data_27662 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; amide chemical shifts of human PCNA bound to RecQ5 peptide ; _BMRB_accession_number 27662 _BMRB_flat_file_name bmr27662.str _Entry_type original _Submission_date 2018-10-25 _Accession_date 2018-10-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'De Biasio' Alfredo . . 2 Blanco Francisco J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 218 "15N chemical shifts" 218 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-03-21 update BMRB 'update entry citation' 2019-02-05 original author 'original release' stop_ _Original_release_date 2018-10-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The p12 subunit of human polymerase delta uses an atypical PIP box for molecular recognition of proliferating cell nuclear antigen (PCNA) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30655288 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gonzalez-Magana Amaia . . 2 'Ibanez de Opakua' Alain . . 3 Romano-Moreno Miguel . . 4 Murciano-Calles Javier . . 5 Merino Nekane . . 6 Luque Irene . . 7 Rojas Adriana L. . 8 Onesti Silvia . . 9 Blanco Francisco J. . 10 'De Biasio' Alfredo . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 294 _Journal_issue 11 _Journal_ISSN 1083-351X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3947 _Page_last 3956 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human PCNA bound to RecQ5 peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human PCNA' $human_PCNA 'RecQ5 peptide' $human_RecQ5_peptide_spanning_residues_952-979 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_human_PCNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common human_PCNA _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 264 _Mol_residue_sequence ; GPHMFEARLVQGSILKKVLE ALKDLINEACWDISSSGVNL QSMDSSHVSLVQLTLRSEGF DTYRCDRNLAMGVNLTSMSK ILKCAGNEDIITLRAEDNAD TLALVFEAPNQEKVSDYEMK LMDLDVEQLGIPEQEYSCVV KMPSGEFARICRDLSHIGDA VVISCAKDGVKFSASGELGN GNIKLSQTSNVDKEEEAVTI EMNEPVQLTFALRYLNFFTK ATPLSSTVTLSMSADVPLVV EYKIADMGHLKYYLAPKIED EEGS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 PRO 3 0 HIS 4 1 MET 5 2 PHE 6 3 GLU 7 4 ALA 8 5 ARG 9 6 LEU 10 7 VAL 11 8 GLN 12 9 GLY 13 10 SER 14 11 ILE 15 12 LEU 16 13 LYS 17 14 LYS 18 15 VAL 19 16 LEU 20 17 GLU 21 18 ALA 22 19 LEU 23 20 LYS 24 21 ASP 25 22 LEU 26 23 ILE 27 24 ASN 28 25 GLU 29 26 ALA 30 27 CYS 31 28 TRP 32 29 ASP 33 30 ILE 34 31 SER 35 32 SER 36 33 SER 37 34 GLY 38 35 VAL 39 36 ASN 40 37 LEU 41 38 GLN 42 39 SER 43 40 MET 44 41 ASP 45 42 SER 46 43 SER 47 44 HIS 48 45 VAL 49 46 SER 50 47 LEU 51 48 VAL 52 49 GLN 53 