data_27647 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for phosphorylated KID domain (C90A, V118D) of CREB ; _BMRB_accession_number 27647 _BMRB_flat_file_name bmr27647.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 Dyson 'H. Jane' . . 3 Wright Peter E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 91 "13C chemical shifts" 276 "15N chemical shifts" 91 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 27648 'Kinase Inducible Domain 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 Phosphorylated-KID _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label phosphorylated-KID $phosphorylated-KID stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Phosphorylated Kinase Inducible Domain (KID) of CREB' save_ ######################## # Monomeric polymers # ######################## save_phosphorylated-KID _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common phosphorylated-KID _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function Activator DNA-binding stop_ _Details 'Phosphorylated pS108, pS111, pS114, pS117, pS156' ############################## # Polymer residue sequence # ############################## _Residue_count 77 _Mol_residue_sequence ; GTVQSSAKDLKRLFSGTQIS TIAEXEDXQEXVDXDTDSQK RREILSRRPSYRKILNDLSS DAPGVPRIEEEKXEEET ; 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 SEP 26 109 GLU 27 110 ASP 28 111 SEP 29 112 GLN 30 113 GLU 31 114 SEP 32 115 VAL 33 116 ASP 34 117 SEP 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 SEP 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_ ###################### # Polymer residues # ###################### save_chem_comp_SEP _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common PHOSPHOSERINE _BMRB_code SEP _PDB_code SEP _Standard_residue_derivative . _Molecular_mass 185.072 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? OG OG O . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HXT HXT H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB OG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING OG P ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $phosphorylated-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 $phosphorylated-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 'Phosphorylated KID with partial phosphorylation of T119 and S143.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $phosphorylated-KID 35 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]' $phosphorylated-KID 25 uM '[U-99% 13C; U-99% 15N]' $phosphorylated-KID 25 uM '[U-99% 13C; U-99% 15N]' 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 indirect . . . 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 phosphorylated-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 174.564 . . 2 85 2 THR CA C 61.983 . . 3 85 2 THR CB C 69.951 . . 4 86 3 VAL H H 8.294 . . 