data_15875 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15875 _Entry.Title ; Backbone Chemical Shift Assignments and Relaxation Data for S. pombe Aps1d2-19 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-07-14 _Entry.Accession_date 2008-07-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 John Garza . A. . 15875 2 Udayar Ilangovan . . . 15875 3 Andrew Hinck . P. . 15875 4 Larry Barnes . D. . 15875 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15875 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 503 15875 '15N chemical shifts' 159 15875 '1H chemical shifts' 159 15875 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-07-01 2008-07-14 update BMRB 'complete entry citation' 15875 1 . . 2009-05-29 2008-07-14 original author 'original release' 15875 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15875 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19462967 _Citation.Full_citation . _Citation.Title 'Kinetic, Dynamic, Ligand Binding Properties, and Structural Models of a Dual-Substrate Specific Nudix Hydrolase from Schizosaccharomyces pombe' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 48 _Citation.Journal_issue 26 _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 6224 _Citation.Page_last 6239 _Citation.Year 2009 _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 John Garza . A. . 15875 1 2 Udayar Ilangovan . . . 15875 1 3 Andrew Hinck . P. . 15875 1 4 Larry Barnes . D. . 15875 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15875 _Assembly.ID 1 _Assembly.Name 'Nudix hydrolase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 24444 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Nudix hydrolase' 1 $Nudix_hydrolase A . yes native no no . . . 15875 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1vc8 . . X-ray 2.0 homolog . 15875 1 yes PDB 2fvv . . X-ray 1.25 homolog . 15875 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nudix_hydrolase _Entity.Sf_category entity _Entity.Sf_framecode Nudix_hydrolase _Entity.Entry_ID 15875 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nudix_hydrolase _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 ; MGSSHHHHHHHHHHSSGLVP RGSHMVNRSMTSREGRTKNR FNPITGARLAAGVVALSADK RKVLLVSSAKKHPSWVVPKG GWEADESVQQAALREGWEEG GLVGHITRSLGSFKDKRPTD TIDRRKKYLKQLMSKSSGND VSTNTELGAEAEKLLLPPRA ECEFFEVIVERLEDNYPEMR KRRRKWMSYQEAKEALTSRK DILAALEKSSIIKEEN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Initial 24 residues, labeled (-23-0) are non-native His tag sequence. M is residue 1 and the following V is residue 20 then 21, 22 etc. These are labeled according to wildtype Aps1.' _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 216 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'N-terminal truncation of residues 2-19 of S. pombe Aps1' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24444 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 yes EMBL AAD20015 . Aps1 . . . . . . . . . . . . . . 15875 1 2 no EMBL CAA91107 . "diadenosine 5',5'''-p1,p6-hexaphosphate hydrolase Aps1 [Schizosaccharomyces pombe]" . . . . . 88.43 210 100.00 100.00 6.13e-135 . . . . 15875 1 3 no GB AAD20015 . "diadenosine 5', 5'''-P1,P6-hexaphosphate hydrolase [Schizosaccharomyces pombe]" . . . . . 88.43 210 100.00 100.00 6.13e-135 . . . . 15875 1 4 no REF NP_592840 . "diadenosine 5',5'''-p1,p6-hexaphosphate hydrolase Aps1 [Schizosaccharomyces pombe 972h-]" . . . . . 88.43 210 100.00 100.00 6.13e-135 . . . . 15875 1 5 no SP Q09790 . "RecName: Full=Diphosphoinositol polyphosphate phosphohydrolase aps1; AltName: Full=Diadenosine 5',5'''-P1,P6-hexaphosphate hydr" . . . . . 88.43 210 100.00 100.00 6.13e-135 . . . . 15875 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'diadenosine 5',5'''-P1,Pn-oligophosphate hydrolase' 15875 1 'diphosphoinositol polyphosphate hydrolase' 15875 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 -23 MET . 15875 1 2 -22 GLY . 15875 1 3 -21 SER . 15875 1 4 -20 SER . 15875 1 5 -19 HIS . 15875 1 6 -18 HIS . 15875 1 7 -17 HIS . 15875 1 8 -16 HIS . 15875 1 9 -15 HIS . 15875 1 10 -14 HIS . 15875 1 11 -13 HIS . 15875 1 12 -12 HIS . 15875 1 13 -11 HIS . 15875 1 14 -10 HIS . 15875 1 15 -9 SER . 15875 1 16 -8 SER . 15875 1 17 -7 GLY . 15875 1 18 -6 LEU . 15875 1 19 -5 VAL . 15875 1 20 -4 PRO . 15875 1 21 -3 ARG . 15875 1 22 -2 GLY . 15875 1 23 -1 SER . 15875 1 24 0 HIS . 15875 1 25 1 MET . 15875 1 26 20 VAL . 15875 1 27 21 ASN . 15875 1 28 22 ARG . 15875 1 29 23 SER . 15875 1 30 24 MET . 15875 1 31 25 THR . 15875 1 32 26 SER . 15875 1 33 27 ARG . 15875 1 34 28 GLU . 15875 1 35 29 GLY . 15875 1 36 30 ARG . 15875 1 37 31 THR . 15875 1 38 32 LYS . 15875 1 39 33 ASN . 15875 1 40 34 ARG . 15875 1 41 35 PHE . 15875 1 42 36 ASN . 15875 1 43 37 PRO . 15875 1 44 38 ILE . 15875 1 45 39 THR . 15875 1 46 40 GLY . 15875 1 47 41 ALA . 15875 1 48 42 ARG . 15875 1 49 43 LEU . 15875 1 50 44 ALA . 15875 1 51 45 ALA . 15875 1 52 46 GLY . 15875 1 53 47 VAL . 15875 1 54 48 VAL . 15875 1 55 49 ALA . 15875 1 56 50 LEU . 15875 1 57 51 SER . 15875 1 58 52 ALA . 15875 1 59 53 ASP . 15875 1 60 54 LYS . 15875 1 61 55 ARG . 15875 1 62 56 LYS . 15875 1 63 57 VAL . 15875 1 64 58 LEU . 15875 1 65 59 LEU . 15875 1 66 60 VAL . 15875 1 67 61 SER . 15875 1 68 62 SER . 15875 1 69 63 ALA . 15875 1 70 64 LYS . 15875 1 71 65 LYS . 15875 1 72 66 HIS . 15875 1 73 67 PRO . 15875 1 74 68 SER . 15875 1 75 69 TRP . 15875 1 76 70 VAL . 15875 1 77 71 VAL . 15875 1 78 72 PRO . 15875 1 79 73 LYS . 15875 1 80 74 GLY . 15875 1 81 75 GLY . 15875 1 82 76 TRP . 15875 1 83 77 GLU . 15875 1 84 78 ALA . 15875 1 85 79 ASP . 15875 1 86 80 GLU . 15875 1 87 81 SER . 15875 1 88 82 VAL . 15875 1 89 83 GLN . 15875 1 90 84 GLN . 15875 1 91 85 ALA . 15875 1 92 86 ALA . 15875 1 93 87 LEU . 15875 1 94 88 ARG . 15875 1 95 89 GLU . 15875 1 96 90 GLY . 15875 1 97 91 TRP . 15875 1 98 92 GLU . 15875 1 99 93 GLU . 15875 1 100 94 GLY . 15875 1 101 95 GLY . 15875 1 102 96 LEU . 15875 1 103 97 VAL . 15875 1 104 98 GLY . 15875 1 105 99 HIS . 15875 1 106 100 ILE . 15875 1 107 101 THR . 15875 1 108 102 ARG . 15875 1 109 103 SER . 15875 1 110 104 LEU . 15875 1 111 105 GLY . 15875 1 112 106 SER . 15875 1 113 107 PHE . 15875 1 114 108 LYS . 15875 1 115 109 ASP . 15875 1 116 110 LYS . 15875 1 117 111 ARG . 15875 1 118 112 PRO . 15875 1 119 113 THR . 15875 1 120 114 ASP . 15875 1 121 115 THR . 15875 1 122 116 ILE . 15875 1 123 117 ASP . 15875 1 124 118 ARG . 15875 1 125 119 ARG . 15875 1 126 120 LYS . 15875 1 127 121 LYS . 15875 1 128 122 TYR . 15875 1 129 123 LEU . 15875 1 130 124 LYS . 15875 1 131 125 GLN . 15875 1 132 126 LEU . 15875 1 133 127 MET . 15875 1 134 128 SER . 15875 1 135 129 LYS . 15875 1 136 130 SER . 15875 1 137 131 SER . 15875 1 138 132 GLY . 15875 1 139 133 ASN . 15875 1 140 134 ASP . 15875 1 141 135 VAL . 15875 1 142 136 SER . 15875 1 143 137 THR . 15875 1 144 138 ASN . 15875 1 145 139 THR . 15875 1 146 140 GLU . 15875 1 147 141 LEU . 15875 1 148 142 GLY . 15875 1 149 143 ALA . 15875 1 150 144 GLU . 15875 1 151 145 ALA . 15875 1 152 146 GLU . 15875 1 153 147 LYS . 15875 1 154 148 LEU . 15875 1 155 149 LEU . 15875 1 156 150 LEU . 15875 1 157 151 PRO . 15875 1 158 152 PRO . 15875 1 159 153 ARG . 15875 1 160 154 ALA . 15875 1 161 155 GLU . 15875 1 162 156 CYS . 15875 1 163 157 GLU . 15875 1 164 158 PHE . 15875 1 165 159 PHE . 15875 1 166 160 GLU . 15875 1 167 161 VAL . 15875 1 168 162 ILE . 15875 1 169 163 VAL . 15875 1 170 164 GLU . 15875 1 171 165 ARG . 15875 1 172 166 LEU . 15875 1 173 167 GLU . 15875 1 174 168 ASP . 15875 1 175 169 ASN . 15875 1 176 170 TYR . 15875 1 177 171 PRO . 15875 1 178 172 GLU . 15875 1 179 173 MET . 15875 1 180 174 ARG . 15875 1 181 175 LYS . 15875 1 182 176 ARG . 15875 1 183 177 ARG . 15875 1 184 178 ARG . 15875 1 185 179 LYS . 15875 1 186 180 TRP . 15875 1 187 181 MET . 15875 1 188 182 SER . 15875 1 189 183 TYR . 15875 1 190 184 GLN . 15875 1 191 185 GLU . 15875 1 192 186 ALA . 15875 1 193 187 LYS . 15875 1 194 188 GLU . 15875 1 195 189 ALA . 15875 1 196 190 LEU . 15875 1 197 191 THR . 15875 1 198 192 SER . 15875 1 199 193 ARG . 15875 1 200 194 LYS . 15875 1 201 195 ASP . 15875 1 202 196 ILE . 15875 1 203 197 LEU . 15875 1 204 198 ALA . 15875 1 205 199 ALA . 15875 1 206 200 LEU . 15875 1 207 201 GLU . 15875 1 208 202 LYS . 15875 1 209 203 SER . 15875 1 210 204 SER . 15875 1 211 205 ILE . 15875 1 212 206 ILE . 15875 1 213 207 LYS . 15875 1 214 208 GLU . 15875 1 215 209 GLU . 15875 1 216 210 ASN . 