data_16918 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Mg(2+)-bound receiver domain of sensor histidine kinase CKI1RD of Arabidopsis thaliana ; _BMRB_accession_number 16918 _BMRB_flat_file_name bmr16918.str _Entry_type original _Submission_date 2010-05-10 _Accession_date 2010-05-10 _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 Pekarova Blanka . . 2 Klumpler Tomas . . 3 Triskova Olga . . 4 Horak Jakub . . 5 Jansen Severine . . 6 Dopitova Radka . . 7 Motackova Veronika . . 8 Nejedla Eliska . . 9 Zidek Lukas . . 10 Marek Jaromir . . 11 Sklenar Vladimir . . 12 Hejatko Jan . . 13 Janda Lubomir . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 S2_parameters 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 161 "13C chemical shifts" 325 "15N chemical shifts" 161 "chemical shift anisotropy values" 97 "order parameters" 97 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-01-22 update author 'update assignment and add relaxation data' 2012-03-13 update BMRB 'update entry citation' 2011-05-23 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16917 CKI1RD stop_ _Original_release_date 2016-02-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure and binding specificity of the receiver domain of sensor histidine kinase CKI1 from Arabidopsis thaliana. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21569135 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pekarova Blanka . . 2 Klumpler Toma . . 3 Tiskova Olga . . 4 Horak Jakub . . 5 Jansen Severine . . 6 Dopitova Radka . . 7 Borkovcova Petra . . 8 Papoukova Veronika . . 9 Nejedla Elika . . 10 Sklena Vladimir . . 11 Marek Jaromir . . 12 Zidek Luka . . 13 Hejatko Jan . . 14 Janda Lubomir . . stop_ _Journal_abbreviation 'Plant J.' _Journal_name_full 'The Plant journal : for cell and molecular biology' _Journal_volume 67 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 827 _Page_last 839 _Year 2011 _Details . loop_ _Keyword CKI1 'NMR analysis' 'crystal structure' 'protein-protein interaction' 'receiver domain' 'signal transduction' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CKI1RD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CKI1RD $CKI1RD MG $MG stop_ _System_molecular_weight 23184.0 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CKI1RD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CKI1RD _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 207 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MASTDSESETRVKSVRTGRK PIGNPEDEQETSKPSDDEFL RGKRVLVVDDNFISRKVATG KLKKMGVSEVEQCDSGKEAL RLVTEGLTQREEQGSVDKLP FDYIFMDCQMPEMDGYEATR EIRKVEKSYGVRTPIIAVSG HDPGSEEARETIQAGMDAFL DKSLNQLANVIREIESKRHL EHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 SER 12 SER 13 GLY 14 LEU 15 VAL 16 PRO 17 ARG 18 GLY 19 SER 20 HIS 21 MET 22 ALA 23 SER 24 THR 25 ASP 26 SER 27 GLU 28 SER 29 GLU 30 THR 31 ARG 32 VAL 33 LYS 34 SER 35 VAL 36 ARG 37 THR 38 GLY 39 ARG 40 LYS 41 PRO 42 ILE 43 GLY 44 ASN 45 PRO 46 GLU 47 ASP 48 GLU 49 GLN 50 GLU 51 THR 52 SER 53 LYS 54 PRO 55 SER 56 ASP 57 ASP 58 GLU 59 PHE 60 LEU 61 ARG 62 GLY 63 LYS 64 ARG 65 VAL 66 LEU 67 VAL 68 VAL 69 ASP 70 ASP 71 ASN 72 PHE 73 ILE 74 SER 75 ARG 76 LYS 77 VAL 78 ALA 79 THR 80 GLY 81 LYS 82 LEU 83 LYS 84 LYS 85 MET 86 GLY 87 VAL 88 SER 89 GLU 90 VAL 91 GLU 92 GLN 93 CYS 94 ASP 95 SER 96 GLY 97 LYS 98 GLU 99 ALA 100 LEU 101 ARG 102 LEU 103 VAL 104 THR 105 GLU 106 GLY 107 LEU 108 THR 109 GLN 110 ARG 111 GLU 112 GLU 113 GLN 114 GLY 115 SER 116 VAL 117 ASP 118 LYS 119 LEU 120 PRO 121 PHE 122 ASP 123 TYR 124 ILE 125 PHE 126 MET 127 ASP 128 CYS 129 GLN 130 MET 131 PRO 132 GLU 133 MET 134 ASP 135 GLY 136 TYR 137 GLU 138 ALA 139 THR 140 ARG 141 GLU 142 ILE 143 ARG 144 LYS 145 VAL 146 GLU 147 LYS 148 SER 149 TYR 150 GLY 151 VAL 152 ARG 153 THR 154 PRO 155 ILE 156 ILE 157 ALA 158 VAL 159 SER 160 GLY 161 HIS 162 ASP 163 PRO 164 GLY 165 SER 166 GLU 167 GLU 168 ALA 169 ARG 170 GLU 171 THR 172 ILE 173 GLN 174 ALA 175 GLY 176 MET 177 ASP 178 ALA 179 PHE 180 LEU 181 ASP 182 LYS 183 SER 184 LEU 185 ASN 186 GLN 187 LEU 188 ALA 189 ASN 190 VAL 191 ILE 192 ARG 193 GLU 194 ILE 195 GLU 196 SER 197 LYS 198 ARG 199 HIS 200 LEU 201 GLU 202 HIS 203 HIS 204 HIS 205 HIS 206 HIS 207 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_MG _Saveframe_category ligand _Mol_type non-polymer _Name_common "MG (MAGNESIUM ION)" _BMRB_code . _PDB_code MG _Molecular_mass 24.305 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:08:25 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons MG MG MG . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CKI1RD 'thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $CKI1RD 'recombinant technology' . Escherichia coli . pGBKT7-DEST 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 $CKI1RD 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % '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_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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' 171 . mM pH 7.5 . 