 VAL N . 17190 1 293 . 1 1 73 73 LYS H H 1 8.1850 0.010 . 1 . . . . 70 LYS HN . 17190 1 294 . 1 1 73 73 LYS C C 13 179.4770 0.078 . 1 . . . . 70 LYS C . 17190 1 295 . 1 1 73 73 LYS CA C 13 60.5739 0.078 . 1 . . . . 70 LYS CA . 17190 1 296 . 1 1 73 73 LYS N N 15 117.3020 0.120 . 1 . . . . 70 LYS N . 17190 1 297 . 1 1 74 74 GLU H H 1 7.7960 0.010 . 1 . . . . 71 GLU HN . 17190 1 298 . 1 1 74 74 GLU C C 13 178.2770 0.078 . 1 . . . . 71 GLU C . 17190 1 299 . 1 1 74 74 GLU CA C 13 59.5667 0.078 . 1 . . . . 71 GLU CA . 17190 1 300 . 1 1 74 74 GLU CB C 13 29.8263 0.078 . 1 . . . . 71 GLU CB . 17190 1 301 . 1 1 74 74 GLU N N 15 119.0100 0.120 . 1 . . . . 71 GLU N . 17190 1 302 . 1 1 75 75 ALA H H 1 8.5830 0.010 . 1 . . . . 72 ALA HN . 17190 1 303 . 1 1 75 75 ALA C C 13 179.6070 0.078 . 1 . . . . 72 ALA C . 17190 1 304 . 1 1 75 75 ALA CA C 13 55.8927 0.078 . 1 . . . . 72 ALA CA . 17190 1 305 . 1 1 75 75 ALA CB C 13 18.6032 0.078 . 1 . . . . 72 ALA CB . 17190 1 306 . 1 1 75 75 ALA N N 15 120.2130 0.120 . 1 . . . . 72 ALA N . 17190 1 307 . 1 1 76 76 VAL H H 1 8.3510 0.010 . 1 . . . . 73 VAL HN . 17190 1 308 . 1 1 76 76 VAL C C 13 178.1680 0.078 . 1 . . . . 73 VAL C . 17190 1 309 . 1 1 76 76 VAL CA C 13 66.6642 0.078 . 1 . . . . 73 VAL CA . 17190 1 310 . 1 1 76 76 VAL N N 15 115.2130 0.120 . 1 . . . . 73 VAL N . 17190 1 311 . 1 1 77 77 GLN H H 1 8.3910 0.010 . 1 . . . . 74 GLN HN . 17190 1 312 . 1 1 77 77 GLN C C 13 178.3210 0.078 . 1 . . . . 74 GLN C . 17190 1 313 . 1 1 77 77 GLN CA C 13 59.4018 0.078 . 1 . . . . 74 GLN CA . 17190 1 314 . 1 1 77 77 GLN CB C 13 29.0759 0.078 . 1 . . . . 74 GLN CB . 17190 1 315 . 1 1 77 77 GLN N N 15 117.6870 0.120 . 1 . . . . 74 GLN N . 17190 1 316 . 1 1 78 78 ARG H H 1 8.1300 0.010 . 1 . . . . 75 ARG HN . 17190 1 317 . 1 1 78 78 ARG C C 13 178.3210 0.078 . 1 . . . . 75 ARG C . 17190 1 318 . 1 1 78 78 ARG CA C 13 57.7956 0.078 . 1 . . . . 75 ARG CA . 17190 1 319 . 1 1 78 78 ARG CB C 13 32.3435 0.078 . 1 . . . . 75 ARG CB . 17190 1 320 . 1 1 78 78 ARG N N 15 112.7210 0.120 . 1 . . . . 75 ARG N . 17190 1 321 . 1 1 79 79 PHE H H 1 8.0768 0.010 . 1 . . . . 76 PHE HN . 17190 1 322 . 1 1 79 79 PHE C C 13 176.0540 0.078 . 1 . . . . 76 PHE C . 17190 1 323 . 1 1 79 79 PHE CA C 13 59.2118 0.078 . 1 . . . . 76 PHE CA . 17190 1 324 . 1 1 79 79 PHE CB C 13 41.3492 0.078 . 1 . . . . 76 PHE CB . 17190 1 325 . 1 1 79 79 PHE N N 15 113.7000 0.120 . 1 . . . . 76 PHE N . 17190 1 326 . 1 1 80 80 LYS H H 1 7.6490 0.010 . 1 . . . . 77 LYS HN . 17190 1 327 . 1 1 80 80 LYS C C 13 176.5620 0.078 . 1 . . . . 77 LYS C . 17190 1 328 . 1 1 80 80 LYS CA C 13 59.6089 0.078 . 1 . . . . 77 LYS CA . 17190 1 329 . 1 1 80 80 LYS CB C 13 33.6196 0.078 . 1 . . . . 77 LYS CB . 17190 1 330 . 1 1 80 80 LYS N N 15 120.5550 0.120 . 1 . . . . 77 LYS N . 17190 1 331 . 1 1 81 81 GLN H H 1 8.4420 0.010 . 1 . . . . 78 GLN HN . 17190 1 332 . 1 1 81 81 GLN C C 13 176.0320 0.078 . 1 . . . . 78 GLN C . 17190 1 333 . 1 1 81 81 GLN CA C 13 59.1109 0.078 . 1 . . . . 78 GLN CA . 17190 1 334 . 1 1 81 81 GLN CB C 13 28.5235 0.078 . 1 . . . . 78 GLN CB . 17190 1 335 . 1 1 81 81 GLN N N 15 113.2140 0.120 . 1 . . . . 78 GLN N . 17190 1 336 . 1 1 82 82 ASN H H 1 7.4620 0.010 . 1 . . . . 79 ASN HN . 17190 1 337 . 1 1 82 82 ASN C C 13 172.4800 0.078 . 1 . . . . 79 ASN C . 17190 1 338 . 1 1 82 82 ASN CA C 13 53.3037 0.078 . 1 . . . . 79 ASN CA . 17190 1 339 . 1 1 82 82 ASN CB C 13 42.9146 0.078 . 1 . . . . 79 ASN CB . 17190 1 340 . 1 1 82 82 ASN N N 15 111.0700 0.120 . 1 . . . . 79 ASN N . 17190 1 341 . 1 1 83 83 TYR H H 1 8.0160 0.010 . 1 . . . . 80 TYR HN . 17190 1 342 . 1 1 83 83 TYR C C 13 174.5720 0.078 . 1 . . . . 80 TYR C . 17190 1 343 . 1 1 83 83 TYR CA C 13 57.4662 0.078 . 1 . . . . 80 TYR CA . 17190 1 344 . 1 1 83 83 TYR CB C 13 41.4065 0.078 . 1 . . . . 80 TYR CB . 17190 1 345 . 1 1 83 83 TYR N N 15 118.2130 0.120 . 1 . . . . 80 TYR N . 17190 1 346 . 1 1 84 84 LEU H H 1 7.5570 0.010 . 1 . . . . 81 LEU HN . 17190 1 347 . 1 1 84 84 LEU C C 13 176.7740 0.078 . 1 . . . . 81 LEU C . 17190 1 348 . 1 1 84 84 LEU CA C 13 54.4632 0.078 . 1 . . . . 81 LEU CA . 17190 1 349 . 1 1 84 84 LEU N N 15 117.8940 0.120 . 1 . . . . 81 LEU N . 17190 1 350 . 1 1 85 85 ILE H H 1 10.0227 0.010 . 1 . . . . 82 ILE HN . 17190 1 351 . 1 1 85 85 ILE C C 13 175.6520 0.078 . 1 . . . . 82 ILE C . 17190 1 352 . 1 1 85 85 ILE CA C 13 59.5722 0.078 . 1 . . . . 82 ILE CA . 17190 1 353 . 1 1 85 85 ILE N N 15 120.5080 0.120 . 1 . . . . 82 ILE N . 17190 1 354 . 1 1 86 86 TYR H H 1 9.6670 0.010 . 1 . . . . 83 TYR HN . 17190 1 355 . 1 1 86 86 TYR C C 13 176.2070 0.078 . 1 . . . . 83 TYR C . 17190 1 356 . 1 1 86 86 TYR CA C 13 51.6684 0.078 . 1 . . . . 83 TYR CA . 17190 1 357 . 1 1 86 86 TYR CB C 13 39.9240 0.078 . 1 . . . . 83 TYR CB . 17190 1 358 . 1 1 86 86 TYR N N 15 128.1660 0.120 . 1 . . . . 83 TYR N . 17190 1 359 . 1 1 87 87 VAL H H 1 8.3620 0.010 . 1 . . . . 84 VAL HN . 17190 1 360 . 1 1 87 87 VAL C C 13 173.4610 0.078 . 1 . . . . 84 VAL C . 17190 1 361 . 1 1 87 87 VAL CA C 13 61.3216 0.078 . 