data_27558 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Amide chemical shifts of PCNA bound to p15 peptide and DNA ; _BMRB_accession_number 27558 _BMRB_flat_file_name bmr27558.str _Entry_type original _Submission_date 2018-07-25 _Accession_date 2018-07-25 _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 . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 151 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-11-15 original BMRB . stop_ _Original_release_date 2018-07-26 save_ ############################# # Citation for this entry # ############################# save_Citation_q _Saveframe_category entry_citation _Citation_full . _Citation_title ; p15PAF binding to PCNA modulates the DNA sliding surface. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30102405 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'De March' Matteo . . 2 Barrera-Vilarmau Susana . . 3 Crespan Emmanuele . . 4 Mentegari Elisa . . 5 Merino Nekane . . 6 Gonzalez-Magana Amaia . . 7 Romano-Moreno Miguel . . 8 Maga Giovanni . . 9 Crehuet Ramon . . 10 Onesti Silvia . . 11 Blanco Francisco J. . 12 'De Biasio' Alfredo . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 46 _Journal_issue 18 _Journal_ISSN 1362-4962 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9816 _Page_last 9828 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PCNA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PCNA $PCNA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details ; The p15 peptide sequence (residues 50-77): GNPVCVRPTPKWQKGIGEFFRLSPKDSE; 28 residus long (50-77) fragment of human p15PAF. The DNA Sequence (5'-3') 10 bp duplex: 1: CCCATCGTAT 2: ATACGATGGG ; save_ ######################## # Monomeric polymers # ######################## save_PCNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PCNA _Molecular_mass . _Mol_thiol_state unknown _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_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $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 $PCNA 'recombinant technology' . Escherichia coli . pET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PCNA 0.1 mM . P15(50-77) 0.64 mM . 'DNA duplex' 0.1 mM . 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 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 'TCI-z probe' save_ ############################# # NMR applied experiments # ############################# save_2D-1H-15N-TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-1H-15N-TROSY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'The ionic strength comes from 50 mM NaCl 20 mM NaP' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.06 0.001 M pH 7.0 0.1 pH pressure 1 0.1 atm temperature 308 0.1 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_ _Experiment_label 2D-1H-15N-TROSY 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 8.675 0.002 1 2 1 4 MET N N 122.070 0.062 1 3 3 6 GLU H H 8.186 0.002 1 4 3 6 GLU N N 126.740 0.062 1 5 4 7 ALA H H 8.455 0.002 1 6 4 7 ALA N N 128.556 0.062 1 7 5 8 ARG H H 8.661 0.002 1 8 5 8 ARG N N 124.406 0.062 1 9 7 10 VAL H H 8.962 0.002 1 10 7 10 VAL N N 126.088 0.062 1 11 8 11 GLN H H 8.003 0.002 1 12 8 11 GLN N N 118.679 0.062 1 13 9 12 GLY H H 8.179 0.002 1 14 9 12 GLY N N 110.957 0.062 