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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 'liquid anhydrous ammonia' N 15 nitrogen ppm 0 internal direct . . . 1.0 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 HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' 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 CKI1RD _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 13 13 GLY H H 8.286 . 1 2 13 13 GLY CA C 45.358 . 1 3 13 13 GLY N N 114.411 . 1 4 14 14 LEU H H 8.013 . 1 5 14 14 LEU CA C 55.180 . 1 6 14 14 LEU CB C 42.393 . 1 7 14 14 LEU N N 121.492 . 1 8 15 15 VAL H H 8.066 . 1 9 15 15 VAL CA C 59.825 . 1 10 15 15 VAL CB C 32.598 . 1 11 15 15 VAL N N 122.545 . 1 12 21 21 MET CA C 55.367 . 1 13 21 21 MET CB C 32.919 . 1 14 22 22 ALA H H 8.301 . 1 15 22 22 ALA CA C 52.492 . 1 16 22 22 ALA CB C 19.362 . 1 17 22 22 ALA N N 125.326 . 1 18 23 23 SER H H 8.345 . 1 19 23 23 SER CA C 58.362 . 1 20 23 23 SER CB C 63.898 . 1 21 23 23 SER N N 115.432 . 1 22 24 24 THR CA C 61.900 . 1 23 24 24 THR CB C 69.731 . 1 24 25 25 ASP H H 8.324 . 1 25 25 25 ASP CA C 54.576 . 1 26 25 25 ASP CB C 41.189 . 1 27 25 25 ASP N N 122.571 . 1 28 26 26 SER H H 8.296 . 1 29 26 26 SER CA C 58.987 . 1 30 26 26 SER CB C 63.796 . 1 31 26 26 SER N N 116.377 . 1 32 27 27 GLU H H 8.441 . 1 33 27 27 GLU CA C 57.123 . 1 34 27 27 GLU CB C 29.981 . 1 35 27 27 GLU N N 122.669 . 1 36 28 28 SER H H 8.203 . 1 37 28 28 SER CA C 59.148 . 1 38 28 28 SER CB C 63.703 . 1 39 28 28 SER N N 115.925 . 1 40 29 29 GLU H H 8.345 . 1 41 29 29 GLU CA C 57.171 . 1 42 29 29 GLU CB C 30.168 . 1 43 29 29 GLU N N 122.499 . 1 44 30 30 THR H H 8.111 . 1 45 30 30 THR CA C 62.599 . 1 46 30 30 THR CB C 69.510 . 1 47 30 30 THR N N 114.606 . 1 48 31 31 ARG H H 8.197 . 1 49 31 31 ARG CA C 56.659 . 1 50 31 31 ARG CB C 30.704 . 1 51 31 31 ARG N N 123.508 . 1 52 32 32 VAL H H 8.068 . 1 53 32 32 VAL CA C 62.701 . 1 54 32 32 VAL CB C 32.638 . 1 55 32 32 VAL N N 120.899 . 1 56 33 33 LYS H H 8.341 . 1 57 33 33 LYS CA C 56.624 . 1 58 33 33 LYS CB C 30.854 . 1 59 33 33 LYS N N 124.927 . 1 60 34 34 SER CA C 58.293 . 1 61 34 34 SER CB C 63.792 . 1 62 35 35 VAL H H 8.154 . 1 63 35 35 VAL CA C 62.359 . 1 64 35 35 VAL CB C 32.711 . 1 65 35 35 VAL N N 121.837 . 1 66 41 41 PRO CA C 63.048 . 1 67 41 41 PRO CB C 31.962 . 1 68 42 42 ILE H H 8.194 . 1 69 42 42 ILE CA C 61.265 . 1 70 42 42 ILE CB C 38.915 . 1 71 42 42 ILE N N 120.976 . 1 72 43 43 GLY H H 8.407 . 1 73 43 43 GLY CA C 44.984 . 1 74 43 43 GLY N N 112.616 . 1 75 44 44 ASN H H 8.395 . 1 76 44 44 ASN CA C 51.313 . 1 77 44 44 ASN CB C 38.806 . 1 78 44 44 ASN N N 120.131 . 1 79 45 45 PRO CA C 64.125 . 1 80 45 45 PRO CB C 32.017 . 1 81 46 46 GLU H H 8.543 . 1 82 46 46 GLU CA C 57.157 . 1 83 46 46 GLU CB C 29.738 . 1 84 46 46 GLU N N 119.106 . 1 85 47 47 ASP H H 8.062 . 1 86 47 47 ASP CA C 54.718 . 1 87 47 47 ASP CB C 41.196 . 1 88 47 47 ASP N N 120.365 . 1 89 48 48 GLU H H 8.149 . 1 90 48 48 GLU CA C 56.776 . 1 91 48 48 GLU CB C 30.163 . 1 92 48 48 GLU N N 121.021 . 1 93 49 49 GLN H H 8.319 . 1 94 49 49 GLN CA C 55.931 . 1 95 49 49 GLN CB C 29.581 . 1 96 49 49 GLN N N 120.775 . 1 97 50 50 GLU H H 8.455 . 1 98 50 50 GLU CA C 56.818 . 1 99 50 50 GLU CB C 30.285 . 1 100 50 50 GLU N N 122.146 . 1 101 51 51 THR H H 8.198 . 1 102 51 51 THR CA C 61.931 . 1 103 51 51 THR CB C 69.832 . 1 104 51 51 THR N N 115.059 . 1 105 52 52 SER H H 8.295 . 1 106 52 52 SER CA C 58.325 . 1 107 52 52 SER CB C 63.904 . 1 108 52 52 SER N N 118.450 . 1 109 53 53 LYS H H 8.312 . 1 110 53 53 LYS CA C 54.204 . 1 111 53 53 LYS CB C 32.547 . 1 112 53 53 LYS N N 124.371 . 1 113 54 54 PRO CA C 63.188 . 1 114 54 54 PRO CB C 32.121 . 1 115 55 55 SER H H 8.428 . 1 116 55 55 SER CA C 58.339 . 1 117 55 55 SER CB C 64.111 . 1 118 55 55 SER N N 116.034 . 1 119 56 56 ASP H H 8.413 . 1 120 56 56 ASP CA C 55.161 . 1 121 56 56 ASP CB C 40.973 . 1 122 56 56 ASP N N 122.886 . 1 123 57 57 ASP H H 8.171 . 1 124 57 57 ASP CA C 54.694 . 1 125 57 57 ASP CB C 41.523 . 1 126 57 57 ASP N N 119.088 . 1 127 58 58 GLU H H 8.109 . 1 128 58 58 GLU CA C 56.726 . 1 129 58 58 GLU CB C 29.595 . 1 130 58 58 GLU N N 120.020 . 1 131 59 59 PHE H H 7.775 . 1 132 59 59 PHE CA C 59.806 . 1 133 59 59 PHE CB C 39.314 . 1 134 59 59 PHE N N 118.737 . 1 135 60 60 LEU H H 8.172 . 1 136 60 60 LEU CA C 54.295 . 1 137 60 60 LEU CB C 42.048 . 1 138 60 60 LEU N N 117.627 . 1 139 61 61 ARG H H 7.374 . 1 140 61 61 ARG CA C 57.886 . 1 141 61 61 ARG CB C 29.674 . 1 142 61 61 ARG N N 119.986 . 1 143 62 62 GLY H H 8.612 . 1 144 62 62 GLY CA C 45.810 . 1 145 62 62 GLY N N 112.921 . 1 146 63 63 LYS H H 7.787 . 1 147 63 63 LYS CA C 54.291 . 1 148 63 63 LYS CB C 32.856 . 1 149 63 63 LYS N N 118.167 . 