data_27698 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; p15CCSS ; _BMRB_accession_number 27698 _BMRB_flat_file_name bmr27698.str _Entry_type original _Submission_date 2018-11-21 _Accession_date 2018-11-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'P15 mutant K15C, K24C, C54S, and C99S' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Blanco Francisco J. . 2 'Ibanez de Opakua' Alain . . 3 Gonzalez-magana Amaia . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 99 "13C chemical shifts" 208 "15N chemical shifts" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-10-25 update BMRB 'update entry citation' 2019-09-24 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27696 'This is the aNMR assignment of the doubly ubiquitinated p15CCSS' stop_ _Original_release_date 2018-11-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Double Monoubiquitination Modifies the Molecular Recognition Properties of p15PAF Promoting Binding to the Reader Module of Dnmt1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31479228 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gonzalez-Magana Amaia . . 2 'de Opakua' 'Alain Ibanez' I. . 3 Merino Nekane . . 4 Monteiro Hugo . . 5 Diercks Tammo . . 6 Murciano-Calles Javier . . 7 Luque Irene . . 8 Bernado Pau . . 9 Cordeiro Tiago N. . 10 Biasio 'Alfredo De' . . 11 Blanco Francisco J. . stop_ _Journal_abbreviation 'ACS Chem. Biol.' _Journal_name_full 'ACS chemical biology' _Journal_volume 14 _Journal_issue 10 _Journal_ISSN 1554-8937 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2315 _Page_last 2326 _Year 2019 _Details . loop_ _Keyword DNA PCNA disordered p15 ubiquitination stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name p15CSS _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label p15CSS $p15CSS stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_p15CSS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p15CSS _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 110 _Mol_residue_sequence ; VRTKADSVPGTYRCVVAARA PRCVLGSSTSATNSTSVSSR KAENKYAGGNPVSVRPTPKW QKGIGEFFRLSPKDSEKENQ IPEEAGSSGLGKAKRKASPL QPDHTNDEKE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 VAL 2 3 ARG 3 4 THR 4 5 LYS 5 6 ALA 6 7 ASP 7 8 SER 8 9 VAL 9 10 PRO 10 11 GLY 11 12 THR 12 13 TYR 13 14 ARG 14 15 CYS 15 16 VAL 16 17 VAL 17 18 ALA 18 19 ALA 19 20 ARG 20 21 ALA 21 22 PRO 22 23 ARG 23 24 CYS 24 25 VAL 25 26 LEU 26 27 GLY 27 28 SER 28 29 SER 29 30 THR 30 31 SER 31 32 ALA 32 