1 . . . . 84 VAL CA . 17190 1 362 . 1 1 87 87 VAL N N 15 118.2580 0.120 . 1 . . . . 84 VAL N . 17190 1 363 . 1 1 88 88 GLU H H 1 8.8030 0.010 . 1 . . . . 85 GLU HN . 17190 1 364 . 1 1 88 88 GLU C C 13 173.8970 0.078 . 1 . . . . 85 GLU C . 17190 1 365 . 1 1 88 88 GLU CA C 13 54.9816 0.078 . 1 . . . . 85 GLU CA . 17190 1 366 . 1 1 88 88 GLU CB C 13 31.8010 0.078 . 1 . . . . 85 GLU CB . 17190 1 367 . 1 1 88 88 GLU N N 15 129.7560 0.120 . 1 . . . . 85 GLU N . 17190 1 368 . 1 1 89 89 SER H H 1 7.8240 0.010 . 1 . . . . 86 SER HN . 17190 1 369 . 1 1 89 89 SER C C 13 173.1120 0.078 . 1 . . . . 86 SER C . 17190 1 370 . 1 1 89 89 SER CA C 13 57.2869 0.078 . 1 . . . . 86 SER CA . 17190 1 371 . 1 1 89 89 SER CB C 13 65.2712 0.078 . 1 . . . . 86 SER CB . 17190 1 372 . 1 1 89 89 SER N N 15 117.6230 0.120 . 1 . . . . 86 SER N . 17190 1 373 . 1 1 90 90 SER H H 1 8.2770 0.010 . 1 . . . . 87 SER HN . 17190 1 374 . 1 1 90 90 SER C C 13 172.7850 0.078 . 1 . . . . 87 SER C . 17190 1 375 . 1 1 90 90 SER CA C 13 57.3468 0.078 . 1 . . . . 87 SER CA . 17190 1 376 . 1 1 90 90 SER CB C 13 64.6486 0.078 . 1 . . . . 87 SER CB . 17190 1 377 . 1 1 90 90 SER N N 15 119.3020 0.120 . 1 . . . . 87 SER N . 17190 1 378 . 1 1 91 91 ASP H H 1 8.4430 0.010 . 1 . . . . 88 ASP HN . 17190 1 379 . 1 1 91 91 ASP C C 13 177.0130 0.078 . 1 . . . . 88 ASP C . 17190 1 380 . 1 1 91 91 ASP CA C 13 52.8360 0.078 . 1 . . . . 88 ASP CA . 17190 1 381 . 1 1 91 91 ASP N N 15 123.3800 0.120 . 1 . . . . 88 ASP N . 17190 1 382 . 1 1 92 92 LEU H H 1 8.6450 0.010 . 1 . . . . 89 LEU HN . 17190 1 383 . 1 1 92 92 LEU C C 13 178.3860 0.078 . 1 . . . . 89 LEU C . 17190 1 384 . 1 1 92 92 LEU CA C 13 57.9548 0.078 . 1 . . . . 89 LEU CA . 17190 1 385 . 1 1 92 92 LEU CB C 13 40.8038 0.078 . 1 . . . . 89 LEU CB . 17190 1 386 . 1 1 92 92 LEU N N 15 126.4150 0.120 . 1 . . . . 89 LEU N . 17190 1 387 . 1 1 93 93 ARG H H 1 8.4200 0.010 . 1 . . . . 90 ARG HN . 17190 1 388 . 1 1 93 93 ARG C C 13 179.8460 0.078 . 1 . . . . 90 ARG C . 17190 1 389 . 1 1 93 93 ARG CA C 13 59.8865 0.078 . 1 . . . . 90 ARG CA . 17190 1 390 . 1 1 93 93 ARG CB C 13 29.4470 0.078 . 1 . . . . 90 ARG CB . 17190 1 391 . 1 1 93 93 ARG N N 15 119.8020 0.120 . 1 . . . . 90 ARG N . 17190 1 392 . 1 1 94 94 VAL H H 1 7.4560 0.010 . 1 . . . . 91 VAL HN . 17190 1 393 . 1 1 94 94 VAL C C 13 179.5850 0.078 . 1 . . . . 91 VAL C . 17190 1 394 . 1 1 94 94 VAL CA C 13 66.6170 0.078 . 1 . . . . 91 VAL CA . 17190 1 395 . 1 1 94 94 VAL N N 15 121.9230 0.120 . 1 . . . . 91 VAL N . 17190 1 396 . 1 1 95 95 VAL H H 1 8.7700 0.010 . 1 . . . . 92 VAL HN . 17190 1 397 . 1 1 95 95 VAL C C 13 177.0570 0.078 . 1 . . . . 92 VAL C . 17190 1 398 . 1 1 95 95 VAL CA C 13 68.5490 0.078 . 1 . . . . 92 VAL CA . 17190 1 399 . 1 1 95 95 VAL N N 15 124.6990 0.120 . 1 . . . . 92 VAL N . 17190 1 400 . 1 1 96 96 ARG H H 1 8.2380 0.010 . 1 . . . . 93 ARG HN . 17190 1 401 . 1 1 96 96 ARG C C 13 177.2470 0.078 . 1 . . . . 93 ARG C . 17190 1 402 . 1 1 96 96 ARG CA C 13 60.6994 0.078 . 1 . . . . 93 ARG CA . 17190 1 403 . 1 1 96 96 ARG N N 15 118.7130 0.120 . 1 . . . . 93 ARG N . 17190 1 404 . 1 1 97 97 TYR H H 1 7.8670 0.010 . 1 . . . . 94 TYR HN . 17190 1 405 . 1 1 97 97 TYR C C 13 177.2960 0.078 . 1 . . . . 94 TYR C . 17190 1 406 . 1 1 97 97 TYR CA C 13 61.8820 0.078 . 1 . . . . 94 TYR CA . 17190 1 407 . 1 1 97 97 TYR CB C 13 39.1752 0.078 . 1 . . . . 94 TYR CB . 17190 1 408 . 1 1 97 97 TYR N N 15 118.6430 0.120 . 1 . . . . 94 TYR N . 17190 1 409 . 1 1 98 98 SER H H 1 8.5090 0.010 . 1 . . . . 95 SER HN . 17190 1 410 . 1 1 98 98 SER C C 13 175.6840 0.078 . 1 . . . . 95 SER C . 17190 1 411 . 1 1 98 98 SER CA C 13 63.4110 0.078 . 1 . . . . 95 SER CA . 17190 1 412 . 1 1 98 98 SER N N 15 114.3680 0.120 . 1 . . . . 95 SER N . 17190 1 413 . 1 1 99 99 ILE H H 1 7.9720 0.010 . 1 . . . . 96 ILE HN . 17190 1 414 . 1 1 99 99 ILE C C 13 177.9070 0.078 . 1 . . . . 96 ILE C . 17190 1 415 . 1 1 99 99 ILE CA C 13 65.3238 0.078 . 1 . . . . 96 ILE CA . 17190 1 416 . 1 1 99 99 ILE N N 15 123.4070 0.120 . 1 . . . . 96 ILE N . 17190 1 417 . 1 1 100 100 GLU H H 1 7.9570 0.010 . 1 . . . . 97 GLU HN . 17190 1 418 . 1 1 100 100 GLU C C 13 178.8440 0.078 . 1 . . . . 97 GLU C . 17190 1 419 . 1 1 100 100 GLU CA C 13 59.6473 0.078 . 1 . . . . 97 GLU CA . 17190 1 420 . 1 1 100 100 GLU CB C 13 29.1757 0.078 . 1 . . . . 97 GLU CB . 17190 1 421 . 1 1 100 100 GLU N N 15 118.2330 0.120 . 1 . . . . 97 GLU N . 17190 1 422 . 1 1 101 101 ARG H H 1 7.8960 0.010 . 1 . . . . 98 ARG HN . 17190 1 423 . 1 1 101 101 ARG C C 13 176.6860 0.078 . 1 . . . . 98 ARG C . 17190 1 424 . 1 1 101 101 ARG CA C 13 55.2681 0.078 . 1 . . . . 98 ARG CA . 17190 1 425 . 1 1 101 101 ARG CB C 13 31.0191 0.078 . 1 . . . . 98 ARG CB . 17190 1 426 . 1 1 101 101 ARG N N 15 114.7130 0.120 . 1 . . . . 98 ARG N . 17190 1 427 . 1 1 102 102 GLY H H 1 7.7690 0.010 . 1 . . . . 99 GLY HN . 17190 1 428 . 1 1 102 102 GLY C C 13 175.4000 0.078 . 1 . . . . 99 GLY C . 17190 1 429 . 1 1 102 102 GLY CA C 13 47.4396 0.078 . 1 . . . . 99 GLY CA . 