data_27661 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Amide chemical shifts of human PCNA bound to p12 peptide ; _BMRB_accession_number 27661 _BMRB_flat_file_name bmr27661.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" 202 "15N chemical shifts" 202 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-03-21 update BMRB 'update entry citation' 2019-01-29 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 'PCNA-p12 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PCNA $human_PCNA 'p12 peptide' $p12_peptide stop_ _System_molecular_weight 95000 _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' loop_ _Biological_function 'DNA sliding clamp that tethers DNA polymerases to the genomic template during replication' stop_ _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_p12_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'p12 peptide' _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 19 _Mol_residue_sequence ; MGRKRLITDSYPVVKRREG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLY 3 3 ARG 4 4 LYS 5 5 ARG 6 6 LEU 7 7 ILE 8 8 THR 9 9 ASP 10 10 SER 11 11 TYR 12 12 PRO 13 13 VAL 14 14 VAL 15 15 LYS 16 16 ARG 17 17 ARG 18 18 GLU 19 19 GLY 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 . pET28 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 45.4 uM '[U-13C; U-15N; U-2H]' 'human POLD4 (p12) fragment spanning residues 1-19' 454 uM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' D2O 5 '% v/v' [U-2H] 'sodium azide' 0.01 '% w/v' 'natural abundance' DSS 20 uM 'natural abundance' 'sodium chloride' 140 mM 'natural abundance' DTT 1 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_ save_2D_1H-15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details 'BEST-TROSY version' 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 . 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 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_ _Software_label $SPARKY stop_ 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 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 8.673 0.01 1 2 1 4 MET N N 122.010 0.05 1 3 2 5 PHE H H 8.071 0.01 1 4 2 5 PHE N N 120.293 0.05 1 5 3 6 GLU H H 8.159 0.01 1 6 3 6 GLU N N 126.731 0.05 1 7 4 7 ALA H H 8.422 0.01 1 8 4 7 ALA N N 128.505 0.05 1 9 5 8 ARG H H 8.666 0.01 1 10 5 8 ARG N N 124.202 0.05 1 11 6 9 LEU H H 9.717 0.01 1 12 6 9 LEU N N 129.995 0.05 1 13 7 10 VAL H H 8.956 0.01 1 14 7 10 VAL N N 126.148 0.05 1 15 8 11 GLN H H 7.991 0.01 1 16 8 11 GLN N N 118.561 0.05 1 17 9 12 GLY H H 8.131 0.01 1 18 9 12 GLY N N 111.084 