data_27648 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for KID domain (C90A, V118D) of CREB ; _BMRB_accession_number 27648 _BMRB_flat_file_name bmr27648.str _Entry_type original _Submission_date 2018-10-12 _Accession_date 2018-10-12 _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 Shnitkind Sergey . . 2 Ellis Jamie P. . 3 Dyson 'H. Jane' . . 4 Wright Peter E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 72 "13C chemical shifts" 226 "15N chemical shifts" 72 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-24 update BMRB 'update entry citation' 2019-01-08 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27647 'Phosphorylated Kinase Inducible Domain (KID) of CREB' stop_ _Original_release_date 2018-10-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for graded inhibition of CREB:DNA interactions by multi-site phosphorylation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30507144 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shnitkind Sergey . . 2 Martinez-Yamout Maria A. . 3 Dyson 'H. Jane' . . 4 Wright Peter E. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 57 _Journal_issue 51 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6964 _Page_last 6972 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name KID _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label KID $KID stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Kinase Inducible Domain of CREB' save_ ######################## # Monomeric polymers # ######################## save_KID _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common KID _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function Activator DNA-binding stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 77 _Mol_residue_sequence ; GTVQSSAKDLKRLFSGTQIS TIAESEDSQESVDSDTDSQK RREILSRRPSYRKILNDLSS DAPGVPRIEEEKSEEET ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 84 GLY 2 85 THR 3 86 VAL 4 87 GLN 5 88 SER 6 89 SER 7 90 ALA 8 91 LYS 9 92 ASP 10 93 LEU 11 94 LYS 12 95 ARG 13 96 LEU 14 97 PHE 15 98 SER 16 99 GLY 17 100 THR 18 101 GLN 19 102 ILE 20 103 SER 21 104 THR 22 105 ILE 23 106 ALA 24 107 GLU 25 108 SER 26 109 GLU 27 110 ASP 28 111 SER 29 112 GLN 30 113 GLU 31 114 SER 32 115 VAL 33 116 ASP 34 117 SER 35 118 ASP 36 119 THR 37 120 ASP 38 121 SER 39 122 GLN 40 123 LYS 41 124 ARG 42 125 ARG 43 126 GLU 44 127 ILE 45 128 LEU 46 129 SER 47 130 ARG 48 131 ARG 49 132 PRO 50 133 SER 51 134 TYR 52 135 ARG 53 136 LYS 54 137 ILE 55 138 LEU 56 139 ASN 57 140 ASP 58 141 LEU 59 142 SER 60 143 SER 61 144 ASP 62 145 ALA 63 146 PRO 64 147 GLY 65 148 VAL 66 149 PRO 67 150 ARG 68 151 ILE 69 152 GLU 70 153 GLU 71 154 GLU 72 155 LYS 73 156 SER 74 157 GLU 75 158 GLU 76 159 GLU 77 160 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value SP P16220 CREB1 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $KID Rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $KID 'recombinant