17190 1 430 . 1 1 102 102 GLY N N 15 106.3330 0.120 . 1 . . . . 99 GLY N . 17190 1 431 . 1 1 103 103 VAL H H 1 6.8880 0.010 . 1 . . . . 100 VAL HN . 17190 1 432 . 1 1 103 103 VAL C C 13 173.7010 0.078 . 1 . . . . 100 VAL C . 17190 1 433 . 1 1 103 103 VAL CA C 13 62.7870 0.078 . 1 . . . . 100 VAL CA . 17190 1 434 . 1 1 103 103 VAL N N 15 109.2090 0.120 . 1 . . . . 100 VAL N . 17190 1 435 . 1 1 104 104 ASP H H 1 8.9690 0.010 . 1 . . . . 101 ASP HN . 17190 1 436 . 1 1 104 104 ASP C C 13 177.6670 0.078 . 1 . . . . 101 ASP C . 17190 1 437 . 1 1 104 104 ASP CA C 13 58.3880 0.078 . 1 . . . . 101 ASP CA . 17190 1 438 . 1 1 104 104 ASP CB C 13 43.0054 0.078 . 1 . . . . 101 ASP CB . 17190 1 439 . 1 1 104 104 ASP N N 15 117.2080 0.120 . 1 . . . . 101 ASP N . 17190 1 440 . 1 1 105 105 ALA H H 1 7.9120 0.010 . 1 . . . . 102 ALA HN . 17190 1 441 . 1 1 105 105 ALA C C 13 176.2720 0.078 . 1 . . . . 102 ALA C . 17190 1 442 . 1 1 105 105 ALA CA C 13 51.3755 0.078 . 1 . . . . 102 ALA CA . 17190 1 443 . 1 1 105 105 ALA CB C 13 23.0922 0.078 . 1 . . . . 102 ALA CB . 17190 1 444 . 1 1 105 105 ALA N N 15 115.7140 0.120 . 1 . . . . 102 ALA N . 17190 1 445 . 1 1 106 106 VAL H H 1 8.4320 0.010 . 1 . . . . 103 VAL HN . 17190 1 446 . 1 1 106 106 VAL C C 13 174.4200 0.078 . 1 . . . . 103 VAL C . 17190 1 447 . 1 1 106 106 VAL CA C 13 59.9475 0.078 . 1 . . . . 103 VAL CA . 17190 1 448 . 1 1 106 106 VAL N N 15 118.3900 0.120 . 1 . . . . 103 VAL N . 17190 1 449 . 1 1 107 107 ILE H H 1 8.7230 0.010 . 1 . . . . 104 ILE HN . 17190 1 450 . 1 1 107 107 ILE CA C 13 59.5497 0.078 . 1 . . . . 104 ILE CA . 17190 1 451 . 1 1 107 107 ILE N N 15 125.6740 0.120 . 1 . . . . 104 ILE N . 17190 1 452 . 1 1 109 109 PRO CA C 13 63.8589 0.078 . 1 . . . . 106 PRO CA . 17190 1 453 . 1 1 109 109 PRO CB C 13 31.8421 0.078 . 1 . . . . 106 PRO CB . 17190 1 454 . 1 1 110 110 TRP C C 13 177.0130 0.078 . 1 . . . . 107 TRP C . 17190 1 455 . 1 1 110 110 TRP CA C 13 57.4370 0.078 . 1 . . . . 107 TRP CA . 17190 1 456 . 1 1 111 111 ALA H H 1 7.1580 0.010 . 1 . . . . 108 ALA HN . 17190 1 457 . 1 1 111 111 ALA C C 13 177.8660 0.078 . 1 . . . . 108 ALA C . 17190 1 458 . 1 1 111 111 ALA CA C 13 54.9257 0.078 . 1 . . . . 108 ALA CA . 17190 1 459 . 1 1 111 111 ALA CB C 13 18.3380 0.078 . 1 . . . . 108 ALA CB . 17190 1 460 . 1 1 111 111 ALA N N 15 125.4380 0.120 . 1 . . . . 108 ALA N . 17190 1 461 . 1 1 112 112 ASN H H 1 8.1630 0.010 . 1 . . . . 109 ASN HN . 17190 1 462 . 1 1 112 112 ASN C C 13 174.1800 0.078 . 1 . . . . 109 ASN C . 17190 1 463 . 1 1 112 112 ASN CA C 13 53.1754 0.078 . 1 . . . . 109 ASN CA . 17190 1 464 . 1 1 112 112 ASN CB C 13 38.8275 0.078 . 1 . . . . 109 ASN CB . 17190 1 465 . 1 1 112 112 ASN N N 15 114.2140 0.120 . 1 . . . . 109 ASN N . 17190 1 466 . 1 1 113 113 ARG H H 1 7.6330 0.010 . 1 . . . . 110 ARG HN . 17190 1 467 . 1 1 113 113 ARG C C 13 175.1610 0.078 . 1 . . . . 110 ARG C . 17190 1 468 . 1 1 113 113 ARG CA C 13 55.6231 0.078 . 1 . . . . 110 ARG CA . 17190 1 469 . 1 1 113 113 ARG N N 15 116.7120 0.120 . 1 . . . . 110 ARG N . 17190 1 470 . 1 1 114 114 LYS H H 1 8.3170 0.010 . 1 . . . . 111 LYS HN . 17190 1 471 . 1 1 114 114 LYS C C 13 175.1170 0.078 . 1 . . . . 111 LYS C . 17190 1 472 . 1 1 114 114 LYS CA C 13 55.3026 0.078 . 1 . . . . 111 LYS CA . 17190 1 473 . 1 1 114 114 LYS CB C 13 31.7433 0.078 . 1 . . . . 111 LYS CB . 17190 1 474 . 1 1 114 114 LYS N N 15 118.5190 0.120 . 1 . . . . 111 LYS N . 17190 1 475 . 1 1 115 115 ASP H H 1 7.0700 0.010 . 1 . . . . 112 ASP HN . 17190 1 476 . 1 1 115 115 ASP C C 13 173.2890 0.078 . 1 . . . . 112 ASP C . 17190 1 477 . 1 1 115 115 ASP CA C 13 53.1702 0.078 . 1 . . . . 112 ASP CA . 17190 1 478 . 1 1 115 115 ASP N N 15 115.7150 0.120 . 1 . . . . 112 ASP N . 17190 1 479 . 1 1 116 116 GLN H H 1 7.8680 0.010 . 1 . . . . 113 GLN HN . 17190 1 480 . 1 1 116 116 GLN C C 13 176.1170 0.078 . 1 . . . . 113 GLN C . 17190 1 481 . 1 1 116 116 GLN CA C 13 57.2474 0.078 . 1 . . . . 113 GLN CA . 17190 1 482 . 1 1 116 116 GLN N N 15 111.8020 0.120 . 1 . . . . 113 GLN N . 17190 1 483 . 1 1 117 117 GLY H H 1 8.9090 0.010 . 1 . . . . 114 GLY HN . 17190 1 484 . 1 1 117 117 GLY C C 13 172.5460 0.078 . 1 . . . . 114 GLY C . 17190 1 485 . 1 1 117 117 GLY CA C 13 46.6814 0.078 . 1 . . . . 114 GLY CA . 17190 1 486 . 1 1 117 117 GLY N N 15 110.2130 0.120 . 1 . . . . 114 GLY N . 17190 1 487 . 1 1 118 118 ILE H H 1 7.6830 0.010 . 1 . . . . 115 ILE HN . 17190 1 488 . 1 1 118 118 ILE C C 13 172.3720 0.078 . 1 . . . . 115 ILE C . 17190 1 489 . 1 1 118 118 ILE CA C 13 61.3316 0.078 . 1 . . . . 115 ILE CA . 17190 1 490 . 1 1 118 118 ILE N N 15 116.2120 0.120 . 1 . . . . 115 ILE N . 17190 1 491 . 1 1 119 119 ASP H H 1 6.8930 0.010 . 1 . . . . 116 ASP HN . 17190 1 492 . 1 1 119 119 ASP CA C 13 52.1301 0.078 . 1 . . . . 116 ASP CA . 17190 1 493 . 1 1 119 119 ASP N N 15 122.6110 0.120 . 1 . . . . 116 ASP N . 17190 1 494 . 1 1 120 120 HIS C C 13 176.1410 0.078 . 1 . . . . 117 HIS C . 17190 1 495 . 1 1 120 120 HIS CA C 13 60.3370 0.078 . 1 . . . . 117 HIS CA . 