5 86 3 VAL C C 176.071 . . 6 86 3 VAL CA C 62.355 . . 7 86 3 VAL CB C 32.632 . . 8 86 3 VAL N N 123.147 . . 9 87 4 GLN H H 8.502 . . 10 87 4 GLN C C 175.942 . . 11 87 4 GLN CA C 55.763 . . 12 87 4 GLN CB C 29.300 . . 13 87 4 GLN N N 124.742 . . 14 88 5 SER H H 8.375 . . 15 88 5 SER C C 174.502 . . 16 88 5 SER CA C 58.379 . . 17 88 5 SER CB C 63.755 . . 18 88 5 SER N N 117.755 . . 19 89 6 SER H H 8.420 . . 20 89 6 SER C C 174.452 . . 21 89 6 SER CA C 58.251 . . 22 89 6 SER CB C 63.823 . . 23 89 6 SER N N 118.154 . . 24 90 7 ALA H H 8.304 . . 25 90 7 ALA C C 178.181 . . 26 90 7 ALA CA C 53.129 . . 27 90 7 ALA CB C 18.941 . . 28 90 7 ALA N N 125.814 . . 29 91 8 LYS H H 8.121 . . 30 91 8 LYS C C 176.616 . . 31 91 8 LYS CA C 56.878 . . 32 91 8 LYS CB C 32.781 . . 33 91 8 LYS N N 119.402 . . 34 92 9 ASP H H 8.082 . . 35 92 9 ASP C C 176.505 . . 36 92 9 ASP CA C 54.537 . . 37 92 9 ASP CB C 40.844 . . 38 92 9 ASP N N 120.484 . . 39 93 10 LEU H H 8.019 . . 40 93 10 LEU C C 177.782 . . 41 93 10 LEU CA C 55.799 . . 42 93 10 LEU CB C 42.045 . . 43 93 10 LEU N N 122.357 . . 44 94 11 LYS H H 8.102 . . 45 94 11 LYS C C 176.910 . . 46 94 11 LYS CA C 56.934 . . 47 94 11 LYS CB C 32.329 . . 48 94 11 LYS N N 120.334 . . 49 95 12 ARG H H 7.949 . . 50 95 12 ARG C C 176.222 . . 51 95 12 ARG CA C 56.483 . . 52 95 12 ARG CB C 30.441 . . 53 95 12 ARG N N 120.507 . . 54 96 13 LEU H H 8.004 . . 55 96 13 LEU C C 177.125 . . 56 96 13 LEU CA C 55.364 . . 57 96 13 LEU CB C 42.356 . . 58 96 13 LEU N N 122.162 . . 59 97 14 PHE H H 8.133 . . 60 97 14 PHE C C 175.777 . . 61 97 14 PHE CA C 57.633 . . 62 97 14 PHE CB C 39.446 . . 63 97 14 PHE N N 120.059 . . 64 98 15 SER H H 8.163 . . 65 98 15 SER C C 174.780 . . 66 98 15 SER CA C 58.303 . . 67 98 15 SER CB C 63.732 . . 68 98 15 SER N N 117.196 . . 69 99 16 GLY H H 8.008 . . 70 99 16 GLY C C 174.184 . . 71 99 16 GLY CA C 45.402 . . 72 99 16 GLY N N 110.398 . . 73 100 17 THR H H 8.005 . . 74 100 17 THR C C 174.392 . . 75 100 17 THR CA C 61.967 . . 76 100 17 THR CB C 69.630 . . 77 100 17 THR N N 113.526 . . 78 101 18 GLN H H 8.348 . . 79 101 18 GLN C C 175.618 . . 80 101 18 GLN CA C 55.576 . . 81 101 18 GLN CB C 29.275 . . 82 101 18 GLN N N 122.779 . . 83 102 19 ILE H H 8.145 . . 84 102 19 ILE C C 176.069 . . 85 102 19 ILE CA C 61.105 . . 86 102 19 ILE CB C 38.712 . . 87 102 19 ILE N N 122.094 . . 88 103 20 SER H H 8.321 . . 89 103 20 SER C C 174.520 . . 90 103 20 SER CA C 58.112 . . 91 103 20 SER CB C 63.801 . . 92 103 20 SER N N 119.549 . . 93 104 21 THR H H 8.129 . . 94 104 21 THR C C 174.215 . . 95 104 21 THR CA C 61.765 . . 96 104 21 THR CB C 69.588 . . 97 104 21 THR N N 116.215 . . 98 105 22 ILE H H 8.003 . . 99 105 22 ILE C C 175.488 . . 100 105 22 ILE CA C 60.910 . . 101 105 22 ILE CB C 38.770 . . 102 105 22 ILE N N 122.736 . . 