data_6474 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The 15N relaxation data and backbone dynamics results of CLV1 pT868 bound KI-FHA from KAPP ; _BMRB_accession_number 6474 _BMRB_flat_file_name bmr6474.str _Entry_type original _Submission_date 2005-01-30 _Accession_date 2005-01-31 _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 Ding Zhaofeng . . 2 Lee Gui-in . . 3 Liang Xiangyang . . 4 Gallazzi Fabio . . 5 'Van Doren' Steven R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count S2_parameters 1 T1_relaxation 2 T2_relaxation 2 heteronucl_NOE 2 stop_ loop_ _Data_type _Data_type_count "T1 relaxation values" 208 "T2 relaxation values" 212 "order parameters" 101 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-03-30 update BMRB ; corrected typos in data values added tau f and s val units tags with values of ns ; 2005-09-08 orginal author . stop_ loop_ _Related_BMRB_accession_number _Relationship 5564 'Chemical shift data of the free protein' 5841 'relaxation data of free KI-FHA from KAPP' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; PhosphoThr Peptide Binding Globally Rigidifies Much of the FHA Domain from Arabidopsis Receptor Kinase-Associated Protein Phosphatase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16042389 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ding Zhaofeng . . 2 Lee Gui-In . . 3 Liang Xiangyang . . 4 Gallazzi Fabio . . 5 Arunima A. . . 6 'Van Doren' Steven R. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 44 _Journal_issue 30 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10119 _Page_last 10134 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_system_KI-FHA_FHA_domain_Receptor-like_kinase_CLV1_pT868_peptide _Saveframe_category molecular_system _Mol_system_name 'KI-FHA domain of KAPP' _Abbreviation_common 'KI-FHA; FHA domain,Receptor-like kinase, CLV1 pT868 peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Kinase-interacting FHA domain of KAPP' $KI-FHA 'CLV1 pT868 peptide' $CLV1_pT868 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state complex _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'pThr/Ser binding domain' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_KI-FHA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Kinase Interacting FHA (KI-FHA) domain from KAPP' _Abbreviation_common KI-FHA _Molecular_mass 13238 _Mol_thiol_state 'not present' _Details ; This molecular mass was determined by MS, the C-terminal FQIPFKIGVASDPMA is unstructured and cleaved off during protein preparation. ; ############################## # Polymer residue sequence # ############################## _Residue_count 139 _Mol_residue_sequence ; GPLGSSWLFLEVIAGPAIGL QHAVNSTSSSKLPVKLGRVS PSDLALKDSEVSGKHAQITW NSTKFKWELVDMGSLNGTLV NSHSISHPDLGSRKWGNPVE LASDDIITLGTTTKVYVRIS SQNEFQIPFKIGVASDPMA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 PRO 3 3 LEU 4 4 GLY 5 5 SER 6 180 SER 7 181 TRP 8 182 LEU 9 183 PHE 10 184 LEU 11 185 GLU 12 186 VAL 13 187 ILE 14 188 ALA 15 189 GLY 16 190 PRO 17 191 ALA 