17190 1 496 . 1 1 120 120 HIS CB C 13 33.1245 0.078 . 1 . . . . 117 HIS CB . 17190 1 497 . 1 1 121 121 VAL H H 1 6.9070 0.010 . 1 . . . . 118 VAL HN . 17190 1 498 . 1 1 121 121 VAL C C 13 178.9740 0.078 . 1 . . . . 118 VAL C . 17190 1 499 . 1 1 121 121 VAL CA C 13 66.3356 0.078 . 1 . . . . 118 VAL CA . 17190 1 500 . 1 1 121 121 VAL N N 15 120.6660 0.120 . 1 . . . . 118 VAL N . 17190 1 501 . 1 1 122 122 LEU H H 1 8.6240 0.010 . 1 . . . . 119 LEU HN . 17190 1 502 . 1 1 122 122 LEU C C 13 178.3860 0.078 . 1 . . . . 119 LEU C . 17190 1 503 . 1 1 122 122 LEU CA C 13 57.8655 0.078 . 1 . . . . 119 LEU CA . 17190 1 504 . 1 1 122 122 LEU CB C 13 42.1665 0.078 . 1 . . . . 119 LEU CB . 17190 1 505 . 1 1 122 122 LEU N N 15 119.9080 0.120 . 1 . . . . 119 LEU N . 17190 1 506 . 1 1 123 123 ALA H H 1 8.4690 0.010 . 1 . . . . 120 ALA HN . 17190 1 507 . 1 1 123 123 ALA C C 13 178.5070 0.078 . 1 . . . . 120 ALA C . 17190 1 508 . 1 1 123 123 ALA CA C 13 55.5616 0.078 . 1 . . . . 120 ALA CA . 17190 1 509 . 1 1 123 123 ALA CB C 13 18.2290 0.078 . 1 . . . . 120 ALA CB . 17190 1 510 . 1 1 123 123 ALA N N 15 119.8019 0.120 . 1 . . . . 120 ALA N . 17190 1 511 . 1 1 124 124 ARG H H 1 7.3469 0.010 . 1 . . . . 121 ARG HN . 17190 1 512 . 1 1 124 124 ARG C C 13 178.1460 0.078 . 1 . . . . 121 ARG C . 17190 1 513 . 1 1 124 124 ARG CA C 13 60.1615 0.078 . 1 . . . . 121 ARG CA . 17190 1 514 . 1 1 124 124 ARG CB C 13 30.0802 0.078 . 1 . . . . 121 ARG CB . 17190 1 515 . 1 1 124 124 ARG N N 15 116.3020 0.120 . 1 . . . . 121 ARG N . 17190 1 516 . 1 1 125 125 MET H H 1 7.7750 0.010 . 1 . . . . 122 MET HN . 17190 1 517 . 1 1 125 125 MET C C 13 178.3430 0.078 . 1 . . . . 122 MET C . 17190 1 518 . 1 1 125 125 MET CA C 13 59.4396 0.078 . 1 . . . . 122 MET CA . 17190 1 519 . 1 1 125 125 MET N N 15 118.8020 0.120 . 1 . . . . 122 MET N . 17190 1 520 . 1 1 126 126 MET H H 1 8.5960 0.010 . 1 . . . . 123 MET HN . 17190 1 521 . 1 1 126 126 MET C C 13 178.6260 0.078 . 1 . . . . 123 MET C . 17190 1 522 . 1 1 126 126 MET CA C 13 61.0822 0.078 . 1 . . . . 123 MET CA . 17190 1 523 . 1 1 126 126 MET N N 15 118.7130 0.120 . 1 . . . . 123 MET N . 17190 1 524 . 1 1 127 127 ASN H H 1 7.9230 0.010 . 1 . . . . 124 ASN HN . 17190 1 525 . 1 1 127 127 ASN C C 13 175.5750 0.078 . 1 . . . . 124 ASN C . 17190 1 526 . 1 1 127 127 ASN CA C 13 58.0994 0.078 . 1 . . . . 124 ASN CA . 17190 1 527 . 1 1 127 127 ASN CB C 13 39.6811 0.078 . 1 . . . . 124 ASN CB . 17190 1 528 . 1 1 127 127 ASN N N 15 116.7130 0.120 . 1 . . . . 124 ASN N . 17190 1 529 . 1 1 128 128 LYS H H 1 8.1950 0.010 . 1 . . . . 125 LYS HN . 17190 1 530 . 1 1 128 128 LYS C C 13 178.5170 0.078 . 1 . . . . 125 LYS C . 17190 1 531 . 1 1 128 128 LYS CA C 13 59.1258 0.078 . 1 . . . . 125 LYS CA . 17190 1 532 . 1 1 128 128 LYS CB C 13 32.3864 0.078 . 1 . . . . 125 LYS CB . 17190 1 533 . 1 1 128 128 LYS N N 15 121.4330 0.120 . 1 . . . . 125 LYS N . 17190 1 534 . 1 1 129 129 ARG H H 1 8.0690 0.010 . 1 . . . . 126 ARG HN . 17190 1 535 . 1 1 129 129 ARG C C 13 176.1610 0.078 . 1 . . . . 126 ARG C . 17190 1 536 . 1 1 129 129 ARG CA C 13 54.7971 0.078 . 1 . . . . 126 ARG CA . 17190 1 537 . 1 1 129 129 ARG CB C 13 30.7862 0.078 . 1 . . . . 126 ARG CB . 17190 1 538 . 1 1 129 129 ARG N N 15 114.2130 0.120 . 1 . . . . 126 ARG N . 17190 1 539 . 1 1 130 130 GLY H H 1 7.8250 0.010 . 1 . . . . 127 GLY HN . 17190 1 540 . 1 1 130 130 GLY C C 13 174.1800 0.078 . 1 . . . . 127 GLY C . 17190 1 541 . 1 1 130 130 GLY CA C 13 47.1666 0.078 . 1 . . . . 127 GLY CA . 17190 1 542 . 1 1 130 130 GLY N N 15 110.3020 0.120 . 1 . . . . 127 GLY N . 17190 1 543 . 1 1 131 131 VAL H H 1 8.2480 0.010 . 1 . . . . 128 VAL HN . 17190 1 544 . 1 1 131 131 VAL C C 13 173.1780 0.078 . 1 . . . . 128 VAL C . 17190 1 545 . 1 1 131 131 VAL CA C 13 62.3410 0.078 . 1 . . . . 128 VAL CA . 17190 1 546 . 1 1 131 131 VAL N N 15 122.8080 0.120 . 1 . . . . 128 VAL N . 17190 1 547 . 1 1 132 132 ALA H H 1 7.7860 0.010 . 1 . . . . 129 ALA HN . 17190 1 548 . 1 1 132 132 ALA C C 13 175.7930 0.078 . 1 . . . . 129 ALA C . 17190 1 549 . 1 1 132 132 ALA CA C 13 50.2542 0.078 . 1 . . . . 129 ALA CA . 17190 1 550 . 1 1 132 132 ALA CB C 13 20.8211 0.078 . 1 . . . . 129 ALA CB . 17190 1 551 . 1 1 132 132 ALA N N 15 124.3350 0.120 . 1 . . . . 129 ALA N . 17190 1 552 . 1 1 133 133 LEU H H 1 8.1330 0.010 . 1 . . . . 130 LEU HN . 17190 1 553 . 1 1 133 133 LEU C C 13 175.0950 0.078 . 1 . . . . 130 LEU C . 17190 1 554 . 1 1 133 133 LEU CA C 13 52.5130 0.078 . 1 . . . . 130 LEU CA . 17190 1 555 . 1 1 133 133 LEU N N 15 120.1920 0.120 . 1 . . . . 130 LEU N . 17190 1 556 . 1 1 134 134 GLY H H 1 8.5574 0.010 . 1 . . . . 131 GLY HN . 17190 1 557 . 1 1 134 134 GLY C C 13 172.1320 0.078 . 1 . . . . 131 GLY C . 17190 1 558 . 1 1 134 134 GLY CA C 13 44.1608 0.078 . 1 . . . . 131 GLY CA . 17190 1 559 . 1 1 134 134 GLY N N 15 111.1890 0.120 . 1 . . . . 131 GLY N . 17190 1 560 . 1 1 135 135 PHE H H 1 8.7180 0.010 . 1 . . . . 132 PHE HN . 17190 1 561 . 1 1 135 135 PHE C C 13 174.6600 0.078 . 1 . . . . 132 PHE C . 