103 106 23 ALA H H 8.315 . . 104 106 23 ALA C C 177.346 . . 105 106 23 ALA CA C 52.213 . . 106 106 23 ALA CB C 19.361 . . 107 106 23 ALA N N 128.578 . . 108 107 24 GLU H H 8.372 . . 109 107 24 GLU C C 176.497 . . 110 107 24 GLU CA C 56.712 . . 111 107 24 GLU CB C 30.267 . . 112 107 24 GLU N N 121.032 . . 113 108 25 SEP H H 8.537 . . 114 108 25 SEP C C 173.753 . . 115 108 25 SEP CA C 57.265 . . 116 108 25 SEP CB C 66.344 . . 117 108 25 SEP N N 116.138 . . 118 109 26 GLU H H 8.296 . . 119 109 26 GLU C C 175.763 . . 120 109 26 GLU CA C 56.063 . . 121 109 26 GLU CB C 30.220 . . 122 109 26 GLU N N 122.144 . . 123 110 27 ASP H H 8.294 . . 124 110 27 ASP C C 176.268 . . 125 110 27 ASP CA C 54.121 . . 126 110 27 ASP CB C 41.237 . . 127 110 27 ASP N N 121.869 . . 128 111 28 SEP H H 8.630 . . 129 111 28 SEP C C 174.070 . . 130 111 28 SEP CA C 57.628 . . 131 111 28 SEP CB C 66.348 . . 132 111 28 SEP N N 117.211 . . 133 112 29 GLN H H 8.375 . . 134 112 29 GLN C C 175.664 . . 135 112 29 GLN CA C 55.534 . . 136 112 29 GLN CB C 29.386 . . 137 112 29 GLN N N 121.614 . . 138 113 30 GLU H H 8.238 . . 139 113 30 GLU C C 176.260 . . 140 113 30 GLU CA C 56.472 . . 141 113 30 GLU CB C 30.210 . . 142 113 30 GLU N N 121.999 . . 143 114 31 SEP H H 8.619 . . 144 114 31 SEP C C 173.620 . . 145 114 31 SEP CA C 56.888 . . 146 114 31 SEP CB C 66.252 . . 147 114 31 SEP N N 117.467 . . 148 115 32 VAL H H 8.187 . . 149 115 32 VAL C C 175.511 . . 150 115 32 VAL CA C 61.854 . . 151 115 32 VAL CB C 33.090 . . 152 115 32 VAL N N 121.430 . . 153 116 33 ASP H H 8.361 . . 154 116 33 ASP C C 175.503 . . 155 116 33 ASP CA C 53.973 . . 156 116 33 ASP CB C 41.414 . . 157 116 33 ASP N N 124.375 . . 158 117 34 SEP H H 8.606 . . 159 117 34 SEP C C 174.094 . . 160 117 34 SEP CA C 57.843 . . 161 117 34 SEP CB C 66.258 . . 162 117 34 SEP N N 116.565 . . 163 118 35 ASP H H 8.459 . . 164 118 35 ASP C C 176.714 . . 165 118 35 ASP CA C 54.495 . . 166 118 35 ASP CB C 41.044 . . 167 118 35 ASP N N 122.457 . . 168 119 36 THR H H 8.043 . . 169 119 36 THR C C 175.003 . . 170 119 36 THR CA C 63.411 . . 171 119 36 THR CB C 69.161 . . 172 119 36 THR N N 115.133 . . 173 120 37 ASP H H 8.330 . . 174 120 37 ASP C C 176.941 . . 175 120 37 ASP CA C 55.138 . . 176 120 37 ASP CB C 41.004 . . 177 120 37 ASP N N 122.512 . . 178 121 38 SER H H 8.185 . . 179 121 38 SER C C 175.756 . . 180 121 38 SER CA C 59.987 . . 181 121 38 SER CB C 63.311 . . 182 121 38 SER N N 116.587 . . 183 122 39 GLN H H 8.317 . . 184 122 39 GLN C C 177.162 . . 185 122 39 GLN CA C 57.575 . . 186 122 39 GLN CB C 28.397 . . 187 122 39 GLN N N 121.553 . . 188 123 40 LYS H H 8.026 . . 189 123 40 LYS C C 177.591 . . 190 123 40 LYS CA C 57.739 . . 191 123 40 LYS CB C 32.422 . . 192 123 40 LYS N N 120.325 . . 193 124 41 ARG H H 8.029 . . 194 124 41 ARG C C 177.132 . . 195 124 41 ARG CA C 57.616 . . 