technology' . Escherichia coli 'BL21(DE3) [DNAY]' pET21a 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 $KID 60 uM '[U-99% 13C; U-99% 15N]' MES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _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_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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 pH 6.0 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' 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 KID _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 85 2 THR C C 174.539 . 1 2 85 2 THR CA C 61.869 . 1 3 85 2 THR CB C 69.977 . 1 4 86 3 VAL H H 8.293 . 1 5 86 3 VAL C C 176.072 . 1 6 86 3 VAL CA C 62.401 . 1 7 86 3 VAL CB C 32.601 . 1 8 86 3 VAL N N 123.217 . 1 9 87 4 GLN H H 8.504 . 1 10 87 4 GLN C C 175.928 . 1 11 87 4 GLN CA C 55.737 . 1 12 87 4 GLN CB C 29.338 . 1 13 87 4 GLN N N 124.849 . 1 14 88 5 SER H H 8.374 . 1 15 88 5 SER C C 174.484 . 1 16 88 5 SER CA C 58.346 . 1 17 88 5 SER CB C 63.775 . 1 18 88 5 SER N N 117.778 . 1 19 89 6 SER H H 8.405 . 1 20 89 6 SER C C 174.408 . 1 21 89 6 SER CA C 58.245 . 1 22 89 6 SER CB C 63.851 . 1 23 89 6 SER N N 118.130 . 1 24 90 7 ALA H H 8.291 . 1 25 90 7 ALA C C 178.082 . 1 26 90 7 ALA CA C 53.034 . 1 27 90 7 ALA CB C 18.886 . 1 28 90 7 ALA N N 125.880 . 1 29 91 8 LYS H H 8.120 . 1 30 91 8 LYS C C 176.478 . 1 31 91 8 LYS CA C 56.791 . 1 32 91 8 LYS CB C 32.773 . 1 33 91 8 LYS N N 119.438 . 1 34 92 9 ASP H H 8.081 . 1 35 92 9 ASP C C 176.417 . 1 36 92 9 ASP CA C 54.358 . 1 37 92 9 ASP CB C 40.883 . 1 38 92 9 ASP N N 120.556 . 1 39 93 10 LEU H H 8.032 . 1 40 93 10 LEU C C 177.694 . 1 41 93 10 LEU CA C 55.701 . 1 42 93 10 LEU CB C 42.090 . 1 43 93 10 LEU N N 122.583 . 1 44 94 11 LYS H H 8.126 . 1 45 94 11 LYS C C 176.767 . 1 46 94 11 LYS CA C 56.823 . 1 47 94 11 LYS CB C 32.305 . 1 48 94 11 LYS N N 120.509 . 1 49 95 12 ARG H H 7.965 . 1 50 95 12 ARG C C 176.112 . 1 51 95 12 ARG CA C 56.266 . 1 52 95 12 ARG CB C 30.485 . 1 53 95 12 ARG N N 120.796 . 1 54 96 13 LEU H H 8.028 . 1 55 96 13 LEU C C 177.044 . 1 56 96 13 LEU CA C 55.329 . 1 57 96 13 LEU CB C 42.356 . 1 58 96 13 LEU N N 122.403 . 1 59 97 14 PHE H H 8.149 . 1 60 97 14 PHE C C 175.724 . 1 61 97 14 PHE CA C 57.562 . 1 62 97 14 PHE CB C 39.455 . 1 63 97 14 PHE N N 120.246 . 1 64 98 15 SER H H 8.170 . 1 65 98 15 SER C C 174.709 . 1 66 98 15 SER CA C 58.236 . 1 67 98 15 SER CB C 63.780 . 1 68 98 15 SER N N 117.318 . 1 69 99 16 GLY H H 7.982 . 1 70 99 16 GLY C C 174.142 . 1 71 99 16 GLY CA C 45.383 . 1 72 99 16 GLY N N 110.384 . 1 73 100 17 THR H H 8.007 . 1 74 100 17 THR C C 174.404 . 1 75 100 17 THR CA C 62.006 . 1 76 100 17 THR CB C 69.666 . 1 77 100 17 THR N N 113.644 . 1 78 101 18 GLN H H 8.361 . 1 79 101 18 GLN C C 175.632 . 1 80 101 18 GLN CA C 55.678 . 1 81 101 18 GLN CB C 29.325 . 1 82 101 18 GLN N N 122.950 . 1 83 102 19 ILE H H 8.152 . 1 84 102 19 ILE C C 176.115 . 