1 150 64 64 ARG H H 9.882 . 1 151 64 64 ARG CA C 55.109 . 1 152 64 64 ARG CB C 31.902 . 1 153 64 64 ARG N N 122.765 . 1 154 65 65 VAL H H 8.773 . 1 155 65 65 VAL CA C 58.833 . 1 156 65 65 VAL CB C 35.842 . 1 157 65 65 VAL N N 118.621 . 1 158 66 66 LEU H H 7.889 . 1 159 66 66 LEU CA C 52.677 . 1 160 66 66 LEU CB C 44.057 . 1 161 66 66 LEU N N 124.402 . 1 162 67 67 VAL H H 8.905 . 1 163 67 67 VAL CA C 62.104 . 1 164 67 67 VAL CB C 33.591 . 1 165 67 67 VAL N N 127.536 . 1 166 68 68 VAL H H 8.686 . 1 167 68 68 VAL CA C 59.965 . 1 168 68 68 VAL CB C 32.874 . 1 169 68 68 VAL N N 128.107 . 1 170 69 69 ASP H H 8.058 . 1 171 69 69 ASP CA C 55.312 . 1 172 69 69 ASP CB C 43.173 . 1 173 69 69 ASP N N 123.908 . 1 174 70 70 ASP H H 8.985 . 1 175 70 70 ASP CA C 55.517 . 1 176 70 70 ASP CB C 40.740 . 1 177 70 70 ASP N N 124.831 . 1 178 71 71 ASN H H 9.661 . 1 179 71 71 ASN CA C 52.787 . 1 180 71 71 ASN CB C 41.136 . 1 181 71 71 ASN N N 123.232 . 1 182 72 72 PHE H H 8.943 . 1 183 72 72 PHE CA C 61.420 . 1 184 72 72 PHE CB C 39.313 . 1 185 72 72 PHE N N 127.465 . 1 186 73 73 ILE H H 7.757 . 1 187 73 73 ILE CA C 64.155 . 1 188 73 73 ILE CB C 36.662 . 1 189 73 73 ILE N N 120.064 . 1 190 74 74 SER H H 7.840 . 1 191 74 74 SER CA C 61.676 . 1 192 74 74 SER CB C 58.677 . 1 193 74 74 SER N N 115.090 . 1 194 75 75 ARG H H 8.251 . 1 195 75 75 ARG CA C 60.586 . 1 196 75 75 ARG CB C 30.883 . 1 197 75 75 ARG N N 122.819 . 1 198 76 76 LYS H H 7.915 . 1 199 76 76 LYS CA C 59.484 . 1 200 76 76 LYS CB C 32.106 . 1 201 76 76 LYS N N 122.224 . 1 202 77 77 VAL H H 8.117 . 1 203 77 77 VAL CA C 66.325 . 1 204 77 77 VAL CB C 31.675 . 1 205 77 77 VAL N N 121.800 . 1 206 78 78 ALA H H 7.870 . 1 207 78 78 ALA CA C 55.491 . 1 208 78 78 ALA CB C 18.055 . 1 209 78 78 ALA N N 122.090 . 1 210 79 79 THR H H 8.260 . 1 211 79 79 THR CA C 67.951 . 1 212 79 79 THR N N 112.446 . 1 213 80 80 GLY H H 7.950 . 1 214 80 80 GLY CA C 47.392 . 1 215 80 80 GLY N N 107.714 . 1 216 81 81 LYS H H 7.681 . 1 217 81 81 LYS CA C 59.573 . 1 218 81 81 LYS CB C 32.470 . 1 219 81 81 LYS N N 122.235 . 1 220 82 82 LEU H H 7.999 . 1 221 82 82 LEU CA C 57.941 . 1 222 82 82 LEU CB C 41.455 . 1 223 82 82 LEU N N 119.116 . 1 224 83 83 LYS H H 8.332 . 1 225 83 83 LYS CA C 59.731 . 1 226 83 83 LYS CB C 31.618 . 1 227 83 83 LYS N N 119.181 . 1 228 84 84 LYS H H 7.642 . 1 229 84 84 LYS CA C 58.783 . 1 230 84 84 LYS CB C 32.091 . 1 231 84 84 LYS N N 120.753 . 1 232 85 85 MET H H 7.349 . 1 233 85 85 MET CA C 55.688 . 1 234 85 85 MET CB C 33.105 . 1 235 85 85 MET N N 116.015 . 1 236 86 86 GLY H H 7.598 . 1 237 86 86 GLY CA C 45.545 . 1 238 86 86 GLY N N 104.133 . 1 239 87 87 VAL H H 7.166 . 1 240 87 87 VAL CA C 62.993 . 1 241 87 87 VAL CB C 31.207 . 1 242 87 87 VAL N N 118.501 . 1 243 88 88 SER H H 8.561 . 1 244 88 88 SER CA C 61.010 . 1 245 88 88 SER CB C 63.865 . 1 246 88 88 SER N N 121.062 . 1 247 89 89 GLU H H 7.663 . 1 248 89 89 GLU CA C 55.711 . 1 249 89 89 GLU CB C 33.456 . 1 250 89 89 GLU N N 119.512 . 1 251 90 90 VAL H H 8.635 . 1 252 90 90 VAL CA C 60.490 . 1 253 90 90 VAL CB C 33.252 . 1 254 90 90 VAL N N 123.438 . 1 255 91 91 GLU H H 9.088 . 1 256 91 91 GLU CA C 54.319 . 1 257 91 91 GLU CB C 31.348 . 1 258 91 91 GLU N N 129.387 . 1 259 92 92 GLN H H 9.028 . 1 260 92 92 GLN CA C 54.077 . 1 261 92 92 GLN CB C 32.829 . 1 262 92 92 GLN N N 121.718 . 1 263 93 93 CYS H H 8.816 . 1 264 93 93 CYS CA C 57.392 . 1 265 93 93 CYS CB C 31.016 . 1 266 93 93 CYS N N 115.912 . 1 267 94 94 ASP H H 8.327 . 1 268 94 94 ASP CA C 52.600 . 1 269 94 94 ASP CB C 42.495 . 1 270 94 94 ASP N N 118.194 . 1 271 95 95 SER H H 7.262 . 1 272 95 95 SER CA C 56.917 . 1 273 95 95 SER CB C 66.280 . 1 274 95 95 SER N N 108.305 . 1 275 96 96 GLY H H 9.656 . 1 276 96 96 GLY CA C 47.535 . 1 277 96 96 GLY N N 110.820 . 1 278 97 97 LYS H H 8.399 . 1 279 97 97 LYS CA C 60.080 . 1 280 97 97 LYS CB C 32.452 . 1 281 97 97 LYS N N 120.876 . 1 282 98 98 GLU H H 7.833 . 1 283 98 98 GLU CA C 57.897 . 1 284 98 98 GLU CB C 29.990 . 1 285 98 98 GLU N N 120.872 . 1 286 99 99 ALA H H 7.888 . 1 287 99 99 ALA CA C 55.568 . 1 288 99 99 ALA CB C 18.883 . 1 289 99 99 ALA N N 123.591 . 1 290 100 100 LEU H H 8.206 . 1 291 100 100 LEU CA C 58.033 . 1 292 100 100 LEU CB C 42.230 . 1 293 100 100 LEU N N 117.120 . 1 294 101 101 ARG H H 7.914 . 1 295 101 101 ARG CA C 60.345 . 1 296 101 101 ARG CB C 29.702 . 1 297 101 101 ARG N N 123.623 . 1 298 102 102 LEU H H 8.737 . 1 299 102 102 LEU CA C 58.439 . 1 300 102 102 LEU CB C 42.497 . 1 301 102 102 LEU N N 119.562 . 1 302 103 103 VAL H H 8.601 . 1 303 103 103 VAL CA C 67.644 . 1 304 103 103 VAL CB C 31.967 . 1 305 103 103 VAL N N 120.291 . 1 306 104 104 THR H H 8.335 . 1 307 104 104 THR CA C 68.428 . 1 308 104 104 THR N N 116.574 . 1 309 105 105 GLU H H 8.954 . 1 310 105 105 GLU CA C 59.503 . 1 311 105 105 GLU CB C 29.768 . 1 312 105 105 GLU N N 121.899 . 