196 124 41 ARG CB C 30.087 . . 197 124 41 ARG N N 119.879 . . 198 125 42 ARG H H 8.050 . . 199 125 42 ARG C C 177.353 . . 200 125 42 ARG CA C 57.534 . . 201 125 42 ARG CB C 30.251 . . 202 125 42 ARG N N 120.049 . . 203 126 43 GLU H H 8.165 . . 204 126 43 GLU C C 177.376 . . 205 126 43 GLU CA C 57.780 . . 206 126 43 GLU CB C 29.677 . . 207 126 43 GLU N N 120.902 . . 208 127 44 ILE H H 7.974 . . 209 127 44 ILE C C 177.269 . . 210 127 44 ILE CA C 62.488 . . 211 127 44 ILE CB C 38.310 . . 212 127 44 ILE N N 120.863 . . 213 128 45 LEU H H 8.110 . . 214 128 45 LEU C C 177.927 . . 215 128 45 LEU CA C 56.080 . . 216 128 45 LEU CB C 41.988 . . 217 128 45 LEU N N 123.132 . . 218 129 46 SER H H 7.967 . . 219 129 46 SER C C 174.394 . . 220 129 46 SER CA C 59.050 . . 221 129 46 SER CB C 63.474 . . 222 129 46 SER N N 114.694 . . 223 130 47 ARG H H 7.880 . . 224 130 47 ARG C C 175.996 . . 225 130 47 ARG CA C 55.990 . . 226 130 47 ARG CB C 30.723 . . 227 130 47 ARG N N 121.620 . . 228 131 48 ARG H H 8.105 . . 229 131 48 ARG C C 174.257 . . 230 131 48 ARG CA C 54.139 . . 231 131 48 ARG CB C 30.107 . . 232 131 48 ARG N N 122.665 . . 233 132 49 PRO C C 176.823 . . 234 133 50 SER H H 8.254 . . 235 133 50 SER C C 174.352 . . 236 133 50 SER CA C 58.265 . . 237 133 50 SER CB C 63.579 . . 238 133 50 SER N N 115.059 . . 239 134 51 TYR H H 8.054 . . 240 134 51 TYR C C 175.481 . . 241 134 51 TYR CA C 58.091 . . 242 134 51 TYR CB C 38.669 . . 243 134 51 TYR N N 122.270 . . 244 135 52 ARG H H 7.983 . . 245 135 52 ARG C C 175.503 . . 246 135 52 ARG CA C 56.039 . . 247 135 52 ARG CB C 30.927 . . 248 135 52 ARG N N 122.415 . . 249 136 53 LYS H H 8.139 . . 250 136 53 LYS C C 176.214 . . 251 136 53 LYS CA C 56.572 . . 252 136 53 LYS CB C 32.852 . . 253 136 53 LYS N N 122.793 . . 254 137 54 ILE H H 8.070 . . 255 137 54 ILE C C 176.046 . . 256 137 54 ILE CA C 61.030 . . 257 137 54 ILE CB C 38.546 . . 258 137 54 ILE N N 122.495 . . 259 138 55 LEU H H 8.206 . . 260 138 55 LEU C C 176.841 . . 261 138 55 LEU CA C 55.149 . . 262 138 55 LEU CB C 42.175 . . 263 138 55 LEU N N 125.754 . . 264 139 56 ASN H H 8.276 . . 265 139 56 ASN C C 174.643 . . 266 139 56 ASN CA C 53.356 . . 267 139 56 ASN CB C 38.956 . . 268 139 56 ASN N N 119.177 . . 269 140 57 ASP H H 8.218 . . 270 140 57 ASP C C 176.218 . . 271 140 57 ASP CA C 54.314 . . 272 140 57 ASP CB C 40.954 . . 273 140 57 ASP N N 120.410 . . 274 141 58 LEU H H 8.154 . . 275 141 58 LEU C C 177.644 . . 276 141 58 LEU CA C 55.425 . . 277 141 58 LEU CB C 42.012 . . 278 141 58 LEU N N 122.308 . . 279 142 59 SER H H 8.232 . . 280 142 59 SER C C 174.704 . . 281 142 59 SER CA C 58.640 . . 282 142 59 SER CB C 63.655 . . 283 142 59 SER N N 116.127 . . 284 143 60 SER H H 8.201 . . 285 143 60 SER C C 174.046 . . 286 143 60 SER CA C 58.482 . . 287 143 60 SER CB C 63.726 . . 