0.05 1 19 10 13 SER H H 8.440 0.01 1 20 10 13 SER N N 114.056 0.05 1 21 11 14 ILE H H 7.908 0.01 1 22 11 14 ILE N N 121.472 0.05 1 23 12 15 LEU H H 7.279 0.01 1 24 12 15 LEU N N 117.196 0.05 1 25 13 16 LYS H H 7.154 0.01 1 26 13 16 LYS N N 116.392 0.05 1 27 14 17 LYS H H 7.975 0.01 1 28 14 17 LYS N N 117.112 0.05 1 29 15 18 VAL H H 8.384 0.01 1 30 15 18 VAL N N 120.304 0.05 1 31 16 19 LEU H H 7.843 0.01 1 32 16 19 LEU N N 120.084 0.05 1 33 17 20 GLU H H 7.862 0.01 1 34 17 20 GLU N N 117.632 0.05 1 35 18 21 ALA H H 7.465 0.01 1 36 18 21 ALA N N 118.768 0.05 1 37 19 22 LEU H H 7.666 0.01 1 38 19 22 LEU N N 118.088 0.05 1 39 20 24 ASP H H 8.714 0.01 1 40 20 24 ASP N N 119.043 0.05 1 41 21 25 LEU H H 7.536 0.01 1 42 21 25 LEU N N 119.844 0.05 1 43 22 27 ASN H H 8.539 0.01 1 44 22 27 ASN N N 120.243 0.05 1 45 23 28 GLU H H 7.721 0.01 1 46 23 28 GLU N N 116.711 0.05 1 47 24 29 ALA H H 8.684 0.01 1 48 24 29 ALA N N 120.687 0.05 1 49 25 30 CYS H H 8.959 0.01 1 50 25 30 CYS N N 119.999 0.05 1 51 26 31 TRP H H 9.549 0.01 1 52 26 31 TRP N N 129.379 0.05 1 53 27 32 ASP H H 9.182 0.01 1 54 27 32 ASP N N 125.532 0.05 1 55 28 33 ILE H H 9.031 0.01 1 56 28 33 ILE N N 127.862 0.05 1 57 29 34 SER H H 8.836 0.01 1 58 29 34 SER N N 120.932 0.05 1 59 30 37 GLY H H 7.665 0.01 1 60 30 37 GLY N N 111.048 0.05 1 61 31 38 VAL H H 8.872 0.01 1 62 31 38 VAL N N 119.444 0.05 1 63 32 39 ASN H H 9.007 0.01 1 64 32 39 ASN N N 124.731 0.05 1 65 33 41 GLN H H 8.935 0.01 1 66 33 41 GLN N N 125.884 0.05 1 67 34 42 SER H H 8.453 0.01 1 68 34 42 SER N N 117.230 0.05 1 69 35 43 MET H H 8.949 0.01 1 70 35 43 MET N N 124.964 0.05 1 71 36 46 SER H H 8.412 0.01 1 72 36 46 SER N N 116.052 0.05 1 73 37 51 VAL H H 8.874 0.01 1 74 37 51 VAL N N 122.738 0.05 1 75 38 53 LEU H H 9.366 0.01 1 76 38 53 LEU N N 128.939 0.05 1 77 39 54 THR H H 8.405 0.01 1 78 39 54 THR N N 122.476 0.05 1 79 40 55 LEU H H 8.788 0.01 1 80 40 55 LEU N N 124.544 0.05 1 81 41 56 ARG H H 9.078 0.01 1 82 41 56 ARG N N 123.383 0.05 1 83 42 57 SER H H 8.119 0.01 1 84 42 57 SER N N 118.107 0.05 1 85 43 59 GLY H H 8.116 0.01 1 86 43 59 GLY N N 105.421 0.05 1 87 44 60 PHE H H 7.620 0.01 1 88 44 60 PHE N N 118.096 0.05 1 89 45 61 ASP H H 8.755 0.01 1 90 45 61 ASP N N 123.790 0.05 1 91 46 62 THR H H 7.720 0.01 1 92 46 62 THR N N 108.431 0.05 1 93 47 63 TYR H H 8.684 0.01 1 94 47 63 TYR N N 125.355 0.05 1 95 48 64 ARG H H 8.463 0.01 1 96 48 64 ARG N N 130.379 0.05 1 97 49 65 CYS H H 9.003 0.01 1 98 49 65 CYS N N 125.583 0.05 1 99 50 66 ASP H H 8.825 0.01 1 100 50 66 ASP N N 128.218 0.05 