1 313 106 106 GLY H H 7.989 . 1 314 106 106 GLY CA C 47.312 . 1 315 106 106 GLY N N 106.850 . 1 316 107 107 LEU H H 8.314 . 1 317 107 107 LEU CA C 57.776 . 1 318 107 107 LEU CB C 40.528 . 1 319 107 107 LEU N N 122.810 . 1 320 108 108 THR H H 7.886 . 1 321 108 108 THR CA C 66.140 . 1 322 108 108 THR CB C 69.079 . 1 323 108 108 THR N N 114.356 . 1 324 109 109 GLN H H 8.040 . 1 325 109 109 GLN CA C 58.387 . 1 326 109 109 GLN CB C 28.439 . 1 327 109 109 GLN N N 120.767 . 1 328 110 110 ARG H H 7.623 . 1 329 110 110 ARG CA C 57.966 . 1 330 110 110 ARG CB C 30.006 . 1 331 110 110 ARG N N 118.367 . 1 332 111 111 GLU H H 7.907 . 1 333 111 111 GLU CA C 58.756 . 1 334 111 111 GLU CB C 33.584 . 1 335 111 111 GLU N N 120.784 . 1 336 112 112 GLU CA C 58.322 . 1 337 112 112 GLU CB C 29.884 . 1 338 113 113 GLN H H 8.144 . 1 339 113 113 GLN CA C 56.225 . 1 340 113 113 GLN CB C 28.729 . 1 341 113 113 GLN N N 116.972 . 1 342 114 114 GLY H H 8.071 . 1 343 114 114 GLY CA C 46.081 . 1 344 114 114 GLY N N 108.660 . 1 345 115 115 SER H H 7.975 . 1 346 115 115 SER CA C 57.905 . 1 347 115 115 SER CB C 63.634 . 1 348 115 115 SER N N 114.780 . 1 349 116 116 VAL H H 8.223 . 1 350 116 116 VAL CA C 63.097 . 1 351 116 116 VAL CB C 30.390 . 1 352 116 116 VAL N N 120.489 . 1 353 120 120 PRO CA C 63.971 . 1 354 120 120 PRO CB C 31.116 . 1 355 121 121 PHE H H 6.955 . 1 356 121 121 PHE CA C 56.178 . 1 357 121 121 PHE CB C 42.064 . 1 358 121 121 PHE N N 111.528 . 1 359 122 122 ASP H H 9.210 . 1 360 122 122 ASP CA C 57.546 . 1 361 122 122 ASP CB C 43.677 . 1 362 122 122 ASP N N 120.023 . 1 363 123 123 TYR H H 7.042 . 1 364 123 123 TYR CA C 57.113 . 1 365 123 123 TYR CB C 44.560 . 1 366 123 123 TYR N N 106.574 . 1 367 124 124 ILE H H 8.198 . 1 368 124 124 ILE CA C 60.237 . 1 369 124 124 ILE CB C 40.527 . 1 370 124 124 ILE N N 120.442 . 1 371 125 125 PHE H H 9.246 . 1 372 125 125 PHE CA C 57.278 . 1 373 125 125 PHE CB C 39.408 . 1 374 125 125 PHE N N 127.562 . 1 375 126 126 MET H H 9.197 . 1 376 126 126 MET CA C 52.909 . 1 377 126 126 MET CB C 34.943 . 1 378 126 126 MET N N 126.357 . 1 379 127 127 ASP H H 7.883 . 1 380 127 127 ASP CA C 54.585 . 1 381 127 127 ASP CB C 42.375 . 1 382 127 127 ASP N N 128.891 . 1 383 129 129 GLN H H 8.385 . 1 384 129 129 GLN CA C 56.150 . 1 385 129 129 GLN CB C 28.620 . 1 386 129 129 GLN N N 120.950 . 1 387 130 130 MET H H 7.198 . 1 388 130 130 MET N N 126.218 . 1 389 132 132 GLU H H 8.180 . 1 390 132 132 GLU CA C 56.800 . 1 391 132 132 GLU CB C 28.400 . 1 392 132 132 GLU N N 120.600 . 1 393 133 133 MET H H 8.633 . 1 394 133 133 MET CA C 55.790 . 1 395 133 133 MET N N 123.658 . 1 396 134 134 ASP H H 8.956 . 1 397 134 134 ASP N N 126.652 . 1 398 136 136 TYR H H 7.907 . 1 399 136 136 TYR N N 123.283 . 1 400 137 137 GLU CA C 59.296 . 1 401 137 137 GLU CB C 29.632 . 1 402 138 138 ALA H H 8.725 . 1 403 138 138 ALA CA C 55.821 . 1 404 138 138 ALA CB C 18.509 . 1 405 138 138 ALA N N 119.999 . 1 406 139 139 THR H H 7.681 . 1 407 139 139 THR CA C 69.076 . 1 408 139 139 THR CB C 70.987 . 1 409 139 139 THR N N 114.606 . 1 410 140 140 ARG CA C 60.639 . 1 411 140 140 ARG CB C 30.492 . 1 412 141 141 GLU H H 8.365 . 1 413 141 141 GLU CA C 59.082 . 1 414 141 141 GLU CB C 29.715 . 1 415 141 141 GLU N N 117.613 . 1 416 142 142 ILE H H 8.750 . 1 417 142 142 ILE CA C 66.230 . 1 418 142 142 ILE CB C 37.994 . 1 419 142 142 ILE N N 124.046 . 1 420 143 143 ARG H H 8.810 . 1 421 143 143 ARG CA C 57.788 . 1 422 143 143 ARG CB C 29.050 . 1 423 143 143 ARG N N 118.058 . 1 424 144 144 LYS H H 7.513 . 1 425 144 144 LYS CA C 60.330 . 1 426 144 144 LYS CB C 32.769 . 1 427 144 144 LYS N N 118.192 . 1 428 145 145 VAL H H 7.599 . 1 429 145 145 VAL CA C 65.774 . 1 430 145 145 VAL CB C 32.065 . 1 431 145 145 VAL N N 120.563 . 1 432 146 146 GLU H H 8.538 . 1 433 146 146 GLU CA C 59.784 . 1 434 146 146 GLU CB C 31.035 . 1 435 146 146 GLU N N 118.428 . 1 436 147 147 LYS H H 7.499 . 1 437 147 147 LYS CA C 59.557 . 1 438 147 147 LYS CB C 32.439 . 1 439 147 147 LYS N N 118.004 . 1 440 148 148 SER H H 7.807 . 1 441 148 148 SER CA C 61.047 . 1 442 148 148 SER CB C 62.715 . 1 443 148 148 SER N N 113.093 . 1 444 149 149 TYR H H 7.700 . 1 445 149 149 TYR CA C 58.766 . 1 446 149 149 TYR CB C 40.788 . 1 447 149 149 TYR N N 117.594 . 1 448 150 150 GLY H H 7.858 . 1 449 150 150 GLY CA C 46.862 . 1 450 150 150 GLY N N 107.484 . 1 451 151 151 VAL H H 6.797 . 1 452 151 151 VAL CA C 58.643 . 1 453 151 151 VAL CB C 35.328 . 1 454 151 151 VAL N N 109.109 . 1 455 152 152 ARG H H 8.375 . 1 456 152 152 ARG CA C 56.129 . 1 457 152 152 ARG CB C 32.047 . 1 458 152 152 ARG N N 121.392 . 1 459 153 153 THR H H 10.666 . 1 460 153 153 THR CA C 63.047 . 1 461 153 153 THR CB C 70.496 . 1 462 153 153 THR N N 107.206 . 1 463 154 154 PRO CA C 63.044 . 1 464 154 154 PRO CB C 32.303 . 1 465 155 155 ILE H H 9.178 . 