15875 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15875 1 . GLY 2 2 15875 1 . SER 3 3 15875 1 . SER 4 4 15875 1 . HIS 5 5 15875 1 . HIS 6 6 15875 1 . HIS 7 7 15875 1 . HIS 8 8 15875 1 . HIS 9 9 15875 1 . HIS 10 10 15875 1 . HIS 11 11 15875 1 . HIS 12 12 15875 1 . HIS 13 13 15875 1 . HIS 14 14 15875 1 . SER 15 15 15875 1 . SER 16 16 15875 1 . GLY 17 17 15875 1 . LEU 18 18 15875 1 . VAL 19 19 15875 1 . PRO 20 20 15875 1 . ARG 21 21 15875 1 . GLY 22 22 15875 1 . SER 23 23 15875 1 . HIS 24 24 15875 1 . MET 25 25 15875 1 . VAL 26 26 15875 1 . ASN 27 27 15875 1 . ARG 28 28 15875 1 . SER 29 29 15875 1 . MET 30 30 15875 1 . THR 31 31 15875 1 . SER 32 32 15875 1 . ARG 33 33 15875 1 . GLU 34 34 15875 1 . GLY 35 35 15875 1 . ARG 36 36 15875 1 . THR 37 37 15875 1 . LYS 38 38 15875 1 . ASN 39 39 15875 1 . ARG 40 40 15875 1 . PHE 41 41 15875 1 . ASN 42 42 15875 1 . PRO 43 43 15875 1 . ILE 44 44 15875 1 . THR 45 45 15875 1 . GLY 46 46 15875 1 . ALA 47 47 15875 1 . ARG 48 48 15875 1 . LEU 49 49 15875 1 . ALA 50 50 15875 1 . ALA 51 51 15875 1 . GLY 52 52 15875 1 . VAL 53 53 15875 1 . VAL 54 54 15875 1 . ALA 55 55 15875 1 . LEU 56 56 15875 1 . SER 57 57 15875 1 . ALA 58 58 15875 1 . ASP 59 59 15875 1 . LYS 60 60 15875 1 . ARG 61 61 15875 1 . LYS 62 62 15875 1 . VAL 63 63 15875 1 . LEU 64 64 15875 1 . LEU 65 65 15875 1 . VAL 66 66 15875 1 . SER 67 67 15875 1 . SER 68 68 15875 1 . ALA 69 69 15875 1 . LYS 70 70 15875 1 . LYS 71 71 15875 1 . HIS 72 72 15875 1 . PRO 73 73 15875 1 . SER 74 74 15875 1 . TRP 75 75 15875 1 . VAL 76 76 15875 1 . VAL 77 77 15875 1 . PRO 78 78 15875 1 . LYS 79 79 15875 1 . GLY 80 80 15875 1 . GLY 81 81 15875 1 . TRP 82 82 15875 1 . GLU 83 83 15875 1 . ALA 84 84 15875 1 . ASP 85 85 15875 1 . GLU 86 86 15875 1 . SER 87 87 15875 1 . VAL 88 88 15875 1 . GLN 89 89 15875 1 . GLN 90 90 15875 1 . ALA 91 91 15875 1 . ALA 92 92 15875 1 . LEU 93 93 15875 1 . ARG 94 94 15875 1 . GLU 95 95 15875 1 . GLY 96 96 15875 1 . TRP 97 97 15875 1 . GLU 98 98 15875 1 . GLU 99 99 15875 1 . GLY 100 100 15875 1 . GLY 101 101 15875 1 . LEU 102 102 15875 1 . VAL 103 103 15875 1 . GLY 104 104 15875 1 . HIS 105 105 15875 1 . ILE 106 106 15875 1 . THR 107 107 15875 1 . ARG 108 108 15875 1 . SER 109 109 15875 1 . LEU 110 110 15875 1 . GLY 111 111 15875 1 . SER 112 112 15875 1 . PHE 113 113 15875 1 . LYS 114 114 15875 1 . ASP 115 115 15875 1 . LYS 116 116 15875 1 . ARG 117 117 15875 1 . PRO 118 118 15875 1 . THR 119 119 15875 1 . ASP 120 120 15875 1 . THR 121 121 15875 1 . ILE 122 122 15875 1 . ASP 123 123 15875 1 . ARG 124 124 15875 1 . ARG 125 125 15875 1 . LYS 126 126 15875 1 . LYS 127 127 15875 1 . TYR 128 128 15875 1 . LEU 129 129 15875 1 . LYS 130 130 15875 1 . GLN 131 131 15875 1 . LEU 132 132 15875 1 . MET 133 133 15875 1 . SER 134 134 15875 1 . LYS 135 135 15875 1 . SER 136 136 15875 1 . SER 137 137 15875 1 . GLY 138 138 15875 1 . ASN 139 139 15875 1 . ASP 140 140 15875 1 . VAL 141 141 15875 1 . SER 142 142 15875 1 . THR 143 143 15875 1 . ASN 144 144 15875 1 . THR 145 145 15875 1 . GLU 146 146 15875 1 . LEU 147 147 15875 1 . GLY 148 148 15875 1 . ALA 149 149 15875 1 . GLU 150 150 15875 1 . ALA 151 151 15875 1 . GLU 152 152 15875 1 . LYS 153 153 15875 1 . LEU 154 154 15875 1 . LEU 155 155 15875 1 . LEU 156 156 15875 1 . PRO 157 157 15875 1 . PRO 158 158 15875 1 . ARG 159 159 15875 1 . ALA 160 160 15875 1 . GLU 161 161 15875 1 . CYS 162 162 15875 1 . GLU 163 163 15875 1 . PHE 164 164 15875 1 . PHE 165 165 15875 1 . GLU 166 166 15875 1 . VAL 167 167 15875 1 . ILE 168 168 15875 1 . VAL 169 169 15875 1 . GLU 170 170 15875 1 . ARG 171 171 15875 1 . LEU 172 172 15875 1 . GLU 173 173 15875 1 . ASP 174 174 15875 1 . ASN 175 175 15875 1 . TYR 176 176 15875 1 . PRO 177 177 15875 1 . GLU 178 178 15875 1 . MET 179 179 15875 1 . ARG 180 180 15875 1 . LYS 181 181 15875 1 . ARG 182 182 15875 1 . ARG 183 183 15875 1 . ARG 184 184 15875 1 . LYS 185 185 15875 1 . TRP 186 186 15875 1 . MET 187 187 15875 1 . SER 188 188 15875 1 . TYR 189 189 15875 1 . GLN 190 190 15875 1 . GLU 191 191 15875 1 . ALA 192 192 15875 1 . LYS 193 193 15875 1 . GLU 194 194 15875 1 . ALA 195 195 15875 1 . LEU 196 196 15875 1 . THR 197 197 15875 1 . SER 198 198 15875 1 . ARG 199 199 15875 1 . LYS 200 200 15875 1 . ASP 201 201 15875 1 . ILE 202 202 15875 1 . LEU 203 203 15875 1 . ALA 204 204 15875 1 . ALA 205 205 15875 1 . LEU 206 206 15875 1 . GLU 207 207 15875 1 . LYS 208 208 15875 1 . SER 209 209 15875 1 . SER 210 210 15875 1 . ILE 211 211 15875 1 . ILE 212 212 15875 1 . LYS 213 213 15875 1 . GLU 214 214 15875 1 . GLU 215 215 15875 1 . ASN 216 216 15875 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15875 _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 $Nudix_hydrolase . 4896 organism . 'Schizosaccharomyces pombe' 'fission yeast' . . Eukaryota Fungi Schizosaccharomyces pombe . . . . . . . . . . . . . . . . . . . . . 15875 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 15875 _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 $Nudix_hydrolase . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pet15b . . . 'Vector was modified with an additional four histidine residues for a total of ten histidine residues.' . . 15875 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_15N _Sample.Sf_category sample _Sample.Sf_framecode sample_15N _Sample.Entry_ID 15875 _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 Nudix_hydrolase '[U-99% 15N]' . . 1 $Nudix_hydrolase . . 1.4 . . mM . . . . 15875 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15875 1 3 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 15875 1 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15875 1 stop_ save_ save_sample_13C-15N _Sample.Sf_category sample _Sample.Sf_framecode sample_13C-15N _Sample.Entry_ID 15875 _Sample.ID 2 _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 Nudix_hydrolase '[U-99% 13C; U-99% 15N]' . . 1 $Nudix_hydrolase . . 1.2 . . mM . . . . 15875 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15875 2 3 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 15875 2 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15875 2 stop_ save_ save_sample_2H-13C-15N _Sample.Sf_category sample _Sample.Sf_framecode sample_2H-13C-15N _Sample.Entry_ID 15875 _Sample.ID 3 _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 Nudix_hydrolase '[U-100% 13C; U-100% 15N; 80% 2H]' . . 1 $Nudix_hydrolase . . 0.35 . . mM . . . . 15875 3 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15875 3 3 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 15875 3 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15875 3 stop_ save_ save_sample_15N-Lys _Sample.Sf_category sample _Sample.Sf_framecode sample_15N-Lys _Sample.Entry_ID 15875 _Sample.ID 4 _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 Nudix_hydrolase [U-15N]-Lys . . 1 $Nudix_hydrolase . . 1.4 . . mM . . . . 15875 4 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15875 4 3 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 15875 4 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15875 4 stop_ save_ save_sample_15N-Leu _Sample.Sf_category sample _Sample.Sf_framecode sample_15N-Leu _Sample.Entry_ID 15875 _Sample.ID 5 _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 Nudix_hydrolase [U-15N]-Leu . . 1 $Nudix_hydrolase . . 1 . . mM . . . . 15875 5 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15875 5 3 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 15875 5 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15875 5 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 15875 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 . mM 15875 1 pH 6.4 . pH 15875 1 pressure 1 . atm 15875 1 temperature 300 . K 15875 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15875 _Software.ID 1 _Software.Name NMRView _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' . . 15875 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15875 1 'Johnson, One Moon Scientific' . . 15875 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15875 1 'data analysis' 15875 1 processing 15875 1 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 15875 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15875 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Equipped with cryoprobe.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15875 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 15875 1 2 spectrometer_2 Bruker Avance . 600 'Equipped with cryoprobe.' . . 15875 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 15875 _Experiment_list.ID 1 _Experiment_list.Details ; A standard 3D C(CO)NH was used for the 13C-15N sample. Other experiments were 3D-trosy on the 2H-13C-15N labeled sample. ; 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 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_13C-15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15875 1 2 '3D HNCA' no . . . . . . . . . . 3 $sample_2H-13C-15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15875 1 3 '3D HNCACB' no . . . . . . . . . . 3 $sample_2H-13C-15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15875 1 4 '3D HN(CO)CACB' no . . . . . . . . . . 3 $sample_2H-13C-15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15875 1 5 '3D HNCO' no . . . . . . . . . . 3 $sample_2H-13C-15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15875 1 6 '3D HN(CA)CO' no . . . . . . . . . . 3 $sample_2H-13C-15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15875 1 7 '1H-15N heteronuclear NOE' no . . . . . . . . . . 1 $sample_15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15875 1 8 '15N T1' no . . . . . . . . . . 1 $sample_15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15875 1 9 '15N T2' no . . . . . . . . . . 1 $sample_15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15875 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_2H-13C-15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15875 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_15N-Lys isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15875 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $sample_15N-Leu isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15875 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 15875 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15875 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15875 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15875 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 15875 _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 '3D C(CO)NH' . . . 15875 1 2 '3D HNCA' . . . 15875 1 3 '3D HNCACB' . . . 15875 1 4 '3D HN(CO)CACB' . . . 15875 1 5 '3D HNCO' . . . 15875 1 6 '3D HN(CA)CO' . . . 15875 1 10 '2D 1H-15N HSQC' . . . 15875 1 11 '2D 1H-15N HSQC' . . . 15875 1 12 '2D 1H-15N HSQC' . . . 15875 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 18 18 LEU H H 1 7.998 0.01 . 1 . . . . -6 LEU H . 15875 1 2 . 1 1 18 18 LEU C C 13 177.115 0.1 . 1 . . . . -6 LEU C . 15875 1 3 . 1 1 18 18 LEU CA C 13 54.694 0.1 . 1 . . . . -6 LEU CA . 15875 1 4 . 1 1 18 18 LEU CB C 13 41.377 0.1 . 1 . . . . -6 LEU CB . 