1 101 51 67 ARG H H 7.744 0.01 1 102 51 67 ARG N N 116.632 0.05 1 103 52 68 ASN H H 8.219 0.01 1 104 52 68 ASN N N 119.164 0.05 1 105 53 69 LEU H H 8.717 0.01 1 106 53 69 LEU N N 122.658 0.05 1 107 54 70 ALA H H 8.340 0.01 1 108 54 70 ALA N N 126.518 0.05 1 109 55 71 MET H H 8.772 0.01 1 110 55 71 MET N N 121.387 0.05 1 111 56 72 GLY H H 9.292 0.01 1 112 56 72 GLY N N 115.751 0.05 1 113 57 73 VAL H H 8.721 0.01 1 114 57 73 VAL N N 122.986 0.05 1 115 58 74 ASN H H 8.616 0.01 1 116 58 74 ASN N N 123.038 0.05 1 117 59 75 LEU H H 8.897 0.01 1 118 59 75 LEU N N 127.358 0.05 1 119 60 76 THR H H 8.291 0.01 1 120 60 76 THR N N 118.962 0.05 1 121 61 78 MET H H 8.230 0.01 1 122 61 78 MET N N 119.641 0.05 1 123 62 79 SER H H 8.412 0.01 1 124 62 79 SER N N 113.042 0.05 1 125 63 80 LYS H H 7.551 0.01 1 126 63 80 LYS N N 120.770 0.05 1 127 64 82 LEU H H 8.135 0.01 1 128 64 82 LEU N N 118.843 0.05 1 129 65 83 LYS H H 7.576 0.01 1 130 65 83 LYS N N 118.822 0.05 1 131 66 84 CYS H H 7.635 0.01 1 132 66 84 CYS N N 115.760 0.05 1 133 67 85 ALA H H 7.106 0.01 1 134 67 85 ALA N N 123.682 0.05 1 135 68 86 GLY H H 9.063 0.01 1 136 68 86 GLY N N 112.600 0.05 1 137 69 89 ASP H H 6.929 0.01 1 138 69 89 ASP N N 120.872 0.05 1 139 70 90 ILE H H 8.577 0.01 1 140 70 90 ILE N N 121.454 0.05 1 141 71 91 ILE H H 8.675 0.01 1 142 71 91 ILE N N 127.916 0.05 1 143 72 92 THR H H 9.511 0.01 1 144 72 92 THR N N 124.664 0.05 1 145 73 93 LEU H H 8.980 0.01 1 146 73 93 LEU N N 125.527 0.05 1 147 74 95 ALA H H 8.803 0.01 1 148 74 95 ALA N N 123.462 0.05 1 149 75 96 GLU H H 8.889 0.01 1 150 75 96 GLU N N 121.457 0.05 1 151 76 97 ASP H H 8.562 0.01 1 152 76 97 ASP N N 120.185 0.05 1 153 77 98 ASN H H 8.485 0.01 1 154 77 98 ASN N N 118.036 0.05 1 155 78 99 ALA H H 7.677 0.01 1 156 78 99 ALA N N 120.155 0.05 1 157 79 100 ASP H H 8.472 0.01 1 158 79 100 ASP N N 117.436 0.05 1 159 80 101 THR H H 7.382 0.01 1 160 80 101 THR N N 109.214 0.05 1 161 81 102 LEU H H 8.681 0.01 1 162 81 102 LEU N N 123.039 0.05 1 163 82 103 ALA H H 8.937 0.01 1 164 82 103 ALA N N 128.818 0.05 1 165 83 104 LEU H H 8.830 0.01 1 166 83 104 LEU N N 120.590 0.05 1 167 84 105 VAL H H 9.047 0.01 1 168 84 105 VAL N N 122.406 0.05 1 169 85 106 PHE H H 9.370 0.01 1 170 85 106 PHE N N 126.654 0.05 1 171 86 107 GLU H H 9.541 0.01 1 172 86 107 GLU N N 126.290 0.05 1 173 87 108 ALA H H 7.833 0.01 1 174 87 108 ALA N N 127.679 0.05 1 175 88 110 ASN H H 8.288 0.01 1 176 88 110 ASN N N 113.834 0.05 1 177 89 114 VAL H H 8.560 0.01 1 178 89 114 VAL N N 125.643 0.05 1 179 90 115 SER H H 8.948 