1 466 155 155 ILE CA C 60.903 . 1 467 155 155 ILE CB C 40.520 . 1 468 155 155 ILE N N 126.269 . 1 469 156 156 ILE H H 9.150 . 1 470 156 156 ILE CA C 60.172 . 1 471 156 156 ILE CB C 39.435 . 1 472 156 156 ILE N N 129.676 . 1 473 157 157 ALA H H 8.665 . 1 474 157 157 ALA CA C 51.935 . 1 475 157 157 ALA CB C 21.327 . 1 476 157 157 ALA N N 130.467 . 1 477 158 158 VAL H H 8.278 . 1 478 158 158 VAL CA C 61.084 . 1 479 158 158 VAL CB C 32.513 . 1 480 158 158 VAL N N 122.232 . 1 481 159 159 SER H H 8.278 . 1 482 159 159 SER CA C 57.113 . 1 483 159 159 SER CB C 65.549 . 1 484 159 159 SER N N 118.837 . 1 485 160 160 GLY H H 8.776 . 1 486 160 160 GLY CA C 45.125 . 1 487 160 160 GLY N N 111.754 . 1 488 161 161 HIS H H 8.275 . 1 489 161 161 HIS CA C 56.541 . 1 490 161 161 HIS CB C 31.723 . 1 491 161 161 HIS N N 119.558 . 1 492 162 162 ASP H H 8.752 . 1 493 162 162 ASP CA C 52.729 . 1 494 162 162 ASP CB C 41.347 . 1 495 162 162 ASP N N 121.318 . 1 496 163 163 PRO CA C 64.237 . 1 497 163 163 PRO CB C 31.848 . 1 498 164 164 GLY H H 8.717 . 1 499 164 164 GLY CA C 44.889 . 1 500 164 164 GLY N N 108.831 . 1 501 165 165 SER H H 7.954 . 1 502 165 165 SER CA C 59.036 . 1 503 165 165 SER CB C 65.183 . 1 504 165 165 SER N N 115.821 . 1 505 166 166 GLU H H 8.959 . 1 506 166 166 GLU CA C 58.964 . 1 507 166 166 GLU CB C 29.239 . 1 508 166 166 GLU N N 122.678 . 1 509 167 167 GLU H H 8.825 . 1 510 167 167 GLU CA C 59.879 . 1 511 167 167 GLU CB C 28.693 . 1 512 167 167 GLU N N 120.258 . 1 513 168 168 ALA H H 7.861 . 1 514 168 168 ALA CA C 54.675 . 1 515 168 168 ALA CB C 18.256 . 1 516 168 168 ALA N N 122.635 . 1 517 169 169 ARG H H 7.887 . 1 518 169 169 ARG CA C 59.103 . 1 519 169 169 ARG CB C 29.979 . 1 520 169 169 ARG N N 120.241 . 1 521 170 170 GLU H H 8.249 . 1 522 170 170 GLU CA C 58.614 . 1 523 170 170 GLU CB C 29.192 . 1 524 170 170 GLU N N 119.503 . 1 525 171 171 THR H H 7.906 . 1 526 171 171 THR CA C 65.397 . 1 527 171 171 THR CB C 68.831 . 1 528 171 171 THR N N 112.813 . 1 529 172 172 ILE H H 7.215 . 1 530 172 172 ILE CA C 62.838 . 1 531 172 172 ILE CB C 37.491 . 1 532 172 172 ILE N N 122.735 . 1 533 173 173 GLN H H 7.835 . 1 534 173 173 GLN CA C 58.200 . 1 535 173 173 GLN CB C 28.414 . 1 536 173 173 GLN N N 120.656 . 1 537 174 174 ALA H H 7.944 . 1 538 174 174 ALA CA C 53.722 . 1 539 174 174 ALA CB C 19.543 . 1 540 174 174 ALA N N 119.418 . 1 541 175 175 GLY H H 7.638 . 1 542 175 175 GLY CA C 45.050 . 1 543 175 175 GLY N N 101.281 . 1 544 176 176 MET H H 8.059 . 1 545 176 176 MET CA C 57.312 . 1 546 176 176 MET CB C 32.846 . 1 547 176 176 MET N N 118.992 . 1 548 177 177 ASP H H 9.353 . 1 549 177 177 ASP CA C 56.925 . 1 550 177 177 ASP CB C 44.183 . 1 551 177 177 ASP N N 119.115 . 1 552 178 178 ALA H H 7.699 . 1 553 178 178 ALA CA C 51.325 . 1 554 178 178 ALA CB C 23.030 . 1 555 178 178 ALA N N 116.627 . 1 556 179 179 PHE H H 8.432 . 1 557 179 179 PHE CA C 57.313 . 1 558 179 179 PHE CB C 42.690 . 1 559 179 179 PHE N N 120.137 . 1 560 180 180 LEU H H 8.727 . 1 561 180 180 LEU CA C 53.363 . 1 562 180 180 LEU CB C 46.305 . 1 563 180 180 LEU N N 126.055 . 1 564 181 181 ASP H H 8.052 . 1 565 181 181 ASP CA C 53.327 . 1 566 181 181 ASP CB C 42.575 . 1 567 181 181 ASP N N 118.896 . 1 568 182 182 LYS H H 7.697 . 1 569 182 182 LYS CA C 58.833 . 1 570 182 182 LYS CB C 32.094 . 1 571 182 182 LYS N N 118.179 . 1 572 183 183 SER H H 8.196 . 1 573 183 183 SER CA C 59.906 . 1 574 183 183 SER CB C 63.608 . 1 575 183 183 SER N N 114.406 . 1 576 184 184 LEU H H 8.416 . 1 577 184 184 LEU CA C 56.515 . 1 578 184 184 LEU CB C 39.253 . 1 579 184 184 LEU N N 115.834 . 1 580 185 185 ASN H H 8.760 . 1 581 185 185 ASN CA C 56.486 . 1 582 185 185 ASN CB C 38.292 . 1 583 185 185 ASN N N 120.524 . 1 584 186 186 GLN H H 8.546 . 1 585 186 186 GLN CA C 55.740 . 1 586 186 186 GLN CB C 27.321 . 1 587 186 186 GLN N N 115.406 . 1 588 187 187 LEU H H 7.197 . 1 589 187 187 LEU CA C 59.436 . 1 590 187 187 LEU CB C 42.460 . 1 591 187 187 LEU N N 120.017 . 1 592 188 188 ALA H H 8.742 . 1 593 188 188 ALA CA C 55.856 . 1 594 188 188 ALA CB C 17.809 . 1 595 188 188 ALA N N 118.492 . 1 596 189 189 ASN H H 7.692 . 1 597 189 189 ASN CA C 56.167 . 1 598 189 189 ASN CB C 37.989 . 1 599 189 189 ASN N N 115.286 . 1 600 190 190 VAL H H 8.151 . 1 601 190 190 VAL CA C 66.121 . 1 602 190 190 VAL CB C 30.043 . 1 603 190 190 VAL N N 120.257 . 1 604 191 191 ILE H H 8.146 . 1 605 191 191 ILE CA C 63.299 . 1 606 191 191 ILE CB C 35.533 . 1 607 191 191 ILE N N 119.791 . 1 608 192 192 ARG H H 7.838 . 1 609 192 192 ARG CA C 59.958 . 1 610 192 192 ARG CB C 29.868 . 1 611 192 192 ARG N N 119.096 . 1 612 193 193 GLU H H 7.924 . 1 613 193 193 GLU CA C 59.286 . 1 614 193 193 GLU CB C 29.264 . 1 615 193 193 GLU N N 120.691 . 1 616 194 194 ILE H H 8.188 . 1 617 194 194 ILE CA C 65.339 . 1 618 194 194 ILE CB C 37.940 . 1 619 194 194 ILE N N 120.883 . 