1 85 102 19 ILE CA C 61.108 . 1 86 102 19 ILE CB C 38.680 . 1 87 102 19 ILE N N 122.230 . 1 88 103 20 SER H H 8.334 . 1 89 103 20 SER C C 174.599 . 1 90 103 20 SER CA C 58.127 . 1 91 103 20 SER CB C 63.782 . 1 92 103 20 SER N N 119.682 . 1 93 104 21 THR H H 8.138 . 1 94 104 21 THR C C 174.372 . 1 95 104 21 THR CA C 61.804 . 1 96 104 21 THR CB C 69.592 . 1 97 104 21 THR N N 116.260 . 1 98 105 22 ILE H H 8.015 . 1 99 105 22 ILE C C 175.755 . 1 100 105 22 ILE CA C 61.080 . 1 101 105 22 ILE CB C 38.629 . 1 102 105 22 ILE N N 122.736 . 1 103 106 23 ALA H H 8.283 . 1 104 106 23 ALA C C 177.540 . 1 105 106 23 ALA CA C 52.459 . 1 106 106 23 ALA CB C 19.203 . 1 107 106 23 ALA N N 128.122 . 1 108 107 24 GLU H H 8.309 . 1 109 107 24 GLU C C 176.438 . 1 110 107 24 GLU CA C 56.688 . 1 111 107 24 GLU CB C 30.090 . 1 112 107 24 GLU N N 120.341 . 1 113 108 25 SER H H 8.225 . 1 114 108 25 SER C C 174.589 . 1 115 108 25 SER CA C 58.248 . 1 116 108 25 SER CB C 63.874 . 1 117 108 25 SER N N 116.133 . 1 118 109 26 GLU H H 8.450 . 1 119 109 26 GLU C C 176.178 . 1 120 109 26 GLU CA C 56.717 . 1 121 109 26 GLU CB C 30.081 . 1 122 109 26 GLU N N 122.794 . 1 123 110 27 ASP H H 8.288 . 1 124 110 27 ASP C C 176.245 . 1 125 110 27 ASP CA C 54.258 . 1 126 110 27 ASP CB C 41.063 . 1 127 110 27 ASP N N 120.982 . 1 128 111 28 SER H H 8.177 . 1 129 111 28 SER C C 174.685 . 1 130 111 28 SER CA C 58.395 . 1 131 111 28 SER CB C 63.668 . 1 132 111 28 SER N N 116.210 . 1 133 112 29 GLN H H 8.369 . 1 134 112 29 GLN C C 175.925 . 1 135 112 29 GLN CA C 55.826 . 1 136 112 29 GLN CB C 29.307 . 1 137 112 29 GLN N N 121.951 . 1 138 113 30 GLU H H 8.316 . 1 139 113 30 GLU C C 176.389 . 1 140 113 30 GLU CA C 56.686 . 1 141 113 30 GLU CB C 30.143 . 1 142 113 30 GLU N N 121.482 . 1 143 114 31 SER H H 8.298 . 1 144 114 31 SER C C 174.530 . 1 145 114 31 SER CA C 58.142 . 1 146 114 31 SER CB C 63.731 . 1 147 114 31 SER N N 117.009 . 1 148 115 32 VAL H H 8.133 . 1 149 115 32 VAL C C 175.857 . 1 150 115 32 VAL CA C 62.201 . 1 151 115 32 VAL CB C 32.579 . 1 152 115 32 VAL N N 121.470 . 1 153 116 33 ASP H H 8.329 . 1 154 116 33 ASP C C 176.209 . 1 155 116 33 ASP CA C 54.266 . 1 156 116 33 ASP CB C 41.104 . 1 157 116 33 ASP N N 123.489 . 1 158 117 34 SER H H 8.208 . 1 159 117 34 SER C C 174.517 . 1 160 117 34 SER CA C 58.575 . 1 161 117 34 SER CB C 63.737 . 1 162 117 34 SER N N 116.095 . 1 163 118 35 ASP H H 8.374 . 1 164 118 35 ASP C C 176.824 . 1 165 118 35 ASP CA C 54.529 . 1 166 118 35 ASP CB C 40.975 . 1 167 118 35 ASP N N 122.357 . 1 168 119 36 THR H H 8.065 . 1 169 119 36 THR C C 175.122 . 1 170 119 36 THR CA C 63.161 . 1 171 119 36 THR CB C 69.286 . 1 172 119 36 THR N N 114.468 . 1 173 120 37 ASP H H 8.286 . 1 174 120 37 ASP C C 177.145 . 1 175 120 37 ASP CA C 55.393 . 1 176 120 37 ASP CB C 40.999 . 1 177 120 37 ASP N N 122.478 . 1 178 121 38 SER H H 8.202 . 1 179 121 38 SER C C 175.776 . 1 180 121 38 SER CA C 60.111 . 