1 15 10 13 SER H H 8.472 0.002 1 16 10 13 SER N N 114.198 0.062 1 17 12 15 LEU H H 7.291 0.002 1 18 12 15 LEU N N 117.134 0.062 1 19 14 17 LYS H H 7.987 0.002 1 20 14 17 LYS N N 116.963 0.062 1 21 15 18 VAL H H 8.347 0.002 1 22 15 18 VAL N N 120.372 0.062 1 23 16 19 LEU H H 7.865 0.002 1 24 16 19 LEU N N 120.065 0.062 1 25 18 21 ALA H H 7.549 0.002 1 26 18 21 ALA N N 118.578 0.062 1 27 19 22 LEU H H 7.602 0.002 1 28 19 22 LEU N N 116.653 0.062 1 29 20 23 LYS H H 7.883 0.002 1 30 20 23 LYS N N 116.615 0.062 1 31 21 24 ASP H H 8.726 0.002 1 32 21 24 ASP N N 119.110 0.062 1 33 22 25 LEU H H 7.667 0.002 1 34 22 25 LEU N N 119.893 0.062 1 35 23 26 ILE H H 7.936 0.002 1 36 23 26 ILE N N 117.086 0.062 1 37 24 27 ASN H H 8.573 0.002 1 38 24 27 ASN N N 120.289 0.062 1 39 25 28 GLU H H 7.776 0.002 1 40 25 28 GLU N N 117.039 0.062 1 41 26 29 ALA H H 8.712 0.002 1 42 26 29 ALA N N 121.235 0.062 1 43 27 30 CYS H H 8.989 0.002 1 44 27 30 CYS N N 120.105 0.062 1 45 28 31 TRP H H 9.531 0.002 1 46 28 31 TRP N N 129.841 0.062 1 47 29 32 ASP H H 9.240 0.002 1 48 29 32 ASP N N 125.367 0.062 1 49 30 33 ILE H H 9.047 0.002 1 50 30 33 ILE N N 127.844 0.062 1 51 31 34 SER H H 8.857 0.002 1 52 31 34 SER N N 120.930 0.062 1 53 34 37 GLY H H 7.688 0.002 1 54 34 37 GLY N N 111.051 0.062 1 55 36 39 ASN H H 9.064 0.002 1 56 36 39 ASN N N 124.710 0.062 1 57 37 40 LEU H H 8.809 0.002 1 58 37 40 LEU N N 123.204 0.062 1 59 38 41 GLN H H 8.940 0.002 1 60 38 41 GLN N N 125.551 0.062 1 61 42 45 SER H H 9.103 0.002 1 62 42 45 SER N N 115.940 0.062 1 63 43 46 SER H H 8.396 0.002 1 64 43 46 SER N N 115.753 0.062 1 65 50 53 LEU H H 9.398 0.002 1 66 50 53 LEU N N 129.020 0.062 1 67 52 55 LEU H H 8.823 0.002 1 68 52 55 LEU N N 124.659 0.062 1 69 53 56 ARG H H 9.135 0.002 1 70 53 56 ARG N N 123.372 0.062 1 71 54 57 SER H H 8.152 0.002 1 72 54 57 SER N N 117.966 0.062 1 73 56 59 GLY H H 8.157 0.002 1 74 56 59 GLY N N 105.394 0.062 1 75 58 61 ASP H H 8.791 0.002 1 76 58 61 ASP N N 123.921 0.062 1 77 59 62 THR H H 7.725 0.002 1 78 59 62 THR N N 108.372 0.062 1 79 60 63 TYR H H 8.719 0.002 1 80 60 63 TYR N N 125.417 0.062 1 81 61 64 ARG H H 8.485 0.002 1 82 61 64 ARG N N 130.302 0.062 1 83 62 65 CYS H H 9.034 0.002 1 84 62 65 CYS N N 125.486 0.062 1 85 63 66 ASP H H 8.861 0.002 1 86 63 66 ASP N N 128.241 0.062 1 87 64 67 ARG H H 7.787 0.002 1 88 64 67 ARG N N 116.670 0.062 1 89 65 68 ASN H H 8.257 0.002 1 90 65 68 ASN N N 119.181 0.062 1 91 67 70 ALA H H 8.368 0.002 1 92 67 70 ALA N N 126.578 0.062 1 93 68 71 MET H H 8.822 0.002 1 94 68 71 MET N N 121.503 0.062 1 95 69 72 GLY H H 9.323 0.002 1 96 69 72 GLY N N 115.866 0.062 1 97 71 74 ASN H H 8.618 0.002 1 98 71 74 ASN N N 122.723 0.062 1 99 72 75 LEU H H 8.823 0.002 1 100 72 75 LEU N N 127.485 0.062 1 101 73 76 THR H H 8.358 0.002 1 102 73 76 THR N N 118.662 0.062 1 103 75 78 MET H H 8.219 0.002 1 104 75 78 MET N N 119.692 0.062 1 105 76 79 SER H H 8.504 0.002 1 106 76 79 SER N N 113.276 0.062 1 107 78 81 ILE H H 7.282 0.002 1 108 78 81 ILE N N 116.261 0.062 1 109 81 84 CYS H H 7.686 0.002 1 110 81 84 CYS N N 115.469 0.062 1 111 82 85 ALA H H 7.185 0.002 1 112 82 85 ALA N N 123.989 0.062 1 113 83 86 GLY H H 9.081 0.002 1 114 83 86 GLY N N 112.493 0.062 1 115 85 88 GLU H H 8.715 0.002 1 116 