18 192 ILE 19 193 GLY 20 194 LEU 21 195 GLN 22 196 HIS 23 197 ALA 24 198 VAL 25 199 ASN 26 200 SER 27 201 THR 28 202 SER 29 203 SER 30 204 SER 31 205 LYS 32 206 LEU 33 207 PRO 34 208 VAL 35 209 LYS 36 210 LEU 37 211 GLY 38 212 ARG 39 213 VAL 40 214 SER 41 215 PRO 42 216 SER 43 217 ASP 44 218 LEU 45 219 ALA 46 220 LEU 47 221 LYS 48 222 ASP 49 223 SER 50 224 GLU 51 225 VAL 52 226 SER 53 227 GLY 54 228 LYS 55 229 HIS 56 230 ALA 57 231 GLN 58 232 ILE 59 233 THR 60 234 TRP 61 235 ASN 62 236 SER 63 237 THR 64 238 LYS 65 239 PHE 66 240 LYS 67 241 TRP 68 242 GLU 69 243 LEU 70 244 VAL 71 245 ASP 72 246 MET 73 247 GLY 74 248 SER 75 249 LEU 76 250 ASN 77 251 GLY 78 252 THR 79 253 LEU 80 254 VAL 81 255 ASN 82 256 SER 83 257 HIS 84 258 SER 85 259 ILE 86 260 SER 87 261 HIS 88 262 PRO 89 263 ASP 90 264 LEU 91 265 GLY 92 266 SER 93 267 ARG 94 268 LYS 95 269 TRP 96 270 GLY 97 271 ASN 98 272 PRO 99 273 VAL 100 274 GLU 101 275 LEU 102 276 ALA 103 277 SER 104 278 ASP 105 279 ASP 106 280 ILE 107 281 ILE 108 282 THR 109 283 LEU 110 284 GLY 111 285 THR 112 286 THR 113 287 THR 114 288 LYS 115 289 VAL 116 290 TYR 117 291 VAL 118 292 ARG 119 293 ILE 120 294 SER 121 295 SER 122 296 GLN 123 297 ASN 124 298 GLU 125 299 PHE 126 300 GLN 127 301 ILE 128 302 PRO 129 303 PHE 130 304 LYS 131 305 ILE 132 306 GLY 133 307 VAL 134 308 ALA 135 309 SER 136 310 ASP 137 311 PRO 138 312 MET 139 313 ALA stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 BMRB 5564 'kinase associated protein phosphatase' 100.00 139 100.00 100.00 4.02e-74 BMRB 5841 'kinase associated protein phosphatase' 100.00 139 100.00 100.00 4.02e-74 PDB 1MZK 'Nmr Structure Of Kinase-Interacting Fha Domain Of Kinase Associated Protein Phosphatase, Kapp In Arabidopsis' 100.00 139 100.00 100.00 4.02e-74 GenBank AAB38148 'kinase associated protein phosphatase' 96.40 581 100.00 100.00 1.10e-72 GenBank AAK76527 'putative kinase associated protein phosphatase [Arabidopsis thaliana]' 96.40 581 100.00 100.00 1.10e-72 GenBank AAM51227 'putative kinase associated protein phosphatase [Arabidopsis thaliana]' 96.40 581 100.00 100.00 1.10e-72 REF NP_197429 'KAPP (Kinase-associated protein phosphatase); protein serine/threonine phosphatase [Arabidopsis thaliana]' 96.40 581 100.00 100.00 1.10e-72 SWISS-PROT P46014 'Kinase-associated protein phosphatase' 96.40 581 100.00 100.00 1.10e-72 stop_ save_ save_CLV1_pT868 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'CLV1 pT868 peptide' _Abbreviation_common 'CLV1 pT868 peptide' _Molecular_mass . _Mol_thiol_state 'not present' _Details 'The peptide PEYAYT(p)LKVDEKS (aa863-875) of CLAVATA1, denoted CLV1 pT868 peptide.' _Residue_count 13 _Mol_residue_sequence PEYAYTLKVDEKS loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 863 PRO 2 864 GLU 3 865 TYR 4 866 ALA 5 867 TYR 6 868 THR 7 869 LEU 8 870 LYS 9 871 VAL 10 872 ASP 11 873 GLU 12 874 LYS 13 875 SER stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2005-09-15 save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $KI-FHA 'Thale cress' 3702 Eukaryota Viridiplantae . . $CLV1_pT868 . . . . . . 