0.01 1 180 90 115 SER N N 123.061 0.05 1 181 91 116 ASP H H 9.158 0.01 1 182 91 116 ASP N N 123.192 0.05 1 183 92 117 TYR H H 9.188 0.01 1 184 92 117 TYR N N 120.670 0.05 1 185 93 118 GLU H H 8.848 0.01 1 186 93 118 GLU N N 121.741 0.05 1 187 94 119 MET H H 9.078 0.01 1 188 94 119 MET N N 122.444 0.05 1 189 95 120 LYS H H 8.226 0.01 1 190 95 120 LYS N N 124.364 0.05 1 191 96 121 LEU H H 7.985 0.01 1 192 96 121 LEU N N 122.968 0.05 1 193 97 122 MET H H 8.604 0.01 1 194 97 122 MET N N 117.611 0.05 1 195 98 124 LEU H H 8.112 0.01 1 196 98 124 LEU N N 124.341 0.05 1 197 99 125 ASP H H 8.389 0.01 1 198 99 125 ASP N N 122.849 0.05 1 199 100 126 VAL H H 8.165 0.01 1 200 100 126 VAL N N 120.379 0.05 1 201 101 127 GLU H H 8.528 0.01 1 202 101 127 GLU N N 125.621 0.05 1 203 102 128 GLN H H 8.637 0.01 1 204 102 128 GLN N N 122.718 0.05 1 205 103 129 LEU H H 8.248 0.01 1 206 103 129 LEU N N 125.326 0.05 1 207 104 133 GLU H H 8.321 0.01 1 208 104 133 GLU N N 121.346 0.05 1 209 105 135 GLU H H 8.052 0.01 1 210 105 135 GLU N N 120.634 0.05 1 211 106 138 CYS H H 8.607 0.01 1 212 106 138 CYS N N 118.816 0.05 1 213 107 139 VAL H H 8.753 0.01 1 214 107 139 VAL N N 125.213 0.05 1 215 108 140 VAL H H 9.500 0.01 1 216 108 140 VAL N N 129.258 0.05 1 217 109 141 LYS H H 8.927 0.01 1 218 109 141 LYS N N 128.606 0.05 1 219 110 142 MET H H 8.677 0.01 1 220 110 142 MET N N 118.770 0.05 1 221 111 144 SER H H 9.049 0.01 1 222 111 144 SER N N 124.210 0.05 1 223 112 146 GLU H H 6.978 0.01 1 224 112 146 GLU N N 121.424 0.05 1 225 113 147 PHE H H 7.472 0.01 1 226 113 147 PHE N N 118.976 0.05 1 227 114 148 ALA H H 7.914 0.01 1 228 114 148 ALA N N 118.029 0.05 1 229 115 150 ILE H H 7.975 0.01 1 230 115 150 ILE N N 119.491 0.05 1 231 116 151 CYS H H 7.204 0.01 1 232 116 151 CYS N N 113.977 0.05 1 233 117 152 ARG H H 7.620 0.01 1 234 117 152 ARG N N 120.836 0.05 1 235 118 154 LEU H H 8.212 0.01 1 236 118 154 LEU N N 114.846 0.05 1 237 119 155 SER H H 7.371 0.01 1 238 119 155 SER N N 114.376 0.05 1 239 120 158 GLY H H 7.709 0.01 1 240 120 158 GLY N N 103.696 0.05 1 241 121 159 ASP H H 8.221 0.01 1 242 121 159 ASP N N 113.634 0.05 1 243 122 160 ALA H H 8.047 0.01 1 244 122 160 ALA N N 125.003 0.05 1 245 123 161 VAL H H 9.405 0.01 1 246 123 161 VAL N N 119.796 0.05 1 247 124 162 VAL H H 9.542 0.01 1 248 124 162 VAL N N 128.658 0.05 1 249 125 164 SER H H 9.017 0.01 1 250 125 164 SER N N 120.094 0.05 1 251 126 165 CYS H H 8.750 0.01 1 252 126 165 CYS N N 124.328 0.05 1 253 127 166 ALA H H 8.468 0.01 1 254 127 166 ALA N N 129.225 0.05 1 255 128 168 