15875 1 5 . 1 1 18 18 LEU N N 15 121.354 0.1 . 1 . . . . -6 LEU N . 15875 1 6 . 1 1 19 19 VAL H H 1 8.050 0.01 . 1 . . . . -5 VAL H . 15875 1 7 . 1 1 19 19 VAL C C 13 174.421 0.1 . 1 . . . . -5 VAL C . 15875 1 8 . 1 1 19 19 VAL CA C 13 59.319 0.1 . 1 . . . . -5 VAL CA . 15875 1 9 . 1 1 19 19 VAL CB C 13 31.794 0.1 . 1 . . . . -5 VAL CB . 15875 1 10 . 1 1 19 19 VAL N N 15 122.260 0.1 . 1 . . . . -5 VAL N . 15875 1 11 . 1 1 20 20 PRO C C 13 177.044 0.1 . 1 . . . . -4 PRO C . 15875 1 12 . 1 1 20 20 PRO CA C 13 62.202 0.1 . 1 . . . . -4 PRO CA . 15875 1 13 . 1 1 20 20 PRO CB C 13 31.218 0.1 . 1 . . . . -4 PRO CB . 15875 1 14 . 1 1 21 21 ARG H H 1 8.499 0.01 . 1 . . . . -3 ARG H . 15875 1 15 . 1 1 21 21 ARG C C 13 176.014 0.1 . 1 . . . . -3 ARG C . 15875 1 16 . 1 1 21 21 ARG CA C 13 56.135 0.1 . 1 . . . . -3 ARG CA . 15875 1 17 . 1 1 21 21 ARG CB C 13 29.932 0.1 . 1 . . . . -3 ARG CB . 15875 1 18 . 1 1 21 21 ARG N N 15 120.399 0.1 . 1 . . . . -3 ARG N . 15875 1 19 . 1 1 23 23 SER CA C 13 57.446 0.1 . 1 . . . . -1 SER CA . 15875 1 20 . 1 1 23 23 SER CB C 13 63.354 0.1 . 1 . . . . -1 SER CB . 15875 1 21 . 1 1 24 24 HIS H H 1 8.594 0.01 . 1 . . . . 0 HIS H . 15875 1 22 . 1 1 24 24 HIS CA C 13 56.414 0.1 . 1 . . . . 0 HIS CA . 15875 1 23 . 1 1 24 24 HIS CB C 13 28.696 0.1 . 1 . . . . 0 HIS CB . 15875 1 24 . 1 1 24 24 HIS N N 15 116.688 0.1 . 1 . . . . 0 HIS N . 15875 1 25 . 1 1 25 25 MET C C 13 175.692 0.1 . 1 . . . . 1 MET C . 15875 1 26 . 1 1 26 26 VAL H H 1 7.728 0.01 . 1 . . . . 20 VAL H . 15875 1 27 . 1 1 26 26 VAL C C 13 175.190 0.1 . 1 . . . . 20 VAL C . 15875 1 28 . 1 1 26 26 VAL CA C 13 61.409 0.1 . 1 . . . . 20 VAL CA . 15875 1 29 . 1 1 26 26 VAL CB C 13 32.010 0.1 . 1 . . . . 20 VAL CB . 15875 1 30 . 1 1 26 26 VAL N N 15 121.983 0.1 . 1 . . . . 20 VAL N . 15875 1 31 . 1 1 28 28 ARG H H 1 8.213 0.01 . 1 . . . . 22 ARG H . 15875 1 32 . 1 1 28 28 ARG C C 13 176.685 0.1 . 1 . . . . 22 ARG C . 15875 1 33 . 1 1 28 28 ARG CA C 13 57.158 0.1 . 1 . . . . 22 ARG CA . 15875 1 34 . 1 1 28 28 ARG CB C 13 29.272 0.1 . 1 . . . . 22 ARG CB . 15875 1 35 . 1 1 28 28 ARG N N 15 119.817 0.1 . 1 . . . . 22 ARG N . 15875 1 36 . 1 1 29 29 SER H H 1 8.358 0.01 . 1 . . . . 23 SER H . 15875 1 37 . 1 1 29 29 SER C C 13 177.094 0.1 . 1 . . . . 23 SER C . 15875 1 38 . 1 1 29 29 SER CA C 13 59.233 0.1 . 1 . . . . 23 SER CA . 15875 1 39 . 1 1 29 29 SER CB C 13 63.298 0.1 . 1 . . . . 23 SER CB . 15875 1 40 . 1 1 29 29 SER N N 15 116.471 0.1 . 1 . . . . 23 SER N . 15875 1 41 . 1 1 33 33 ARG C C 13 176.620 0.1 . 1 . . . . 27 ARG C . 15875 1 42 . 1 1 33 33 ARG CA C 13 56.349 0.1 . 1 . . . . 27 ARG CA . 15875 1 43 . 1 1 33 33 ARG CB C 13 29.705 0.1 . 1 . . . . 27 ARG CB . 15875 1 44 . 1 1 34 34 GLU H H 1 8.379 0.01 . 1 . . . . 28 GLU H . 15875 1 45 . 1 1 34 34 GLU C C 13 177.086 0.1 . 1 . . . . 28 GLU C . 15875 1 46 . 1 1 34 34 GLU CA C 13 56.592 0.1 . 1 . . . . 28 GLU CA . 15875 1 47 . 1 1 34 34 GLU CB C 13 29.304 0.1 . 1 . . . . 28 GLU CB . 15875 1 48 . 1 1 34 34 GLU N N 15 120.969 0.1 . 1 . . . . 28 GLU N . 15875 1 49 . 1 1 35 35 GLY H H 1 8.374 0.01 . 1 . . . . 29 GLY H . 15875 1 50 . 1 1 35 35 GLY C C 13 174.315 0.1 . 1 . . . . 29 GLY C . 15875 1 51 . 1 1 35 35 GLY CA C 13 45.124 0.1 . 1 . . . . 29 GLY CA . 15875 1 52 . 1 1 35 35 GLY N N 15 109.494 0.1 . 1 . . . . 29 GLY N . 15875 1 53 . 1 1 36 36 ARG H H 1 8.139 0.01 . 1 . . . . 30 ARG H . 15875 1 54 . 1 1 36 36 ARG C C 13 176.675 0.1 . 1 . . . . 30 ARG C . 15875 1 55 . 1 1 36 36 ARG CA C 13 55.861 0.1 . 1 . . . . 30 ARG CA . 15875 1 56 . 1 1 36 36 ARG CB C 13 29.777 0.1 . 1 . . . . 30 ARG CB . 15875 1 57 . 1 1 36 36 ARG N N 15 120.186 0.1 . 1 . . . . 30 ARG N . 15875 1 58 . 1 1 37 37 THR H H 1 8.148 0.01 . 1 . . . . 31 THR H . 15875 1 59 . 1 1 37 37 THR C C 13 174.382 0.1 . 1 . . . . 31 THR C . 15875 1 60 . 1 1 37 37 THR CA C 13 61.769 0.1 . 1 . . . . 31 THR CA . 15875 1 61 . 1 1 37 37 THR CB C 13 69.407 0.1 . 1 . . . . 31 THR CB . 15875 1 62 . 1 1 37 37 THR N N 15 114.863 0.1 . 1 . . . . 31 THR N . 15875 1 63 . 1 1 38 38 LYS H H 1 8.491 0.01 . 1 . . . . 32 LYS H . 15875 1 64 . 1 1 38 38 LYS C C 13 175.750 0.1 . 1 . . . . 32 LYS C . 15875 1 65 . 1 1 38 38 LYS CA C 13 55.717 0.1 . 1 . . . . 32 LYS CA . 15875 1 66 . 1 1 38 38 LYS CB C 13 32.155 0.1 . 1 . . . . 32 LYS CB . 15875 1 67 . 1 1 38 38 LYS N N 15 123.296 0.1 . 1 . . . . 32 LYS N . 15875 1 68 . 1 1 39 39 ASN H H 1 8.154 0.01 . 1 . . . . 33 ASN H . 15875 1 69 . 1 1 39 39 ASN C C 13 174.275 0.1 . 1 . . . . 33 ASN C . 15875 1 70 . 1 1 39 39 ASN CA C 13 53.267 0.1 . 1 . . . . 33 ASN CA . 15875 1 71 . 1 1 39 39 ASN CB C 13 39.864 0.1 . 1 . . . . 33 ASN CB . 15875 1 72 . 1 1 39 39 ASN N N 15 118.904 0.1 . 1 . . . . 33 ASN N . 15875 1 73 . 1 1 40 40 ARG H H 1 8.253 0.01 . 1 . . . . 34 ARG H . 15875 1 74 . 1 1 40 40 ARG C C 13 175.243 0.1 . 1 . . . . 34 ARG C . 15875 1 75 . 1 1 40 40 ARG CA C 13 55.212 0.1 . 1 . . . . 34 ARG CA . 15875 1 76 . 1 1 40 40 ARG CB C 13 31.506 0.1 . 1 . . . . 34 ARG CB . 15875 1 77 . 1 1 40 40 ARG N N 15 120.061 0.1 . 1 . . . . 34 ARG N . 15875 1 78 . 1 1 41 41 PHE H H 1 8.230 0.01 . 1 . . . . 35 PHE H . 15875 1 79 . 1 1 41 41 PHE C C 13 175.243 0.1 . 1 . . . . 35 PHE C . 15875 1 80 . 1 1 41 41 PHE CA C 13 55.789 0.1 . 1 . . . . 35 PHE CA . 15875 1 81 . 1 1 41 41 PHE CB C 13 41.738 0.1 . 1 . . . . 35 PHE CB . 15875 1 82 . 1 1 41 41 PHE N N 15 117.375 0.1 . 1 . . . . 35 PHE N . 15875 1 83 . 1 1 42 42 ASN H H 1 9.218 0.01 . 1 . . . . 36 ASN H . 15875 1 84 . 1 1 42 42 ASN C C 13 175.429 0.1 . 1 . . . . 36 ASN C . 15875 1 85 . 1 1 42 42 ASN CA C 13 50.312 0.1 . 1 . . . . 36 ASN CA . 15875 1 86 . 1 1 42 42 ASN CB C 13 38.640 0.1 . 1 . . . . 36 ASN CB . 15875 1 87 . 1 1 42 42 ASN N N 15 123.147 0.1 . 1 . . . . 36 ASN N . 15875 1 88 . 1 1 43 43 PRO C C 13 177.402 0.1 . 1 . . . . 37 PRO C . 15875 1 89 . 1 1 43 43 PRO CA C 13 63.859 0.1 . 1 . . . . 37 PRO CA . 15875 1 90 . 1 1 43 43 PRO CB C 13 31.506 0.1 . 1 . . . . 37 PRO CB . 15875 1 91 . 1 1 44 44 ILE H H 1 8.445 0.01 . 1 . . . . 38 ILE H . 15875 1 92 . 1 1 44 44 ILE C C 13 177.656 0.1 . 1 . . . . 38 ILE C . 15875 1 93 . 1 1 44 44 ILE CA C 13 62.204 0.1 . 1 . . . . 38 ILE CA . 15875 1 94 . 1 1 44 44 ILE CB C 13 36.898 0.1 . 1 . . . . 38 ILE CB . 15875 1 95 . 1 1 44 44 ILE N N 15 118.093 0.1 . 1 . . . . 38 ILE N . 15875 1 96 . 1 1 45 45 THR H H 1 7.084 0.01 . 1 . . . . 39 THR H . 15875 1 97 . 1 1 45 45 THR C C 13 176.342 0.1 . 1 . . . . 39 THR C . 15875 1 98 . 1 1 45 45 THR CA C 13 61.200 0.1 . 1 . . . . 39 THR CA . 15875 1 99 . 1 1 45 45 THR CB C 13 70.233 0.1 . 1 . . . . 39 THR CB . 15875 1 100 . 1 1 45 45 THR N N 15 106.734 0.1 . 1 . . . . 39 THR N . 15875 1 101 . 1 1 46 46 GLY H H 1 8.459 0.01 . 1 . . . . 40 GLY H . 15875 1 102 . 1 1 46 46 GLY C C 13 173.626 0.1 . 1 . . . . 40 GLY C . 15875 1 103 . 1 1 46 46 GLY CA C 13 44.927 0.1 . 1 . . . . 40 GLY CA . 15875 1 104 . 1 1 46 46 GLY N N 15 110.131 0.1 . 1 . . . . 40 GLY N . 15875 1 105 . 1 1 47 47 ALA H H 1 7.658 0.01 . 1 . . . . 41 ALA H . 15875 1 106 . 1 1 47 47 ALA C C 13 176.953 0.1 . 1 . . . . 41 ALA C . 15875 1 107 . 1 1 47 47 ALA CA C 13 51.881 0.1 . 1 . . . . 41 ALA CA . 15875 1 108 . 1 1 47 47 ALA CB C 13 19.334 0.1 . 1 . . . . 41 ALA CB . 15875 1 109 . 1 1 47 47 ALA N N 15 121.686 0.1 . 1 . . . . 41 ALA N . 15875 1 110 . 1 1 48 48 ARG H H 1 8.616 0.01 . 1 . . . . 42 ARG H . 15875 1 111 . 1 1 48 48 ARG C C 13 175.018 0.1 . 1 . . . . 42 ARG C . 15875 1 112 . 1 1 48 48 ARG CA C 13 56.005 0.1 . 1 . . . . 42 ARG CA . 15875 1 113 . 1 1 48 48 ARG CB C 13 30.425 0.1 . 1 . . . . 42 ARG CB . 15875 1 114 . 1 1 48 48 ARG N N 15 122.233 0.1 . 1 . . . . 42 ARG N . 15875 1 115 . 1 1 49 49 LEU H H 1 7.787 0.01 . 1 . . . . 43 LEU H . 15875 1 116 . 1 1 49 49 LEU C C 13 176.766 0.1 . 1 . . . . 43 LEU C . 15875 1 117 . 1 1 49 49 LEU CA C 13 53.987 0.1 . 1 . . . . 43 LEU CA . 15875 1 118 . 1 1 49 49 LEU CB C 13 41.666 0.1 . 1 . . . . 43 LEU CB . 15875 1 119 . 1 1 49 49 LEU N N 15 121.504 0.1 . 1 . . . . 43 LEU N . 15875 1 120 . 1 1 50 50 ALA H H 1 8.728 0.01 . 1 . . . . 44 ALA H . 15875 1 121 . 1 1 50 50 ALA C C 13 174.859 0.1 . 1 . . . . 44 ALA C . 15875 1 122 . 1 1 50 50 ALA CA C 13 50.160 0.1 . 1 . . . . 44 ALA CA . 15875 1 123 . 1 1 50 50 ALA CB C 13 22.201 0.1 . 1 . . . . 44 ALA CB . 15875 1 124 . 1 1 50 50 ALA N N 15 124.826 0.1 . 1 . . . . 44 ALA N . 15875 1 125 . 1 1 51 51 ALA H H 1 9.045 0.01 . 1 . . . . 45 ALA H . 15875 1 126 . 1 1 51 51 ALA C C 13 176.065 0.1 . 1 . . . . 45 ALA C . 15875 1 127 . 1 1 51 51 ALA CA C 13 50.232 0.1 . 1 . . . . 45 ALA CA . 15875 1 128 . 1 1 51 51 ALA CB C 13 22.130 0.1 . 1 . . . . 45 ALA CB . 15875 1 129 . 1 1 51 51 ALA N N 15 123.074 0.1 . 1 . . . . 45 ALA N . 15875 1 130 . 1 1 52 52 GLY H H 1 8.395 0.01 . 1 . . . . 46 GLY H . 15875 1 131 . 1 1 52 52 GLY C C 13 172.976 0.1 . 1 . . . . 46 GLY C . 15875 1 132 . 1 1 52 52 GLY CA C 13 43.683 0.1 . 1 . . . . 46 GLY CA . 15875 1 133 . 1 1 52 52 GLY N N 15 106.092 0.1 . 1 . . . . 46 GLY N . 15875 1 134 . 1 1 53 53 VAL H H 1 8.163 0.01 . 1 . . . . 47 VAL H . 15875 1 135 . 1 1 53 53 VAL C C 13 174.024 0.1 . 1 . . . . 47 VAL C . 15875 1 136 . 1 1 53 53 VAL CA C 13 59.536 0.1 . 1 . . . . 47 VAL CA . 15875 1 137 . 1 1 53 53 VAL CB C 13 34.749 0.1 . 1 . . . . 47 VAL CB . 15875 1 138 . 1 1 53 53 VAL N N 15 114.229 0.1 . 1 . . . . 47 VAL N . 15875 1 139 . 1 1 54 54 VAL H H 1 8.858 0.01 . 1 . . . . 48 VAL H . 15875 1 140 . 1 1 54 54 VAL C C 13 172.711 0.1 . 1 . . . . 48 VAL C . 15875 1 141 . 1 1 54 54 VAL CA C 13 61.631 0.1 . 1 . . . . 48 VAL CA . 15875 1 142 . 1 1 54 54 VAL CB C 13 30.517 0.1 . 1 . . . . 48 VAL CB . 15875 1 143 . 1 1 54 54 VAL N N 15 126.518 0.1 . 1 . . . . 48 VAL N . 15875 1 144 . 1 1 55 55 ALA H H 1 9.893 0.01 . 1 . . . . 49 ALA H . 15875 1 145 . 1 1 55 55 ALA C C 13 174.461 0.1 . 1 . . . . 