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 $KI-FHA 'recombinant technology' . . . . . $CLV1_pT868 . . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $KI-FHA 0.53 mM [U-15N] $CLV1_pT868 2.1 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_T1_relaxation_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1 relaxation' _Sample_label $sample_one save_ save_15N_T2_relaxation_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T2 relaxation' _Sample_label $sample_one save_ save_heteronuclear_1H-15N_NOE_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'heteronuclear 1H-15N NOE' _Sample_label $sample_one save_ save_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label $sample_one save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1 relaxation' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T2 relaxation' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'heteronuclear 1H-15N NOE' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.1 pH temperature 295 1 K stop_ save_ save_15N_T1_set_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $condition_one _Spectrometer_frequency_1H 500 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'Kinase-interacting FHA domain of KAPP' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 LEU N 0.570 0.044 2 4 GLY N 0.508 0.045 3 5 SER N 0.470 0.055 4 6 SER N 0.495 0.047 5 7 TRP N 0.503 0.048 6 8 LEU N 0.559 0.031 7 9 PHE N 0.527 0.037 8 10 LEU N 0.466 0.059 9 11 GLU N 0.473 0.019 10 12 VAL N 0.476 0.077 11 14 ALA N 0.510 0.047 12 15 GLY N 0.547 0.043 13 17 ALA N 0.442 0.028 14 18 ILE N 0.576 0.044 15 19 GLY N 0.492 0.034 16 20 LEU N 0.547 0.030 17 21 GLN N 0.499 0.019 18 22 HIS N 0.565 0.063 19 23 ALA N 0.485 0.063 20 24 VAL N 0.462 0.067 21 25 ASN N 0.537 0.022 22 26 SER N 0.475 0.048 23 27 THR N 0.414 0.032 24 28 SER N 0.471 0.059 25 29 SER N 0.455 0.042 26 31 LYS N 0.537 0.022 27 32 LEU N 0.600 0.047 28 34 VAL N 0.556 0.036 29 35 LYS N 0.586 0.025 30 37 GLY N 0.464 0.047 31 39 VAL N 0.424 0.031 32 42 SER N 0.422 0.046 33 44 LEU N 0.527 0.046 34 45 ALA N 0.643 0.065 35 46 LEU N 0.500 0.046 36 47 LYS N 0.415 0.047 37 50 GLU N 0.693 0.138 38 51 VAL N 0.573 0.079 39 54 LYS N 0.546 0.047 40 55 HIS N 0.518 0.040 41 56 ALA N 0.555 0.048 42 57 GLN N 0.539 0.060 43 58 ILE N 0.563 0.009 44 59 THR N 0.543 0.023 45 60 TRP N 0.539 0.020 46 61 ASN N 0.528 0.023 47 62 SER N 0.490 0.028 48 63 THR N 0.573 0.066 49 64 LYS N 0.598 0.023 50 65 PHE N 0.579 0.034 51 66 LYS N 0.541 0.048 52 67 TRP N 0.555 0.012 53 68 GLU N 0.557 0.045 54 69 LEU N 0.603 0.034 55 70 VAL N 0.518 0.033 56 71 ASP N 0.464 0.020 57 72 MET N 0.568 0.050 58 73 GLY N 0.567 0.058 59 74 SER N 0.474 0.054 60 75 LEU N 0.351 0.070 61 76 ASN N 0.444 0.052 62 77 GLY N 0.412 0.030 63 78 THR N 0.464 0.039 64 79 LEU N 0.563 0.052 65 80 VAL N 0.526 0.057 66 81 ASN N 0.494 0.056 67 82 SER N 0.377 0.038 68 83 HIS N 0.494 0.029 69 84 SER N 0.781 0.032 70 85 ILE N 0.479 0.030 71 86 SER N 0.453 0.018 72 87 HIS N 0.630 0.101 