33 THR 33 34 ASN 34 35 SER 35 36 THR 36 37 SER 37 38 VAL 38 39 SER 39 40 SER 40 41 ARG 41 42 LYS 42 43 ALA 43 44 GLU 44 45 ASN 45 46 LYS 46 47 TYR 47 48 ALA 48 49 GLY 49 50 GLY 50 51 ASN 51 52 PRO 52 53 VAL 53 54 SER 54 55 VAL 55 56 ARG 56 57 PRO 57 58 THR 58 59 PRO 59 60 LYS 60 61 TRP 61 62 GLN 62 63 LYS 63 64 GLY 64 65 ILE 65 66 GLY 66 67 GLU 67 68 PHE 68 69 PHE 69 70 ARG 70 71 LEU 71 72 SER 72 73 PRO 73 74 LYS 74 75 ASP 75 76 SER 76 77 GLU 77 78 LYS 78 79 GLU 79 80 ASN 80 81 GLN 81 82 ILE 82 83 PRO 83 84 GLU 84 85 GLU 85 86 ALA 86 87 GLY 87 88 SER 88 89 SER 89 90 GLY 90 91 LEU 91 92 GLY 92 93 LYS 93 94 ALA 94 95 LYS 95 96 ARG 96 97 LYS 97 98 ALA 98 99 SER 99 100 PRO 100 101 LEU 101 102 GLN 102 103 PRO 103 104 ASP 104 105 HIS 105 106 THR 106 107 ASN 107 108 ASP 108 109 GLU 109 110 LYS 110 111 GLU 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 $p15CSS 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 $p15CSS 'recombinant technology' . Escherichia coli . pET11d 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 $p15CSS 50 uM '[U-100% 13C; U-100% 15N]' D2O 5 % '[U-100% 2H]' DTT 1 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' DSS 50 uM 'natural abundance' 'sodium phosphate' 10 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 'with TCI cryoprobe' 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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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' 0.15 . M pH 6.2 . pH pressure 1 . atm temperature 298 . 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 C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 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 HSQC' '3D HNCO' '3D HNCA' 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 p15CSS _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 3 2 ARG C C 176.207 0.05 1 2 3 2 ARG CA C 56.284 0.1 1 3 4 3 THR H H 8.440 0.01 1 4 4 3 THR C C 174.524 0.05 1 5 4 3 THR CA C 61.684 0.1 1 6 4 3 THR N N 117.090 0.05 1 7 5 4 LYS H H 8.435 0.01 1 8 5 4 LYS C C 176.449 0.05 1 9 5 4 LYS CA C 56.636 0.1 1 10 5 4 LYS N N 123.910 0.05 1 11 6 5 ALA H H 8.367 0.01 1 12 6 5 ALA C C 177.532 0.05 1 13 6 5 ALA CA C 52.710 0.1 1 14 6 5 ALA N N 125.419 0.05 1 15 7 6 ASP H H 8.222 0.01 1 16 7 6 ASP C C 176.263 0.05 1 17 7 6 ASP CA C 54.435 0.1 1 18 7 6 ASP N N 119.371 0.05 1 19 8 7 SER H H 8.126 0.01 1 20 8 7 SER C C 174.148 0.05 1 21 8 7 SER CA C 58.278 0.1 1 22 8 7 SER N N 115.606 0.05 1 23 9 8 VAL H H 8.140 0.01 