49 ALA C . 15875 1 146 . 1 1 55 55 ALA CA C 13 49.658 0.1 . 1 . . . . 49 ALA CA . 15875 1 147 . 1 1 55 55 ALA CB C 13 18.688 0.1 . 1 . . . . 49 ALA CB . 15875 1 148 . 1 1 55 55 ALA N N 15 130.288 0.1 . 1 . . . . 49 ALA N . 15875 1 149 . 1 1 56 56 LEU H H 1 9.335 0.01 . 1 . . . . 50 LEU H . 15875 1 150 . 1 1 56 56 LEU C C 13 177.006 0.1 . 1 . . . . 50 LEU C . 15875 1 151 . 1 1 56 56 LEU CA C 13 51.809 0.1 . 1 . . . . 50 LEU CA . 15875 1 152 . 1 1 56 56 LEU CB C 13 18.688 0.1 . 1 . . . . 50 LEU CB . 15875 1 153 . 1 1 56 56 LEU N N 15 122.445 0.1 . 1 . . . . 50 LEU N . 15875 1 154 . 1 1 57 57 SER H H 1 8.501 0.01 . 1 . . . . 51 SER H . 15875 1 155 . 1 1 57 57 SER C C 13 176.370 0.1 . 1 . . . . 51 SER C . 15875 1 156 . 1 1 57 57 SER CA C 13 57.544 0.1 . 1 . . . . 51 SER CA . 15875 1 157 . 1 1 57 57 SER CB C 13 62.849 0.1 . 1 . . . . 51 SER CB . 15875 1 158 . 1 1 57 57 SER N N 15 114.456 0.1 . 1 . . . . 51 SER N . 15875 1 159 . 1 1 58 58 ALA H H 1 8.600 0.01 . 1 . . . . 52 ALA H . 15875 1 160 . 1 1 58 58 ALA C C 13 178.955 0.1 . 1 . . . . 52 ALA C . 15875 1 161 . 1 1 58 58 ALA CA C 13 54.965 0.1 . 1 . . . . 52 ALA CA . 15875 1 162 . 1 1 58 58 ALA CB C 13 17.167 0.1 . 1 . . . . 52 ALA CB . 15875 1 163 . 1 1 58 58 ALA N N 15 122.224 0.1 . 1 . . . . 52 ALA N . 15875 1 164 . 1 1 59 59 ASP H H 1 7.694 0.01 . 1 . . . . 53 ASP H . 15875 1 165 . 1 1 59 59 ASP C C 13 175.773 0.1 . 1 . . . . 53 ASP C . 15875 1 166 . 1 1 59 59 ASP CA C 13 52.669 0.1 . 1 . . . . 53 ASP CA . 15875 1 167 . 1 1 59 59 ASP CB C 13 39.262 0.1 . 1 . . . . 53 ASP CB . 15875 1 168 . 1 1 59 59 ASP N N 15 113.114 0.1 . 1 . . . . 53 ASP N . 15875 1 169 . 1 1 60 60 LYS H H 1 8.412 0.01 . 1 . . . . 54 LYS H . 15875 1 170 . 1 1 60 60 LYS C C 13 174.624 0.1 . 1 . . . . 54 LYS C . 15875 1 171 . 1 1 60 60 LYS CA C 13 57.759 0.1 . 1 . . . . 54 LYS CA . 15875 1 172 . 1 1 60 60 LYS CB C 13 27.865 0.1 . 1 . . . . 54 LYS CB . 15875 1 173 . 1 1 60 60 LYS N N 15 113.444 0.1 . 1 . . . . 54 LYS N . 15875 1 174 . 1 1 61 61 ARG H H 1 7.719 0.01 . 1 . . . . 55 ARG H . 15875 1 175 . 1 1 61 61 ARG C C 13 176.807 0.1 . 1 . . . . 55 ARG C . 15875 1 176 . 1 1 61 61 ARG CA C 13 57.831 0.1 . 1 . . . . 55 ARG CA . 15875 1 177 . 1 1 61 61 ARG CB C 13 30.517 0.1 . 1 . . . . 55 ARG CB . 15875 1 178 . 1 1 61 61 ARG N N 15 114.511 0.1 . 1 . . . . 55 ARG N . 15875 1 179 . 1 1 62 62 LYS H H 1 7.750 0.01 . 1 . . . . 56 LYS H . 15875 1 180 . 1 1 62 62 LYS C C 13 173.215 0.1 . 1 . . . . 56 LYS C . 15875 1 181 . 1 1 62 62 LYS CA C 13 53.171 0.1 . 1 . . . . 56 LYS CA . 15875 1 182 . 1 1 62 62 LYS CB C 13 37.113 0.1 . 1 . . . . 56 LYS CB . 15875 1 183 . 1 1 62 62 LYS N N 15 116.217 0.1 . 1 . . . . 56 LYS N . 15875 1 184 . 1 1 63 63 VAL H H 1 9.418 0.01 . 1 . . . . 57 VAL H . 15875 1 185 . 1 1 63 63 VAL C C 13 172.940 0.1 . 1 . . . . 57 VAL C . 15875 1 186 . 1 1 63 63 VAL CA C 13 56.756 0.1 . 1 . . . . 57 VAL CA . 15875 1 187 . 1 1 63 63 VAL CB C 13 34.245 0.1 . 1 . . . . 57 VAL CB . 15875 1 188 . 1 1 63 63 VAL N N 15 117.727 0.1 . 1 . . . . 57 VAL N . 15875 1 189 . 1 1 64 64 LEU H H 1 8.619 0.01 . 1 . . . . 58 LEU H . 15875 1 190 . 1 1 64 64 LEU C C 13 174.918 0.1 . 1 . . . . 58 LEU C . 15875 1 191 . 1 1 64 64 LEU CA C 13 53.556 0.1 . 1 . . . . 58 LEU CA . 15875 1 192 . 1 1 64 64 LEU CB C 13 41.166 0.1 . 1 . . . . 58 LEU CB . 15875 1 193 . 1 1 64 64 LEU N N 15 130.347 0.1 . 1 . . . . 58 LEU N . 15875 1 194 . 1 1 65 65 LEU H H 1 8.447 0.01 . 1 . . . . 59 LEU H . 15875 1 195 . 1 1 65 65 LEU C C 13 176.211 0.1 . 1 . . . . 59 LEU C . 15875 1 196 . 1 1 65 65 LEU CA C 13 53.084 0.1 . 1 . . . . 59 LEU CA . 15875 1 197 . 1 1 65 65 LEU CB C 13 42.594 0.1 . 1 . . . . 59 LEU CB . 15875 1 198 . 1 1 65 65 LEU N N 15 126.231 0.1 . 1 . . . . 59 LEU N . 15875 1 199 . 1 1 66 66 VAL H H 1 8.675 0.01 . 1 . . . . 60 VAL H . 15875 1 200 . 1 1 66 66 VAL C C 13 175.202 0.1 . 1 . . . . 60 VAL C . 15875 1 201 . 1 1 66 66 VAL CA C 13 57.626 0.1 . 1 . . . . 60 VAL CA . 15875 1 202 . 1 1 66 66 VAL CB C 13 35.064 0.1 . 1 . . . . 60 VAL CB . 15875 1 203 . 1 1 66 66 VAL N N 15 109.161 0.1 . 1 . . . . 60 VAL N . 15875 1 204 . 1 1 67 67 SER H H 1 8.507 0.01 . 1 . . . . 61 SER H . 15875 1 205 . 1 1 67 67 SER C C 13 175.123 0.1 . 1 . . . . 61 SER C . 15875 1 206 . 1 1 67 67 SER CA C 13 57.023 0.1 . 1 . . . . 61 SER CA . 15875 1 207 . 1 1 67 67 SER CB C 13 64.070 0.1 . 1 . . . . 61 SER CB . 15875 1 208 . 1 1 67 67 SER N N 15 115.108 0.1 . 1 . . . . 61 SER N . 15875 1 209 . 1 1 70 70 LYS H H 1 7.973 0.01 . 1 . . . . 64 LYS H . 15875 1 210 . 1 1 70 70 LYS C C 13 178.252 0.1 . 1 . . . . 64 LYS C . 15875 1 211 . 1 1 70 70 LYS CA C 13 58.599 0.1 . 1 . . . . 64 LYS CA . 15875 1 212 . 1 1 70 70 LYS CB C 13 31.650 0.1 . 1 . . . . 64 LYS CB . 15875 1 213 . 1 1 70 70 LYS N N 15 118.058 0.1 . 1 . . . . 64 LYS N . 15875 1 214 . 1 1 71 71 LYS H H 1 7.770 0.01 . 1 . . . . 65 LYS H . 15875 1 215 . 1 1 71 71 LYS C C 13 178.158 0.1 . 1 . . . . 65 LYS C . 15875 1 216 . 1 1 71 71 LYS CA C 13 58.383 0.1 . 1 . . . . 65 LYS CA . 15875 1 217 . 1 1 71 71 LYS CB C 13 31.722 0.1 . 1 . . . . 65 LYS CB . 15875 1 218 . 1 1 71 71 LYS N N 15 119.429 0.1 . 1 . . . . 65 LYS N . 15875 1 219 . 1 1 73 73 PRO C C 13 176.209 0.1 . 1 . . . . 67 PRO C . 15875 1 220 . 1 1 73 73 PRO CA C 13 62.922 0.1 . 1 . . . . 67 PRO CA . 15875 1 221 . 1 1 73 73 PRO CB C 13 31.218 0.1 . 1 . . . . 67 PRO CB . 15875 1 222 . 1 1 74 74 SER H H 1 7.832 0.01 . 1 . . . . 68 SER H . 15875 1 223 . 1 1 74 74 SER C C 13 173.125 0.1 . 1 . . . . 68 SER C . 15875 1 224 . 1 1 74 74 SER CA C 13 56.797 0.1 . 1 . . . . 68 SER CA . 15875 1 225 . 1 1 74 74 SER CB C 13 64.003 0.1 . 1 . . . . 68 SER CB . 15875 1 226 . 1 1 74 74 SER N N 15 116.193 0.1 . 1 . . . . 68 SER N . 15875 1 227 . 1 1 75 75 TRP H H 1 9.511 0.01 . 1 . . . . 69 TRP H . 15875 1 228 . 1 1 75 75 TRP C C 13 175.051 0.1 . 1 . . . . 69 TRP C . 15875 1 229 . 1 1 75 75 TRP CA C 13 59.576 0.1 . 1 . . . . 69 TRP CA . 15875 1 230 . 1 1 75 75 TRP CB C 13 35.325 0.1 . 1 . . . . 69 TRP CB . 15875 1 231 . 1 1 75 75 TRP N N 15 114.852 0.1 . 1 . . . . 69 TRP N . 15875 1 232 . 1 1 76 76 VAL H H 1 6.545 0.01 . 1 . . . . 70 VAL H . 15875 1 233 . 1 1 76 76 VAL C C 13 173.702 0.1 . 1 . . . . 70 VAL C . 15875 1 234 . 1 1 76 76 VAL CA C 13 57.874 0.1 . 1 . . . . 70 VAL CA . 15875 1 235 . 1 1 76 76 VAL CB C 13 29.782 0.1 . 1 . . . . 70 VAL CB . 15875 1 236 . 1 1 76 76 VAL N N 15 106.839 0.1 . 1 . . . . 70 VAL N . 15875 1 237 . 1 1 77 77 VAL H H 1 9.223 0.01 . 1 . . . . 71 VAL H . 15875 1 238 . 1 1 77 77 VAL C C 13 177.866 0.1 . 1 . . . . 71 VAL C . 15875 1 239 . 1 1 77 77 VAL CA C 13 60.328 0.1 . 1 . . . . 71 VAL CA . 15875 1 240 . 1 1 77 77 VAL CB C 13 29.488 0.1 . 1 . . . . 71 VAL CB . 15875 1 241 . 1 1 77 77 VAL N N 15 116.773 0.1 . 1 . . . . 71 VAL N . 15875 1 242 . 1 1 79 79 LYS H H 1 7.890 0.01 . 1 . . . . 73 LYS H . 15875 1 243 . 1 1 79 79 LYS C C 13 174.103 0.1 . 1 . . . . 73 LYS C . 15875 1 244 . 1 1 79 79 LYS CA C 13 55.012 0.1 . 1 . . . . 73 LYS CA . 15875 1 245 . 1 1 79 79 LYS CB C 13 33.695 0.1 . 1 . . . . 73 LYS CB . 15875 1 246 . 1 1 79 79 LYS N N 15 122.424 0.1 . 1 . . . . 73 LYS N . 15875 1 247 . 1 1 80 80 GLY H H 1 8.645 0.01 . 1 . . . . 74 GLY H . 15875 1 248 . 1 1 80 80 GLY C C 13 172.207 0.1 . 1 . . . . 74 GLY C . 15875 1 249 . 1 1 80 80 GLY CA C 13 44.603 0.1 . 1 . . . . 74 GLY CA . 15875 1 250 . 1 1 80 80 GLY N N 15 108.498 0.1 . 1 . . . . 74 GLY N . 15875 1 251 . 1 1 81 81 GLY H H 1 8.433 0.01 . 1 . . . . 75 GLY H . 15875 1 252 . 1 1 81 81 GLY C C 13 172.119 0.1 . 1 . . . . 75 GLY C . 15875 1 253 . 1 1 81 81 GLY CA C 13 45.454 0.1 . 1 . . . . 75 GLY CA . 15875 1 254 . 1 1 81 81 GLY N N 15 105.354 0.1 . 1 . . . . 75 GLY N . 15875 1 255 . 1 1 83 83 GLU C C 13 178.291 0.1 . 1 . . . . 77 GLU C . 15875 1 256 . 1 1 83 83 GLU CA C 13 55.789 0.1 . 1 . . . . 77 GLU CA . 15875 1 257 . 1 1 83 83 GLU CB C 13 30.065 0.1 . 1 . . . . 77 GLU CB . 15875 1 258 . 1 1 84 84 ALA H H 1 8.428 0.01 . 1 . . . . 78 ALA H . 15875 1 259 . 1 1 84 84 ALA C C 13 177.654 0.1 . 1 . . . . 78 ALA C . 15875 1 260 . 1 1 84 84 ALA CA C 13 53.843 0.1 . 1 . . . . 78 ALA CA . 15875 1 261 . 1 1 84 84 ALA CB C 13 17.960 0.1 . 1 . . . . 78 ALA CB . 15875 1 262 . 1 1 84 84 ALA N N 15 120.887 0.1 . 1 . . . . 78 ALA N . 15875 1 263 . 1 1 85 85 ASP H H 1 8.210 0.01 . 1 . . . . 79 ASP H . 15875 1 264 . 1 1 85 85 ASP C C 13 174.607 0.1 . 1 . . . . 79 ASP C . 15875 1 265 . 1 1 85 85 ASP CA C 13 53.915 0.1 . 1 . . . . 79 ASP CA . 15875 1 266 . 1 1 85 85 ASP CB C 13 39.648 0.1 . 1 . . . . 79 ASP CB . 15875 1 267 . 1 1 85 85 ASP N N 15 114.429 0.1 . 1 . . . . 79 ASP N . 15875 1 268 . 1 1 86 86 GLU H H 1 7.669 0.01 . 1 . . . . 80 GLU H . 15875 1 269 . 1 1 86 86 GLU C C 13 175.946 0.1 . 1 . . . . 80 GLU C . 15875 1 270 . 1 1 86 86 GLU CA C 13 53.652 0.1 . 1 . . . . 80 GLU CA . 15875 1 271 . 1 1 86 86 GLU CB C 13 31.578 0.1 . 1 . . . . 80 GLU CB . 15875 1 272 . 1 1 86 86 GLU N N 15 117.142 0.1 . 1 . . . . 80 GLU N . 15875 1 273 . 1 1 88 88 VAL C C 13 175.745 0.1 . 1 . . . . 82 VAL C . 15875 1 274 . 1 1 88 88 VAL CA C 13 64.363 0.1 . 1 . . . . 82 VAL CA . 15875 1 275 . 1 1 88 88 VAL CB C 13 29.128 0.1 . 1 . . . . 82 VAL CB . 15875 1 276 . 1 1 89 89 GLN H H 1 7.497 0.01 . 1 . . . . 83 GLN H . 15875 1 277 . 1 1 89 89 GLN C C 13 178.027 0.1 . 1 . . . . 83 GLN C . 15875 1 278 . 1 1 89 89 GLN CA C 13 59.552 0.1 . 1 . . . . 83 GLN CA . 15875 1 279 . 1 1 89 89 GLN CB C 13 25.857 0.1 . 1 . . . . 83 GLN CB . 15875 1 280 . 1 1 89 89 GLN N N 15 119.022 0.1 . 1 . . . . 83 GLN N . 15875 1 281 . 1 1 90 90 GLN H H 1 7.377 0.01 . 1 . . . . 84 GLN H . 15875 1 282 . 1 1 90 90 GLN C C 13 179.180 0.1 . 1 . . . . 84 GLN C . 15875 1 283 . 1 1 90 90 GLN CA C 13 58.261 0.1 . 1 . . . . 84 GLN CA . 15875 1 284 . 1 1 90 90 GLN CB C 13 27.650 0.1 . 1 . . . . 84 GLN CB . 15875 1 285 . 