73 89 ASP N 0.556 0.030 74 91 GLY N 0.566 0.051 75 92 SER N 0.425 0.033 76 93 ARG N 0.432 0.032 77 94 LYS N 0.494 0.027 78 95 TRP N 0.553 0.024 79 96 GLY N 0.475 0.051 80 97 ASN N 0.510 0.065 81 99 VAL N 0.545 0.035 82 100 GLU N 0.592 0.036 83 101 LEU N 0.548 0.031 84 102 ALA N 0.650 0.085 85 103 SER N 0.644 0.035 86 104 ASP N 0.441 0.047 87 105 ASP N 0.549 0.050 88 106 ILE N 0.555 0.032 89 107 ILE N 0.532 0.059 90 108 THR N 0.529 0.052 91 109 LEU N 0.492 0.039 92 110 GLY N 0.509 0.023 93 112 THR N 0.419 0.039 94 113 THR N 0.505 0.179 95 114 LYS N 0.559 0.026 96 115 VAL N 0.516 0.063 97 116 TYR N 0.514 0.074 98 117 VAL N 0.456 0.042 99 118 ARG N 0.498 0.034 100 120 SER N 0.564 0.038 101 121 SER N 0.709 0.183 102 122 GLN N 0.392 0.029 103 123 ASN N 0.595 0.077 104 124 GLU N 0.663 0.050 stop_ save_ save_15N_T1_set_2 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $condition_one _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'Kinase-interacting FHA domain of KAPP' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 LEU N 0.690 0.020 2 4 GLY N 0.649 0.033 3 5 SER N 0.626 0.027 4 6 SER N 0.657 0.023 5 7 TRP N 0.703 0.022 6 8 LEU N 0.751 0.021 7 9 PHE N 0.748 0.016 8 10 LEU N 0.844 0.034 9 11 GLU N 0.719 0.016 10 12 VAL N 0.818 0.073 11 14 ALA N 0.753 0.027 12 15 GLY N 0.749 0.016 13 17 ALA N 0.640 0.029 14 18 ILE N 0.886 0.052 15 19 GLY N 0.779 0.079 16 20 LEU N 0.804 0.032 17 21 GLN N 0.746 0.047 18 22 HIS N 0.801 0.040 19 23 ALA N 0.749 0.035 20 24 VAL N 0.697 0.026 21 25 ASN N 0.704 0.015 22 26 SER N 0.723 0.027 23 27 THR N 0.618 0.025 24 28 SER N 0.646 0.012 25 29 SER N 0.724 0.030 26 31 LYS N 0.768 0.015 27 32 LEU N 0.840 0.020 28 34 VAL N 0.738 0.012 29 35 LYS N 0.797 0.021 30 37 GLY N 0.652 0.019 31 39 VAL N 0.725 0.059 32 42 SER N 0.605 0.025 33 44 LEU N 0.752 0.011 34 45 ALA N 0.815 0.011 35 46 LEU N 0.756 0.015 36 47 LYS N 0.688 0.066 37 50 GLU N 0.617 0.032 38 51 VAL N 0.670 0.045 39 54 LYS N 0.755 0.024 40 55 HIS N 0.794 0.034 41 56 ALA N 0.725 0.020 42 57 GLN N 0.759 0.008 43 58 ILE N 0.836 0.043 44 59 THR N 0.739 0.008 45 60 TRP N 0.746 0.013 46 61 ASN N 0.730 0.013 47 62 SER N 0.692 0.018 48 63 THR N 0.834 0.040 49 64 LYS N 0.769 0.016 50 65 PHE N 0.783 0.021 51 66 LYS N 0.761 0.016 52 67 TRP N 0.762 0.018 53 68 GLU N 0.751 0.010 54 69 LEU N 0.732 0.008 55 70 VAL N 0.716 0.018 56 71 ASP N 0.669 0.016 57 72 MET N 0.763 0.021 58 73 GLY N 0.736 0.011 59 74 SER N 0.647 0.037 60 75 LEU N 0.508 0.047 61 76 ASN N 0.637 0.037 62 77 GLY N 0.627 0.017 63 78 THR N 0.668 0.016 64 79 LEU N 0.705 0.024 65 80 VAL N 0.708 0.017 66 81 ASN N 0.727 0.026 67 82 SER N 0.561 0.031 68 83 HIS N 0.712 0.019 69 84 SER N 0.586 0.035 70 85 ILE N 0.653 0.020 71 86 SER N 0.660 0.024 72 87 HIS N 0.622 0.020 73 89 ASP N 0.647 0.028 74 91 GLY N 0.721 0.018 75 92 SER N 0.637 0.026 76 93 ARG N 0.568 0.014 77 94 LYS N 0.694 0.027 78 95 TRP N 0.711 0.029 79 96 GLY N 0.715 0.027 80 97 ASN N 0.782 0.041 81 99 VAL N 0.757 0.015 82 100 GLU N 0.840 0.035 83 101 LEU N 0.803 0.014 84 102 ALA