288 143 60 SER N N 117.407 . . 289 144 61 ASP H H 8.197 . . 290 144 61 ASP C C 175.365 . . 291 144 61 ASP CA C 54.070 . . 292 144 61 ASP CB C 41.086 . . 293 144 61 ASP N N 121.887 . . 294 145 62 ALA H H 8.014 . . 295 145 62 ALA C C 175.243 . . 296 145 62 ALA CA C 50.463 . . 297 145 62 ALA CB C 18.232 . . 298 145 62 ALA N N 124.974 . . 299 146 63 PRO C C 177.587 . . 300 147 64 GLY H H 8.372 . . 301 147 64 GLY C C 173.721 . . 302 147 64 GLY CA C 45.073 . . 303 147 64 GLY N N 109.049 . . 304 148 65 VAL H H 7.816 . . 305 148 65 VAL C C 174.348 . . 306 148 65 VAL CA C 59.693 . . 307 148 65 VAL CB C 32.545 . . 308 148 65 VAL N N 120.770 . . 309 150 67 ARG H H 8.359 . . 310 150 67 ARG C C 176.168 . . 311 150 67 ARG CA C 55.859 . . 312 150 67 ARG CB C 31.009 . . 313 150 67 ARG N N 122.075 . . 314 151 68 ILE H H 8.230 . . 315 151 68 ILE C C 176.038 . . 316 151 68 ILE CA C 60.996 . . 317 151 68 ILE CB C 38.619 . . 318 151 68 ILE N N 123.141 . . 319 152 69 GLU H H 8.486 . . 320 152 69 GLU C C 176.054 . . 321 152 69 GLU CA C 56.388 . . 322 152 69 GLU CB C 30.147 . . 323 152 69 GLU N N 125.007 . . 324 153 70 GLU H H 8.346 . . 325 153 70 GLU C C 176.095 . . 326 153 70 GLU CA C 56.271 . . 327 153 70 GLU CB C 30.353 . . 328 153 70 GLU N N 122.010 . . 329 154 71 GLU H H 8.383 . . 330 154 71 GLU C C 175.969 . . 331 154 71 GLU CA C 56.252 . . 332 154 71 GLU CB C 30.081 . . 333 154 71 GLU N N 122.465 . . 334 155 72 LYS H H 8.329 . . 335 155 72 LYS C C 176.386 . . 336 155 72 LYS CA C 55.834 . . 337 155 72 LYS CB C 33.426 . . 338 155 72 LYS N N 123.136 . . 339 156 73 SEP H H 8.723 . . 340 156 73 SEP C C 173.876 . . 341 156 73 SEP CA C 57.424 . . 342 156 73 SEP CB C 66.270 . . 343 156 73 SEP N N 118.044 . . 344 157 74 GLU H H 8.350 . . 345 157 74 GLU C C 175.544 . . 346 157 74 GLU CA C 56.141 . . 347 157 74 GLU CB C 30.691 . . 348 157 74 GLU N N 122.086 . . 349 158 75 GLU H H 8.124 . . 350 158 75 GLU C C 176.214 . . 351 158 75 GLU CA C 56.408 . . 352 158 75 GLU CB C 30.649 . . 353 158 75 GLU N N 122.713 . . 354 159 76 GLU H H 8.430 . . 355 159 76 GLU C C 175.748 . . 356 159 76 GLU CA C 56.486 . . 357 159 76 GLU CB C 30.224 . . 358 159 76 GLU N N 122.832 . . 359 160 77 THR H H 7.817 . . 360 160 77 THR C C 179.130 . . 361 160 77 THR CA C 63.143 . . 362 160 77 THR CB C 70.613 . . 363 160 77 THR N N 120.754 . . stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details 'The residue 119 (36) THR is phosphorylated.' 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 phosphorylated-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 1 116 33 ASP H H 8.365 . . 2 116 33 ASP C C 175.534 . . 3 116 33 ASP CA C 54.059 . . 4 116 33 ASP CB C 41.389 . . 5 116 33 ASP N N 124.476 . . 6 117 34 SEP H H 8.551 . . 7 117 34 SEP C C 173.697 . . 8 117 34 SEP CA C 57.207 . . 9 117 34 SEP CB C 66.506 . . 