1 620 195 195 GLU H H 8.487 . 1 621 195 195 GLU CA C 58.884 . 1 622 195 195 GLU CB C 28.899 . 1 623 195 195 GLU N N 118.973 . 1 624 196 196 SER H H 8.144 . 1 625 196 196 SER CA C 61.125 . 1 626 196 196 SER CB C 63.182 . 1 627 196 196 SER N N 114.936 . 1 628 197 197 LYS H H 7.638 . 1 629 197 197 LYS CA C 57.643 . 1 630 197 197 LYS CB C 32.710 . 1 631 197 197 LYS N N 120.234 . 1 632 198 198 ARG H H 7.764 . 1 633 198 198 ARG CA C 57.960 . 1 634 198 198 ARG CB C 30.551 . 1 635 198 198 ARG N N 119.543 . 1 636 199 199 HIS H H 8.092 . 1 637 199 199 HIS CA C 57.114 . 1 638 199 199 HIS CB C 30.129 . 1 639 199 199 HIS N N 118.121 . 1 640 200 200 LEU H H 7.814 . 1 641 200 200 LEU CA C 55.639 . 1 642 200 200 LEU CB C 42.256 . 1 643 200 200 LEU N N 121.394 . 1 644 201 201 GLU H H 8.171 . 1 645 201 201 GLU CA C 57.036 . 1 646 201 201 GLU CB C 29.953 . 1 647 201 201 GLU N N 120.050 . 1 stop_ save_ save_heteronucl_NOEs_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600.053 _Mol_system_component_name CKI1RD _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type height _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 14 LEU -0.1586 0.01264 15 VAL -0.28729 0.01005 18 GLY 0.62099 0.16491 22 ALA -0.34398 0.0298 28 SER -0.10488 0.03153 31 ARG 0.01822 0.03117 33 LYS -0.04707 0.02447 43 GLY -0.11518 0.01831 51 THR -0.05084 0.0155 53 LYS -0.03683 0.0163 57 ASP 0.42918 0.01816 60 LEU 0.69505 0.04432 61 ARG 0.73072 0.03541 62 GLY 0.70215 0.0718 63 LYS 0.72603 0.04443 64 ARG 0.82241 0.07788 66 LEU 0.76901 0.08819 67 VAL 0.80862 0.07075 68 VAL 0.75056 0.06256 69 ASP 0.80119 0.04865 70 ASP 0.73499 0.06761 71 ASN 0.88028 0.1441 73 ILE 0.77453 0.04422 74 SER 0.75436 0.04474 76 LYS 0.87431 0.04758 78 ALA 0.86464 0.0592 79 THR 0.78453 0.05419 80 GLY 0.85255 0.05892 81 LYS 0.77895 0.04562 82 LEU 0.76369 0.05394 83 LYS 0.7481 0.0452 84 LYS 0.71953 0.03792 85 MET 0.72547 0.04942 86 GLY 0.80261 0.05357 87 VAL 0.85061 0.04777 89 GLU 0.67427 0.04092 91 GLU 0.80344 0.08787 92 GLN 0.72961 0.04787 93 CYS 0.75709 0.04703 95 SER 0.75229 0.03362 99 ALA 0.81527 0.03971 100 LEU 0.74103 0.04032 101 ARG 0.79495 0.03546 102 LEU 0.77943 0.06207 103 VAL 0.67121 0.05181 105 GLU 0.74339 0.04934 106 GLY 0.77526 0.05526 108 THR 0.79852 0.05046 110 ARG 0.66665 0.0412 114 GLY 0.52548 0.05146 115 SER 0.46524 0.03429 121 PHE 0.74471 0.0644 122 ASP 0.89868 0.10335 123 TYR 0.79394 0.04867 125 PHE 0.80333 0.08646 127 ASP 0.74988 0.08024 130 MET 0.687 0.07614 133 MET 0.55471 0.03578 134 ASP 0.69042 0.10494 136 TYR 0.85087 0.06007 138 ALA 0.81031 0.04626 139 THR 0.76643 0.06076 141 GLU 0.80998 0.05911 142 ILE 0.82321 0.06896 143 ARG 0.843 0.07021 145 VAL 0.8015 0.04667 146 GLU 0.76085 0.06335 149 TYR 0.70538 0.05094 150 GLY 0.73735 0.05112 151 VAL 0.76178 0.04633 152 ARG 0.7707 0.04986 153 THR 0.81129 0.11136 156 ILE 0.88773 0.10626 157 ALA 0.74504 0.06946 159 SER 0.68574 0.04657 162 ASP 0.63746 0.06945 164 GLY 0.57182 0.05745 165 SER 0.70082 0.08666 166 GLU 0.57063 0.0723 167 GLU 0.60589 0.06479 168 ALA 0.68159 0.04035 171 THR 0.67791 0.04519 172 ILE 0.66674 0.05312 174 ALA 0.74579 0.04287 175 GLY 0.64728 0.07295 177 ASP 0.71504 0.08508 178 ALA 0.76467 0.03814 180 LEU 0.73404 0.06902 182 LYS 0.75941 0.04928 185 ASN 0.73183 0.07056 187 LEU 0.79086 0.04493 189 ASN 0.80062 0.03585 192 ARG 0.83588 0.05271 195 GLU 0.78059 0.0548 197 LYS 0.69434 0.0354 198 ARG 0.57886 0.02639 199 HIS 0.61382 0.13479 stop_ save_ save_order_parameters_1 _Saveframe_category S2_parameters _Details '_Order_param.Bond_length_val: 1.02e-10' loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name CKI1RD _Tau_e_value_units s _Tau_s_value_units s _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 14 LEU N 'S2f, S2, ts' 0.0648131349894 0.00665143823046 . . 0.713708875168 0.0405718338764 0.0908117262436 0.0138079719987 9.44608689257e-10 9.65522170007e-12 . . . . 15 VAL N 'S2f, S2, ts' 0.0248609478866 0.00440340259939 . . 0.760238023215 0.0337014006619 0.0327015317932 0.00727286710391 8.89240578498e-10 5.91469170691e-12 . . . . 18 GLY N 'S2f, S2, ts' 0.619516543205 0.0415580206802 . . 0.690170434074 0.0924809476853 0.897628343116 0.0731892399714 8.16478307395e-10 1.06391465571e-09 . . . . 22 ALA N 'S2f, S2, ts' 0.0359074666876 0.00757207523109 . . 0.723672650889 0.0507317894282 0.0496183829021 0.0133603189846 8.50999961843e-10 1.52077636029e-11 . . . . 28 SER N 'S2f, S2, ts' 0.0524259114259 0.0127988710084 . . 0.753880399932 0.0965376943634 0.0695414172204 0.0278995785745 9.89247925858e-10 2.48444554105e-11 . . . . 31 ARG N 'S2f, S2, ts' 0.0728112826565 0.00676324124851 . . 0.689805337119 0.033336006675 0.105553376784 0.0133632179484 1.07325494793e-09 2.70987061545e-11 . . . . 33 LYS N 'S2f, S2, ts' 0.0831424398022 0.006990135962 . . 0.750676050114 0.0399374438662 0.110756750251 0.0144297803649 1.01873127474e-09 1.99146656695e-11 . . . . 