N 0.882 0.022 85 103 SER N 0.845 0.022 86 104 ASP N 0.666 0.033 87 105 ASP N 0.796 0.021 88 106 ILE N 0.729 0.016 89 107 ILE N 0.760 0.025 90 108 THR N 0.723 0.013 91 109 LEU N 0.706 0.015 92 110 GLY N 0.684 0.030 93 112 THR N 0.550 0.021 94 113 THR N 0.567 0.032 95 114 LYS N 0.706 0.013 96 115 VAL N 0.875 0.048 97 116 TYR N 0.728 0.026 98 117 VAL N 0.752 0.049 99 118 ARG N 0.712 0.043 100 120 SER N 0.739 0.027 101 121 SER N 0.544 0.025 102 122 GLN N 0.564 0.012 103 123 ASN N 0.531 0.022 104 124 GLU N 0.726 0.012 stop_ save_ save_15N_T2_set_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $condition_one _Spectrometer_frequency_1H 500 _T2_coherence_type Ny _T2_value_units s _Mol_system_component_name 'Kinase-interacting FHA domain of KAPP' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 3 LEU N 0.2031 0.0136 . . 2 4 GLY N 0.1683 0.0071 . . 3 5 SER N 0.0943 0.0028 . . 4 6 SER N 0.0686 0.0011 . . 5 7 TRP N 0.0701 0.0027 . . 6 8 LEU N 0.0713 0.0015 . . 7 9 PHE N 0.0702 0.0049 . . 8 10 LEU N 0.0633 0.0030 . . 9 11 GLU N 0.0715 0.0074 . . 10 12 VAL N 0.0592 0.0050 . . 11 14 ALA N 0.0706 0.0044 . . 12 15 GLY N 0.0710 0.0010 . . 13 17 ALA N 0.0667 0.0029 . . 14 18 ILE N 0.0599 0.0018 . . 15 19 GLY N 0.0582 0.0082 . . 16 20 LEU N 0.0691 0.0068 . . 17 21 GLN N 0.0812 0.0051 . . 18 22 HIS N 0.0752 0.0054 . . 19 23 ALA N 0.0697 0.0079 . . 20 24 VAL N 0.0594 0.0022 . . 21 25 ASN N 0.0780 0.0027 . . 22 26 SER N 0.0617 0.0032 . . 23 27 THR N 0.0604 0.0011 . . 24 28 SER N 0.0667 0.0018 . . 25 29 SER N 0.0640 0.0018 . . 26 31 LYS N 0.0613 0.0015 . . 27 32 LEU N 0.0713 0.0027 . . 28 34 VAL N 0.0656 0.0012 . . 29 35 LYS N 0.0780 0.0027 . . 30 37 GLY N 0.0737 0.000968 . . 31 39 VAL N 0.0544 0.0066 . . 32 42 SER N 0.0645 0.0027 . . 33 44 LEU N 0.0682 0.0036 . . 34 45 ALA N 0.0650 0.0018 . . 35 46 LEU N 0.0654 0.0030 . . 36 47 LYS N 0.0728 0.0033 . . 37 50 GLU N 0.0628 0.0034 . . 38 51 VAL N 0.0504 0.0083 . . 39 54 LYS N 0.0637 0.0024 . . 40 55 HIS N 0.0770 0.0047 . . 41 56 ALA N 0.0707 0.0029 . . 42 57 GLN N 0.0833 0.0072 . . 43 58 ILE N 0.0790 0.0039 . . 44 59 THR N 0.0684 0.0020 . . 45 60 TRP N 0.0687 0.0017 . . 46 61 ASN N 0.0726 0.0013 . . 47 62 SER N 0.0645 0.000927 . . 48 63 THR N 0.0688 0.0013 . . 49 64 LYS N 0.0677 0.0033 . . 50 65 PHE N 0.0756 0.0011 . . 51 66 LYS N 0.0709 0.0024 . . 52 67 TRP N 0.0716 0.0024 . . 53 68 GLU N 0.0695 0.0031 . . 54 69 LEU N 0.0744 0.0034 . . 55 70 VAL N 0.0799 0.0021 . . 56 71 ASP N 0.0680 0.0038 . . 57 72 MET N 0.0770 0.0024 . . 58 73 GLY N 0.0700 0.0015 . . 59 74 SER N 0.0571 0.0076 . . 60 75 LEU N 0.0694 0.0067 . . 61 76 ASN N 0.0468 0.0033 . . 62 77 GLY N 0.0668 0.0023 . . 63 78 THR N 0.0650 0.0017 . . 64 79 LEU N 0.0641 0.0011 . . 65 80 VAL N 0.0703 0.0023 . . 66 81 ASN N 0.0636 0.0016 . . 67 82 SER N 0.0412 0.0039 . . 68 83 HIS N 0.0642 0.0022 . . 69 84 SER N 0.0599 0.000896 . . 70 85 ILE N 0.0672 0.0032 . . 71 86 SER N 0.0638 0.0020 . . 72 87 HIS N 0.0599 0.000456 . . 73 89 ASP N 0.0628 0.0022 . . 74 91 GLY N 0.0700 0.0035 . . 