ASP H H 8.192 0.01 1 256 128 168 ASP N N 111.619 0.05 1 257 129 169 GLY H H 7.553 0.01 1 258 129 169 GLY N N 107.810 0.05 1 259 130 171 LYS H H 8.801 0.01 1 260 130 171 LYS N N 128.112 0.05 1 261 131 172 PHE H H 9.400 0.01 1 262 131 172 PHE N N 123.583 0.05 1 263 132 173 SER H H 9.190 0.01 1 264 132 173 SER N N 117.866 0.05 1 265 133 174 ALA H H 9.002 0.01 1 266 133 174 ALA N N 123.306 0.05 1 267 134 175 SER H H 8.906 0.01 1 268 134 175 SER N N 114.960 0.05 1 269 135 176 GLY H H 8.484 0.01 1 270 135 176 GLY N N 111.255 0.05 1 271 136 178 LEU H H 8.755 0.01 1 272 136 178 LEU N N 115.493 0.05 1 273 137 179 GLY H H 7.479 0.01 1 274 137 179 GLY N N 105.294 0.05 1 275 138 180 ASN H H 8.524 0.01 1 276 138 180 ASN N N 116.248 0.05 1 277 139 181 GLY H H 8.853 0.01 1 278 139 181 GLY N N 106.207 0.05 1 279 140 182 ASN H H 8.474 0.01 1 280 140 182 ASN N N 119.149 0.05 1 281 141 183 ILE H H 9.606 0.01 1 282 141 183 ILE N N 123.471 0.05 1 283 142 184 LYS H H 9.042 0.01 1 284 142 184 LYS N N 127.577 0.05 1 285 143 185 LEU H H 9.143 0.01 1 286 143 185 LEU N N 126.775 0.05 1 287 144 186 SER H H 8.031 0.01 1 288 144 186 SER N N 117.639 0.05 1 289 145 187 GLN H H 8.182 0.01 1 290 145 187 GLN N N 120.864 0.05 1 291 146 188 THR H H 8.849 0.01 1 292 146 188 THR N N 119.803 0.05 1 293 147 191 VAL H H 8.054 0.01 1 294 147 191 VAL N N 119.036 0.05 1 295 148 192 ASP H H 8.443 0.01 1 296 148 192 ASP N N 122.931 0.05 1 297 149 193 LYS H H 7.715 0.01 1 298 149 193 LYS N N 119.171 0.05 1 299 150 194 GLU H H 8.728 0.01 1 300 150 194 GLU N N 124.847 0.05 1 301 151 195 GLU H H 9.136 0.01 1 302 151 195 GLU N N 116.766 0.05 1 303 152 196 GLU H H 7.810 0.01 1 304 152 196 GLU N N 117.609 0.05 1 305 153 197 ALA H H 7.381 0.01 1 306 153 197 ALA N N 122.373 0.05 1 307 154 198 VAL H H 8.476 0.01 1 308 154 198 VAL N N 121.335 0.05 1 309 155 199 THR H H 9.076 0.01 1 310 155 199 THR N N 119.728 0.05 1 311 156 200 ILE H H 8.607 0.01 1 312 156 200 ILE N N 124.468 0.05 1 313 157 201 GLU H H 8.955 0.01 1 314 157 201 GLU N N 129.378 0.05 1 315 158 202 MET H H 8.830 0.01 1 316 158 202 MET N N 125.297 0.05 1 317 159 203 ASN H H 9.089 0.01 1 318 159 203 ASN N N 122.450 0.05 1 319 160 204 GLU H H 7.525 0.01 1 320 160 204 GLU N N 118.190 0.05 1 321 161 206 VAL H H 7.278 0.01 1 322 161 206 VAL N N 115.677 0.05 1 323 162 207 GLN H H 8.277 0.01 1 324 162 207 GLN N N 124.292 0.05 1 325 163 208 LEU H H 8.669 0.01 1 326 163 208 LEU N N 127.268 0.05 1 327 164 209 THR H H 7.942 0.01 1 328 164 209 THR N N 116.189 0.05 1 329 165 210 PHE H H 9.208 0.01 1 330 165 210 