50 LEU 54 51 THR 55 52 LEU 56 53 ARG 57 54 SER 58 55 GLU 59 56 GLY 60 57 PHE 61 58 ASP 62 59 THR 63 60 TYR 64 61 ARG 65 62 CYS 66 63 ASP 67 64 ARG 68 65 ASN 69 66 LEU 70 67 ALA 71 68 MET 72 69 GLY 73 70 VAL 74 71 ASN 75 72 LEU 76 73 THR 77 74 SER 78 75 MET 79 76 SER 80 77 LYS 81 78 ILE 82 79 LEU 83 80 LYS 84 81 CYS 85 82 ALA 86 83 GLY 87 84 ASN 88 85 GLU 89 86 ASP 90 87 ILE 91 88 ILE 92 89 THR 93 90 LEU 94 91 ARG 95 92 ALA 96 93 GLU 97 94 ASP 98 95 ASN 99 96 ALA 100 97 ASP 101 98 THR 102 99 LEU 103 100 ALA 104 101 LEU 105 102 VAL 106 103 PHE 107 104 GLU 108 105 ALA 109 106 PRO 110 107 ASN 111 108 GLN 112 109 GLU 113 110 LYS 114 111 VAL 115 112 SER 116 113 ASP 117 114 TYR 118 115 GLU 119 116 MET 120 117 LYS 121 118 LEU 122 119 MET 123 120 ASP 124 121 LEU 125 122 ASP 126 123 VAL 127 124 GLU 128 125 GLN 129 126 LEU 130 127 GLY 131 128 ILE 132 129 PRO 133 130 GLU 134 131 GLN 135 132 GLU 136 133 TYR 137 134 SER 138 135 CYS 139 136 VAL 140 137 VAL 141 138 LYS 142 139 MET 143 140 PRO 144 141 SER 145 142 GLY 146 143 GLU 147 144 PHE 148 145 ALA 149 146 ARG 150 147 ILE 151 148 CYS 152 149 ARG 153 150 ASP 154 151 LEU 155 152 SER 156 153 HIS 157 154 ILE 158 155 GLY 159 156 ASP 160 157 ALA 161 158 VAL 162 159 VAL 163 160 ILE 164 161 SER 165 162 CYS 166 163 ALA 167 164 LYS 168 165 ASP 169 166 GLY 170 167 VAL 171 168 LYS 172 169 PHE 173 170 SER 174 171 ALA 175 172 SER 176 173 GLY 177 174 GLU 178 175 LEU 179 176 GLY 180 177 ASN 181 178 GLY 182 179 ASN 183 180 ILE 184 181 LYS 185 182 LEU 186 183 SER 187 184 GLN 188 185 THR 189 186 SER 190 187 ASN 191 188 VAL 192 189 ASP 193 190 LYS 194 191 GLU 195 192 GLU 196 193 GLU 197 194 ALA 198 195 VAL 199 196 THR 200 197 ILE 201 198 GLU 202 199 MET 203 200 ASN 204 201 GLU 205 202 PRO 206 203 VAL 207 204 GLN 208 205 LEU 209 206 THR 210 207 PHE 211 208 ALA 212 209 LEU 213 210 ARG 214 211 TYR 215 212 LEU 216 213 ASN 217 214 PHE 218 215 PHE 219 216 THR 220 217 LYS 221 218 ALA 222 219 THR 223 220 PRO 224 221 LEU 225 222 SER 226 223 SER 227 224 THR 228 225 VAL 229 226 THR 230 227 LEU 231 228 SER 232 229 MET 233 230 SER 234 231 ALA 235 232 ASP 236 233 VAL 237 234 PRO 238 235 LEU 239 236 VAL 240 237 VAL 241 238 GLU 242 239 TYR 243 240 LYS 244 241 ILE 245 242 ALA 246 243 ASP 247 244 MET 248 245 GLY 249 246 HIS 250 247 LEU 251 248 LYS 252 249 TYR 253 250 TYR 254 251 LEU 255 252 ALA 256 253 PRO 257 254 LYS 258 255 ILE 259 256 GLU 260 257 ASP 261 258 GLU 262 259 GLU 263 260 GLY 264 261 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_human_RecQ5_peptide_spanning_residues_952-979 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common