1 24 9 8 VAL CA C 60.103 0.1 1 25 9 8 VAL N N 123.097 0.05 1 26 10 9 PRO C C 177.580 0.05 1 27 10 9 PRO CA C 63.650 0.1 1 28 11 10 GLY H H 8.500 0.01 1 29 11 10 GLY C C 174.417 0.05 1 30 11 10 GLY CA C 45.456 0.1 1 31 11 10 GLY N N 109.318 0.05 1 32 12 11 THR H H 7.895 0.01 1 33 12 11 THR C C 174.342 0.05 1 34 12 11 THR CA C 62.138 0.1 1 35 12 11 THR N N 113.306 0.05 1 36 13 12 TYR H H 8.238 0.01 1 37 13 12 TYR C C 175.451 0.05 1 38 13 12 TYR CA C 58.058 0.1 1 39 13 12 TYR N N 123.007 0.05 1 40 14 13 ARG H H 8.126 0.01 1 41 14 13 ARG C C 175.426 0.05 1 42 14 13 ARG CA C 55.814 0.1 1 43 14 13 ARG N N 123.617 0.05 1 44 15 14 CYS H H 8.286 0.01 1 45 15 14 CYS C C 174.513 0.05 1 46 15 14 CYS CA C 58.505 0.1 1 47 15 14 CYS N N 121.166 0.05 1 48 16 15 VAL H H 8.275 0.01 1 49 16 15 VAL C C 176.094 0.05 1 50 16 15 VAL CA C 62.522 0.1 1 51 16 15 VAL N N 123.655 0.05 1 52 17 16 VAL H H 8.203 0.01 1 53 17 16 VAL C C 175.787 0.05 1 54 17 16 VAL CA C 62.310 0.1 1 55 17 16 VAL N N 124.695 0.05 1 56 18 17 ALA H H 8.351 0.01 1 57 18 17 ALA C C 177.333 0.05 1 58 18 17 ALA CA C 52.443 0.1 1 59 18 17 ALA N N 128.384 0.05 1 60 19 18 ALA H H 8.229 0.01 1 61 19 18 ALA C C 177.627 0.05 1 62 19 18 ALA CA C 52.483 0.1 1 63 19 18 ALA N N 123.623 0.05 1 64 20 19 ARG H H 8.228 0.01 1 65 20 19 ARG C C 175.682 0.05 1 66 20 19 ARG CA C 55.704 0.1 1 67 20 19 ARG N N 120.304 0.05 1 68 21 20 ALA H H 8.281 0.01 1 69 21 20 ALA CA C 50.554 0.1 1 70 21 20 ALA N N 126.885 0.05 1 71 22 21 PRO C C 176.875 0.05 1 72 22 21 PRO CA C 63.032 0.1 1 73 23 22 ARG H H 8.417 0.01 1 74 23 22 ARG C C 176.225 0.05 1 75 23 22 ARG CA C 56.275 0.1 1 76 23 22 ARG N N 121.113 0.05 1 77 24 23 CYS H H 8.396 0.01 1 78 24 23 CYS C C 174.496 0.05 1 79 24 23 CYS CA C 58.364 0.1 1 80 24 23 CYS N N 121.034 0.05 1 81 25 24 VAL H H 8.318 0.01 1 82 25 24 VAL C C 176.098 0.05 1 83 25 24 VAL CA C 62.388 0.1 1 84 25 24 VAL N N 123.453 0.05 1 85 26 25 LEU H H 8.367 0.01 1 86 26 25 LEU C C 177.846 0.05 1 87 26 25 LEU CA C 55.375 0.1 1 88 26 25 LEU N N 126.389 0.05 1 89 27 26 GLY H H 8.438 0.01 1 90 27 26 GLY C C 174.175 0.05 1 91 27 26 GLY CA C 45.360 0.1 1 92 27 26 GLY N N 110.266 0.05 1 93 28 27 SER H H 8.211 0.01 1 94 28 27 SER C C 174.895 0.05 1 95 28 27 SER CA C 58.309 0.1 1 96 28 27 SER N N 115.448 0.05 1 97 29 28 SER H H 8.478 0.01 1 98 29 28 SER C C 174.989 0.05 1 99 29 28 SER CA C 58.609 0.1 1 100 29 28 SER N N 117.947 0.05 1 101 30 29 THR H H 8.229 0.01 1 102 30 29 THR C C 174.719 0.05 1 103 