10 117 34 SEP N N 116.394 . . 11 118 35 ASP H H 8.348 . . 12 118 35 ASP C C 176.535 . . 13 118 35 ASP CA C 54.125 . . 14 118 35 ASP CB C 41.291 . . 15 118 35 ASP N N 122.544 . . 16 119 36 THR H H 8.524 . . 17 119 36 THR C C 174.897 . . 18 119 36 THR CA C 62.860 . . 19 119 36 THR CB C 72.938 . . 20 119 36 THR N N 115.107 . . 21 120 37 ASP H H 8.408 . . 22 120 37 ASP C C 177.430 . . 23 120 37 ASP CA C 55.547 . . 24 120 37 ASP CB C 40.923 . . 25 120 37 ASP N N 122.306 . . 26 121 38 SER H H 8.259 . . 27 121 38 SER C C 176.033 . . 28 121 38 SER CA C 60.474 . . 29 121 38 SER CB C 62.981 . . 30 121 38 SER N N 117.085 . . 31 122 39 GLN H H 8.233 . . 32 122 39 GLN C C 177.369 . . 33 122 39 GLN CA C 57.698 . . 34 122 39 GLN CB C 28.448 . . 35 122 39 GLN N N 121.297 . . 36 123 40 LYS H H 7.974 . . 37 123 40 LYS C C 177.789 . . 38 123 40 LYS CA C 57.780 . . 39 123 40 LYS CB C 32.504 . . 40 123 40 LYS N N 119.919 . . 41 124 41 ARG H H 7.966 . . 42 124 41 ARG C C 177.269 . . 43 124 41 ARG CA C 57.862 . . 44 124 41 ARG CB C 30.161 . . 45 124 41 ARG N N 119.621 . . 46 125 42 ARG H H 8.023 . . 47 125 42 ARG C C 177.439 . . 48 125 42 ARG CA C 57.638 . . 49 125 42 ARG CB C 30.288 . . 50 125 42 ARG N N 119.907 . . 51 126 43 GLU H H 8.140 . . 52 126 43 GLU C C 177.445 . . 53 126 43 GLU CA C 57.780 . . 54 126 43 GLU CB C 29.698 . . 55 126 43 GLU N N 120.696 . . 56 127 44 ILE H H 7.916 . . 57 127 44 ILE C C 177.277 . . 58 127 44 ILE CA C 62.609 . . 59 127 44 ILE CB C 38.308 . . 60 127 44 ILE N N 120.640 . . 61 128 45 LEU H H 8.076 . . 62 128 45 LEU C C 177.927 . . 63 128 45 LEU CA C 55.998 . . 64 128 45 LEU CB C 42.029 . . 65 128 45 LEU N N 123.017 . . stop_ save_ save_assigned_chem_shift_list_3 _Saveframe_category assigned_chemical_shifts _Details 'The residue 143 (60) SER is phosphorylated.' 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 phosphorylated-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 1 140 57 ASP H H 8.224 . . 2 140 57 ASP C C 175.949 . . 3 140 57 ASP CA C 54.298 . . 4 140 57 ASP CB C 40.841 . . 5 140 57 ASP N N 120.232 . . 6 141 58 LEU H H 8.101 . . 7 141 58 LEU C C 177.292 . . 8 141 58 LEU CA C 55.056 . . 9 141 58 LEU CB C 42.111 . . 10 141 58 LEU N N 121.960 . . 11 142 59 SER H H 8.184 . . 12 142 59 SER C C 174.750 . . 13 142 59 SER CA C 58.330 . . 14 142 59 SER CB C 63.764 . . 15 142 59 SER N N 116.364 . . 16 143 60 SER H H 8.736 . . 17 143 60 SER C C 173.635 . . 18 143 60 SER CA C 57.657 . . 19 143 60 SER CB C 66.178 . . 20 143 60 SER N N 118.130 . . 21 144 61 ASP H H 8.258 . . 22 144 61 ASP C C 175.287 . . 23 144 61 ASP CA C 54.049 . . 24 144 61 ASP CB C 41.025 . . 25 144 61 ASP N N 121.662 . . 26 145 62 ALA H H 7.979 . . 27 145 62 ALA C C 175.297 . . 28 145 62 ALA CA C 50.512 . . 29 145 62 ALA CB C 18.260 . . 30 145 62 ALA N N 125.195 . . stop_ save_