human_RecQ5_peptide_spanning_residues_952-979 _Molecular_mass . _Mol_thiol_state 'not reported' _Details . _Residue_count 28 _Mol_residue_sequence ; KTSPGRSVKEEAQNLIRHFF HGRARCES ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 THR 3 SER 4 PRO 5 GLY 6 ARG 7 SER 8 VAL 9 LYS 10 GLU 11 GLU 12 ALA 13 GLN 14 ASN 15 LEU 16 ILE 17 ARG 18 HIS 19 PHE 20 PHE 21 HIS 22 GLY 23 ARG 24 ALA 25 ARG 26 CYS 27 GLU 28 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $human_PCNA Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $human_PCNA 'recombinant technology' . Escherichia coli . pET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '5 mm shigemi tube' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $human_PCNA 33 uM '[U-13C; U-15N; U-2H]' 'human RecQ5 peptide spanning residues 952-979' 1208 uM 'natural abundance' D2O 5 v/v [U-2H] DSS 20 uM 'natural abundance' DTT 1 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.01 '% w/v' 'natural abundance' 'sodium chloride' 140 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 7.0 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 internal indirect . . . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'human PCNA' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 4 MET H H 8.699 0.01 1 2 1 4 MET N N 122.045 0.05 1 3 2 5 PHE H H 8.119 0.01 1 4 2 5 PHE N N 120.450 0.05 1 5 3 6 GLU H H 8.200 0.01 1 6 3 6 GLU N N 126.776 0.05 1 7 4 7 ALA H H 8.455 0.01 1 8 4 7 ALA N N 128.507 0.05 1 9 5 8 ARG H H 8.697 0.01 1 10 5 8 ARG N N 124.325 0.05 1 11 6 9 LEU H H 9.753 0.01 1 12 6 9 LEU N N 130.066 0.05 1 13 7 10 VAL H H 8.988 0.01 1 14 7 10 VAL N N 126.256 0.05 1 15 8 11 GLN H H 8.029 0.01 1 16 8 11 GLN N N 118.616 0.05 1 17 9 12 GLY H H 8.153 0.01 1 18 9 12 GLY N N 111.103 0.05 1 19 10 13 SER H H 8.477 0.01 1 20 10 13 SER N N 114.066 0.05 1 21 11 14 ILE H H 7.889 0.01 1 22 11 14 ILE N N 121.471 0.05 1 23 12 15 LEU H H 7.319 0.01 1 24 12 15 LEU N N 117.198 0.05 1 25 13 16 LYS H H 7.181 0.01 1 26 13 16 LYS N N 116.343 0.05 1 27 14 17 LYS H H 8.025 0.01 1 28 14 17 LYS N N 117.069 0.05 1 29 15 18 VAL H H 8.392 0.01 1 30 15 18 VAL N N 120.244 0.05 1 31 16 19 LEU H H 7.866 0.01 1 32 16 19 LEU N N 120.113 0.05 1 33 17 20 GLU H H 7.895 0.01 1 34 17 20 GLU N N 117.744 0.05 1 35 18 21 ALA H H 7.498 0.01 1 36 18 21 ALA N N 118.686 0.05 1 37 19 22 LEU H H 7.644 0.01 1 38 19 22 LEU N N 118.056 0.05 1 39 21 24 ASP H H 8.729 0.01 1 40 21 24 ASP N N 119.013 0.05 1 41 23 26 ILE H H 7.910 0.01 1 42 23 26 ILE N N 115.764 0.05 1 43 24 27 ASN H H 8.566 0.01 1 44 24 27 ASN N N 120.222 0.05 1 45 25 28 GLU H H 7.758 0.01 1 46 25 