1 181 121 38 SER CB C 63.234 . 1 182 121 38 SER N N 116.415 . 1 183 122 39 GLN H H 8.230 . 1 184 122 39 GLN C C 177.144 . 1 185 122 39 GLN CA C 57.494 . 1 186 122 39 GLN CB C 28.412 . 1 187 122 39 GLN N N 121.459 . 1 188 123 40 LYS H H 7.998 . 1 189 123 40 LYS C C 177.570 . 1 190 123 40 LYS CA C 57.509 . 1 191 123 40 LYS CB C 32.276 . 1 192 123 40 LYS N N 120.275 . 1 193 124 41 ARG H H 8.001 . 1 194 124 41 ARG C C 177.091 . 1 195 124 41 ARG CA C 57.513 . 1 196 124 41 ARG CB C 30.195 . 1 197 124 41 ARG N N 119.893 . 1 198 125 42 ARG H H 8.043 . 1 199 125 42 ARG C C 177.300 . 1 200 125 42 ARG CA C 57.520 . 1 201 125 42 ARG CB C 30.346 . 1 202 125 42 ARG N N 120.250 . 1 203 126 43 GLU H H 8.181 . 1 204 126 43 GLU C C 177.353 . 1 205 126 43 GLU CA C 57.584 . 1 206 126 43 GLU CB C 29.782 . 1 207 126 43 GLU N N 121.125 . 1 208 127 44 ILE H H 7.989 . 1 209 127 44 ILE C C 177.233 . 1 210 127 44 ILE CA C 62.395 . 1 211 127 44 ILE CB C 38.251 . 1 212 127 44 ILE N N 121.016 . 1 213 128 45 LEU H H 8.094 . 1 214 128 45 LEU C C 177.871 . 1 215 128 45 LEU CA C 55.943 . 1 216 128 45 LEU CB C 41.920 . 1 217 128 45 LEU N N 123.376 . 1 218 129 46 SER H H 7.984 . 1 219 129 46 SER C C 174.360 . 1 220 129 46 SER CA C 58.866 . 1 221 129 46 SER CB C 63.505 . 1 222 129 46 SER N N 114.928 . 1 223 130 47 ARG H H 7.880 . 1 224 130 47 ARG C C 175.964 . 1 225 130 47 ARG CA C 55.945 . 1 226 130 47 ARG CB C 30.608 . 1 227 130 47 ARG N N 121.722 . 1 228 131 48 ARG H H 8.111 . 1 229 131 48 ARG C C 174.248 . 1 230 131 48 ARG CA C 54.114 . 1 231 131 48 ARG CB C 30.136 . 1 232 131 48 ARG N N 122.790 . 1 233 132 49 PRO C C 176.773 . 1 234 132 49 PRO CA C 63.364 . 1 235 132 49 PRO CB C 31.950 . 1 236 133 50 SER H H 8.250 . 1 237 133 50 SER C C 174.269 . 1 238 133 50 SER CA C 58.231 . 1 239 133 50 SER CB C 63.624 . 1 240 133 50 SER N N 115.127 . 1 241 134 51 TYR H H 8.044 . 1 242 134 51 TYR C C 175.401 . 1 243 134 51 TYR CA C 57.972 . 1 244 134 51 TYR CB C 38.655 . 1 245 134 51 TYR N N 122.217 . 1 246 135 52 ARG H H 7.983 . 1 247 135 52 ARG C C 175.419 . 1 248 135 52 ARG CA C 55.892 . 1 249 135 52 ARG CB C 30.837 . 1 250 135 52 ARG N N 122.648 . 1 251 136 53 LYS H H 8.158 . 1 252 136 53 LYS C C 176.161 . 1 253 136 53 LYS CA C 56.504 . 1 254 136 53 LYS CB C 32.882 . 1 255 136 53 LYS N N 123.019 . 1 256 137 54 ILE H H 8.091 . 1 257 137 54 ILE C C 176.012 . 1 258 137 54 ILE CA C 61.005 . 1 259 137 54 ILE CB C 38.413 . 1 260 137 54 ILE N N 122.677 . 1 261 138 55 LEU H H 8.216 . 1 262 138 55 LEU C C 176.821 . 1 263 138 55 LEU CA C 55.146 . 1 264 138 55 LEU CB C 42.200 . 1 265 138 55 LEU N N 125.843 . 1 266 139 56 ASN H H 8.283 . 1 267 139 56 ASN C C 174.615 . 1 268 139 56 ASN CA C 53.255 . 1 269 139 56 ASN CB C 38.820 . 1 270 139 56 ASN N N 119.122 . 1 271 140 57 ASP H H 8.208 . 1 272 140 57 ASP C C 176.187 . 1 273 140 57 ASP CA C 54.243 . 1 274 140 57 ASP CB C 40.951 . 1 275 140 57 ASP N N 120.317 . 