PHE N N 120.291 0.05 1 331 166 214 TYR H H 6.358 0.01 1 332 166 214 TYR N N 112.372 0.05 1 333 167 215 LEU H H 6.567 0.01 1 334 167 215 LEU N N 116.851 0.05 1 335 168 216 ASN H H 7.660 0.01 1 336 168 216 ASN N N 111.342 0.05 1 337 169 217 PHE H H 7.159 0.01 1 338 169 217 PHE N N 118.041 0.05 1 339 170 218 PHE H H 7.888 0.01 1 340 170 218 PHE N N 122.467 0.05 1 341 171 219 THR H H 7.822 0.01 1 342 171 219 THR N N 102.365 0.05 1 343 172 220 LYS H H 7.865 0.01 1 344 172 220 LYS N N 125.837 0.05 1 345 173 221 ALA H H 8.053 0.01 1 346 173 221 ALA N N 119.712 0.05 1 347 174 224 LEU H H 8.399 0.01 1 348 174 224 LEU N N 115.671 0.05 1 349 175 225 SER H H 7.490 0.01 1 350 175 225 SER N N 108.617 0.05 1 351 176 227 THR H H 8.028 0.01 1 352 176 227 THR N N 114.626 0.05 1 353 177 228 VAL H H 9.176 0.01 1 354 177 228 VAL N N 123.206 0.05 1 355 178 230 LEU H H 9.555 0.01 1 356 178 230 LEU N N 127.847 0.05 1 357 179 233 SER H H 9.391 0.01 1 358 179 233 SER N N 118.001 0.05 1 359 180 234 ALA H H 8.933 0.01 1 360 180 234 ALA N N 123.215 0.05 1 361 181 235 ASP H H 8.143 0.01 1 362 181 235 ASP N N 113.750 0.05 1 363 182 236 VAL H H 7.466 0.01 1 364 182 236 VAL N N 114.813 0.05 1 365 183 238 LEU H H 8.456 0.01 1 366 183 238 LEU N N 127.409 0.05 1 367 184 239 VAL H H 7.935 0.01 1 368 184 239 VAL N N 122.140 0.05 1 369 185 240 VAL H H 9.203 0.01 1 370 185 240 VAL N N 129.068 0.05 1 371 186 241 GLU H H 8.728 0.01 1 372 186 241 GLU N N 125.772 0.05 1 373 187 242 TYR H H 9.227 0.01 1 374 187 242 TYR N N 126.826 0.05 1 375 188 243 LYS H H 8.624 0.01 1 376 188 243 LYS N N 124.102 0.05 1 377 189 244 ILE H H 7.971 0.01 1 378 189 244 ILE N N 123.231 0.05 1 379 190 245 ALA H H 8.906 0.01 1 380 190 245 ALA N N 130.197 0.05 1 381 191 247 MET H H 8.696 0.01 1 382 191 247 MET N N 115.986 0.05 1 383 192 250 LEU H H 9.002 0.01 1 384 192 250 LEU N N 122.447 0.05 1 385 193 253 TYR H H 9.434 0.01 1 386 193 253 TYR N N 119.096 0.05 1 387 194 254 LEU H H 8.956 0.01 1 388 194 254 LEU N N 122.059 0.05 1 389 195 255 ALA H H 8.814 0.01 1 390 195 255 ALA N N 130.718 0.05 1 391 196 257 LYS H H 8.367 0.01 1 392 196 257 LYS N N 121.578 0.05 1 393 197 258 ILE H H 8.301 0.01 1 394 197 258 ILE N N 125.357 0.05 1 395 198 259 GLU H H 8.513 0.01 1 396 198 259 GLU N N 125.333 0.05 1 397 199 260 ASP H H 8.321 0.01 1 398 199 260 ASP N N 121.346 0.05 1 399 200 261 GLU H H 8.344 0.01 1 400 200 261 GLU N N 120.966 0.05 1 401 201 263 GLY H H 8.375 0.01 1 402 201 263 GLY N N 110.346 0.05 1 403 202 264 SER H H 7.833 0.01 1 404 202 264 SER N N 121.151 0.05 1 stop_ save_