30 29 THR CA C 61.971 0.1 1 104 30 29 THR N N 115.543 0.05 1 105 31 30 SER H H 8.276 0.01 1 106 31 30 SER C C 174.438 0.05 1 107 31 30 SER CA C 58.467 0.1 1 108 31 30 SER N N 118.025 0.05 1 109 32 31 ALA H H 8.374 0.01 1 110 32 31 ALA C C 178.098 0.05 1 111 32 31 ALA CA C 52.824 0.1 1 112 32 31 ALA N N 126.222 0.05 1 113 33 32 THR H H 8.120 0.01 1 114 33 32 THR C C 174.491 0.05 1 115 33 32 THR CA C 61.983 0.1 1 116 33 32 THR N N 112.806 0.05 1 117 34 33 ASN H H 8.386 0.01 1 118 34 33 ASN C C 175.381 0.05 1 119 34 33 ASN CA C 53.349 0.1 1 120 34 33 ASN N N 120.975 0.05 1 121 35 34 SER H H 8.328 0.01 1 122 35 34 SER C C 174.989 0.05 1 123 35 34 SER CA C 58.659 0.1 1 124 35 34 SER N N 116.338 0.05 1 125 36 35 THR H H 8.229 0.01 1 126 36 35 THR C C 174.797 0.05 1 127 36 35 THR CA C 62.055 0.1 1 128 36 35 THR N N 115.542 0.05 1 129 37 36 SER H H 8.302 0.01 1 130 37 36 SER C C 174.781 0.05 1 131 37 36 SER CA C 58.476 0.1 1 132 37 36 SER N N 118.290 0.05 1 133 38 37 VAL H H 8.180 0.01 1 134 38 37 VAL C C 176.565 0.05 1 135 38 37 VAL CA C 62.720 0.1 1 136 38 37 VAL N N 121.745 0.05 1 137 39 38 SER H H 8.357 0.01 1 138 39 38 SER C C 174.875 0.05 1 139 39 38 SER CA C 58.626 0.1 1 140 39 38 SER N N 118.799 0.05 1 141 40 39 SER H H 8.288 0.01 1 142 40 39 SER C C 174.574 0.05 1 143 40 39 SER CA C 58.598 0.1 1 144 40 39 SER N N 118.072 0.05 1 145 41 40 ARG H H 8.239 0.01 1 146 41 40 ARG C C 176.377 0.05 1 147 41 40 ARG CA C 56.364 0.1 1 148 41 40 ARG N N 122.929 0.05 1 149 42 41 LYS H H 8.284 0.01 1 150 42 41 LYS C C 176.429 0.05 1 151 42 41 LYS CA C 56.481 0.1 1 152 42 41 LYS N N 122.867 0.05 1 153 43 42 ALA H H 8.326 0.01 1 154 43 42 ALA C C 177.729 0.05 1 155 43 42 ALA CA C 52.639 0.1 1 156 43 42 ALA N N 125.410 0.05 1 157 44 43 GLU H H 8.386 0.01 1 158 44 43 GLU C C 176.321 0.05 1 159 44 43 GLU CA C 56.609 0.1 1 160 44 43 GLU N N 120.213 0.05 1 161 45 44 ASN H H 8.418 0.01 1 162 45 44 ASN C C 175.275 0.05 1 163 45 44 ASN CA C 53.226 0.1 1 164 45 44 ASN N N 119.998 0.05 1 165 46 45 LYS H H 8.262 0.01 1 166 46 45 LYS C C 176.282 0.05 1 167 46 45 LYS CA C 56.694 0.1 1 168 46 45 LYS N N 121.947 0.05 1 169 47 46 TYR H H 8.193 0.01 1 170 47 46 TYR C C 175.801 0.05 1 171 47 46 TYR CA C 57.719 0.1 1 172 47 46 TYR N N 120.700 0.05 1 173 48 47 ALA H H 8.197 0.01 1 174 48 47 ALA C C 177.953 0.05 1 175 48 47 ALA CA C 52.631 0.1 1 176 48 47 ALA N N 126.416 0.05 1 177 49 48 GLY H H 7.880 0.01 1 178 49 48 GLY C C 174.527 0.05 1 179 49 48 GLY CA C 45.380 