17190 1 562 . 1 1 135 135 PHE CA C 13 57.9001 0.078 . 1 . . . . 132 PHE CA . 17190 1 563 . 1 1 135 135 PHE N N 15 124.2150 0.120 . 1 . . . . 132 PHE N . 17190 1 564 . 1 1 136 136 SER H H 1 7.2080 0.010 . 1 . . . . 133 SER HN . 17190 1 565 . 1 1 136 136 SER C C 13 175.3350 0.078 . 1 . . . . 133 SER C . 17190 1 566 . 1 1 136 136 SER CA C 13 57.4422 0.078 . 1 . . . . 133 SER CA . 17190 1 567 . 1 1 136 136 SER N N 15 115.5950 0.120 . 1 . . . . 133 SER N . 17190 1 568 . 1 1 137 137 LEU H H 1 8.7250 0.010 . 1 . . . . 134 LEU HN . 17190 1 569 . 1 1 137 137 LEU C C 13 177.4710 0.078 . 1 . . . . 134 LEU C . 17190 1 570 . 1 1 137 137 LEU CA C 13 57.1010 0.078 . 1 . . . . 134 LEU CA . 17190 1 571 . 1 1 137 137 LEU N N 15 123.0580 0.120 . 1 . . . . 134 LEU N . 17190 1 572 . 1 1 138 138 ARG H H 1 6.9850 0.010 . 1 . . . . 135 ARG HN . 17190 1 573 . 1 1 138 138 ARG CA C 13 61.8082 0.078 . 1 . . . . 135 ARG CA . 17190 1 574 . 1 1 138 138 ARG N N 15 115.7130 0.120 . 1 . . . . 135 ARG N . 17190 1 575 . 1 1 147 147 GLU C C 13 179.6912 0.078 . 1 . . . . 144 GLU C . 17190 1 576 . 1 1 147 147 GLU CA C 13 58.9364 0.078 . 1 . . . . 144 GLU CA . 17190 1 577 . 1 1 147 147 GLU CB C 13 29.5922 0.078 . 1 . . . . 144 GLU CB . 17190 1 578 . 1 1 148 148 ARG H H 1 8.6900 0.010 . 1 . . . . 145 ARG HN . 17190 1 579 . 1 1 148 148 ARG C C 13 177.6510 0.078 . 1 . . . . 145 ARG C . 17190 1 580 . 1 1 148 148 ARG CA C 13 59.2692 0.078 . 1 . . . . 145 ARG CA . 17190 1 581 . 1 1 148 148 ARG N N 15 120.2200 0.120 . 1 . . . . 145 ARG N . 17190 1 582 . 1 1 149 149 ALA H H 1 7.7060 0.010 . 1 . . . . 146 ALA HN . 17190 1 583 . 1 1 149 149 ALA C C 13 180.8270 0.078 . 1 . . . . 146 ALA C . 17190 1 584 . 1 1 149 149 ALA CA C 13 55.2923 0.078 . 1 . . . . 146 ALA CA . 17190 1 585 . 1 1 149 149 ALA CB C 13 17.6714 0.078 . 1 . . . . 146 ALA CB . 17190 1 586 . 1 1 149 149 ALA N N 15 119.8540 0.120 . 1 . . . . 146 ALA N . 17190 1 587 . 1 1 150 150 ASN H H 1 7.4510 0.010 . 1 . . . . 147 ASN HN . 17190 1 588 . 1 1 150 150 ASN C C 13 175.2700 0.078 . 1 . . . . 147 ASN C . 17190 1 589 . 1 1 150 150 ASN CA C 13 55.8449 0.078 . 1 . . . . 147 ASN CA . 17190 1 590 . 1 1 150 150 ASN N N 15 116.8780 0.120 . 1 . . . . 147 ASN N . 17190 1 591 . 1 1 151 151 ALA H H 1 8.0910 0.010 . 1 . . . . 148 ALA HN . 17190 1 592 . 1 1 151 151 ALA C C 13 180.2890 0.078 . 1 . . . . 148 ALA C . 17190 1 593 . 1 1 151 151 ALA CA C 13 55.9098 0.078 . 1 . . . . 148 ALA CA . 17190 1 594 . 1 1 151 151 ALA CB C 13 18.7084 0.078 . 1 . . . . 148 ALA CB . 17190 1 595 . 1 1 151 151 ALA N N 15 122.3380 0.120 . 1 . . . . 148 ALA N . 17190 1 596 . 1 1 152 152 LEU H H 1 8.4720 0.010 . 1 . . . . 149 LEU HN . 17190 1 597 . 1 1 152 152 LEU CA C 13 58.2853 0.078 . 1 . . . . 149 LEU CA . 17190 1 598 . 1 1 152 152 LEU N N 15 117.2130 0.120 . 1 . . . . 149 LEU N . 17190 1 599 . 1 1 157 157 LYS C C 13 179.5850 0.078 . 1 . . . . 154 LYS C . 17190 1 600 . 1 1 157 157 LYS CA C 13 59.8565 0.078 . 1 . . . . 154 LYS CA . 17190 1 601 . 1 1 157 157 LYS CB C 13 32.2581 0.078 . 1 . . . . 154 LYS CB . 17190 1 602 . 1 1 158 158 ALA H H 1 8.4050 0.010 . 1 . . . . 155 ALA HN . 17190 1 603 . 1 1 158 158 ALA C C 13 179.4760 0.078 . 1 . . . . 155 ALA C . 17190 1 604 . 1 1 158 158 ALA CA C 13 55.8599 0.078 . 1 . . . . 155 ALA CA . 17190 1 605 . 1 1 158 158 ALA CB C 13 18.5978 0.078 . 1 . . . . 155 ALA CB . 17190 1 606 . 1 1 158 158 ALA N N 15 121.2130 0.120 . 1 . . . . 155 ALA N . 17190 1 607 . 1 1 159 159 TRP H H 1 8.9890 0.010 . 1 . . . . 156 TRP HN . 17190 1 608 . 1 1 159 159 TRP C C 13 176.0980 0.078 . 1 . . . . 156 TRP C . 17190 1 609 . 1 1 159 159 TRP CA C 13 59.6616 0.078 . 1 . . . . 156 TRP CA . 17190 1 610 . 1 1 159 159 TRP N N 15 119.1860 0.120 . 1 . . . . 156 TRP N . 17190 1 611 . 1 1 160 160 THR H H 1 8.0720 0.010 . 1 . . . . 157 THR HN . 17190 1 612 . 1 1 160 160 THR C C 13 177.0790 0.078 . 1 . . . . 157 THR C . 17190 1 613 . 1 1 160 160 THR CA C 13 66.9248 0.078 . 1 . . . . 157 THR CA . 17190 1 614 . 1 1 160 160 THR N N 15 112.7130 0.120 . 1 . . . . 157 THR N . 17190 1 615 . 1 1 161 161 LEU H H 1 7.0830 0.010 . 1 . . . . 158 LEU HN . 17190 1 616 . 1 1 161 161 LEU C C 13 178.9530 0.078 . 1 . . . . 158 LEU C . 17190 1 617 . 1 1 161 161 LEU CA C 13 57.9847 0.078 . 1 . . . . 158 LEU CA . 17190 1 618 . 1 1 161 161 LEU N N 15 120.1870 0.120 . 1 . . . . 158 LEU N . 17190 1 619 . 1 1 162 162 VAL H H 1 8.4760 0.010 . 1 . . . . 159 VAL HN . 17190 1 620 . 1 1 162 162 VAL C C 13 177.4710 0.078 . 1 . . . . 159 VAL C . 17190 1 621 . 1 1 162 162 VAL CA C 13 66.0230 0.078 . 1 . . . . 159 VAL CA . 17190 1 622 . 1 1 162 162 VAL N N 15 119.8130 0.120 . 1 . . . . 159 VAL N . 17190 1 623 . 1 1 163 163 ASN H H 1 8.2490 0.010 . 1 . . . . 160 ASN HN . 17190 1 624 . 1 1 163 163 ASN C C 13 177.8850 0.078 . 1 . . . . 160 ASN C . 17190 1 625 . 1 1 163 163 ASN CA C 13 54.9178 0.078 . 1 . . . . 160 ASN CA . 17190 1 626 . 1 1 163 163 ASN N N 15 116.2250 0.120 . 1 . . . . 160 ASN N . 17190 1 627 . 1 1 164 164 LYS H H 1 7.4460 0.010 . 1 . . . . 161 LYS HN . 17190 1 628 . 