28 GLU N N 116.749 0.05 1 47 26 29 ALA H H 8.726 0.01 1 48 26 29 ALA N N 120.986 0.05 1 49 27 30 CYS H H 8.986 0.01 1 50 27 30 CYS N N 120.071 0.05 1 51 28 31 TRP H H 9.569 0.01 1 52 28 31 TRP N N 129.331 0.05 1 53 29 32 ASP H H 9.212 0.01 1 54 29 32 ASP N N 125.498 0.05 1 55 30 33 ILE H H 9.030 0.01 1 56 30 33 ILE N N 127.932 0.05 1 57 31 34 SER H H 8.867 0.01 1 58 31 34 SER N N 120.962 0.05 1 59 34 37 GLY H H 7.693 0.01 1 60 34 37 GLY N N 111.071 0.05 1 61 35 38 VAL H H 8.909 0.01 1 62 35 38 VAL N N 119.913 0.05 1 63 36 39 ASN H H 9.041 0.01 1 64 36 39 ASN N N 124.669 0.05 1 65 38 41 GLN H H 8.948 0.01 1 66 38 41 GLN N N 125.821 0.05 1 67 39 42 SER H H 8.450 0.01 1 68 39 42 SER N N 116.674 0.05 1 69 40 43 MET H H 8.893 0.01 1 70 40 43 MET N N 124.131 0.05 1 71 41 44 ASP H H 8.561 0.01 1 72 41 44 ASP N N 120.709 0.05 1 73 42 45 SER H H 9.204 0.01 1 74 42 45 SER N N 116.807 0.05 1 75 43 46 SER H H 8.352 0.01 1 76 43 46 SER N N 115.874 0.05 1 77 48 51 VAL H H 8.925 0.01 1 78 48 51 VAL N N 122.517 0.05 1 79 50 53 LEU H H 9.393 0.01 1 80 50 53 LEU N N 129.308 0.05 1 81 51 54 THR H H 8.456 0.01 1 82 51 54 THR N N 122.434 0.05 1 83 52 55 LEU H H 8.820 0.01 1 84 52 55 LEU N N 124.585 0.05 1 85 53 56 ARG H H 9.128 0.01 1 86 53 56 ARG N N 123.438 0.05 1 87 54 57 SER H H 8.156 0.01 1 88 54 57 SER N N 118.128 0.05 1 89 56 59 GLY H H 8.151 0.01 1 90 56 59 GLY N N 105.410 0.05 1 91 57 60 PHE H H 7.658 0.01 1 92 57 60 PHE N N 118.164 0.05 1 93 58 61 ASP H H 8.788 0.01 1 94 58 61 ASP N N 123.830 0.05 1 95 59 62 THR H H 7.748 0.01 1 96 59 62 THR N N 108.465 0.05 1 97 60 63 TYR H H 8.727 0.01 1 98 60 63 TYR N N 125.418 0.05 1 99 61 64 ARG H H 8.511 0.01 1 100 61 64 ARG N N 130.387 0.05 1 101 62 65 CYS H H 9.040 0.01 1 102 62 65 CYS N N 125.635 0.05 1 103 63 66 ASP H H 8.866 0.01 1 104 63 66 ASP N N 128.247 0.05 1 105 64 67 ARG H H 7.791 0.01 1 106 64 67 ARG N N 116.634 0.05 1 107 65 68 ASN H H 8.255 0.01 1 108 65 68 ASN N N 119.199 0.05 1 109 66 69 LEU H H 8.782 0.01 1 110 66 69 LEU N N 122.769 0.05 1 111 67 70 ALA H H 8.365 0.01 1 112 67 70 ALA N N 126.444 0.05 1 113 68 71 MET H H 8.790 0.01 1 114 68 71 MET N N 121.352 0.05 1 115 69 72 GLY H H 9.355 0.01 1 116 69 72 GLY N N 115.719 0.05 1 117 70 73 VAL H H 8.759 0.01 1 118 70 73 VAL N N 123.151 0.05 1 119 71 74 ASN H H 8.640 0.01 1 120 71 74 ASN N N 123.118 0.05 1 121 72 75 LEU H H 8.905 0.01 1 122 72 75 LEU N N 127.411 0.05 1 123 73 76 THR H H 8.326 0.01 1 124 73 76 THR N N 118.805 0.05 1 125 75 78 MET H H 8.261 0.01 1 126 75 78 MET N N 119.745 0.05 1 127 76 79 SER H H 8.456 0.01 1 128 76 79 SER N N 113.126 0.05 1 129 