43 GLY N 'S2f, S2, ts' 0.059881754087 0.00611379035065 . . 0.736446306649 0.036853007837 0.0813117718785 0.0113406952408 9.78073566604e-10 1.374093203e-11 . . . . 51 THR N 'S2f, S2, ts' 0.114448513482 0.00681845753458 . . 0.649447107551 0.0303795926184 0.176224533378 0.0166319165504 9.86703468487e-10 1.41686357439e-11 . . . . 53 LYS N 'S2f, S2, ts' 0.144710509073 0.00588031222135 . . 0.714218916117 0.0302316802384 0.202613660612 0.0148963612438 9.84896079721e-10 1.45995134604e-11 . . . . 57 ASP N 'S2f, S2, ts' 0.460677610346 0.00564740552067 . . 0.793197946247 0.0213313269106 0.580785177931 0.0203362802624 1.29400100396e-09 4.55626545227e-11 . . . . 60 LEU N 'S2f, S2, ts' 0.790101962172 0.00966357494364 . . 0.881766009261 0.0112543313979 0.896044930144 0.0113542065808 1.25360632775e-09 7.20971066576e-10 . . . . 61 ARG N 'S2f, S2, ts' 0.847442861936 0.0109141496994 . . 0.898710963223 0.0103987270657 0.942953737759 0.00892313127229 1.01836576576e-09 4.64123397537e-10 . . . . 62 GLY N 'S2, te' 0.826840695795 0.0189261370786 3.27024663589e-11 1.7205797747e-11 . . . . . . . . . . 63 LYS N 'S2, te' 0.900634854247 0.011806550683 3.59854441831e-11 1.58516406355e-11 . . . . . . . . . . 64 ARG N S2 0.832381200335 0.0143993545998 . . . . . . . . . . . . 66 LEU N S2 0.880264945227 0.0158590570268 . . . . . . . . . . . . 67 VAL N S2 0.836360033025 0.00995198927081 . . . . . . . . . . . . 68 VAL N S2 0.857700005704 0.00950939791892 . . . . . . . . . . . . 69 ASP N S2 0.829443856441 0.0123999495582 . . . . . . . . . . . . 70 ASP N 'S2, Rex' 0.896777409089 0.0317313960466 . . . . . . . . . . . . 71 ASN N S2 0.908089070439 0.026776810728 . . . . . . . . . . . . 73 ILE N 'S2, te' 0.909197609435 0.0103910266541 2.88994896378e-11 1.55056616091e-11 . . . . . . . . . . 74 SER N S2 0.888781520471 0.0119257473951 . . . . . . . . . . . . 76 LYS N S2 0.894260538476 0.00687087607441 . . . . . . . . . . . . 78 ALA N S2 0.928249352231 0.009429584597 . . . . . . . . . . . . 79 THR N S2 0.853331625395 0.0131158879955 . . . . . . . . . . . . 80 GLY N S2 0.907914050888 0.0102403688098 . . . . . . . . . . . . 81 LYS N S2 0.923857966228 0.00864071011186 . . . . . . . . . . . . 82 LEU N 'S2f, S2, ts' 0.845152280367 0.0121238248444 . . 0.882369550937 0.0128368754234 0.957821220678 0.0105266763331 1.1182779891e-09 1.55942011376e-09 . . . . 83 LYS N 'S2f, S2, ts' 0.870444666218 0.0141789007388 . . 0.904050929114 0.018725809038 0.962827024657 0.0141455328019 8.02260717092e-10 9.05031694456e-10 . . . . 84 LYS N 'S2f, S2, ts' 0.864009268611 0.0100780375027 . . 0.902541790993 0.0088893588932 0.957306661291 0.00737161308131 6.63636358316e-10 2.49387138031e-10 . . . . 85 MET N 'S2, te' 0.834816290077 0.00820216389821 1.9043118627e-11 8.39826153693e-12 . . . . . . . . . . 86 GLY N 'S2f, S2, ts' 0.814369167251 0.0137200498395 . . 0.856370087511 0.010186629681 0.950954708868 0.0148714760342 2.64656997492e-09 2.56217269538e-09 . . . . 87 VAL N S2 0.925506201901 0.00872825835008 . . . . . . . . . . . . 89 GLU N 'S2f, S2, ts' 0.758283224751 0.00890338395151 . . 0.851193860708 0.0109116881976 0.890846679886 0.0104127775945 1.14117324584e-09 2.36222896618e-10 . . . . 91 GLU N S2 0.83217849582 0.011380246993 . . . . . . . . . . . . 92 GLN N 'S2, te' 0.828029516069 0.00949798781684 2.44422185309e-11 9.18796695673e-12 . . . . . . . . . . 93 CYS N S2 0.853387137213 0.0104289788843 . . . . . . . . . . . . 95 SER N 'S2, te' 0.847588579492 0.00627454917507 1.91166030581e-11 6.87771952936e-12 . . . . . . . . . . 99 ALA N S2 0.89240270282 0.00815725050939 . . . . . . . . . . . . 100 LEU N 'S2f, S2, ts' 0.812513357159 0.0145863836918 . . 0.852967315912 0.0117977555569 0.952572674242 0.00993778260788 9.36662523092e-10 6.13800211815e-10 . . . . 101 ARG N 'S2, te' 0.878276809551 0.0073811171725 1.52250582135e-11 9.33416496735e-12 . . . . . . . . . . 102 LEU N S2 0.897950198432 0.016432267206 . . . . . . . . . . . . 103 VAL N 'S2, te' 0.896213339065 0.0113521743988 5.73751525465e-11 2.03135918475e-11 . . . . . . . . . . 105 GLU N 'S2, te' 0.913040325951 0.0126331547895 4.4166434271e-11 2.02584096681e-11 . . . . . . . . . . 106 GLY N S2 0.883048731562 0.00985442968831 . . . . . . . . . . . . 108 THR N S2 0.905480600021 0.00853841314682 . . . . . . . . . . . . 110 ARG N 'S2f, S2, ts' 0.897341238621 0.0166437871149 . . 0.963402677818 0.0137522629683 0.931429047564 0.0100709509174 7.140368768e-10 2.05230147973e-10 . . . . 114 GLY N 'S2f, S2, ts' 0.712017484343 0.020253048613 . . 0.883283077186 0.0308966869173 0.806103391691 0.0333612053949 1.01940884817e-09 1.73560427687e-10 . . . . 115 SER N 'S2f, S2, ts' 0.576092635504 0.0111161460283 . . 0.795748270205 0.0224261138655 0.723963415409 0.0263998326089 1.11434487002e-09 9.16461545733e-11 . . . . 121 PHE N 'S2, Rex' 0.867699362566 0.018369079198 . . . . . . . . . . . . 