1 276 141 58 LEU H H 8.158 . 1 277 141 58 LEU C C 177.612 . 1 278 141 58 LEU CA C 55.358 . 1 279 141 58 LEU CB C 42.000 . 1 280 141 58 LEU N N 122.290 . 1 281 142 59 SER H H 8.233 . 1 282 142 59 SER C C 174.724 . 1 283 142 59 SER CA C 58.532 . 1 284 142 59 SER CB C 63.790 . 1 285 142 59 SER N N 116.153 . 1 286 143 60 SER H H 8.200 . 1 287 143 60 SER C C 174.036 . 1 288 143 60 SER CA C 58.438 . 1 289 143 60 SER CB C 63.735 . 1 290 143 60 SER N N 117.390 . 1 291 144 61 ASP H H 8.196 . 1 292 144 61 ASP C C 175.360 . 1 293 144 61 ASP CA C 54.102 . 1 294 144 61 ASP CB C 41.059 . 1 295 144 61 ASP N N 121.873 . 1 296 145 62 ALA H H 8.009 . 1 297 145 62 ALA C C 175.211 . 1 298 145 62 ALA CA C 50.456 . 1 299 145 62 ALA CB C 18.242 . 1 300 145 62 ALA N N 124.946 . 1 301 146 63 PRO C C 177.576 . 1 302 146 63 PRO CA C 63.269 . 1 303 146 63 PRO CB C 31.871 . 1 304 147 64 GLY H H 8.376 . 1 305 147 64 GLY C C 173.731 . 1 306 147 64 GLY CA C 45.073 . 1 307 147 64 GLY N N 109.074 . 1 308 148 65 VAL H H 7.799 . 1 309 148 65 VAL C C 174.354 . 1 310 148 65 VAL CA C 59.732 . 1 311 148 65 VAL CB C 32.497 . 1 312 148 65 VAL N N 120.761 . 1 313 149 66 PRO C C 176.475 . 1 314 149 66 PRO CA C 63.046 . 1 315 149 66 PRO CB C 31.966 . 1 316 150 67 ARG H H 8.358 . 1 317 150 67 ARG C C 176.155 . 1 318 150 67 ARG CA C 55.655 . 1 319 150 67 ARG CB C 30.843 . 1 320 150 67 ARG N N 122.093 . 1 321 151 68 ILE H H 8.222 . 1 322 151 68 ILE C C 176.093 . 1 323 151 68 ILE CA C 61.026 . 1 324 151 68 ILE CB C 38.519 . 1 325 151 68 ILE N N 123.061 . 1 326 152 69 GLU H H 8.490 . 1 327 152 69 GLU C C 176.113 . 1 328 152 69 GLU CA C 56.394 . 1 329 152 69 GLU CB C 30.117 . 1 330 152 69 GLU N N 124.945 . 1 331 153 70 GLU H H 8.341 . 1 332 153 70 GLU C C 176.165 . 1 333 153 70 GLU CA C 56.434 . 1 334 153 70 GLU CB C 30.297 . 1 335 153 70 GLU N N 122.085 . 1 336 154 71 GLU H H 8.384 . 1 337 154 71 GLU C C 176.114 . 1 338 154 71 GLU CA C 56.496 . 1 339 154 71 GLU CB C 30.178 . 1 340 154 71 GLU N N 122.396 . 1 341 155 72 LYS H H 8.327 . 1 342 155 72 LYS C C 176.347 . 1 343 155 72 LYS CA C 55.934 . 1 344 155 72 LYS CB C 33.150 . 1 345 155 72 LYS N N 123.162 . 1 346 156 73 SER H H 8.420 . 1 347 156 73 SER C C 174.630 . 1 348 156 73 SER CA C 58.209 . 1 349 156 73 SER CB C 63.850 . 1 350 156 73 SER N N 118.069 . 1 351 157 74 GLU H H 8.502 . 1 352 157 74 GLU C C 176.303 . 1 353 157 74 GLU CA C 56.586 . 1 354 157 74 GLU CB C 30.087 . 1 355 157 74 GLU N N 122.870 . 1 356 158 75 GLU H H 8.322 . 1 357 158 75 GLU C C 176.204 . 1 358 158 75 GLU CA C 56.461 . 1 359 158 75 GLU CB C 30.195 . 1 360 158 75 GLU N N 121.112 . 1 361 159 76 GLU H H 8.325 . 1 362 159 76 GLU C C 175.715 . 1 363 159 76 GLU CA C 56.518 . 1 364 159 76 GLU CB C 30.226 . 1 365 159 76 GLU N N 122.410 . 1 366 160 77 THR H H 7.782 . 1 367 160 77 THR C C 179.117 . 1 368 160 77 THR CA C 63.182 . 1 369 160 77 THR CB C 70.602 . 1 370 160 77 THR N N 120.567 . 1 stop_ save_