0.1 1 180 49 48 GLY N N 107.762 0.05 1 181 50 49 GLY H H 8.171 0.01 1 182 50 49 GLY C C 173.563 0.05 1 183 50 49 GLY CA C 44.986 0.1 1 184 50 49 GLY N N 108.179 0.05 1 185 51 50 ASN H H 8.318 0.01 1 186 51 50 ASN CA C 51.382 0.1 1 187 51 50 ASN N N 119.634 0.05 1 188 52 51 PRO C C 176.951 0.05 1 189 52 51 PRO CA C 63.338 0.1 1 190 53 52 VAL H H 8.152 0.01 1 191 53 52 VAL C C 176.250 0.05 1 192 53 52 VAL CA C 62.402 0.1 1 193 53 52 VAL N N 119.898 0.05 1 194 54 53 SER H H 8.268 0.01 1 195 54 53 SER C C 174.307 0.05 1 196 54 53 SER CA C 58.112 0.1 1 197 54 53 SER N N 119.257 0.05 1 198 55 54 VAL H H 8.127 0.01 1 199 55 54 VAL C C 175.836 0.05 1 200 55 54 VAL CA C 62.057 0.1 1 201 55 54 VAL N N 122.110 0.05 1 202 56 55 ARG H H 8.367 0.01 1 203 56 55 ARG CA C 53.872 0.1 1 204 56 55 ARG N N 126.170 0.05 1 205 57 56 PRO C C 176.729 0.05 1 206 57 56 PRO CA C 62.918 0.1 1 207 58 57 THR H H 8.295 0.01 1 208 58 57 THR CA C 59.982 0.1 1 209 58 57 THR N N 117.776 0.05 1 210 59 58 PRO C C 176.940 0.05 1 211 59 58 PRO CA C 63.150 0.1 1 212 60 59 LYS H H 8.350 0.01 1 213 60 59 LYS C C 176.491 0.05 1 214 60 59 LYS CA C 56.870 0.1 1 215 60 59 LYS N N 121.549 0.05 1 216 61 60 TRP H H 7.900 0.01 1 217 61 60 TRP C C 176.081 0.05 1 218 61 60 TRP CA C 57.181 0.1 1 219 61 60 TRP N N 120.411 0.05 1 220 62 61 GLN H H 7.927 0.01 1 221 62 61 GLN C C 175.251 0.05 1 222 62 61 GLN CA C 55.694 0.1 1 223 62 61 GLN N N 122.305 0.05 1 224 63 62 LYS H H 8.090 0.01 1 225 63 62 LYS C C 176.969 0.05 1 226 63 62 LYS CA C 56.797 0.1 1 227 63 62 LYS N N 122.360 0.05 1 228 64 63 GLY H H 8.369 0.01 1 229 64 63 GLY C C 174.108 0.05 1 230 64 63 GLY CA C 45.324 0.1 1 231 64 63 GLY N N 110.388 0.05 1 232 65 64 ILE H H 7.967 0.01 1 233 65 64 ILE C C 176.769 0.05 1 234 65 64 ILE CA C 61.368 0.1 1 235 65 64 ILE N N 119.714 0.05 1 236 66 65 GLY H H 8.416 0.01 1 237 66 65 GLY C C 174.168 0.05 1 238 66 65 GLY CA C 45.366 0.1 1 239 66 65 GLY N N 112.312 0.05 1 240 67 66 GLU H H 8.145 0.01 1 241 67 66 GLU C C 176.272 0.05 1 242 67 66 GLU CA C 56.738 0.1 1 243 67 66 GLU N N 120.573 0.05 1 244 68 67 PHE H H 8.149 0.01 1 245 68 67 PHE C C 175.400 0.05 1 246 68 67 PHE CA C 57.933 0.1 1 247 68 67 PHE N N 120.254 0.05 1 248 69 68 PHE H H 7.993 0.01 1 249 69 68 PHE C C 175.087 0.05 1 250 69 68 PHE CA C 57.829 0.1 1 251 69 68 PHE N N 121.059 0.05 1 252 70 69 ARG H H 8.016 0.01 1 253 70 69 ARG C C 175.630 0.05 1 254 70 69 ARG CA C 55.939 0.1 1 255 70 69 ARG N N 122.629 0.05 1 256 71 70 LEU H