75 92 SER N 0.0680 0.0014 . . 76 93 ARG N 0.0507 0.0018 . . 77 94 LYS N 0.0658 0.0024 . . 78 95 TRP N 0.0658 0.0038 . . 79 96 GLY N 0.0667 0.0017 . . 80 97 ASN N 0.0677 0.0020 . . 81 99 VAL N 0.0711 0.0015 . . 82 100 GLU N 0.0790 0.000925 . . 83 101 LEU N 0.0719 0.0023 . . 84 102 ALA N 0.0636 0.0019 . . 85 103 SER N 0.0682 0.0033 . . 86 104 ASP N 0.0695 0.0033 . . 87 105 ASP N 0.0634 0.0021 . . 88 106 ILE N 0.0720 0.0022 . . 89 107 ILE N 0.0749 0.0072 . . 90 108 THR N 0.0688 0.0021 . . 91 109 LEU N 0.0689 0.0030 . . 92 110 GLY N 0.0639 0.0019 . . 93 112 THR N 0.0578 0.0034 . . 94 113 THR N 0.0863 0.0096 . . 95 114 LYS N 0.0749 0.0048 . . 96 115 VAL N 0.0755 0.0043 . . 97 116 TYR N 0.0681 0.0027 . . 98 117 VAL N 0.0604 0.0067 . . 99 118 ARG N 0.0745 0.0069 . . 100 120 SER N 0.0688 0.0028 . . 101 121 SER N 0.0655 0.0017 . . 102 122 GLN N 0.0880 0.0031 . . 103 123 ASN N 0.1008 0.0015 . . 104 124 GLU N 0.2250 0.0090 . . stop_ save_ save_15N_T2_set_2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $condition_one _Spectrometer_frequency_1H 600 _T2_coherence_type Ny _T2_value_units s _Mol_system_component_name 'Kinase-interacting FHA domain of KAPP' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 3 LEU N 0.1863 0.0029 . . 2 4 GLY N 0.1507 0.0020 . . 3 5 SER N 0.0946 0.0010 . . 4 6 SER N 0.0635 0.000948 . . 5 7 TRP N 0.0581 0.000658 . . 6 8 LEU N 0.0622 0.0013 . . 7 9 PHE N 0.0535 0.000791 . . 8 10 LEU N 0.0440 0.0020 . . 9 11 GLU N 0.0431 0.000752 . . 10 12 VAL N 0.0427 0.0012 . . 11 14 ALA N 0.0576 0.0019 . . 12 15 GLY N 0.0568 0.000938 . . 13 17 ALA N 0.0562 0.000857 . . 14 18 ILE N 0.0518 0.000598 . . 15 19 GLY N 0.0475 0.0022 . . 16 20 LEU N 0.0554 0.0022 . . 17 21 GLN N 0.0700 0.0059 . . 18 22 HIS N 0.0600 0.000745 . . 19 23 ALA N 0.0484 0.0015 . . 20 24 VAL N 0.0547 0.000478 . . 21 25 ASN N 0.0612 0.0024 . . 22 26 SER N 0.0519 0.000699 . . 23 27 THR N 0.0559 0.000742 . . 24 28 SER N 0.0613 0.000281 . . 25 29 SER N 0.0591 0.000163 . . 26 31 LYS N 0.0561 0.000418 . . 27 32 LEU N 0.0602 0.000468 . . 28 34 VAL N 0.0602 0.000832 . . 29 35 LYS N 0.0736 0.000978 . . 30 36 LEU N 0.0601 0.00058 . . 31 37 GLY N 0.0573 0.000589 . . 32 39 VAL N 0.0483 0.0011 . . 33 42 SER N 0.0612 0.000463 . . 34 43 ASP N 0.0569 0.000989 . . 35 44 LEU N 0.0513 0.0013 . . 36 45 ALA N 0.0564 0.000492 . . 37 46 LEU N 0.0594 0.0011 . . 38 47 LYS N 0.0550 0.0024 . . 39 48 ASP N 0.0642 0.0023 . . 40 50 GLU N 0.0618 0.000345 . . 41 51 VAL N 0.0588 0.000718 . . 42 53 GLY N 0.0495 0.0013 . . 43 54 LYS N 0.0555 0.000562 . . 44 55 HIS N 0.0608 0.0010 . . 45 56 ALA N 0.0604 0.000476 . . 46 57 GLN N 0.0616 0.000758 . . 47 58 ILE N 0.0597 0.00058 . . 48 59 THR N 0.0587 0.000466 . . 49 60 TRP N 0.0612 0.000765 . . 50 61 ASN N 0.0628 0.000587 . . 51 62 SER N 0.0592 0.000692 . . 52 63 THR N 0.0611 0.000313 . . 53 64 LYS N 0.0596 0.000626 . . 54 65 PHE N 0.0570 0.000544 . . 55 66 LYS N 0.0618 0.000937 . . 56 67 TRP N 0.0619 0.000877 . . 57 68 GLU N 0.0585 0.0012 . . 58 69 LEU N 0.0646 0.000816 . . 59 70 VAL N 0.0571 0.000463 . . 