77 80 LYS H H 7.577 0.01 1 130 77 80 LYS N N 120.745 0.05 1 131 78 81 ILE H H 7.306 0.01 1 132 78 81 ILE N N 116.387 0.05 1 133 79 82 LEU H H 8.173 0.01 1 134 79 82 LEU N N 118.856 0.05 1 135 80 83 LYS H H 7.611 0.01 1 136 80 83 LYS N N 118.848 0.05 1 137 81 84 CYS H H 7.680 0.01 1 138 81 84 CYS N N 115.639 0.05 1 139 82 85 ALA H H 7.148 0.01 1 140 82 85 ALA N N 123.727 0.05 1 141 83 86 GLY H H 9.091 0.01 1 142 83 86 GLY N N 112.593 0.05 1 143 85 88 GLU H H 8.713 0.01 1 144 85 88 GLU N N 116.485 0.05 1 145 86 89 ASP H H 6.967 0.01 1 146 86 89 ASP N N 120.882 0.05 1 147 87 90 ILE H H 8.608 0.01 1 148 87 90 ILE N N 121.507 0.05 1 149 88 91 ILE H H 8.705 0.01 1 150 88 91 ILE N N 127.883 0.05 1 151 89 92 THR H H 9.542 0.01 1 152 89 92 THR N N 124.690 0.05 1 153 90 93 LEU H H 8.997 0.01 1 154 90 93 LEU N N 125.397 0.05 1 155 92 95 ALA H H 8.845 0.01 1 156 92 95 ALA N N 123.564 0.05 1 157 93 96 GLU H H 8.898 0.01 1 158 93 96 GLU N N 121.288 0.05 1 159 94 97 ASP H H 8.591 0.01 1 160 94 97 ASP N N 120.071 0.05 1 161 95 98 ASN H H 8.518 0.01 1 162 95 98 ASN N N 117.978 0.05 1 163 96 99 ALA H H 7.710 0.01 1 164 96 99 ALA N N 120.210 0.05 1 165 97 100 ASP H H 8.507 0.01 1 166 97 100 ASP N N 117.520 0.05 1 167 98 101 THR H H 7.408 0.01 1 168 98 101 THR N N 109.221 0.05 1 169 99 102 LEU H H 8.723 0.01 1 170 99 102 LEU N N 123.114 0.05 1 171 100 103 ALA H H 8.964 0.01 1 172 100 103 ALA N N 128.848 0.05 1 173 101 104 LEU H H 8.878 0.01 1 174 101 104 LEU N N 120.650 0.05 1 175 102 105 VAL H H 9.077 0.01 1 176 102 105 VAL N N 122.385 0.05 1 177 103 106 PHE H H 9.405 0.01 1 178 103 106 PHE N N 126.705 0.05 1 179 104 107 GLU H H 9.578 0.01 1 180 104 107 GLU N N 126.345 0.05 1 181 105 108 ALA H H 7.864 0.01 1 182 105 108 ALA N N 127.720 0.05 1 183 107 110 ASN H H 8.324 0.01 1 184 107 110 ASN N N 113.876 0.05 1 185 109 112 GLU H H 8.779 0.01 1 186 109 112 GLU N N 120.061 0.05 1 187 110 113 LYS H H 7.426 0.01 1 188 110 113 LYS N N 121.355 0.05 1 189 111 114 VAL H H 8.595 0.01 1 190 111 114 VAL N N 125.666 0.05 1 191 112 115 SER H H 9.012 0.01 1 192 112 115 SER N N 123.120 0.05 1 193 113 116 ASP H H 9.187 0.01 1 194 113 116 ASP N N 123.206 0.05 1 195 114 117 TYR H H 9.228 0.01 1 196 114 117 TYR N N 120.813 0.05 1 197 115 118 GLU H H 8.890 0.01 1 198 115 118 GLU N N 121.831 0.05 1 199 116 119 MET H H 9.105 0.01 1 200 116 119 MET N N 122.611 0.05 1 201 117 120 LYS H H 8.277 0.01 1 202 117 120 LYS N N 124.420 0.05 1 203 118 121 LEU H H 8.017 0.01 1 204 118 121 LEU N N 123.078 0.05 1 205 119 122 MET H H 8.630 0.01 1 206 119 122 MET N N 117.712 0.05 1 207 121 124 LEU H H 8.085 0.01 