1 1 90 90 GLN N N 15 117.321 0.1 . 1 . . . . 84 GLN N . 15875 1 286 . 1 1 91 91 ALA H H 1 8.019 0.01 . 1 . . . . 85 ALA H . 15875 1 287 . 1 1 91 91 ALA C C 13 178.902 0.1 . 1 . . . . 85 ALA C . 15875 1 288 . 1 1 91 91 ALA CA C 13 54.892 0.1 . 1 . . . . 85 ALA CA . 15875 1 289 . 1 1 91 91 ALA CB C 13 18.043 0.1 . 1 . . . . 85 ALA CB . 15875 1 290 . 1 1 91 91 ALA N N 15 122.957 0.1 . 1 . . . . 85 ALA N . 15875 1 291 . 1 1 92 92 ALA H H 1 7.577 0.01 . 1 . . . . 86 ALA H . 15875 1 292 . 1 1 92 92 ALA C C 13 179.141 0.1 . 1 . . . . 86 ALA C . 15875 1 293 . 1 1 92 92 ALA CA C 13 54.820 0.1 . 1 . . . . 86 ALA CA . 15875 1 294 . 1 1 92 92 ALA CB C 13 17.111 0.1 . 1 . . . . 86 ALA CB . 15875 1 295 . 1 1 92 92 ALA N N 15 119.202 0.1 . 1 . . . . 86 ALA N . 15875 1 296 . 1 1 93 93 LEU H H 1 7.649 0.01 . 1 . . . . 87 LEU H . 15875 1 297 . 1 1 93 93 LEU C C 13 180.506 0.1 . 1 . . . . 87 LEU C . 15875 1 298 . 1 1 93 93 LEU CA C 13 57.257 0.1 . 1 . . . . 87 LEU CA . 15875 1 299 . 1 1 93 93 LEU CB C 13 40.482 0.1 . 1 . . . . 87 LEU CB . 15875 1 300 . 1 1 93 93 LEU N N 15 115.057 0.1 . 1 . . . . 87 LEU N . 15875 1 301 . 1 1 94 94 ARG H H 1 8.653 0.01 . 1 . . . . 88 ARG H . 15875 1 302 . 1 1 94 94 ARG C C 13 178.517 0.1 . 1 . . . . 88 ARG C . 15875 1 303 . 1 1 94 94 ARG CA C 13 59.480 0.1 . 1 . . . . 88 ARG CA . 15875 1 304 . 1 1 94 94 ARG CB C 13 27.936 0.1 . 1 . . . . 88 ARG CB . 15875 1 305 . 1 1 94 94 ARG N N 15 123.523 0.1 . 1 . . . . 88 ARG N . 15875 1 306 . 1 1 95 95 GLU H H 1 8.561 0.01 . 1 . . . . 89 GLU H . 15875 1 307 . 1 1 95 95 GLU C C 13 179.934 0.1 . 1 . . . . 89 GLU C . 15875 1 308 . 1 1 95 95 GLU CA C 13 58.439 0.1 . 1 . . . . 89 GLU CA . 15875 1 309 . 1 1 95 95 GLU CB C 13 26.895 0.1 . 1 . . . . 89 GLU CB . 15875 1 310 . 1 1 95 95 GLU N N 15 119.097 0.1 . 1 . . . . 89 GLU N . 15875 1 311 . 1 1 96 96 GLY H H 1 8.453 0.01 . 1 . . . . 90 GLY H . 15875 1 312 . 1 1 96 96 GLY C C 13 175.469 0.1 . 1 . . . . 90 GLY C . 15875 1 313 . 1 1 96 96 GLY CA C 13 47.358 0.1 . 1 . . . . 90 GLY CA . 15875 1 314 . 1 1 96 96 GLY N N 15 104.392 0.1 . 1 . . . . 90 GLY N . 15875 1 315 . 1 1 97 97 TRP H H 1 8.091 0.01 . 1 . . . . 91 TRP H . 15875 1 316 . 1 1 97 97 TRP C C 13 177.218 0.1 . 1 . . . . 91 TRP C . 15875 1 317 . 1 1 97 97 TRP CA C 13 60.102 0.1 . 1 . . . . 91 TRP CA . 15875 1 318 . 1 1 97 97 TRP CB C 13 28.696 0.1 . 1 . . . . 91 TRP CB . 15875 1 319 . 1 1 97 97 TRP N N 15 124.066 0.1 . 1 . . . . 91 TRP N . 15875 1 320 . 1 1 98 98 GLU H H 1 9.223 0.01 . 1 . . . . 92 GLU H . 15875 1 321 . 1 1 98 98 GLU C C 13 177.876 0.1 . 1 . . . . 92 GLU C . 15875 1 322 . 1 1 98 98 GLU CA C 13 60.314 0.1 . 1 . . . . 92 GLU CA . 15875 1 323 . 1 1 98 98 GLU CB C 13 29.526 0.1 . 1 . . . . 92 GLU CB . 15875 1 324 . 1 1 98 98 GLU N N 15 116.772 0.1 . 1 . . . . 92 GLU N . 15875 1 325 . 1 1 99 99 GLU H H 1 8.094 0.01 . 1 . . . . 93 GLU H . 15875 1 326 . 1 1 99 99 GLU C C 13 176.662 0.1 . 1 . . . . 93 GLU C . 15875 1 327 . 1 1 99 99 GLU CA C 13 57.783 0.1 . 1 . . . . 93 GLU CA . 15875 1 328 . 1 1 99 99 GLU CB C 13 30.116 0.1 . 1 . . . . 93 GLU CB . 15875 1 329 . 1 1 99 99 GLU N N 15 107.719 0.1 . 1 . . . . 93 GLU N . 15875 1 330 . 1 1 100 100 GLY H H 1 6.992 0.01 . 1 . . . . 94 GLY H . 15875 1 331 . 1 1 100 100 GLY C C 13 183.344 0.1 . 1 . . . . 94 GLY C . 15875 1 332 . 1 1 100 100 GLY CA C 13 43.887 0.1 . 1 . . . . 94 GLY CA . 15875 1 333 . 1 1 100 100 GLY N N 15 128.233 0.1 . 1 . . . . 94 GLY N . 15875 1 334 . 1 1 101 101 GLY H H 1 7.533 0.01 . 1 . . . . 95 GLY H . 15875 1 335 . 1 1 101 101 GLY C C 13 172.473 0.1 . 1 . . . . 95 GLY C . 15875 1 336 . 1 1 101 101 GLY CA C 13 46.323 0.1 . 1 . . . . 95 GLY CA . 15875 1 337 . 1 1 101 101 GLY N N 15 112.132 0.1 . 1 . . . . 95 GLY N . 15875 1 338 . 1 1 102 102 LEU H H 1 6.832 0.01 . 1 . . . . 96 LEU H . 15875 1 339 . 1 1 102 102 LEU C C 13 174.130 0.1 . 1 . . . . 96 LEU C . 15875 1 340 . 1 1 102 102 LEU CA C 13 53.458 0.1 . 1 . . . . 96 LEU CA . 15875 1 341 . 1 1 102 102 LEU CB C 13 43.421 0.1 . 1 . . . . 96 LEU CB . 15875 1 342 . 1 1 102 102 LEU N N 15 116.055 0.1 . 1 . . . . 96 LEU N . 15875 1 343 . 1 1 103 103 VAL H H 1 8.448 0.01 . 1 . . . . 97 VAL H . 15875 1 344 . 1 1 103 103 VAL C C 13 176.489 0.1 . 1 . . . . 97 VAL C . 15875 1 345 . 1 1 103 103 VAL CA C 13 60.555 0.1 . 1 . . . . 97 VAL CA . 15875 1 346 . 1 1 103 103 VAL CB C 13 33.385 0.1 . 1 . . . . 97 VAL CB . 15875 1 347 . 1 1 103 103 VAL N N 15 122.142 0.1 . 1 . . . . 97 VAL N . 15875 1 348 . 1 1 104 104 GLY H H 1 8.737 0.01 . 1 . . . . 98 GLY H . 15875 1 349 . 1 1 104 104 GLY C C 13 181.368 0.1 . 1 . . . . 98 GLY C . 15875 1 350 . 1 1 104 104 GLY CA C 13 46.146 0.1 . 1 . . . . 98 GLY CA . 15875 1 351 . 1 1 104 104 GLY N N 15 113.604 0.1 . 1 . . . . 98 GLY N . 15875 1 352 . 1 1 105 105 HIS H H 1 7.762 0.01 . 1 . . . . 99 HIS H . 15875 1 353 . 1 1 105 105 HIS C C 13 173.440 0.1 . 1 . . . . 99 HIS C . 15875 1 354 . 1 1 105 105 HIS CA C 13 53.315 0.1 . 1 . . . . 99 HIS CA . 15875 1 355 . 1 1 105 105 HIS CB C 13 31.162 0.1 . 1 . . . . 99 HIS CB . 15875 1 356 . 1 1 105 105 HIS N N 15 114.108 0.1 . 1 . . . . 99 HIS N . 15875 1 357 . 1 1 106 106 ILE H H 1 8.939 0.01 . 1 . . . . 100 ILE H . 15875 1 358 . 1 1 106 106 ILE C C 13 177.722 0.1 . 1 . . . . 100 ILE C . 15875 1 359 . 1 1 106 106 ILE CA C 13 60.585 0.1 . 1 . . . . 100 ILE CA . 15875 1 360 . 1 1 106 106 ILE CB C 13 38.843 0.1 . 1 . . . . 100 ILE CB . 15875 1 361 . 1 1 106 106 ILE N N 15 123.190 0.1 . 1 . . . . 100 ILE N . 15875 1 362 . 1 1 107 107 THR H H 1 9.093 0.01 . 1 . . . . 101 THR H . 15875 1 363 . 1 1 107 107 THR C C 13 175.905 0.1 . 1 . . . . 101 THR C . 15875 1 364 . 1 1 107 107 THR CA C 13 61.846 0.1 . 1 . . . . 101 THR CA . 15875 1 365 . 1 1 107 107 THR CB C 13 67.366 0.1 . 1 . . . . 101 THR CB . 15875 1 366 . 1 1 107 107 THR N N 15 119.160 0.1 . 1 . . . . 101 THR N . 15875 1 367 . 1 1 108 108 ARG H H 1 7.504 0.01 . 1 . . . . 102 ARG H . 15875 1 368 . 1 1 108 108 ARG C C 13 174.859 0.1 . 1 . . . . 102 ARG C . 15875 1 369 . 1 1 108 108 ARG CA C 13 54.892 0.1 . 1 . . . . 102 ARG CA . 15875 1 370 . 1 1 108 108 ARG CB C 13 30.446 0.1 . 1 . . . . 102 ARG CB . 15875 1 371 . 1 1 108 108 ARG N N 15 115.976 0.1 . 1 . . . . 102 ARG N . 15875 1 372 . 1 1 109 109 SER H H 1 8.715 0.01 . 1 . . . . 103 SER H . 15875 1 373 . 1 1 109 109 SER C C 13 175.959 0.1 . 1 . . . . 103 SER C . 15875 1 374 . 1 1 109 109 SER CA C 13 57.401 0.1 . 1 . . . . 103 SER CA . 15875 1 375 . 1 1 109 109 SER CB C 13 62.276 0.1 . 1 . . . . 103 SER CB . 15875 1 376 . 1 1 109 109 SER N N 15 114.092 0.1 . 1 . . . . 103 SER N . 15875 1 377 . 1 1 110 110 LEU H H 1 9.301 0.01 . 1 . . . . 104 LEU H . 15875 1 378 . 1 1 110 110 LEU C C 13 175.773 0.1 . 1 . . . . 104 LEU C . 15875 1 379 . 1 1 110 110 LEU CA C 13 53.960 0.1 . 1 . . . . 104 LEU CA . 15875 1 380 . 1 1 110 110 LEU CB C 13 40.984 0.1 . 1 . . . . 104 LEU CB . 15875 1 381 . 1 1 110 110 LEU N N 15 127.205 0.1 . 1 . . . . 104 LEU N . 15875 1 382 . 1 1 111 111 GLY H H 1 8.044 0.01 . 1 . . . . 105 GLY H . 15875 1 383 . 1 1 111 111 GLY C C 13 171.969 0.1 . 1 . . . . 105 GLY C . 15875 1 384 . 1 1 111 111 GLY CA C 13 43.063 0.1 . 1 . . . . 105 GLY CA . 15875 1 385 . 1 1 111 111 GLY N N 15 106.759 0.1 . 1 . . . . 105 GLY N . 15875 1 386 . 1 1 112 112 SER H H 1 7.730 0.01 . 1 . . . . 106 SER H . 15875 1 387 . 1 1 112 112 SER C C 13 174.236 0.1 . 1 . . . . 106 SER C . 15875 1 388 . 1 1 112 112 SER CA C 13 56.469 0.1 . 1 . . . . 106 SER CA . 15875 1 389 . 1 1 112 112 SER CB C 13 63.925 0.1 . 1 . . . . 106 SER CB . 15875 1 390 . 1 1 112 112 SER N N 15 112.517 0.1 . 1 . . . . 106 SER N . 15875 1 391 . 1 1 114 114 LYS H H 1 8.036 0.01 . 1 . . . . 108 LYS H . 15875 1 392 . 1 1 114 114 LYS CA C 13 57.734 0.1 . 1 . . . . 108 LYS CA . 15875 1 393 . 1 1 114 114 LYS CB C 13 29.921 0.1 . 1 . . . . 108 LYS CB . 15875 1 394 . 1 1 114 114 LYS N N 15 120.301 0.1 . 1 . . . . 108 LYS N . 15875 1 395 . 1 1 115 115 ASP H H 1 8.771 0.01 . 1 . . . . 109 ASP H . 15875 1 396 . 1 1 115 115 ASP C C 13 174.130 0.1 . 1 . . . . 109 ASP C . 15875 1 397 . 1 1 115 115 ASP CA C 13 56.509 0.1 . 1 . . . . 109 ASP CA . 15875 1 398 . 1 1 115 115 ASP CB C 13 40.945 0.1 . 1 . . . . 109 ASP CB . 15875 1 399 . 1 1 115 115 ASP N N 15 118.319 0.1 . 1 . . . . 109 ASP N . 15875 1 400 . 1 1 116 116 LYS H H 1 8.817 0.01 . 1 . . . . 110 LYS H . 15875 1 401 . 1 1 116 116 LYS C C 13 178.093 0.1 . 1 . . . . 110 LYS C . 15875 1 402 . 1 1 116 116 LYS CA C 13 57.806 0.1 . 1 . . . . 110 LYS CA . 15875 1 403 . 1 1 116 116 LYS CB C 13 31.434 0.1 . 1 . . . . 110 LYS CB . 15875 1 404 . 1 1 116 116 LYS N N 15 124.983 0.1 . 1 . . . . 110 LYS N . 15875 1 405 . 1 1 118 118 PRO C C 13 176.514 0.1 . 1 . . . . 112 PRO C . 15875 1 406 . 1 1 118 118 PRO CA C 13 64.579 0.1 . 1 . . . . 112 PRO CA . 15875 1 407 . 1 1 118 118 PRO CB C 13 31.794 0.1 . 1 . . . . 112 PRO CB . 15875 1 408 . 1 1 119 119 THR H H 1 8.090 0.01 . 1 . . . . 113 THR H . 15875 1 409 . 1 1 119 119 THR CA C 13 61.625 0.1 . 1 . . . . 113 THR CA . 15875 1 410 . 1 1 119 119 THR CB C 13 69.479 0.1 . 1 . . . . 113 THR CB . 15875 1 411 . 1 1 119 119 THR N N 15 113.932 0.1 . 1 . . . . 113 THR N . 15875 1 412 . 1 1 120 120 ASP H H 1 8.277 0.01 . 1 . . . . 114 ASP H . 15875 1 413 . 1 1 120 120 ASP C C 13 176.184 0.1 . 1 . . . . 114 ASP C . 15875 1 414 . 1 1 120 120 ASP CA C 13 53.339 0.1 . 1 . . . . 114 ASP CA . 15875 1 415 . 1 1 120 120 ASP CB C 13 40.369 0.1 . 1 . . . . 114 ASP CB . 15875 1 416 . 1 1 120 120 ASP N N 15 120.672 0.1 . 1 . . . . 114 ASP N . 15875 1 417 . 1 1 123 123 ASP H H 1 8.048 0.01 . 1 . . . . 117 ASP H . 15875 1 418 . 1 1 123 123 ASP CA C 13 54.420 0.1 . 1 . . . . 117 ASP CA . 15875 1 419 . 1 1 123 123 ASP CB C 13 40.225 0.1 . 1 . . . . 117 ASP CB . 15875 1 420 . 1 1 123 123 ASP N N 15 124.844 0.1 . 1 . . . . 117 ASP N . 15875 1 421 . 