85 88 GLU N N 116.670 0.062 1 117 86 89 ASP H H 6.955 0.002 1 118 86 89 ASP N N 120.829 0.062 1 119 87 90 ILE H H 8.594 0.002 1 120 87 90 ILE N N 121.510 0.062 1 121 88 91 ILE H H 8.713 0.002 1 122 88 91 ILE N N 128.101 0.062 1 123 89 92 THR H H 9.579 0.002 1 124 89 92 THR N N 124.657 0.062 1 125 90 93 LEU H H 8.977 0.002 1 126 90 93 LEU N N 125.422 0.062 1 127 93 96 GLU H H 8.942 0.002 1 128 93 96 GLU N N 121.417 0.062 1 129 94 97 ASP H H 8.602 0.002 1 130 94 97 ASP N N 120.001 0.062 1 131 95 98 ASN H H 8.520 0.002 1 132 95 98 ASN N N 117.873 0.062 1 133 96 99 ALA H H 7.718 0.002 1 134 96 99 ALA N N 120.181 0.062 1 135 97 100 ASP H H 8.492 0.002 1 136 97 100 ASP N N 117.468 0.062 1 137 98 101 THR H H 7.409 0.002 1 138 98 101 THR N N 109.208 0.062 1 139 100 103 ALA H H 8.984 0.002 1 140 100 103 ALA N N 128.863 0.062 1 141 101 104 LEU H H 8.886 0.002 1 142 101 104 LEU N N 120.689 0.062 1 143 103 106 PHE H H 9.463 0.002 1 144 103 106 PHE N N 126.771 0.062 1 145 104 107 GLU H H 9.572 0.002 1 146 104 107 GLU N N 126.145 0.062 1 147 105 108 ALA H H 7.873 0.002 1 148 105 108 ALA N N 127.682 0.062 1 149 107 110 ASN H H 8.314 0.002 1 150 107 110 ASN N N 113.855 0.062 1 151 109 112 GLU H H 8.783 0.002 1 152 109 112 GLU N N 120.173 0.062 1 153 113 116 ASP H H 9.282 0.002 1 154 113 116 ASP N N 123.107 0.062 1 155 114 117 TYR H H 9.238 0.002 1 156 114 117 TYR N N 120.857 0.062 1 157 115 118 GLU H H 8.843 0.002 1 158 115 118 GLU N N 121.551 0.062 1 159 118 121 LEU H H 7.996 0.002 1 160 118 121 LEU N N 122.888 0.062 1 161 119 122 MET H H 8.646 0.002 1 162 119 122 MET N N 117.763 0.062 1 163 121 124 LEU H H 8.183 0.002 1 164 121 124 LEU N N 124.555 0.062 1 165 123 126 VAL H H 8.242 0.002 1 166 123 126 VAL N N 120.771 0.062 1 167 124 127 GLU H H 8.530 0.002 1 168 124 127 GLU N N 125.985 0.062 1 169 125 128 GLN H H 8.626 0.002 1 170 125 128 GLN N N 123.340 0.062 1 171 132 135 GLU H H 7.993 0.002 1 172 132 135 GLU N N 120.673 0.062 1 173 136 139 VAL H H 8.796 0.002 1 174 136 139 VAL N N 125.960 0.062 1 175 137 140 VAL H H 9.495 0.002 1 176 137 140 VAL N N 129.060 0.062 1 177 138 141 LYS H H 8.933 0.002 1 178 138 141 LYS N N 128.538 0.062 1 179 139 142 MET H H 8.715 0.002 1 180 139 142 MET N N 118.823 0.062 1 181 141 144 SER H H 9.067 0.002 1 182 141 144 SER N N 124.283 0.062 1 183 142 145 GLY H H 9.427 0.002 1 184 142 145 GLY N N 112.931 0.062 1 185 143 146 GLU H H 6.977 0.002 1 186 143 146 GLU N N 121.240 0.062 1 187 144 147 PHE H H 7.575 0.002 1 188 144 147 PHE N N 118.874 0.062 1 189 148 151 CYS H H 7.312 0.002 1 190 148 151 CYS N N 114.405 0.062 1 191 149 152 ARG H H 7.773 0.002 1 192 149 152 ARG N N 121.317 0.062 1 193 155 158 GLY H H 7.762 0.002 1 194 155 158 GLY N N 103.361 0.062 1 195 156 159 ASP H H 8.232 0.002 1 196 156 159 ASP N N 112.278 0.062 1 197 159 162 VAL H H 9.669 0.002 1 198 159 162 VAL N N 128.418 0.062 1 199 161 164 SER H H 9.124 0.002 1 200 161 164 SER N N 120.687 0.062 1 201 163 166 ALA H H 8.489 0.002 1 202 163 166 ALA N N 128.356 0.062 1 203 165 168 ASP H H 8.176 0.002 1 204 165 168 ASP N N 111.199 0.062 1 205 166 169 GLY H H 7.585 0.002 1 206 166 169 GLY N N 107.874 0.062 1 207 168 171 LYS H H 8.817 0.002 1 208 168 171 LYS N N 127.983 0.062 1 209 169 172 PHE H H 9.495 0.002 1 210 169 172 