1 208 121 124 LEU N N 124.467 0.05 1 209 122 125 ASP H H 8.344 0.01 1 210 122 125 ASP N N 122.213 0.05 1 211 123 126 VAL H H 8.156 0.01 1 212 123 126 VAL N N 120.473 0.05 1 213 124 127 GLU H H 8.502 0.01 1 214 124 127 GLU N N 126.134 0.05 1 215 125 128 GLN H H 8.604 0.01 1 216 125 128 GLN N N 123.707 0.05 1 217 126 129 LEU H H 8.310 0.01 1 218 126 129 LEU N N 125.392 0.05 1 219 127 130 GLY H H 8.428 0.01 1 220 127 130 GLY N N 110.110 0.05 1 221 128 131 ILE H H 8.143 0.01 1 222 128 131 ILE N N 124.373 0.05 1 223 130 133 GLU H H 8.357 0.01 1 224 130 133 GLU N N 121.513 0.05 1 225 131 134 GLN H H 7.925 0.01 1 226 131 134 GLN N N 120.932 0.05 1 227 132 135 GLU H H 8.027 0.01 1 228 132 135 GLU N N 121.102 0.05 1 229 135 138 CYS H H 8.629 0.01 1 230 135 138 CYS N N 118.549 0.05 1 231 136 139 VAL H H 8.803 0.01 1 232 136 139 VAL N N 125.414 0.05 1 233 137 140 VAL H H 9.536 0.01 1 234 137 140 VAL N N 129.253 0.05 1 235 138 141 LYS H H 8.954 0.01 1 236 138 141 LYS N N 128.557 0.05 1 237 139 142 MET H H 8.705 0.01 1 238 139 142 MET N N 118.772 0.05 1 239 141 144 SER H H 9.084 0.01 1 240 141 144 SER N N 124.244 0.05 1 241 142 145 GLY H H 9.462 0.01 1 242 142 145 GLY N N 112.709 0.05 1 243 143 146 GLU H H 7.014 0.01 1 244 143 146 GLU N N 121.426 0.05 1 245 144 147 PHE H H 7.516 0.01 1 246 144 147 PHE N N 119.001 0.05 1 247 145 148 ALA H H 7.945 0.01 1 248 145 148 ALA N N 118.055 0.05 1 249 147 150 ILE H H 8.003 0.01 1 250 147 150 ILE N N 119.525 0.05 1 251 148 151 CYS H H 7.251 0.01 1 252 148 151 CYS N N 114.015 0.05 1 253 149 152 ARG H H 7.659 0.01 1 254 149 152 ARG N N 120.904 0.05 1 255 150 153 ASP H H 9.052 0.01 1 256 150 153 ASP N N 123.630 0.05 1 257 151 154 LEU H H 8.220 0.01 1 258 151 154 LEU N N 114.883 0.05 1 259 152 155 SER H H 7.397 0.01 1 260 152 155 SER N N 114.455 0.05 1 261 153 156 HIS H H 7.592 0.01 1 262 153 156 HIS N N 118.302 0.05 1 263 154 157 ILE H H 7.725 0.01 1 264 154 157 ILE N N 116.759 0.05 1 265 155 158 GLY H H 7.745 0.01 1 266 155 158 GLY N N 103.766 0.05 1 267 156 159 ASP H H 8.253 0.01 1 268 156 159 ASP N N 113.637 0.05 1 269 157 160 ALA H H 8.085 0.01 1 270 157 160 ALA N N 125.057 0.05 1 271 158 161 VAL H H 9.444 0.01 1 272 158 161 VAL N N 119.880 0.05 1 273 159 162 VAL H H 9.572 0.01 1 274 159 162 VAL N N 128.635 0.05 1 275 161 164 SER H H 9.058 0.01 1 276 161 164 SER N N 120.153 0.05 1 277 162 165 CYS H H 8.765 0.01 1 278 162 165 CYS N N 124.212 0.05 1 279 163 166 ALA H H 8.507 0.01 1 280 163 166 ALA N N 129.128 0.05 1 281 165 168 ASP H H 8.225 0.01 1 282 165 168 ASP N N 111.691 0.05 1 283 166 169 GLY H H 7.592 0.01 1 284 166 169 