1 1 125 125 ARG H H 1 8.737 0.01 . 1 . . . . 119 ARG H . 15875 1 422 . 1 1 125 125 ARG C C 13 174.882 0.1 . 1 . . . . 119 ARG C . 15875 1 423 . 1 1 125 125 ARG CA C 13 56.869 0.1 . 1 . . . . 119 ARG CA . 15875 1 424 . 1 1 125 125 ARG CB C 13 31.218 0.1 . 1 . . . . 119 ARG CB . 15875 1 425 . 1 1 125 125 ARG N N 15 117.389 0.1 . 1 . . . . 119 ARG N . 15875 1 426 . 1 1 126 126 LYS H H 1 8.871 0.01 . 1 . . . . 120 LYS H . 15875 1 427 . 1 1 126 126 LYS C C 13 174.539 0.1 . 1 . . . . 120 LYS C . 15875 1 428 . 1 1 126 126 LYS CA C 13 56.009 0.1 . 1 . . . . 120 LYS CA . 15875 1 429 . 1 1 126 126 LYS CB C 13 36.550 0.1 . 1 . . . . 120 LYS CB . 15875 1 430 . 1 1 126 126 LYS N N 15 123.132 0.1 . 1 . . . . 120 LYS N . 15875 1 431 . 1 1 127 127 LYS H H 1 7.594 0.01 . 1 . . . . 121 LYS H . 15875 1 432 . 1 1 127 127 LYS C C 13 171.743 0.1 . 1 . . . . 121 LYS C . 15875 1 433 . 1 1 127 127 LYS CA C 13 55.162 0.1 . 1 . . . . 121 LYS CA . 15875 1 434 . 1 1 127 127 LYS CB C 13 33.091 0.1 . 1 . . . . 121 LYS CB . 15875 1 435 . 1 1 127 127 LYS N N 15 118.698 0.1 . 1 . . . . 121 LYS N . 15875 1 436 . 1 1 129 129 LEU H H 1 8.247 0.01 . 1 . . . . 123 LEU H . 15875 1 437 . 1 1 129 129 LEU C C 13 178.226 0.1 . 1 . . . . 123 LEU C . 15875 1 438 . 1 1 129 129 LEU CA C 13 56.509 0.1 . 1 . . . . 123 LEU CA . 15875 1 439 . 1 1 129 129 LEU CB C 13 40.945 0.1 . 1 . . . . 123 LEU CB . 15875 1 440 . 1 1 129 129 LEU N N 15 121.406 0.1 . 1 . . . . 123 LEU N . 15875 1 441 . 1 1 130 130 LYS H H 1 7.939 0.01 . 1 . . . . 124 LYS H . 15875 1 442 . 1 1 130 130 LYS C C 13 178.080 0.1 . 1 . . . . 124 LYS C . 15875 1 443 . 1 1 130 130 LYS CA C 13 57.806 0.1 . 1 . . . . 124 LYS CA . 15875 1 444 . 1 1 130 130 LYS CB C 13 31.434 0.1 . 1 . . . . 124 LYS CB . 15875 1 445 . 1 1 130 130 LYS N N 15 119.310 0.1 . 1 . . . . 124 LYS N . 15875 1 446 . 1 1 131 131 GLN H H 1 7.965 0.01 . 1 . . . . 125 GLN H . 15875 1 447 . 1 1 131 131 GLN C C 13 177.152 0.1 . 1 . . . . 125 GLN C . 15875 1 448 . 1 1 131 131 GLN CA C 13 56.869 0.1 . 1 . . . . 125 GLN CA . 15875 1 449 . 1 1 131 131 GLN CB C 13 28.119 0.1 . 1 . . . . 125 GLN CB . 15875 1 450 . 1 1 131 131 GLN N N 15 118.777 0.1 . 1 . . . . 125 GLN N . 15875 1 451 . 1 1 132 132 LEU H H 1 8.008 0.01 . 1 . . . . 126 LEU H . 15875 1 452 . 1 1 132 132 LEU C C 13 178.211 0.1 . 1 . . . . 126 LEU C . 15875 1 453 . 1 1 132 132 LEU CA C 13 55.789 0.1 . 1 . . . . 126 LEU CA . 15875 1 454 . 1 1 132 132 LEU CB C 13 41.233 0.1 . 1 . . . . 126 LEU CB . 15875 1 455 . 1 1 132 132 LEU N N 15 121.257 0.1 . 1 . . . . 126 LEU N . 15875 1 456 . 1 1 133 133 MET H H 1 8.103 0.01 . 1 . . . . 127 MET H . 15875 1 457 . 1 1 133 133 MET C C 13 176.778 0.1 . 1 . . . . 127 MET C . 15875 1 458 . 1 1 133 133 MET CA C 13 55.691 0.1 . 1 . . . . 127 MET CA . 15875 1 459 . 1 1 133 133 MET CB C 13 31.873 0.1 . 1 . . . . 127 MET CB . 15875 1 460 . 1 1 133 133 MET N N 15 118.498 0.1 . 1 . . . . 127 MET N . 15875 1 461 . 1 1 135 135 LYS H H 1 7.943 0.01 . 1 . . . . 129 LYS H . 15875 1 462 . 1 1 135 135 LYS C C 13 176.899 0.1 . 1 . . . . 129 LYS C . 15875 1 463 . 1 1 135 135 LYS CA C 13 56.487 0.1 . 1 . . . . 129 LYS CA . 15875 1 464 . 1 1 135 135 LYS CB C 13 31.794 0.1 . 1 . . . . 129 LYS CB . 15875 1 465 . 1 1 135 135 LYS N N 15 120.120 0.1 . 1 . . . . 129 LYS N . 15875 1 466 . 1 1 137 137 SER C C 13 175.003 0.1 . 1 . . . . 131 SER C . 15875 1 467 . 1 1 137 137 SER CA C 13 56.487 0.1 . 1 . . . . 131 SER CA . 15875 1 468 . 1 1 137 137 SER CB C 13 64.579 0.1 . 1 . . . . 131 SER CB . 15875 1 469 . 1 1 138 138 GLY H H 1 8.366 0.01 . 1 . . . . 132 GLY H . 15875 1 470 . 1 1 138 138 GLY C C 13 173.957 0.1 . 1 . . . . 132 GLY C . 15875 1 471 . 1 1 138 138 GLY CA C 13 45.052 0.1 . 1 . . . . 132 GLY CA . 15875 1 472 . 1 1 138 138 GLY N N 15 110.322 0.1 . 1 . . . . 132 GLY N . 15875 1 473 . 1 1 139 139 ASN H H 1 8.258 0.01 . 1 . . . . 133 ASN H . 15875 1 474 . 1 1 139 139 ASN C C 13 174.859 0.1 . 1 . . . . 133 ASN C . 15875 1 475 . 1 1 139 139 ASN CA C 13 52.906 0.1 . 1 . . . . 133 ASN CA . 15875 1 476 . 1 1 139 139 ASN CB C 13 38.712 0.1 . 1 . . . . 133 ASN CB . 15875 1 477 . 1 1 139 139 ASN N N 15 118.325 0.1 . 1 . . . . 133 ASN N . 15875 1 478 . 1 1 140 140 ASP H H 1 8.333 0.01 . 1 . . . . 134 ASP H . 15875 1 479 . 1 1 140 140 ASP C C 13 176.237 0.1 . 1 . . . . 134 ASP C . 15875 1 480 . 1 1 140 140 ASP CA C 13 54.131 0.1 . 1 . . . . 134 ASP CA . 15875 1 481 . 1 1 140 140 ASP CB C 13 40.585 0.1 . 1 . . . . 134 ASP CB . 15875 1 482 . 1 1 140 140 ASP N N 15 120.270 0.1 . 1 . . . . 134 ASP N . 15875 1 483 . 1 1 141 141 VAL H H 1 8.049 0.01 . 1 . . . . 135 VAL H . 15875 1 484 . 1 1 141 141 VAL C C 13 176.489 0.1 . 1 . . . . 135 VAL C . 15875 1 485 . 1 1 141 141 VAL CA C 13 61.985 0.1 . 1 . . . . 135 VAL CA . 15875 1 486 . 1 1 141 141 VAL CB C 13 31.722 0.1 . 1 . . . . 135 VAL CB . 15875 1 487 . 1 1 141 141 VAL N N 15 119.378 0.1 . 1 . . . . 135 VAL N . 15875 1 488 . 1 1 142 142 SER H H 1 8.392 0.01 . 1 . . . . 136 SER H . 15875 1 489 . 1 1 142 142 SER C C 13 174.978 0.1 . 1 . . . . 136 SER C . 15875 1 490 . 1 1 142 142 SER CA C 13 58.424 0.1 . 1 . . . . 136 SER CA . 15875 1 491 . 1 1 142 142 SER CB C 13 63.499 0.1 . 1 . . . . 136 SER CB . 15875 1 492 . 1 1 142 142 SER N N 15 118.751 0.1 . 1 . . . . 136 SER N . 15875 1 493 . 1 1 143 143 THR H H 1 8.105 0.01 . 1 . . . . 137 THR H . 15875 1 494 . 1 1 143 143 THR C C 13 174.435 0.1 . 1 . . . . 137 THR C . 15875 1 495 . 1 1 143 143 THR CA C 13 61.697 0.1 . 1 . . . . 137 THR CA . 15875 1 496 . 1 1 143 143 THR CB C 13 69.191 0.1 . 1 . . . . 137 THR CB . 15875 1 497 . 1 1 143 143 THR N N 15 115.060 0.1 . 1 . . . . 137 THR N . 15875 1 498 . 1 1 144 144 ASN H H 1 8.357 0.01 . 1 . . . . 138 ASN H . 15875 1 499 . 1 1 144 144 ASN C C 13 175.601 0.1 . 1 . . . . 138 ASN C . 15875 1 500 . 1 1 144 144 ASN CA C 13 53.627 0.1 . 1 . . . . 138 ASN CA . 15875 1 501 . 1 1 144 144 ASN CB C 13 38.279 0.1 . 1 . . . . 138 ASN CB . 15875 1 502 . 1 1 144 144 ASN N N 15 120.738 0.1 . 1 . . . . 138 ASN N . 15875 1 503 . 1 1 145 145 THR H H 1 8.128 0.01 . 1 . . . . 139 THR H . 15875 1 504 . 1 1 145 145 THR C C 13 174.806 0.1 . 1 . . . . 139 THR C . 15875 1 505 . 1 1 145 145 THR CA C 13 62.057 0.1 . 1 . . . . 139 THR CA . 15875 1 506 . 1 1 145 145 THR CB C 13 69.191 0.1 . 1 . . . . 139 THR CB . 15875 1 507 . 1 1 145 145 THR N N 15 114.519 0.1 . 1 . . . . 139 THR N . 15875 1 508 . 1 1 146 146 GLU H H 1 8.375 0.01 . 1 . . . . 140 GLU H . 15875 1 509 . 1 1 146 146 GLU C C 13 176.715 0.1 . 1 . . . . 140 GLU C . 15875 1 510 . 1 1 146 146 GLU CA C 13 56.437 0.1 . 1 . . . . 140 GLU CA . 15875 1 511 . 1 1 146 146 GLU CB C 13 29.128 0.1 . 1 . . . . 140 GLU CB . 15875 1 512 . 1 1 146 146 GLU N N 15 122.790 0.1 . 1 . . . . 140 GLU N . 15875 1 513 . 1 1 147 147 LEU H H 1 8.194 0.01 . 1 . . . . 141 LEU H . 15875 1 514 . 1 1 147 147 LEU C C 13 178.160 0.1 . 1 . . . . 141 LEU C . 15875 1 515 . 1 1 147 147 LEU CA C 13 55.181 0.1 . 1 . . . . 141 LEU CA . 15875 1 516 . 1 1 147 147 LEU CB C 13 41.738 0.1 . 1 . . . . 141 LEU CB . 15875 1 517 . 1 1 147 147 LEU N N 15 122.261 0.1 . 1 . . . . 141 LEU N . 15875 1 518 . 1 1 148 148 GLY H H 1 8.343 0.01 . 1 . . . . 142 GLY H . 15875 1 519 . 1 1 148 148 GLY C C 13 174.474 0.1 . 1 . . . . 142 GLY C . 15875 1 520 . 1 1 148 148 GLY CA C 13 45.052 0.1 . 1 . . . . 142 GLY CA . 15875 1 521 . 1 1 148 148 GLY N N 15 109.064 0.1 . 1 . . . . 142 GLY N . 15875 1 522 . 1 1 149 149 ALA H H 1 8.166 0.01 . 1 . . . . 143 ALA H . 15875 1 523 . 1 1 149 149 ALA C C 13 178.769 0.1 . 1 . . . . 143 ALA C . 15875 1 524 . 1 1 149 149 ALA CA C 13 52.979 0.1 . 1 . . . . 143 ALA CA . 15875 1 525 . 1 1 149 149 ALA CB C 13 18.104 0.1 . 1 . . . . 143 ALA CB . 15875 1 526 . 1 1 149 149 ALA N N 15 123.512 0.1 . 1 . . . . 143 ALA N . 15875 1 527 . 1 1 150 150 GLU H H 1 8.437 0.01 . 1 . . . . 144 GLU H . 15875 1 528 . 1 1 150 150 GLU C C 13 177.364 0.1 . 1 . . . . 144 GLU C . 15875 1 529 . 1 1 150 150 GLU CA C 13 52.906 0.1 . 1 . . . . 144 GLU CA . 15875 1 530 . 1 1 150 150 GLU CB C 13 28.696 0.1 . 1 . . . . 144 GLU CB . 15875 1 531 . 1 1 150 150 GLU N N 15 118.731 0.1 . 1 . . . . 144 GLU N . 15875 1 532 . 1 1 151 151 ALA H H 1 8.067 0.01 . 1 . . . . 145 ALA H . 15875 1 533 . 1 1 151 151 ALA C C 13 178.690 0.1 . 1 . . . . 145 ALA C . 15875 1 534 . 1 1 151 151 ALA CA C 13 53.195 0.1 . 1 . . . . 145 ALA CA . 15875 1 535 . 1 1 151 151 ALA CB C 13 17.960 0.1 . 1 . . . . 145 ALA CB . 15875 1 536 . 1 1 151 151 ALA N N 15 122.822 0.1 . 1 . . . . 145 ALA N . 15875 1 537 . 1 1 152 152 GLU H H 1 8.138 0.01 . 1 . . . . 146 GLU H . 15875 1 538 . 1 1 152 152 GLU C C 13 177.073 0.1 . 1 . . . . 146 GLU C . 15875 1 539 . 1 1 152 152 GLU CA C 13 57.230 0.1 . 1 . . . . 146 GLU CA . 15875 1 540 . 1 1 152 152 GLU CB C 13 29.056 0.1 . 1 . . . . 146 GLU CB . 15875 1 541 . 1 1 152 152 GLU N N 15 117.814 0.1 . 1 . . . . 146 GLU N . 15875 1 542 . 1 1 153 153 LYS H H 1 7.864 0.01 . 1 . . . . 147 LYS H . 15875 1 543 . 1 1 153 153 LYS C C 13 176.648 0.1 . 1 . . . . 147 LYS C . 15875 1 544 . 1 1 153 153 LYS CA C 13 56.365 0.1 . 1 . . . . 147 LYS CA . 15875 1 545 . 1 1 153 153 LYS CB C 13 31.794 0.1 . 1 . . . . 147 LYS CB . 15875 1 546 . 1 1 153 153 LYS N N 15 119.377 0.1 . 1 . . . . 147 LYS N . 15875 1 547 . 1 1 154 154 LEU H H 1 7.728 0.01 . 1 . . . . 148 LEU H . 15875 1 548 . 1 1 154 154 LEU C C 13 176.622 0.1 . 1 . . . . 148 LEU C . 15875 1 549 . 1 1 154 154 LEU CA C 13 54.924 0.1 . 1 . . . . 148 LEU CA . 15875 1 550 . 1 1 154 154 LEU CB C 13 41.522 0.1 . 1 . . . . 148 LEU CB . 15875 1 551 . 1 1 154 154 LEU N N 15 121.120 0.1 . 1 . . . . 148 LEU N . 15875 1 552 . 1 1 155 155 LEU C C 13 176.423 0.1 . 1 . . . . 149 LEU C . 15875 1 553 . 1 1 155 155 LEU CA C 13 54.276 0.1 . 1 . . . . 149 LEU CA . 15875 1 554 . 1 1 155 155 LEU CB C 13 41.330 0.1 . 1 . . . . 149 LEU CB . 