1 1 164 164 LYS C C 13 177.6890 0.078 . 1 . . . . 161 LYS C . 17190 1 629 . 1 1 164 164 LYS CA C 13 59.3630 0.078 . 1 . . . . 161 LYS CA . 17190 1 630 . 1 1 164 164 LYS CB C 13 32.5890 0.078 . 1 . . . . 161 LYS CB . 17190 1 631 . 1 1 164 164 LYS N N 15 119.2130 0.120 . 1 . . . . 161 LYS N . 17190 1 632 . 1 1 165 165 TYR H H 1 7.8370 0.010 . 1 . . . . 162 TYR HN . 17190 1 633 . 1 1 165 165 TYR C C 13 173.6350 0.078 . 1 . . . . 162 TYR C . 17190 1 634 . 1 1 165 165 TYR CA C 13 58.9442 0.078 . 1 . . . . 162 TYR CA . 17190 1 635 . 1 1 165 165 TYR CB C 13 37.3776 0.078 . 1 . . . . 162 TYR CB . 17190 1 636 . 1 1 165 165 TYR N N 15 112.1440 0.120 . 1 . . . . 162 TYR N . 17190 1 637 . 1 1 166 166 LYS H H 1 7.4950 0.010 . 1 . . . . 163 LYS HN . 17190 1 638 . 1 1 166 166 LYS C C 13 176.2720 0.078 . 1 . . . . 163 LYS C . 17190 1 639 . 1 1 166 166 LYS CA C 13 56.9538 0.078 . 1 . . . . 163 LYS CA . 17190 1 640 . 1 1 166 166 LYS CB C 13 28.7050 0.078 . 1 . . . . 163 LYS CB . 17190 1 641 . 1 1 166 166 LYS N N 15 116.7270 0.120 . 1 . . . . 163 LYS N . 17190 1 642 . 1 1 167 167 VAL H H 1 8.6750 0.010 . 1 . . . . 164 VAL HN . 17190 1 643 . 1 1 167 167 VAL CA C 13 60.9911 0.078 . 1 . . . . 164 VAL CA . 17190 1 644 . 1 1 167 167 VAL N N 15 123.2180 0.120 . 1 . . . . 164 VAL N . 17190 1 645 . 1 1 168 168 PRO C C 13 179.4100 0.078 . 1 . . . . 165 PRO C . 17190 1 646 . 1 1 168 168 PRO CA C 13 63.8632 0.078 . 1 . . . . 165 PRO CA . 17190 1 647 . 1 1 168 168 PRO CB C 13 32.9345 0.078 . 1 . . . . 165 PRO CB . 17190 1 648 . 1 1 169 169 ARG H H 1 5.9820 0.010 . 1 . . . . 166 ARG HN . 17190 1 649 . 1 1 169 169 ARG C C 13 171.5210 0.078 . 1 . . . . 166 ARG C . 17190 1 650 . 1 1 169 169 ARG CA C 13 54.9960 0.078 . 1 . . . . 166 ARG CA . 17190 1 651 . 1 1 169 169 ARG N N 15 116.8020 0.120 . 1 . . . . 166 ARG N . 17190 1 652 . 1 1 170 170 PHE H H 1 8.0790 0.010 . 1 . . . . 167 PHE HN . 17190 1 653 . 1 1 170 170 PHE C C 13 173.4170 0.078 . 1 . . . . 167 PHE C . 17190 1 654 . 1 1 170 170 PHE CA C 13 55.6084 0.078 . 1 . . . . 167 PHE CA . 17190 1 655 . 1 1 170 170 PHE CB C 13 39.8418 0.078 . 1 . . . . 167 PHE CB . 17190 1 656 . 1 1 170 170 PHE N N 15 111.2130 0.120 . 1 . . . . 167 PHE N . 17190 1 657 . 1 1 171 171 ILE H H 1 7.2010 0.010 . 1 . . . . 168 ILE HN . 17190 1 658 . 1 1 171 171 ILE C C 13 173.7220 0.078 . 1 . . . . 168 ILE C . 17190 1 659 . 1 1 171 171 ILE CA C 13 59.9911 0.078 . 1 . . . . 168 ILE CA . 17190 1 660 . 1 1 171 171 ILE N N 15 119.6890 0.120 . 1 . . . . 168 ILE N . 17190 1 661 . 1 1 172 172 SER H H 1 8.5872 0.010 . 1 . . . . 169 SER HN . 17190 1 662 . 1 1 172 172 SER CA C 13 56.4260 0.078 . 1 . . . . 169 SER CA . 17190 1 663 . 1 1 172 172 SER N N 15 117.6660 0.120 . 1 . . . . 169 SER N . 17190 1 664 . 1 1 176 176 LYS C C 13 176.2940 0.078 . 1 . . . . 173 LYS C . 17190 1 665 . 1 1 176 176 LYS CA C 13 56.5153 0.078 . 1 . . . . 173 LYS CA . 17190 1 666 . 1 1 176 176 LYS CB C 13 32.8610 0.078 . 1 . . . . 173 LYS CB . 17190 1 667 . 1 1 177 177 GLY H H 1 7.4956 0.010 . 1 . . . . 174 GLY HN . 17190 1 668 . 1 1 177 177 GLY C C 13 174.4630 0.078 . 1 . . . . 174 GLY C . 17190 1 669 . 1 1 177 177 GLY CA C 13 44.5822 0.078 . 1 . . . . 174 GLY CA . 17190 1 670 . 1 1 177 177 GLY N N 15 105.7320 0.120 . 1 . . . . 174 GLY N . 17190 1 671 . 1 1 178 178 LYS H H 1 9.1870 0.010 . 1 . . . . 175 LYS HN . 17190 1 672 . 1 1 178 178 LYS CA C 13 60.4237 0.078 . 1 . . . . 175 LYS CA . 17190 1 673 . 1 1 178 178 LYS N N 15 122.7120 0.120 . 1 . . . . 175 LYS N . 17190 1 674 . 1 1 180 180 GLN C C 13 174.1100 0.078 . 1 . . . . 177 GLN C . 17190 1 675 . 1 1 180 180 GLN CA C 13 55.1056 0.078 . 1 . . . . 177 GLN CA . 17190 1 676 . 1 1 180 180 GLN CB C 13 28.8234 0.078 . 1 . . . . 177 GLN CB . 17190 1 677 . 1 1 181 181 VAL H H 1 6.9910 0.010 . 1 . . . . 178 VAL HN . 17190 1 678 . 1 1 181 181 VAL C C 13 175.7930 0.078 . 1 . . . . 178 VAL C . 17190 1 679 . 1 1 181 181 VAL CA C 13 63.6504 0.078 . 1 . . . . 178 VAL CA . 17190 1 680 . 1 1 181 181 VAL N N 15 120.2280 0.120 . 1 . . . . 178 VAL N . 17190 1 681 . 1 1 182 182 ARG H H 1 8.6330 0.010 . 1 . . . . 179 ARG HN . 17190 1 682 . 1 1 182 182 ARG C C 13 176.1410 0.078 . 1 . . . . 179 ARG C . 17190 1 683 . 1 1 182 182 ARG CA C 13 52.2728 0.078 . 1 . . . . 179 ARG CA . 17190 1 684 . 1 1 182 182 ARG N N 15 123.2090 0.120 . 1 . . . . 179 ARG N . 17190 1 685 . 1 1 183 183 GLY H H 1 7.5220 0.010 . 1 . . . . 180 GLY HN . 17190 1 686 . 1 1 183 183 GLY C C 13 172.6110 0.078 . 1 . . . . 180 GLY C . 17190 1 687 . 1 1 183 183 GLY CA C 13 44.5766 0.078 . 1 . . . . 180 GLY CA . 17190 1 688 . 1 1 183 183 GLY N N 15 103.7680 0.120 . 1 . . . . 180 GLY N . 17190 1 689 . 1 1 184 184 VAL H H 1 7.7860 0.010 . 1 . . . . 181 VAL HN . 17190 1 690 . 1 1 184 184 VAL C C 13 177.9700 0.078 . 1 . . . . 181 VAL C . 17190 1 691 . 1 1 184 184 VAL CA C 13 67.5208 0.078 . 1 . . . . 181 VAL CA . 17190 1 692 . 1 1 184 184 VAL N N 15 117.1810 0.120 . 1 . . . . 181 VAL N . 17190 1 693 . 1 1 185 185 LYS H H 1 7.8030 0.010 . 1 . . . . 182 LYS HN . 17190 1 694 . 