GLY N N 107.829 0.05 1 285 168 171 LYS H H 8.842 0.01 1 286 168 171 LYS N N 128.108 0.05 1 287 169 172 PHE H H 9.432 0.01 1 288 169 172 PHE N N 123.593 0.05 1 289 170 173 SER H H 9.224 0.01 1 290 170 173 SER N N 117.919 0.05 1 291 171 174 ALA H H 9.039 0.01 1 292 171 174 ALA N N 123.355 0.05 1 293 172 175 SER H H 8.951 0.01 1 294 172 175 SER N N 114.949 0.05 1 295 173 176 GLY H H 8.519 0.01 1 296 173 176 GLY N N 111.256 0.05 1 297 175 178 LEU H H 8.831 0.01 1 298 175 178 LEU N N 115.555 0.05 1 299 176 179 GLY H H 7.511 0.01 1 300 176 179 GLY N N 105.277 0.05 1 301 177 180 ASN H H 8.561 0.01 1 302 177 180 ASN N N 116.339 0.05 1 303 178 181 GLY H H 8.887 0.01 1 304 178 181 GLY N N 106.252 0.05 1 305 179 182 ASN H H 8.496 0.01 1 306 179 182 ASN N N 119.138 0.05 1 307 180 183 ILE H H 9.641 0.01 1 308 180 183 ILE N N 123.556 0.05 1 309 181 184 LYS H H 9.074 0.01 1 310 181 184 LYS N N 127.598 0.05 1 311 182 185 LEU H H 9.177 0.01 1 312 182 185 LEU N N 126.750 0.05 1 313 183 186 SER H H 8.072 0.01 1 314 183 186 SER N N 117.651 0.05 1 315 184 187 GLN H H 8.221 0.01 1 316 184 187 GLN N N 120.927 0.05 1 317 185 188 THR H H 8.882 0.01 1 318 185 188 THR N N 119.786 0.05 1 319 188 191 VAL H H 8.082 0.01 1 320 188 191 VAL N N 119.000 0.05 1 321 189 192 ASP H H 8.476 0.01 1 322 189 192 ASP N N 122.920 0.05 1 323 190 193 LYS H H 7.751 0.01 1 324 190 193 LYS N N 119.186 0.05 1 325 191 194 GLU H H 8.757 0.01 1 326 191 194 GLU N N 124.819 0.05 1 327 192 195 GLU H H 9.164 0.01 1 328 192 195 GLU N N 116.818 0.05 1 329 193 196 GLU H H 7.846 0.01 1 330 193 196 GLU N N 117.646 0.05 1 331 194 197 ALA H H 7.420 0.01 1 332 194 197 ALA N N 122.387 0.05 1 333 195 198 VAL H H 8.504 0.01 1 334 195 198 VAL N N 121.335 0.05 1 335 196 199 THR H H 9.103 0.01 1 336 196 199 THR N N 119.743 0.05 1 337 197 200 ILE H H 8.656 0.01 1 338 197 200 ILE N N 124.478 0.05 1 339 198 201 GLU H H 8.990 0.01 1 340 198 201 GLU N N 129.352 0.05 1 341 199 202 MET H H 8.862 0.01 1 342 199 202 MET N N 125.016 0.05 1 343 200 203 ASN H H 9.069 0.01 1 344 200 203 ASN N N 122.802 0.05 1 345 201 204 GLU H H 7.683 0.01 1 346 201 204 GLU N N 118.854 0.05 1 347 203 206 VAL H H 7.326 0.01 1 348 203 206 VAL N N 115.379 0.05 1 349 204 207 GLN H H 8.307 0.01 1 350 204 207 GLN N N 124.404 0.05 1 351 205 208 LEU H H 8.693 0.01 1 352 205 208 LEU N N 127.203 0.05 1 353 206 209 THR H H 8.067 0.01 1 354 206 209 THR N N 116.393 0.05 1 355 207 210 PHE H H 9.251 0.01 1 356 207 210 PHE N N 120.379 0.05 1 357 208 211 ALA H H 8.987 0.01 1 358 208 211 ALA N N 123.615 0.05 1 359 211 214 TYR H H 6.374 0.01 1 360 211 214 TYR N N 112.648 