60 71 ASP N 0.0612 0.000826 . . 61 72 MET N 0.0727 0.000489 . . 62 73 GLY N 0.0550 0.000668 . . 63 74 SER N 0.0528 0.000568 . . 64 75 LEU N 0.0545 0.0016 . . 65 76 ASN N 0.0556 0.000735 . . 66 77 GLY N 0.0575 0.000834 . . 67 78 THR N 0.0611 0.000696 . . 68 79 LEU N 0.0574 0.0013 . . 69 80 VAL N 0.0581 0.000381 . . 70 81 ASN N 0.0588 0.000811 . . 71 82 SER N 0.0317 0.000852 . . 72 83 HIS N 0.0520 0.000343 . . 73 84 SER N 0.0579 0.000787 . . 74 85 ILE N 0.0578 0.000678 . . 75 86 SER N 0.0588 0.000521 . . 76 87 HIS N 0.0615 0.00071 . . 77 89 ASP N 0.0617 0.000689 . . 78 91 GLY N 0.0665 0.000493 . . 79 92 SER N 0.0644 0.000795 . . 80 93 ARG N 0.0579 0.00058 . . 81 94 LYS N 0.0600 0.000459 . . 82 95 TRP N 0.0582 0.0013 . . 83 96 GLY N 0.0568 0.000727 . . 84 97 ASN N 0.0670 0.000647 . . 85 99 VAL N 0.0604 0.000392 . . 86 100 GLU N 0.0696 0.000829 . . 87 101 LEU N 0.0618 0.000458 . . 88 102 ALA N 0.0576 0.000985 . . 89 103 SER N 0.0639 0.000715 . . 90 104 ASP N 0.0535 0.0020 . . 91 105 ASP N 0.0516 0.000426 . . 92 106 ILE N 0.0621 0.0012 . . 93 107 ILE N 0.0520 0.0013 . . 94 108 THR N 0.0604 0.0011 . . 95 109 LEU N 0.0627 0.0011 . . 96 110 GLY N 0.0607 0.0014 . . 97 112 THR N 0.0575 0.0015 . . 98 113 THR N 0.0569 0.0017 . . 99 114 LYS N 0.0616 0.0023 . . 100 115 VAL N 0.0550 0.0012 . . 101 116 TYR N 0.0503 0.0011 . . 102 117 VAL N 0.0382 0.0027 . . 103 118 ARG N 0.0573 0.0021 . . 104 120 SER N 0.0608 0.0013 . . 105 121 SER N 0.0687 0.000874 . . 106 122 GLN N 0.0688 0.000568 . . 107 123 ASN N 0.0993 0.0022 . . 108 124 GLU N 0.2109 0.0055 . . stop_ save_ save_heteronuclear_NOE_set_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $condition_one _Spectrometer_frequency_1H 500 _Mol_system_component_name 'Kinase-interacting FHA domain of KAPP' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1 _NOE_reference_description 'internal reference' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 LEU -0.200 0.122 4 GLY -0.016 0.052 5 SER 0.371 0.031 6 SER 0.638 0.035 7 TRP 0.801 0.076 8 LEU 0.545 0.049 9 PHE 0.815 0.060 10 LEU 0.678 0.108 11 GLU 0.401 0.113 12 VAL 0.871 0.051 14 ALA 0.706 0.098 15 GLY 0.693 0.040 17 ALA 0.757 0.085 18 ILE 0.737 0.086 19 GLY 0.563 0.099 20 LEU 0.517 0.048 21 GLN 0.509 0.021 22 HIS 0.710 0.073 23 ALA 0.867 0.026 24 VAL 0.767 0.062 25 ASN 0.777 0.038 26 SER 0.750 0.004 27 THR 0.743 0.009 28 SER 0.706 0.011 29 SER 0.524 0.011 31 LYS 0.660 0.032 32 LEU 0.688 0.020 34 VAL 0.798 0.011 35 LYS 0.688 0.004 39 VAL 0.553 0.030 42 SER 0.632 0.033 44 LEU 0.732 0.019 45 ALA 0.701 0.035 47 LYS 0.834 0.086 50 GLU 0.685 0.054 54 LYS 0.649 0.032 55 HIS 0.782 0.023 56 ALA 0.760 0.038 57 GLN 0.658 0.046 58 ILE 0.766 0.049 59 THR 0.783 0.022 60 TRP 0.692 0.047 61 ASN 0.714 0.042 62 SER 0.688 0.015 63 THR 0.648 0.027 64 LYS 0.735 0.004 65 PHE 0.698 0.005 66 LYS 0.728 0.049 67 TRP 0.790 0.027 68 GLU 0.798 0.044 69 LEU 0.697 0.069 70 VAL 0.573 0.012 71 ASP 0.817 0.040 72 MET 0.637 0.026 73 GLY 0.768 0.019 77 GLY 0.779 0.018 78 THR 0.777 0.058 79 LEU 0.789 0.020 80 VAL 0.716 