15875 1 555 . 1 1 156 156 LEU H H 1 8.031 0.01 . 1 . . . . 150 LEU H . 15875 1 556 . 1 1 156 156 LEU C C 13 174.408 0.1 . 1 . . . . 150 LEU C . 15875 1 557 . 1 1 156 156 LEU CA C 13 51.826 0.1 . 1 . . . . 150 LEU CA . 15875 1 558 . 1 1 156 156 LEU CB C 13 41.161 0.1 . 1 . . . . 150 LEU CB . 15875 1 559 . 1 1 156 156 LEU N N 15 123.528 0.1 . 1 . . . . 150 LEU N . 15875 1 560 . 1 1 158 158 PRO C C 13 176.912 0.1 . 1 . . . . 152 PRO C . 15875 1 561 . 1 1 158 158 PRO CA C 13 62.706 0.1 . 1 . . . . 152 PRO CA . 15875 1 562 . 1 1 158 158 PRO CB C 13 31.218 0.1 . 1 . . . . 152 PRO CB . 15875 1 563 . 1 1 159 159 ARG H H 1 8.440 0.01 . 1 . . . . 153 ARG H . 15875 1 564 . 1 1 159 159 ARG C C 13 176.025 0.1 . 1 . . . . 153 ARG C . 15875 1 565 . 1 1 159 159 ARG CA C 13 55.925 0.1 . 1 . . . . 153 ARG CA . 15875 1 566 . 1 1 159 159 ARG CB C 13 29.921 0.1 . 1 . . . . 153 ARG CB . 15875 1 567 . 1 1 159 159 ARG N N 15 121.713 0.1 . 1 . . . . 153 ARG N . 15875 1 568 . 1 1 160 160 ALA H H 1 8.641 0.01 . 1 . . . . 154 ALA H . 15875 1 569 . 1 1 160 160 ALA C C 13 178.252 0.1 . 1 . . . . 154 ALA C . 15875 1 570 . 1 1 160 160 ALA CA C 13 52.114 0.1 . 1 . . . . 154 ALA CA . 15875 1 571 . 1 1 160 160 ALA CB C 13 18.536 0.1 . 1 . . . . 154 ALA CB . 15875 1 572 . 1 1 160 160 ALA N N 15 122.694 0.1 . 1 . . . . 154 ALA N . 15875 1 573 . 1 1 161 161 GLU H H 1 8.568 0.01 . 1 . . . . 155 GLU H . 15875 1 574 . 1 1 161 161 GLU C C 13 174.315 0.1 . 1 . . . . 155 GLU C . 15875 1 575 . 1 1 161 161 GLU CA C 13 54.708 0.1 . 1 . . . . 155 GLU CA . 15875 1 576 . 1 1 161 161 GLU CB C 13 30.137 0.1 . 1 . . . . 155 GLU CB . 15875 1 577 . 1 1 161 161 GLU N N 15 122.372 0.1 . 1 . . . . 155 GLU N . 15875 1 578 . 1 1 162 162 CYS H H 1 8.356 0.01 . 1 . . . . 156 CYS H . 15875 1 579 . 1 1 162 162 CYS C C 13 172.486 0.1 . 1 . . . . 156 CYS C . 15875 1 580 . 1 1 162 162 CYS CA C 13 56.509 0.1 . 1 . . . . 156 CYS CA . 15875 1 581 . 1 1 162 162 CYS CB C 13 29.344 0.1 . 1 . . . . 156 CYS CB . 15875 1 582 . 1 1 162 162 CYS N N 15 123.744 0.1 . 1 . . . . 156 CYS N . 15875 1 583 . 1 1 163 163 GLU H H 1 8.008 0.01 . 1 . . . . 157 GLU H . 15875 1 584 . 1 1 163 163 GLU C C 13 174.753 0.1 . 1 . . . . 157 GLU C . 15875 1 585 . 1 1 163 163 GLU CA C 13 54.636 0.1 . 1 . . . . 157 GLU CA . 15875 1 586 . 1 1 163 163 GLU CB C 13 29.488 0.1 . 1 . . . . 157 GLU CB . 15875 1 587 . 1 1 163 163 GLU N N 15 130.499 0.1 . 1 . . . . 157 GLU N . 15875 1 588 . 1 1 167 167 VAL H H 1 8.817 0.01 . 1 . . . . 161 VAL H . 15875 1 589 . 1 1 167 167 VAL C C 13 174.501 0.1 . 1 . . . . 161 VAL C . 15875 1 590 . 1 1 167 167 VAL CA C 13 58.959 0.1 . 1 . . . . 161 VAL CA . 15875 1 591 . 1 1 167 167 VAL CB C 13 35.973 0.1 . 1 . . . . 161 VAL CB . 15875 1 592 . 1 1 167 167 VAL N N 15 128.355 0.1 . 1 . . . . 161 VAL N . 15875 1 593 . 1 1 168 168 ILE H H 1 8.277 0.01 . 1 . . . . 162 ILE H . 15875 1 594 . 1 1 168 168 ILE C C 13 176.410 0.1 . 1 . . . . 162 ILE C . 15875 1 595 . 1 1 168 168 ILE CA C 13 57.590 0.1 . 1 . . . . 162 ILE CA . 15875 1 596 . 1 1 168 168 ILE CB C 13 35.397 0.1 . 1 . . . . 162 ILE CB . 15875 1 597 . 1 1 168 168 ILE N N 15 124.963 0.1 . 1 . . . . 162 ILE N . 15875 1 598 . 1 1 169 169 VAL H H 1 9.061 0.01 . 1 . . . . 163 VAL H . 15875 1 599 . 1 1 169 169 VAL C C 13 175.734 0.1 . 1 . . . . 163 VAL C . 15875 1 600 . 1 1 169 169 VAL CA C 13 64.291 0.1 . 1 . . . . 163 VAL CA . 15875 1 601 . 1 1 169 169 VAL CB C 13 31.938 0.1 . 1 . . . . 163 VAL CB . 15875 1 602 . 1 1 169 169 VAL N N 15 128.597 0.1 . 1 . . . . 163 VAL N . 15875 1 603 . 1 1 170 170 GLU H H 1 9.704 0.01 . 1 . . . . 164 GLU H . 15875 1 604 . 1 1 170 170 GLU C C 13 176.927 0.1 . 1 . . . . 164 GLU C . 15875 1 605 . 1 1 170 170 GLU CA C 13 57.086 0.1 . 1 . . . . 164 GLU CA . 15875 1 606 . 1 1 170 170 GLU CB C 13 30.353 0.1 . 1 . . . . 164 GLU CB . 15875 1 607 . 1 1 170 170 GLU N N 15 129.476 0.1 . 1 . . . . 164 GLU N . 15875 1 608 . 1 1 171 171 ARG H H 1 7.998 0.01 . 1 . . . . 165 ARG H . 15875 1 609 . 1 1 171 171 ARG C C 13 172.698 0.1 . 1 . . . . 165 ARG C . 15875 1 610 . 1 1 171 171 ARG CA C 13 54.996 0.1 . 1 . . . . 165 ARG CA . 15875 1 611 . 1 1 171 171 ARG CB C 13 31.794 0.1 . 1 . . . . 165 ARG CB . 15875 1 612 . 1 1 171 171 ARG N N 15 114.371 0.1 . 1 . . . . 165 ARG N . 15875 1 613 . 1 1 172 172 LEU H H 1 8.450 0.01 . 1 . . . . 166 LEU H . 15875 1 614 . 1 1 172 172 LEU C C 13 177.722 0.1 . 1 . . . . 166 LEU C . 15875 1 615 . 1 1 172 172 LEU CA C 13 52.762 0.1 . 1 . . . . 166 LEU CA . 15875 1 616 . 1 1 172 172 LEU CB C 13 41.810 0.1 . 1 . . . . 166 LEU CB . 15875 1 617 . 1 1 172 172 LEU N N 15 119.081 0.1 . 1 . . . . 166 LEU N . 15875 1 618 . 1 1 173 173 GLU H H 1 8.992 0.01 . 1 . . . . 167 GLU H . 15875 1 619 . 1 1 173 173 GLU C C 13 177.656 0.1 . 1 . . . . 167 GLU C . 15875 1 620 . 1 1 173 173 GLU CA C 13 54.708 0.1 . 1 . . . . 167 GLU CA . 15875 1 621 . 1 1 173 173 GLU CB C 13 30.497 0.1 . 1 . . . . 167 GLU CB . 15875 1 622 . 1 1 173 173 GLU N N 15 122.006 0.1 . 1 . . . . 167 GLU N . 15875 1 623 . 1 1 174 174 ASP H H 1 8.855 0.01 . 1 . . . . 168 ASP H . 15875 1 624 . 1 1 174 174 ASP C C 13 175.601 0.1 . 1 . . . . 168 ASP C . 15875 1 625 . 1 1 174 174 ASP CA C 13 55.789 0.1 . 1 . . . . 168 ASP CA . 15875 1 626 . 1 1 174 174 ASP CB C 13 41.017 0.1 . 1 . . . . 168 ASP CB . 15875 1 627 . 1 1 174 174 ASP N N 15 120.410 0.1 . 1 . . . . 168 ASP N . 15875 1 628 . 1 1 175 175 ASN H H 1 7.965 0.01 . 1 . . . . 169 ASN H . 15875 1 629 . 1 1 175 175 ASN C C 13 172.990 0.1 . 1 . . . . 169 ASN C . 15875 1 630 . 1 1 175 175 ASN CA C 13 52.042 0.1 . 1 . . . . 169 ASN CA . 15875 1 631 . 1 1 175 175 ASN CB C 13 39.144 0.1 . 1 . . . . 169 ASN CB . 15875 1 632 . 1 1 175 175 ASN N N 15 116.345 0.1 . 1 . . . . 169 ASN N . 15875 1 633 . 1 1 176 176 TYR H H 1 7.348 0.01 . 1 . . . . 170 TYR H . 15875 1 634 . 1 1 176 176 TYR C C 13 175.336 0.1 . 1 . . . . 170 TYR C . 15875 1 635 . 1 1 176 176 TYR CA C 13 55.356 0.1 . 1 . . . . 170 TYR CA . 15875 1 636 . 1 1 176 176 TYR CB C 13 34.028 0.1 . 1 . . . . 170 TYR CB . 15875 1 637 . 1 1 176 176 TYR N N 15 119.546 0.1 . 1 . . . . 170 TYR N . 15875 1 638 . 1 1 177 177 PRO C C 13 178.715 0.1 . 1 . . . . 171 PRO C . 15875 1 639 . 1 1 177 177 PRO CA C 13 67.094 0.1 . 1 . . . . 171 PRO CA . 15875 1 640 . 1 1 177 177 PRO CB C 13 27.255 0.1 . 1 . . . . 171 PRO CB . 15875 1 641 . 1 1 178 178 GLU H H 1 7.506 0.01 . 1 . . . . 172 GLU H . 15875 1 642 . 1 1 178 178 GLU C C 13 176.383 0.1 . 1 . . . . 172 GLU C . 15875 1 643 . 1 1 178 178 GLU CA C 13 55.572 0.1 . 1 . . . . 172 GLU CA . 15875 1 644 . 1 1 178 178 GLU CB C 13 27.183 0.1 . 1 . . . . 172 GLU CB . 15875 1 645 . 1 1 178 178 GLU N N 15 112.582 0.1 . 1 . . . . 172 GLU N . 15875 1 646 . 1 1 179 179 MET H H 1 6.574 0.01 . 1 . . . . 173 MET H . 15875 1 647 . 1 1 179 179 MET C C 13 175.957 0.1 . 1 . . . . 173 MET C . 15875 1 648 . 1 1 179 179 MET CA C 13 58.671 0.1 . 1 . . . . 173 MET CA . 15875 1 649 . 1 1 179 179 MET CB C 13 31.074 0.1 . 1 . . . . 173 MET CB . 15875 1 650 . 1 1 179 179 MET N N 15 118.256 0.1 . 1 . . . . 173 MET N . 15875 1 651 . 1 1 180 180 ARG C C 13 176.806 0.1 . 1 . . . . 174 ARG C . 15875 1 652 . 1 1 180 180 ARG CA C 13 58.992 0.1 . 1 . . . . 174 ARG CA . 15875 1 653 . 1 1 180 180 ARG CB C 13 28.696 0.1 . 1 . . . . 174 ARG CB . 15875 1 654 . 1 1 181 181 LYS H H 1 7.632 0.01 . 1 . . . . 175 LYS H . 15875 1 655 . 1 1 181 181 LYS C C 13 175.931 0.1 . 1 . . . . 175 LYS C . 15875 1 656 . 1 1 181 181 LYS CA C 13 56.221 0.1 . 1 . . . . 175 LYS CA . 15875 1 657 . 1 1 181 181 LYS CB C 13 34.172 0.1 . 1 . . . . 175 LYS CB . 15875 1 658 . 1 1 181 181 LYS N N 15 117.864 0.1 . 1 . . . . 175 LYS N . 15875 1 659 . 1 1 182 182 ARG H H 1 7.808 0.01 . 1 . . . . 176 ARG H . 15875 1 660 . 1 1 182 182 ARG C C 13 175.825 0.1 . 1 . . . . 176 ARG C . 15875 1 661 . 1 1 182 182 ARG CA C 13 54.203 0.1 . 1 . . . . 176 ARG CA . 15875 1 662 . 1 1 182 182 ARG CB C 13 33.091 0.1 . 1 . . . . 176 ARG CB . 15875 1 663 . 1 1 182 182 ARG N N 15 118.091 0.1 . 1 . . . . 176 ARG N . 15875 1 664 . 1 1 185 185 LYS H H 1 8.445 0.01 . 1 . . . . 179 LYS H . 15875 1 665 . 1 1 185 185 LYS C C 13 177.074 0.1 . 1 . . . . 179 LYS C . 15875 1 666 . 1 1 185 185 LYS CA C 13 55.789 0.1 . 1 . . . . 179 LYS CA . 15875 1 667 . 1 1 185 185 LYS CB C 13 30.930 0.1 . 1 . . . . 179 LYS CB . 15875 1 668 . 1 1 185 185 LYS N N 15 124.939 0.1 . 1 . . . . 179 LYS N . 15875 1 669 . 1 1 186 186 TRP C C 13 177.097 0.1 . 1 . . . . 180 TRP C . 15875 1 670 . 1 1 186 186 TRP CA C 13 55.717 0.1 . 1 . . . . 180 TRP CA . 15875 1 671 . 1 1 186 186 TRP CB C 13 30.569 0.1 . 1 . . . . 180 TRP CB . 15875 1 672 . 1 1 187 187 MET H H 1 9.628 0.01 . 1 . . . . 181 MET H . 15875 1 673 . 1 1 187 187 MET C C 13 175.230 0.1 . 1 . . . . 181 MET C . 15875 1 674 . 1 1 187 187 MET CA C 13 54.852 0.1 . 1 . . . . 181 MET CA . 15875 1 675 . 1 1 187 187 MET CB C 13 35.973 0.1 . 1 . . . . 181 MET CB . 15875 1 676 . 1 1 187 187 MET N N 15 122.899 0.1 . 1 . . . . 181 MET N . 15875 1 677 . 1 1 188 188 SER H H 1 8.952 0.01 . 1 . . . . 182 SER H . 15875 1 678 . 1 1 188 188 SER C C 13 173.732 0.1 . 1 . . . . 182 SER C . 15875 1 679 . 1 1 188 188 SER CA C 13 57.230 0.1 . 1 . . . . 182 SER CA . 15875 1 680 . 1 1 188 188 SER CB C 13 64.579 0.1 . 1 . . . . 182 SER CB . 15875 1 681 . 1 1 188 188 SER N N 15 116.827 0.1 . 1 . . . . 182 SER N . 15875 1 682 . 1 1 189 189 TYR H H 1 9.155 0.01 . 1 . . . . 183 TYR H . 15875 1 683 . 1 1 189 189 TYR C C 13 176.039 0.1 . 1 . . . . 183 TYR C . 15875 1 684 . 1 1 189 189 TYR CA C 13 61.985 0.1 . 1 . . . . 183 TYR CA . 15875 1 685 . 1 1 189 189 TYR CB C 13 37.775 0.1 . 1 . . . . 183 TYR CB . 15875 1 686 . 1 1 189 189 TYR N N 15 120.121 0.1 . 1 . . . . 183 TYR N . 15875 1 687 . 1 1 190 190 GLN H H 1 8.708 0.01 . 1 . . . . 184 GLN H . 15875 1 688 . 1 1 190 190 GLN C C 13 179.127 0.1 . 