0.05 1 361 212 215 LEU H H 6.630 0.01 1 362 212 215 LEU N N 116.917 0.05 1 363 213 216 ASN H H 7.707 0.01 1 364 213 216 ASN N N 111.333 0.05 1 365 214 217 PHE H H 7.191 0.01 1 366 214 217 PHE N N 118.137 0.05 1 367 215 218 PHE H H 7.928 0.01 1 368 215 218 PHE N N 122.384 0.05 1 369 216 219 THR H H 7.860 0.01 1 370 216 219 THR N N 102.494 0.05 1 371 217 220 LYS H H 7.914 0.01 1 372 217 220 LYS N N 125.838 0.05 1 373 218 221 ALA H H 8.067 0.01 1 374 218 221 ALA N N 119.750 0.05 1 375 221 224 LEU H H 8.448 0.01 1 376 221 224 LEU N N 115.712 0.05 1 377 222 225 SER H H 7.520 0.01 1 378 222 225 SER N N 108.562 0.05 1 379 224 227 THR H H 8.066 0.01 1 380 224 227 THR N N 114.783 0.05 1 381 225 228 VAL H H 9.209 0.01 1 382 225 228 VAL N N 123.255 0.05 1 383 227 230 LEU H H 9.585 0.01 1 384 227 230 LEU N N 127.884 0.05 1 385 230 233 SER H H 9.298 0.01 1 386 230 233 SER N N 117.706 0.05 1 387 231 234 ALA H H 8.954 0.01 1 388 231 234 ALA N N 123.073 0.05 1 389 232 235 ASP H H 8.194 0.01 1 390 232 235 ASP N N 113.022 0.05 1 391 233 236 VAL H H 7.393 0.01 1 392 233 236 VAL N N 112.477 0.05 1 393 235 238 LEU H H 8.399 0.01 1 394 235 238 LEU N N 126.480 0.05 1 395 236 239 VAL H H 8.103 0.01 1 396 236 239 VAL N N 122.585 0.05 1 397 237 240 VAL H H 9.199 0.01 1 398 237 240 VAL N N 129.105 0.05 1 399 238 241 GLU H H 8.728 0.01 1 400 238 241 GLU N N 125.820 0.05 1 401 239 242 TYR H H 9.246 0.01 1 402 239 242 TYR N N 126.913 0.05 1 403 240 243 LYS H H 8.662 0.01 1 404 240 243 LYS N N 124.135 0.05 1 405 241 244 ILE H H 8.021 0.01 1 406 241 244 ILE N N 123.351 0.05 1 407 242 245 ALA H H 8.947 0.01 1 408 242 245 ALA N N 130.203 0.05 1 409 243 246 ASP H H 8.471 0.01 1 410 243 246 ASP N N 120.665 0.05 1 411 244 247 MET H H 8.737 0.01 1 412 244 247 MET N N 115.895 0.05 1 413 247 250 LEU H H 9.038 0.01 1 414 247 250 LEU N N 122.655 0.05 1 415 249 252 TYR H H 8.834 0.01 1 416 249 252 TYR N N 119.800 0.05 1 417 250 253 TYR H H 9.476 0.01 1 418 250 253 TYR N N 118.576 0.05 1 419 251 254 LEU H H 9.137 0.01 1 420 251 254 LEU N N 123.491 0.05 1 421 252 255 ALA H H 8.760 0.01 1 422 252 255 ALA N N 130.400 0.05 1 423 254 257 LYS H H 8.427 0.01 1 424 254 257 LYS N N 121.702 0.05 1 425 255 258 ILE H H 8.310 0.01 1 426 255 258 ILE N N 125.392 0.05 1 427 256 259 GLU H H 8.563 0.01 1 428 256 259 GLU N N 125.672 0.05 1 429 257 260 ASP H H 8.377 0.01 1 430 257 260 ASP N N 121.690 0.05 1 431 258 261 GLU H H 8.409 0.01 1 432 258 261 GLU N N 121.245 0.05 1 433 260 263 GLY H H 8.413 0.01 1 434 260 263 GLY N N 110.378 0.05 1 435 261 264 SER H H 7.871 0.01 1 436 261 264 SER N N 121.186 0.05 1 stop_ save_