122 ASP N S2 0.881749717055 0.0188235236428 . . . . . . . . . . . . 123 TYR N S2 0.831405904787 0.0108156107651 . . . . . . . . . . . . 125 PHE N S2 0.828031028196 0.015483823938 . . . . . . . . . . . . 127 ASP N S2 0.889181675838 0.0174194069481 . . . . . . . . . . . . 130 MET N 'S2, te, Rex' 0.8248917376 0.0238949385658 3.02810991336e-11 1.41210238979e-11 . . . . . . . . . . 133 MET N 'S2, te, Rex' 0.781557045352 0.0183295343616 4.66995265631e-11 6.48350133774e-12 . . . . . . . . . . 134 ASP N 'S2, Rex' 0.806343201567 0.0408785701592 . . . . . . . . . . . . 136 TYR N 'S2, Rex' 0.900228445468 0.019168620445 . . . . . . . . . . . . 138 ALA N S2 0.911193013601 0.00926605169669 . . . . . . . . . . . . 139 THR N S2 0.850109203803 0.0113857982457 . . . . . . . . . . . . 141 GLU N S2 0.889781681292 0.012122311108 . . . . . . . . . . . . 142 ILE N S2 0.874742459409 0.0171924243687 . . . . . . . . . . . . 143 ARG N S2 0.921836593406 0.0163778131164 . . . . . . . . . . . . 145 VAL N 'S2f, S2, ts' 0.824750877611 0.00804038511235 . . 0.852794860566 0.0082875020884 0.967115206421 0.00878078928021 2.08966630286e-09 2.02766057056e-09 . . . . 146 GLU N 'S2, Rex' 0.873564101659 0.0222505453062 . . . . . . . . . . . . 149 TYR N 'S2, te' 0.813932880716 0.00875842628531 3.0184053452e-11 8.7863181851e-12 . . . . . . . . . . 150 GLY N 'S2, te' 0.848796833586 0.0130150106601 2.85934249606e-11 1.17380701911e-11 . . . . . . . . . . 151 VAL N 'S2, Rex' 0.834682443217 0.0107250802333 . . . . . . . . . . . . 152 ARG N 'S2f, S2, ts' 0.791895136831 0.0160680620928 . . 0.84050009678 0.0206053136983 0.942171380902 0.0209368972161 1.5754872344e-09 1.4971579326e-09 . . . . 153 THR N S2 0.866303327204 0.0228843029851 . . . . . . . . . . . . 156 ILE N S2 0.843727770107 0.0124520064949 . . . . . . . . . . . . 157 ALA N S2 0.887255584889 0.0142385370778 . . . . . . . . . . . . 159 SER N 'S2, te' 0.90394636441 0.0128571677229 6.63210025892e-11 2.14302396673e-11 . . . . . . . . . . 162 ASP N 'S2f, S2, ts' 0.703036650471 0.0268672923373 . . 0.822440608595 0.029151028936 0.854817531046 0.0327093202065 1.21212464898e-09 7.35499086762e-10 . . . . 164 GLY N 'S2, te' 0.826020464336 0.014442285349 5.98750418978e-11 1.46663897279e-11 . . . . . . . . . . 165 SER N 'S2f, S2, ts' 0.759956834495 0.0290736723214 . . 0.86412674395 0.0377958772151 0.879450659079 0.0392708924099 1.44568125778e-09 1.51264492142e-09 . . . . 166 GLU N 'S2f, S2, ts' 0.711587553503 0.0244581307845 . . 0.833652317348 0.0397205521046 0.853578330791 0.0405916241673 9.3583943184e-10 3.1823155328e-10 . . . . 167 GLU N 'S2f, S2, ts' 0.781296458547 0.0235017125204 . . 0.922494013326 0.0233866528536 0.846939326717 0.0184439837223 1.10131535249e-09 3.00947692545e-10 . . . . 168 ALA N 'S2f, S2, ts' 0.741688281419 0.0129553359056 . . 0.8721581426 0.0170414575851 0.85040572941 0.0189558840619 1.49601577144e-09 3.0097050677e-10 . . . . 171 THR N 'S2f, S2, ts' 0.85034217319 0.0230083232188 . . 0.930181434197 0.0245927375879 0.914168077246 0.0198665316589 9.69077913514e-10 3.25610259606e-10 . . . . 172 ILE N 'S2f, S2, ts' 0.80650313521 0.0132740726442 . . 0.90022079527 0.0145859793839 0.895894806527 0.012123635267 1.06589504637e-09 3.61010744488e-10 . . . . 174 ALA N 'S2, te' 0.937579602473 0.0129551919463 6.06720569697e-11 7.00814823656e-11 . . . . . . . . . . 175 GLY N 'S2, te, Rex' 0.903677811416 0.0425836192897 7.86668107891e-11 2.63627427128e-10 . . . . . . . . . . 177 ASP N 'S2, Rex' 0.854096410666 0.0148947908199 . . . . . . . . . . . . 178 ALA N S2 0.850883381649 0.00817803629246 . . . . . . . . . . . . 180 LEU N 'S2, Rex' 0.878714300049 0.0143057036289 . . . . . . . . . . . . 182 LYS N 'S2f, S2, ts' 0.875344355406 0.0141424630924 . . 0.924439811608 0.0132227678454 0.946891668245 0.0106736823817 1.27596665053e-09 1.28890877137e-09 . . . . 187 LEU N S2 0.939202805686 0.00945813695124 . . . . . . . . . . . . 189 ASN N 'S2f, S2, ts' 0.778589058349 0.00872297907894 . . 0.815849593007 0.00694906802249 0.954329161923 0.0088761208362 2.43116334501e-09 2.16757492865e-09 . . . . 192 ARG N S2 0.899966843486 0.00970111255603 . . . . . . . . . . . . 195 GLU N 'S2f, S2, ts' 0.80467690669 0.0255365273298 . . 0.861849225005 0.017671456603 0.933663201571 0.0169773338422 1.98926212315e-09 2.32415776591e-09 . . . . 197 LYS N 'S2f, S2, ts' 0.817333620157 0.00848982194114 . . 0.912026287595 0.0121368259396 0.896173313505 0.0119097777451 1.24507596852e-09 2.76492241595e-10 . . . . 198 ARG N 'S2f, S2, ts' 0.650660813492 0.00571895952426 . . 0.858371982493 0.0146813755198 0.75801730108 0.0152028159389 1.36782861262e-09 1.07566187925e-10 . . . . 199 HIS N 'S2f, S2, ts' 0.599865204862 0.0350924108578 . . 0.841663534132 0.0565584650371 0.712713787084 0.0588123371724 1.65524435248e-09 1.2793313532e-09 . . . . stop_ save_