1 1 185 185 LYS C C 13 178.9920 0.078 . 1 . . . . 182 LYS C . 17190 1 695 . 1 1 185 185 LYS CA C 13 59.4651 0.078 . 1 . . . . 182 LYS CA . 17190 1 696 . 1 1 185 185 LYS N N 15 117.3020 0.120 . 1 . . . . 182 LYS N . 17190 1 697 . 1 1 186 186 GLU H H 1 7.4700 0.010 . 1 . . . . 183 GLU HN . 17190 1 698 . 1 1 186 186 GLU C C 13 176.0540 0.078 . 1 . . . . 183 GLU C . 17190 1 699 . 1 1 186 186 GLU CA C 13 60.3184 0.078 . 1 . . . . 183 GLU CA . 17190 1 700 . 1 1 186 186 GLU N N 15 119.8040 0.120 . 1 . . . . 183 GLU N . 17190 1 701 . 1 1 187 187 LEU H H 1 7.8450 0.010 . 1 . . . . 184 LEU HN . 17190 1 702 . 1 1 187 187 LEU CA C 13 55.9117 0.078 . 1 . . . . 184 LEU CA . 17190 1 703 . 1 1 187 187 LEU N N 15 118.7910 0.120 . 1 . . . . 184 LEU N . 17190 1 704 . 1 1 188 188 ILE C C 13 177.1000 0.078 . 1 . . . . 185 ILE C . 17190 1 705 . 1 1 188 188 ILE CA C 13 66.8157 0.078 . 1 . . . . 185 ILE CA . 17190 1 706 . 1 1 189 189 SER H H 1 7.9562 0.010 . 1 . . . . 186 SER HN . 17190 1 707 . 1 1 189 189 SER CA C 13 61.5198 0.078 . 1 . . . . 186 SER CA . 17190 1 708 . 1 1 189 189 SER N N 15 109.2100 0.120 . 1 . . . . 186 SER N . 17190 1 709 . 1 1 190 190 LEU H H 1 8.2490 0.010 . 1 . . . . 187 LEU HN . 17190 1 710 . 1 1 190 190 LEU C C 13 176.7950 0.078 . 1 . . . . 187 LEU C . 17190 1 711 . 1 1 190 190 LEU CA C 13 58.2230 0.078 . 1 . . . . 187 LEU CA . 17190 1 712 . 1 1 190 190 LEU N N 15 120.2130 0.120 . 1 . . . . 187 LEU N . 17190 1 713 . 1 1 191 191 GLY H H 1 7.4475 0.010 . 1 . . . . 188 GLY HN . 17190 1 714 . 1 1 191 191 GLY C C 13 173.2310 0.078 . 1 . . . . 188 GLY C . 17190 1 715 . 1 1 191 191 GLY CA C 13 48.3006 0.078 . 1 . . . . 188 GLY CA . 17190 1 716 . 1 1 191 191 GLY N N 15 106.1000 0.120 . 1 . . . . 188 GLY N . 17190 1 717 . 1 1 192 192 ILE H H 1 8.1030 0.010 . 1 . . . . 189 ILE HN . 17190 1 718 . 1 1 192 192 ILE C C 13 179.7590 0.078 . 1 . . . . 189 ILE C . 17190 1 719 . 1 1 192 192 ILE CA C 13 62.8872 0.078 . 1 . . . . 189 ILE CA . 17190 1 720 . 1 1 192 192 ILE N N 15 122.3040 0.120 . 1 . . . . 189 ILE N . 17190 1 721 . 1 1 193 193 ALA H H 1 7.4910 0.010 . 1 . . . . 190 ALA HN . 17190 1 722 . 1 1 193 193 ALA C C 13 179.5410 0.078 . 1 . . . . 190 ALA C . 17190 1 723 . 1 1 193 193 ALA CA C 13 54.8820 0.078 . 1 . . . . 190 ALA CA . 17190 1 724 . 1 1 193 193 ALA N N 15 124.2070 0.120 . 1 . . . . 190 ALA N . 17190 1 725 . 1 1 194 194 ILE H H 1 7.2070 0.010 . 1 . . . . 191 ILE HN . 17190 1 726 . 1 1 194 194 ILE C C 13 173.3080 0.078 . 1 . . . . 191 ILE C . 17190 1 727 . 1 1 194 194 ILE CA C 13 61.6402 0.078 . 1 . . . . 191 ILE CA . 17190 1 728 . 1 1 194 194 ILE N N 15 111.0520 0.120 . 1 . . . . 191 ILE N . 17190 1 729 . 1 1 195 195 GLY H H 1 7.1860 0.010 . 1 . . . . 192 GLY HN . 17190 1 730 . 1 1 195 195 GLY C C 13 175.4220 0.078 . 1 . . . . 192 GLY C . 17190 1 731 . 1 1 195 195 GLY CA C 13 44.5286 0.078 . 1 . . . . 192 GLY CA . 17190 1 732 . 1 1 195 195 GLY N N 15 103.8400 0.120 . 1 . . . . 192 GLY N . 17190 1 733 . 1 1 196 196 MET H H 1 7.5690 0.010 . 1 . . . . 193 MET HN . 17190 1 734 . 1 1 196 196 MET C C 13 176.7510 0.078 . 1 . . . . 193 MET C . 17190 1 735 . 1 1 196 196 MET CA C 13 56.5762 0.078 . 1 . . . . 193 MET CA . 17190 1 736 . 1 1 196 196 MET N N 15 119.2270 0.120 . 1 . . . . 193 MET N . 17190 1 737 . 1 1 197 197 GLU H H 1 8.4670 0.010 . 1 . . . . 194 GLU HN . 17190 1 738 . 1 1 197 197 GLU C C 13 178.6480 0.078 . 1 . . . . 194 GLU C . 17190 1 739 . 1 1 197 197 GLU CA C 13 55.9844 0.078 . 1 . . . . 194 GLU CA . 17190 1 740 . 1 1 197 197 GLU N N 15 118.5410 0.120 . 1 . . . . 194 GLU N . 17190 1 741 . 1 1 198 198 GLU H H 1 9.1200 0.010 . 1 . . . . 195 GLU HN . 17190 1 742 . 1 1 198 198 GLU C C 13 178.5380 0.078 . 1 . . . . 195 GLU C . 17190 1 743 . 1 1 198 198 GLU CA C 13 61.6136 0.078 . 1 . . . . 195 GLU CA . 17190 1 744 . 1 1 198 198 GLU N N 15 125.3650 0.120 . 1 . . . . 195 GLU N . 17190 1 745 . 1 1 199 199 VAL H H 1 8.5670 0.010 . 1 . . . . 196 VAL HN . 17190 1 746 . 1 1 199 199 VAL C C 13 178.3210 0.078 . 1 . . . . 196 VAL C . 17190 1 747 . 1 1 199 199 VAL CA C 13 66.2527 0.078 . 1 . . . . 196 VAL CA . 17190 1 748 . 1 1 199 199 VAL N N 15 114.7140 0.120 . 1 . . . . 196 VAL N . 17190 1 749 . 1 1 200 200 GLN H H 1 6.8990 0.010 . 1 . . . . 197 GLN HN . 17190 1 750 . 1 1 200 200 GLN C C 13 179.4540 0.078 . 1 . . . . 197 GLN C . 17190 1 751 . 1 1 200 200 GLN CA C 13 57.8408 0.078 . 1 . . . . 197 GLN CA . 17190 1 752 . 1 1 200 200 GLN N N 15 120.1970 0.120 . 1 . . . . 197 GLN N . 17190 1 753 . 1 1 201 201 ALA H H 1 8.4250 0.010 . 1 . . . . 198 ALA HN . 17190 1 754 . 1 1 201 201 ALA C C 13 179.5190 0.078 . 1 . . . . 198 ALA C . 17190 1 755 . 1 1 201 201 ALA CA C 13 55.2750 0.078 . 1 . . . . 198 ALA CA . 17190 1 756 . 1 1 201 201 ALA CB C 13 19.0579 0.078 . 1 . . . . 198 ALA CB . 17190 1 757 . 1 1 201 201 ALA N N 15 126.7220 0.120 . 1 . . . . 198 ALA N . 17190 1 758 . 1 1 202 202 LYS H H 1 8.6160 0.010 . 1 . . . . 199 LYS HN . 17190 1 759 . 1 1 202 202 LYS C C 13 181.1320 0.078 . 1 . . . . 199 LYS C . 17190 1 760 . 