H 8.188 0.01 1 257 71 70 LEU C C 177.068 0.05 1 258 71 70 LEU CA C 54.994 0.1 1 259 71 70 LEU N N 123.449 0.05 1 260 72 71 SER H H 8.369 0.01 1 261 72 71 SER CA C 56.290 0.1 1 262 72 71 SER N N 118.257 0.05 1 263 73 72 PRO C C 177.281 0.05 1 264 73 72 PRO CA C 63.596 0.1 1 265 74 73 LYS H H 8.339 0.01 1 266 74 73 LYS C C 176.852 0.05 1 267 74 73 LYS CA C 56.729 0.1 1 268 74 73 LYS N N 120.740 0.05 1 269 75 74 ASP H H 8.299 0.01 1 270 75 74 ASP C C 176.632 0.05 1 271 75 74 ASP CA C 54.999 0.1 1 272 75 74 ASP N N 121.241 0.05 1 273 76 75 SER H H 8.185 0.01 1 274 76 75 SER C C 174.913 0.05 1 275 76 75 SER CA C 59.043 0.1 1 276 76 75 SER N N 115.563 0.05 1 277 77 76 GLU H H 8.345 0.01 1 278 77 76 GLU C C 176.857 0.05 1 279 77 76 GLU CA C 57.014 0.1 1 280 77 76 GLU N N 122.318 0.05 1 281 78 77 LYS H H 8.113 0.01 1 282 78 77 LYS C C 176.869 0.05 1 283 78 77 LYS CA C 56.634 0.1 1 284 78 77 LYS N N 121.091 0.05 1 285 79 78 GLU H H 8.329 0.01 1 286 79 78 GLU C C 176.344 0.05 1 287 79 78 GLU CA C 56.811 0.1 1 288 79 78 GLU N N 120.987 0.05 1 289 80 79 ASN H H 8.386 0.01 1 290 80 79 ASN C C 174.947 0.05 1 291 80 79 ASN CA C 53.359 0.1 1 292 80 79 ASN N N 119.187 0.05 1 293 81 80 GLN H H 8.254 0.01 1 294 81 80 GLN C C 175.684 0.05 1 295 81 80 GLN CA C 55.708 0.1 1 296 81 80 GLN N N 120.583 0.05 1 297 82 81 ILE H H 8.275 0.01 1 298 82 81 ILE CA C 58.826 0.1 1 299 82 81 ILE N N 124.113 0.05 1 300 83 82 PRO C C 177.049 0.05 1 301 83 82 PRO CA C 63.401 0.1 1 302 84 83 GLU H H 8.549 0.01 1 303 84 83 GLU C C 176.797 0.05 1 304 84 83 GLU CA C 56.970 0.1 1 305 84 83 GLU N N 121.392 0.05 1 306 85 84 GLU H H 8.463 0.01 1 307 85 84 GLU C C 176.436 0.05 1 308 85 84 GLU CA C 56.514 0.1 1 309 85 84 GLU N N 121.969 0.05 1 310 86 85 ALA H H 8.383 0.01 1 311 86 85 ALA C C 178.543 0.05 1 312 86 85 ALA CA C 53.012 0.1 1 313 86 85 ALA N N 125.529 0.05 1 314 87 86 GLY H H 8.419 0.01 1 315 87 86 GLY C C 174.674 0.05 1 316 87 86 GLY CA C 45.519 0.1 1 317 87 86 GLY N N 108.114 0.05 1 318 88 87 SER H H 8.220 0.01 1 319 88 87 SER C C 175.101 0.05 1 320 88 87 SER CA C 58.593 0.1 1 321 88 87 SER N N 115.553 0.05 1 322 89 88 SER H H 8.424 0.01 1 323 89 88 SER C C 175.219 0.05 1 324 89 88 SER CA C 58.854 0.1 1 325 89 88 SER N N 117.657 0.05 1 326 90 89 GLY H H 8.407 0.01 1 327 90 89 GLY C C 174.439 0.05 1 328 90 89 GLY CA C 45.558 0.1 1 329 90 89 GLY N N 110.607 0.05 1 330 91 90 LEU H H 8.113 0.01 1 331 91 90 LEU C C 178.225 0.05 1 332 91 90 LEU CA C 55.522 0.1 1 333 91 