PHE N N 123.491 0.062 1 211 170 173 SER H H 9.266 0.002 1 212 170 173 SER N N 117.929 0.062 1 213 172 175 SER H H 8.963 0.002 1 214 172 175 SER N N 115.073 0.062 1 215 173 176 GLY H H 8.500 0.002 1 216 173 176 GLY N N 111.630 0.062 1 217 175 178 LEU H H 8.895 0.002 1 218 175 178 LEU N N 116.331 0.062 1 219 176 179 GLY H H 7.511 0.002 1 220 176 179 GLY N N 104.879 0.062 1 221 178 181 GLY H H 8.865 0.002 1 222 178 181 GLY N N 106.374 0.062 1 223 179 182 ASN H H 8.518 0.002 1 224 179 182 ASN N N 119.483 0.062 1 225 180 183 ILE H H 9.683 0.002 1 226 180 183 ILE N N 123.716 0.062 1 227 181 184 LYS H H 9.153 0.002 1 228 181 184 LYS N N 127.622 0.062 1 229 182 185 LEU H H 9.179 0.002 1 230 182 185 LEU N N 126.688 0.062 1 231 183 186 SER H H 8.056 0.002 1 232 183 186 SER N N 117.933 0.062 1 233 184 187 GLN H H 8.135 0.002 1 234 184 187 GLN N N 121.723 0.062 1 235 185 188 THR H H 8.887 0.002 1 236 185 188 THR N N 120.069 0.062 1 237 188 191 VAL H H 8.071 0.002 1 238 188 191 VAL N N 118.995 0.062 1 239 189 192 ASP H H 8.448 0.002 1 240 189 192 ASP N N 122.728 0.062 1 241 191 194 GLU H H 8.729 0.002 1 242 191 194 GLU N N 124.541 0.062 1 243 192 195 GLU H H 9.149 0.002 1 244 192 195 GLU N N 116.964 0.062 1 245 193 196 GLU H H 7.855 0.002 1 246 193 196 GLU N N 117.830 0.062 1 247 194 197 ALA H H 7.436 0.002 1 248 194 197 ALA N N 122.503 0.062 1 249 195 198 VAL H H 8.445 0.002 1 250 195 198 VAL N N 121.262 0.062 1 251 196 199 THR H H 9.120 0.002 1 252 196 199 THR N N 119.699 0.062 1 253 198 201 GLU H H 9.044 0.002 1 254 198 201 GLU N N 129.039 0.062 1 255 199 202 MET H H 8.862 0.002 1 256 199 202 MET N N 125.124 0.062 1 257 205 208 LEU H H 8.719 0.002 1 258 205 208 LEU N N 126.714 0.062 1 259 207 210 PHE H H 9.348 0.002 1 260 207 210 PHE N N 119.541 0.062 1 261 209 212 LEU H H 8.236 0.002 1 262 209 212 LEU N N 126.791 0.062 1 263 214 217 PHE H H 7.094 0.002 1 264 214 217 PHE N N 117.825 0.062 1 265 216 219 THR H H 7.804 0.002 1 266 216 219 THR N N 102.343 0.062 1 267 217 220 LYS H H 7.760 0.002 1 268 217 220 LYS N N 126.008 0.062 1 269 218 221 ALA H H 8.026 0.002 1 270 218 221 ALA N N 119.375 0.062 1 271 221 224 LEU H H 8.427 0.002 1 272 221 224 LEU N N 115.435 0.062 1 273 222 225 SER H H 7.525 0.002 1 274 222 225 SER N N 108.455 0.062 1 275 224 227 THR H H 8.057 0.002 1 276 224 227 THR N N 114.758 0.062 1 277 225 228 VAL H H 9.234 0.002 1 278 225 228 VAL N N 123.860 0.062 1 279 227 230 LEU H H 9.489 0.002 1 280 227 230 LEU N N 127.106 0.062 1 281 232 235 ASP H H 8.146 0.002 1 282 232 235 ASP N N 112.549 0.062 1 283 237 240 VAL H H 9.129 0.002 1 284 237 240 VAL N N 129.653 0.062 1 285 238 241 GLU H H 8.772 0.002 1 286 238 241 GLU N N 125.966 0.062 1 287 239 242 TYR H H 9.319 0.002 1 288 239 242 TYR N N 127.256 0.062 1 289 241 244 ILE H H 8.006 0.002 1 290 241 244 ILE N N 123.154 0.062 1 291 242 245 ALA H H 8.962 0.002 1 292 242 245 ALA N N 130.200 0.062 1 293 243 246 ASP H H 8.484 0.002 1 294 243 246 ASP N N 120.765 0.062 1 295 244 247 MET H H 8.725 0.002 1 296 244 247 MET N N 115.874 0.062 1 297 258 261 GLU H H 8.413 0.002 1 298 258 261 GLU N N 120.996 0.062 1 299 260 263 GLY H H 8.402 0.002 1 300 260 263 GLY N N 110.372 0.062 1 301 261 264 SER H H 7.865 0.002 1 302 261 264 SER N N 121.179 0.062 1 stop_ save_