1 1 202 202 LYS CA C 13 61.3032 0.078 . 1 . . . . 199 LYS CA . 17190 1 761 . 1 1 202 202 LYS CB C 13 32.4496 0.078 . 1 . . . . 199 LYS CB . 17190 1 762 . 1 1 202 202 LYS N N 15 117.2060 0.120 . 1 . . . . 199 LYS N . 17190 1 763 . 1 1 203 203 ALA H H 1 8.2320 0.010 . 1 . . . . 200 ALA HN . 17190 1 764 . 1 1 203 203 ALA C C 13 180.3040 0.078 . 1 . . . . 200 ALA C . 17190 1 765 . 1 1 203 203 ALA CA C 13 55.9930 0.078 . 1 . . . . 200 ALA CA . 17190 1 766 . 1 1 203 203 ALA CB C 13 18.5377 0.078 . 1 . . . . 200 ALA CB . 17190 1 767 . 1 1 203 203 ALA N N 15 123.1830 0.120 . 1 . . . . 200 ALA N . 17190 1 768 . 1 1 204 204 SER H H 1 7.9740 0.010 . 1 . . . . 201 SER HN . 17190 1 769 . 1 1 204 204 SER C C 13 172.2190 0.078 . 1 . . . . 201 SER C . 17190 1 770 . 1 1 204 204 SER CA C 13 61.9964 0.078 . 1 . . . . 201 SER CA . 17190 1 771 . 1 1 204 204 SER N N 15 115.7450 0.120 . 1 . . . . 201 SER N . 17190 1 772 . 1 1 205 205 LEU H H 1 7.5130 0.010 . 1 . . . . 202 LEU HN . 17190 1 773 . 1 1 205 205 LEU C C 13 175.3220 0.078 . 1 . . . . 202 LEU C . 17190 1 774 . 1 1 205 205 LEU CA C 13 54.5232 0.078 . 1 . . . . 202 LEU CA . 17190 1 775 . 1 1 205 205 LEU N N 15 118.2490 0.120 . 1 . . . . 202 LEU N . 17190 1 776 . 1 1 206 206 SER H H 1 7.7370 0.010 . 1 . . . . 203 SER HN . 17190 1 777 . 1 1 206 206 SER C C 13 173.3730 0.078 . 1 . . . . 203 SER C . 17190 1 778 . 1 1 206 206 SER CA C 13 57.8548 0.078 . 1 . . . . 203 SER CA . 17190 1 779 . 1 1 206 206 SER CB C 13 65.6034 0.078 . 1 . . . . 203 SER CB . 17190 1 780 . 1 1 206 206 SER N N 15 113.2120 0.120 . 1 . . . . 203 SER N . 17190 1 781 . 1 1 207 207 PHE H H 1 8.1715 0.010 . 1 . . . . 204 PHE HN . 17190 1 782 . 1 1 207 207 PHE C C 13 177.5580 0.078 . 1 . . . . 204 PHE C . 17190 1 783 . 1 1 207 207 PHE CA C 13 62.2868 0.078 . 1 . . . . 204 PHE CA . 17190 1 784 . 1 1 207 207 PHE CB C 13 40.4063 0.078 . 1 . . . . 204 PHE CB . 17190 1 785 . 1 1 207 207 PHE N N 15 123.5800 0.120 . 1 . . . . 204 PHE N . 17190 1 786 . 1 1 208 208 TYR H H 1 8.7010 0.010 . 1 . . . . 205 TYR HN . 17190 1 787 . 1 1 208 208 TYR CA C 13 64.7244 0.078 . 1 . . . . 205 TYR CA . 17190 1 788 . 1 1 208 208 TYR N N 15 114.7120 0.120 . 1 . . . . 205 TYR N . 17190 1 789 . 1 1 209 209 PRO C C 13 177.2740 0.078 . 1 . . . . 206 PRO C . 17190 1 790 . 1 1 209 209 PRO CA C 13 67.6333 0.078 . 1 . . . . 206 PRO CA . 17190 1 791 . 1 1 210 210 LEU H H 1 8.3650 0.010 . 1 . . . . 207 LEU HN . 17190 1 792 . 1 1 210 210 LEU C C 13 179.4760 0.078 . 1 . . . . 207 LEU C . 17190 1 793 . 1 1 210 210 LEU CA C 13 58.4898 0.078 . 1 . . . . 207 LEU CA . 17190 1 794 . 1 1 210 210 LEU CB C 13 41.3813 0.078 . 1 . . . . 207 LEU CB . 17190 1 795 . 1 1 210 210 LEU N N 15 115.7190 0.120 . 1 . . . . 207 LEU N . 17190 1 796 . 1 1 211 211 GLY H H 1 7.8210 0.010 . 1 . . . . 208 GLY HN . 17190 1 797 . 1 1 211 211 GLY C C 13 175.9670 0.078 . 1 . . . . 208 GLY C . 17190 1 798 . 1 1 211 211 GLY CA C 13 46.8006 0.078 . 1 . . . . 208 GLY CA . 17190 1 799 . 1 1 211 211 GLY N N 15 106.3260 0.120 . 1 . . . . 208 GLY N . 17190 1 800 . 1 1 212 212 ILE H H 1 7.6760 0.010 . 1 . . . . 209 ILE HN . 17190 1 801 . 1 1 212 212 ILE C C 13 177.4850 0.078 . 1 . . . . 209 ILE C . 17190 1 802 . 1 1 212 212 ILE CA C 13 64.7312 0.078 . 1 . . . . 209 ILE CA . 17190 1 803 . 1 1 212 212 ILE N N 15 122.6620 0.120 . 1 . . . . 209 ILE N . 17190 1 804 . 1 1 213 213 LEU H H 1 8.0630 0.010 . 1 . . . . 210 LEU HN . 17190 1 805 . 1 1 213 213 LEU C C 13 179.1490 0.078 . 1 . . . . 210 LEU C . 17190 1 806 . 1 1 213 213 LEU CA C 13 57.5620 0.078 . 1 . . . . 210 LEU CA . 17190 1 807 . 1 1 213 213 LEU CB C 13 42.6572 0.078 . 1 . . . . 210 LEU CB . 17190 1 808 . 1 1 213 213 LEU N N 15 117.3090 0.120 . 1 . . . . 210 LEU N . 17190 1 809 . 1 1 214 214 GLU H H 1 7.7160 0.010 . 1 . . . . 211 GLU HN . 17190 1 810 . 1 1 214 214 GLU C C 13 177.1880 0.078 . 1 . . . . 211 GLU C . 17190 1 811 . 1 1 214 214 GLU CA C 13 58.4606 0.078 . 1 . . . . 211 GLU CA . 17190 1 812 . 1 1 214 214 GLU CB C 13 28.6379 0.078 . 1 . . . . 211 GLU CB . 17190 1 813 . 1 1 214 214 GLU N N 15 116.7520 0.120 . 1 . . . . 211 GLU N . 17190 1 814 . 1 1 215 215 ARG H H 1 7.4700 0.010 . 1 . . . . 212 ARG HN . 17190 1 815 . 1 1 215 215 ARG C C 13 176.9690 0.078 . 1 . . . . 212 ARG C . 17190 1 816 . 1 1 215 215 ARG CA C 13 58.1636 0.078 . 1 . . . . 212 ARG CA . 17190 1 817 . 1 1 215 215 ARG CB C 13 28.6681 0.078 . 1 . . . . 212 ARG CB . 17190 1 818 . 1 1 215 215 ARG N N 15 115.9290 0.120 . 1 . . . . 212 ARG N . 17190 1 819 . 1 1 216 216 LEU H H 1 7.5460 0.010 . 1 . . . . 213 LEU HN . 17190 1 820 . 1 1 216 216 LEU C C 13 176.1640 0.078 . 1 . . . . 213 LEU C . 17190 1 821 . 1 1 216 216 LEU CA C 13 54.9500 0.078 . 1 . . . . 213 LEU CA . 17190 1 822 . 1 1 216 216 LEU CB C 13 42.3174 0.078 . 1 . . . . 213 LEU CB . 17190 1 823 . 1 1 216 216 LEU N N 15 120.2130 0.120 . 1 . . . . 213 LEU N . 17190 1 824 . 1 1 217 217 LYS H H 1 7.4660 0.010 . 1 . . . . 214 LYS HN . 17190 1 825 . 1 1 217 217 LYS CA C 13 57.6107 0.078 . 1 . . . . 214 LYS CA . 17190 1 stop_ save_