90 LEU N N 121.583 0.05 1 334 92 91 GLY H H 8.469 0.01 1 335 92 91 GLY C C 174.430 0.05 1 336 92 91 GLY CA C 45.582 0.1 1 337 92 91 GLY N N 109.549 0.05 1 338 93 92 LYS H H 8.091 0.01 1 339 93 92 LYS C C 176.594 0.05 1 340 93 92 LYS CA C 56.359 0.1 1 341 93 92 LYS N N 120.831 0.05 1 342 94 93 ALA H H 8.240 0.01 1 343 94 93 ALA C C 177.783 0.05 1 344 94 93 ALA CA C 52.609 0.1 1 345 94 93 ALA N N 124.584 0.05 1 346 95 94 LYS H H 8.242 0.01 1 347 95 94 LYS C C 176.624 0.05 1 348 95 94 LYS CA C 56.278 0.1 1 349 95 94 LYS N N 120.866 0.05 1 350 96 95 ARG H H 8.295 0.01 1 351 96 95 ARG C C 176.198 0.05 1 352 96 95 ARG CA C 56.039 0.1 1 353 96 95 ARG N N 122.670 0.05 1 354 97 96 LYS H H 8.403 0.01 1 355 97 96 LYS C C 176.121 0.05 1 356 97 96 LYS CA C 56.287 0.1 1 357 97 96 LYS N N 123.657 0.05 1 358 98 97 ALA H H 8.373 0.01 1 359 98 97 ALA C C 177.425 0.05 1 360 98 97 ALA CA C 52.311 0.1 1 361 98 97 ALA N N 126.030 0.05 1 362 99 98 SER H H 8.337 0.01 1 363 99 98 SER CA C 56.301 0.1 1 364 99 98 SER N N 116.976 0.05 1 365 100 99 PRO C C 176.810 0.05 1 366 100 99 PRO CA C 63.341 0.1 1 367 101 100 LEU H H 8.225 0.01 1 368 101 100 LEU C C 177.178 0.05 1 369 101 100 LEU CA C 55.227 0.1 1 370 101 100 LEU N N 121.497 0.05 1 371 102 101 GLN H H 8.229 0.01 1 372 102 101 GLN CA C 53.429 0.1 1 373 102 101 GLN N N 121.720 0.05 1 374 103 102 PRO C C 176.474 0.05 1 375 103 102 PRO CA C 63.290 0.1 1 376 104 103 ASP H H 8.415 0.01 1 377 104 103 ASP C C 176.192 0.05 1 378 104 103 ASP CA C 54.230 0.1 1 379 104 103 ASP N N 119.967 0.05 1 380 105 104 HIS H H 8.397 0.01 1 381 105 104 HIS C C 175.014 0.05 1 382 105 104 HIS CA C 55.658 0.1 1 383 105 104 HIS N N 119.124 0.05 1 384 106 105 THR H H 8.312 0.01 1 385 106 105 THR C C 174.581 0.05 1 386 106 105 THR CA C 62.666 0.1 1 387 106 105 THR N N 115.443 0.05 1 388 107 106 ASN H H 8.533 0.01 1 389 107 106 ASN C C 174.933 0.05 1 390 107 106 ASN CA C 53.416 0.1 1 391 107 106 ASN N N 120.387 0.05 1 392 108 107 ASP H H 8.234 0.01 1 393 108 107 ASP C C 176.214 0.05 1 394 108 107 ASP CA C 54.651 0.1 1 395 108 107 ASP N N 120.916 0.05 1 396 109 108 GLU H H 8.315 0.01 1 397 109 108 GLU C C 176.349 0.05 1 398 109 108 GLU CA C 56.625 0.1 1 399 109 108 GLU N N 120.859 0.05 1 400 110 109 LYS H H 8.290 0.01 1 401 110 109 LYS C C 175.706 0.05 1 402 110 109 LYS CA C 56.202 0.1 1 403 110 109 LYS N N 122.566 0.05 1 404 111 110 GLU H H 8.028 0.01 1 405 111 110 GLU CA C 58.101 0.1 1 406 111 110 GLU N N 127.239 0.05 1 stop_ save_