1 . . . . 184 GLN C . 15875 1 689 . 1 1 190 190 GLN CA C 13 58.959 0.1 . 1 . . . . 184 GLN CA . 15875 1 690 . 1 1 190 190 GLN CB C 13 26.967 0.1 . 1 . . . . 184 GLN CB . 15875 1 691 . 1 1 190 190 GLN N N 15 115.974 0.1 . 1 . . . . 184 GLN N . 15875 1 692 . 1 1 191 191 GLU H H 1 7.432 0.01 . 1 . . . . 185 GLU H . 15875 1 693 . 1 1 191 191 GLU C C 13 179.326 0.1 . 1 . . . . 185 GLU C . 15875 1 694 . 1 1 191 191 GLU CA C 13 58.239 0.1 . 1 . . . . 185 GLU CA . 15875 1 695 . 1 1 191 191 GLU CB C 13 29.705 0.1 . 1 . . . . 185 GLU CB . 15875 1 696 . 1 1 191 191 GLU N N 15 118.637 0.1 . 1 . . . . 185 GLU N . 15875 1 697 . 1 1 192 192 ALA H H 1 8.953 0.01 . 1 . . . . 186 ALA H . 15875 1 698 . 1 1 192 192 ALA C C 13 178.624 0.1 . 1 . . . . 186 ALA C . 15875 1 699 . 1 1 192 192 ALA CA C 13 53.987 0.1 . 1 . . . . 186 ALA CA . 15875 1 700 . 1 1 192 192 ALA CB C 13 17.599 0.1 . 1 . . . . 186 ALA CB . 15875 1 701 . 1 1 192 192 ALA N N 15 123.191 0.1 . 1 . . . . 186 ALA N . 15875 1 702 . 1 1 193 193 LYS H H 1 8.327 0.01 . 1 . . . . 187 LYS H . 15875 1 703 . 1 1 193 193 LYS C C 13 178.955 0.1 . 1 . . . . 187 LYS C . 15875 1 704 . 1 1 193 193 LYS CA C 13 59.319 0.1 . 1 . . . . 187 LYS CA . 15875 1 705 . 1 1 193 193 LYS CB C 13 30.497 0.1 . 1 . . . . 187 LYS CB . 15875 1 706 . 1 1 193 193 LYS N N 15 117.239 0.1 . 1 . . . . 187 LYS N . 15875 1 707 . 1 1 194 194 GLU H H 1 7.007 0.01 . 1 . . . . 188 GLU H . 15875 1 708 . 1 1 194 194 GLU C C 13 179.472 0.1 . 1 . . . . 188 GLU C . 15875 1 709 . 1 1 194 194 GLU CA C 13 58.239 0.1 . 1 . . . . 188 GLU CA . 15875 1 710 . 1 1 194 194 GLU CB C 13 28.480 0.1 . 1 . . . . 188 GLU CB . 15875 1 711 . 1 1 194 194 GLU N N 15 116.502 0.1 . 1 . . . . 188 GLU N . 15875 1 712 . 1 1 195 195 ALA H H 1 7.909 0.01 . 1 . . . . 189 ALA H . 15875 1 713 . 1 1 195 195 ALA C C 13 179.512 0.1 . 1 . . . . 189 ALA C . 15875 1 714 . 1 1 195 195 ALA CA C 13 54.131 0.1 . 1 . . . . 189 ALA CA . 15875 1 715 . 1 1 195 195 ALA CB C 13 17.816 0.1 . 1 . . . . 189 ALA CB . 15875 1 716 . 1 1 195 195 ALA N N 15 122.167 0.1 . 1 . . . . 189 ALA N . 15875 1 717 . 1 1 196 196 LEU H H 1 7.962 0.01 . 1 . . . . 190 LEU H . 15875 1 718 . 1 1 196 196 LEU C C 13 176.569 0.1 . 1 . . . . 190 LEU C . 15875 1 719 . 1 1 196 196 LEU CA C 13 53.987 0.1 . 1 . . . . 190 LEU CA . 15875 1 720 . 1 1 196 196 LEU CB C 13 41.594 0.1 . 1 . . . . 190 LEU CB . 15875 1 721 . 1 1 196 196 LEU N N 15 115.968 0.1 . 1 . . . . 190 LEU N . 15875 1 722 . 1 1 197 197 THR H H 1 7.042 0.01 . 1 . . . . 191 THR H . 15875 1 723 . 1 1 197 197 THR C C 13 174.620 0.1 . 1 . . . . 191 THR C . 15875 1 724 . 1 1 197 197 THR CA C 13 65.732 0.1 . 1 . . . . 191 THR CA . 15875 1 725 . 1 1 197 197 THR CB C 13 69.047 0.1 . 1 . . . . 191 THR CB . 15875 1 726 . 1 1 197 197 THR N N 15 113.810 0.1 . 1 . . . . 191 THR N . 15875 1 727 . 1 1 198 198 SER H H 1 8.459 0.01 . 1 . . . . 192 SER H . 15875 1 728 . 1 1 198 198 SER C C 13 174.633 0.1 . 1 . . . . 192 SER C . 15875 1 729 . 1 1 198 198 SER CA C 13 59.103 0.1 . 1 . . . . 192 SER CA . 15875 1 730 . 1 1 198 198 SER CB C 13 62.994 0.1 . 1 . . . . 192 SER CB . 15875 1 731 . 1 1 198 198 SER N N 15 113.495 0.1 . 1 . . . . 192 SER N . 15875 1 732 . 1 1 199 199 ARG H H 1 8.418 0.01 . 1 . . . . 193 ARG H . 15875 1 733 . 1 1 199 199 ARG C C 13 174.965 0.1 . 1 . . . . 193 ARG C . 15875 1 734 . 1 1 199 199 ARG CA C 13 50.889 0.1 . 1 . . . . 193 ARG CA . 15875 1 735 . 1 1 199 199 ARG CB C 13 27.615 0.1 . 1 . . . . 193 ARG CB . 15875 1 736 . 1 1 199 199 ARG N N 15 124.665 0.1 . 1 . . . . 193 ARG N . 15875 1 737 . 1 1 200 200 LYS H H 1 8.653 0.01 . 1 . . . . 194 LYS H . 15875 1 738 . 1 1 200 200 LYS C C 13 178.597 0.1 . 1 . . . . 194 LYS C . 15875 1 739 . 1 1 200 200 LYS CA C 13 58.887 0.1 . 1 . . . . 194 LYS CA . 15875 1 740 . 1 1 200 200 LYS CB C 13 31.218 0.1 . 1 . . . . 194 LYS CB . 15875 1 741 . 1 1 200 200 LYS N N 15 121.495 0.1 . 1 . . . . 194 LYS N . 15875 1 742 . 1 1 201 201 ASP H H 1 9.695 0.01 . 1 . . . . 195 ASP H . 15875 1 743 . 1 1 201 201 ASP C C 13 175.415 0.1 . 1 . . . . 195 ASP C . 15875 1 744 . 1 1 201 201 ASP CA C 13 55.717 0.1 . 1 . . . . 195 ASP CA . 15875 1 745 . 1 1 201 201 ASP CB C 13 37.775 0.1 . 1 . . . . 195 ASP CB . 15875 1 746 . 1 1 201 201 ASP N N 15 117.079 0.1 . 1 . . . . 195 ASP N . 15875 1 747 . 1 1 202 202 ILE H H 1 7.152 0.01 . 1 . . . . 196 ILE H . 15875 1 748 . 1 1 202 202 ILE C C 13 178.133 0.1 . 1 . . . . 196 ILE C . 15875 1 749 . 1 1 202 202 ILE CA C 13 63.859 0.1 . 1 . . . . 196 ILE CA . 15875 1 750 . 1 1 202 202 ILE CB C 13 36.622 0.1 . 1 . . . . 196 ILE CB . 15875 1 751 . 1 1 202 202 ILE N N 15 117.976 0.1 . 1 . . . . 196 ILE N . 15875 1 752 . 1 1 203 203 LEU H H 1 8.335 0.01 . 1 . . . . 197 LEU H . 15875 1 753 . 1 1 203 203 LEU C C 13 178.305 0.1 . 1 . . . . 197 LEU C . 15875 1 754 . 1 1 203 203 LEU CA C 13 57.374 0.1 . 1 . . . . 197 LEU CA . 15875 1 755 . 1 1 203 203 LEU CB C 13 40.945 0.1 . 1 . . . . 197 LEU CB . 15875 1 756 . 1 1 203 203 LEU N N 15 118.332 0.1 . 1 . . . . 197 LEU N . 15875 1 757 . 1 1 204 204 ALA H H 1 7.290 0.01 . 1 . . . . 198 ALA H . 15875 1 758 . 1 1 204 204 ALA C C 13 179.883 0.1 . 1 . . . . 198 ALA C . 15875 1 759 . 1 1 204 204 ALA CA C 13 54.348 0.1 . 1 . . . . 198 ALA CA . 15875 1 760 . 1 1 204 204 ALA CB C 13 16.879 0.1 . 1 . . . . 198 ALA CB . 15875 1 761 . 1 1 204 204 ALA N N 15 120.181 0.1 . 1 . . . . 198 ALA N . 15875 1 762 . 1 1 205 205 ALA H H 1 6.555 0.01 . 1 . . . . 199 ALA H . 15875 1 763 . 1 1 205 205 ALA C C 13 178.809 0.1 . 1 . . . . 199 ALA C . 15875 1 764 . 1 1 205 205 ALA CA C 13 54.348 0.1 . 1 . . . . 199 ALA CA . 15875 1 765 . 1 1 205 205 ALA CB C 13 15.870 0.1 . 1 . . . . 199 ALA CB . 15875 1 766 . 1 1 205 205 ALA N N 15 120.785 0.1 . 1 . . . . 199 ALA N . 15875 1 767 . 1 1 206 206 LEU H H 1 8.224 0.01 . 1 . . . . 200 LEU H . 15875 1 768 . 1 1 206 206 LEU C C 13 178.822 0.1 . 1 . . . . 200 LEU C . 15875 1 769 . 1 1 206 206 LEU CA C 13 57.662 0.1 . 1 . . . . 200 LEU CA . 15875 1 770 . 1 1 206 206 LEU CB C 13 41.522 0.1 . 1 . . . . 200 LEU CB . 15875 1 771 . 1 1 206 206 LEU N N 15 117.634 0.1 . 1 . . . . 200 LEU N . 15875 1 772 . 1 1 207 207 GLU H H 1 8.382 0.01 . 1 . . . . 201 GLU H . 15875 1 773 . 1 1 207 207 GLU C C 13 178.120 0.1 . 1 . . . . 201 GLU C . 15875 1 774 . 1 1 207 207 GLU CA C 13 58.166 0.1 . 1 . . . . 201 GLU CA . 15875 1 775 . 1 1 207 207 GLU CB C 13 28.624 0.1 . 1 . . . . 201 GLU CB . 15875 1 776 . 1 1 207 207 GLU N N 15 117.920 0.1 . 1 . . . . 201 GLU N . 15875 1 777 . 1 1 208 208 LYS H H 1 7.231 0.01 . 1 . . . . 202 LYS H . 15875 1 778 . 1 1 208 208 LYS C C 13 176.807 0.1 . 1 . . . . 202 LYS C . 15875 1 779 . 1 1 208 208 LYS CA C 13 55.789 0.1 . 1 . . . . 202 LYS CA . 15875 1 780 . 1 1 208 208 LYS CB C 13 32.371 0.1 . 1 . . . . 202 LYS CB . 15875 1 781 . 1 1 208 208 LYS N N 15 116.106 0.1 . 1 . . . . 202 LYS N . 15875 1 782 . 1 1 209 209 SER H H 1 7.615 0.01 . 1 . . . . 203 SER H . 15875 1 783 . 1 1 209 209 SER C C 13 173.109 0.1 . 1 . . . . 203 SER C . 15875 1 784 . 1 1 209 209 SER CA C 13 59.103 0.1 . 1 . . . . 203 SER CA . 15875 1 785 . 1 1 209 209 SER CB C 13 64.796 0.1 . 1 . . . . 203 SER CB . 15875 1 786 . 1 1 209 209 SER N N 15 116.333 0.1 . 1 . . . . 203 SER N . 15875 1 787 . 1 1 210 210 SER H H 1 9.295 0.01 . 1 . . . . 204 SER H . 15875 1 788 . 1 1 210 210 SER C C 13 172.791 0.1 . 1 . . . . 204 SER C . 15875 1 789 . 1 1 210 210 SER CA C 13 57.662 0.1 . 1 . . . . 204 SER CA . 15875 1 790 . 1 1 210 210 SER CB C 13 62.346 0.1 . 1 . . . . 204 SER CB . 15875 1 791 . 1 1 210 210 SER N N 15 114.379 0.1 . 1 . . . . 204 SER N . 15875 1 792 . 1 1 211 211 ILE H H 1 7.272 0.01 . 1 . . . . 205 ILE H . 15875 1 793 . 1 1 211 211 ILE C C 13 173.931 0.1 . 1 . . . . 205 ILE C . 15875 1 794 . 1 1 211 211 ILE CA C 13 60.616 0.1 . 1 . . . . 205 ILE CA . 15875 1 795 . 1 1 211 211 ILE CB C 13 37.270 0.1 . 1 . . . . 205 ILE CB . 15875 1 796 . 1 1 211 211 ILE N N 15 120.838 0.1 . 1 . . . . 205 ILE N . 15875 1 797 . 1 1 212 212 ILE H H 1 8.311 0.01 . 1 . . . . 206 ILE H . 15875 1 798 . 1 1 212 212 ILE C C 13 176.728 0.1 . 1 . . . . 206 ILE C . 15875 1 799 . 1 1 212 212 ILE CA C 13 61.841 0.1 . 1 . . . . 206 ILE CA . 15875 1 800 . 1 1 212 212 ILE CB C 13 37.126 0.1 . 1 . . . . 206 ILE CB . 15875 1 801 . 1 1 212 212 ILE N N 15 127.503 0.1 . 1 . . . . 206 ILE N . 15875 1 802 . 1 1 213 213 LYS H H 1 8.410 0.01 . 1 . . . . 207 LYS H . 15875 1 803 . 1 1 213 213 LYS C C 13 176.410 0.1 . 1 . . . . 207 LYS C . 15875 1 804 . 1 1 213 213 LYS CA C 13 55.861 0.1 . 1 . . . . 207 LYS CA . 15875 1 805 . 1 1 213 213 LYS CB C 13 31.866 0.1 . 1 . . . . 207 LYS CB . 15875 1 806 . 1 1 213 213 LYS N N 15 128.040 0.1 . 1 . . . . 207 LYS N . 15875 1 807 . 1 1 214 214 GLU H H 1 7.397 0.01 . 1 . . . . 208 GLU H . 15875 1 808 . 1 1 214 214 GLU C C 13 175.800 0.1 . 1 . . . . 208 GLU C . 15875 1 809 . 1 1 214 214 GLU CA C 13 55.686 0.1 . 1 . . . . 208 GLU CA . 15875 1 810 . 1 1 214 214 GLU CB C 13 30.209 0.1 . 1 . . . . 208 GLU CB . 15875 1 811 . 1 1 214 214 GLU N N 15 119.315 0.1 . 1 . . . . 208 GLU N . 15875 1 812 . 1 1 215 215 GLU H H 1 8.567 0.01 . 1 . . . . 209 GLU H . 15875 1 813 . 1 1 215 215 GLU C C 13 175.283 0.1 . 1 . . . . 209 GLU C . 15875 1 814 . 1 1 215 215 GLU CA C 13 56.149 0.1 . 1 . . . . 209 GLU CA . 15875 1 815 . 1 1 215 215 GLU CB C 13 29.921 0.1 . 1 . . . . 209 GLU CB . 15875 1 816 . 1 1 215 215 GLU N N 15 122.176 0.1 . 1 . . . . 209 GLU N . 15875 1 817 . 1 1 216 216 ASN H H 1 8.028 0.01 . 1 . . . . 210 ASN H . 15875 1 818 . 1 1 216 216 ASN C C 13 179.353 0.1 . 1 . . . . 210 ASN C . 15875 1 819 . 1 1 216 216 ASN CA C 13 54.420 0.1 . 1 . . . . 210 ASN CA . 15875 1 820 . 1 1 216 216 ASN CB C 13 40.153 0.1 . 1 . . . . 210 ASN CB . 15875 1 821 . 1 1 216 216 ASN N N 15 124.308 0.1 . 1 . . . . 210 ASN N . 15875 1 stop_ save_