0.020 81 ASN 0.805 0.037 82 SER 0.699 0.074 83 HIS 0.705 0.015 84 SER 0.781 0.032 85 ILE 0.673 0.060 86 SER 0.523 0.020 87 HIS 0.756 0.034 91 GLY 0.402 0.013 92 SER 0.408 0.083 94 LYS 0.619 0.047 95 TRP 0.715 0.068 96 GLY 0.757 0.006 97 ASN 0.669 0.038 99 VAL 0.763 0.062 100 GLU 0.583 0.061 101 LEU 0.554 0.064 102 ALA 0.764 0.048 103 SER 0.770 0.060 105 ASP 0.826 0.022 106 ILE 0.736 0.066 107 ILE 0.827 0.086 108 THR 0.797 0.034 110 GLY 0.720 0.041 113 THR 0.685 0.029 114 LYS 0.775 0.087 115 VAL 0.782 0.072 117 VAL 0.693 0.068 118 ARG 0.718 0.055 120 SER 0.714 0.049 121 SER 0.639 0.080 122 GLN 0.321 0.061 123 ASN 0.317 0.042 stop_ save_ save_heteronuclear_NOE_set_2 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $condition_one _Spectrometer_frequency_1H 600 _Mol_system_component_name 'Kinase-interacting FHA domain of KAPP' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1 _NOE_reference_description 'internal reference' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 LEU -0.273 0.002 4 GLY -0.056 0.014 5 SER 0.493 0.017 6 SER 0.814 0.017 7 TRP 0.819 0.050 8 LEU 0.812 0.020 9 PHE 0.803 0.018 10 LEU 0.786 0.020 11 GLU 0.770 0.028 12 VAL 0.769 0.017 14 ALA 0.809 0.003 15 GLY 0.821 0.043 17 ALA 0.835 0.047 18 ILE 0.805 0.035 19 GLY 0.735 0.046 20 LEU 0.845 0.012 21 GLN 0.734 0.091 22 HIS 0.835 0.054 23 ALA 0.835 0.087 25 ASN 0.817 0.058 27 THR 0.823 0.033 28 SER 0.764 0.008 29 SER 0.592 0.006 31 LYS 0.766 0.015 32 LEU 0.775 0.011 34 VAL 0.832 0.044 35 LYS 0.801 0.004 37 GLY 0.811 0.025 39 VAL 0.799 0.090 42 SER 0.709 0.005 44 LEU 0.794 0.050 45 ALA 0.817 0.059 46 LEU 0.782 0.014 47 LYS 0.749 0.110 50 GLU 0.732 0.064 51 VAL 0.835 0.006 54 LYS 0.779 0.007 55 HIS 0.764 0.045 56 ALA 0.803 0.011 57 GLN 0.822 0.003 58 ILE 0.802 0.012 59 THR 0.834 0.029 60 TRP 0.780 0.013 61 ASN 0.819 0.013 62 SER 0.823 0.006 63 THR 0.724 0.009 64 LYS 0.788 0.010 65 PHE 0.792 0.042 66 LYS 0.812 0.064 67 TRP 0.808 0.035 68 GLU 0.810 0.001 69 LEU 0.828 0.016 70 VAL 0.789 0.012 71 ASP 0.852 0.022 72 MET 0.709 0.007 73 GLY 0.774 0.060 75 LEU 0.853 0.010 76 ASN 0.868 0.018 77 GLY 0.832 0.007 78 THR 0.806 0.076 79 LEU 0.828 0.012 80 VAL 0.829 0.021 81 ASN 0.821 0.035 82 SER 0.850 0.023 83 HIS 0.805 0.013 84 SER 0.837 0.021 85 ILE 0.842 0.004 86 SER 0.824 0.007 87 HIS 0.828 0.016 89 ASP 0.738 0.010 91 GLY 0.516 0.0004648 92 SER 0.764 0.009 93 ARG 0.774 0.005 94 LYS 0.751 0.004 95 TRP 0.785 0.0007224 96 GLY 0.820 0.013 97 ASN 0.811 0.030 99 VAL 0.807 0.013 100 GLU 0.715 0.045 101 LEU 0.819 0.010 102 ALA 0.770 0.051 103 SER 0.807 0.030 104 ASP 0.841 0.029 105 ASP 0.810 0.035 106 ILE 0.798 0.001 107 ILE 0.859 0.050 108 THR 0.816 0.006 109 LEU 0.824 0.021 110 GLY 0.806 0.025 112 THR 0.771 0.040 114 LYS 0.820 0.038 115 VAL 0.820 0.018 116 TYR 0.824 0.059 117 VAL 0.835 0.069 118 ARG 0.805 0.023 120 SER 0.789 0.060 121 SER 0.708 0.044 122 GLN 0.613 0.024 123 ASN 0.729 0.003 124 GLU -0.039 0.012 stop_ save_ save_S2_parameters_label _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $condition_one _Mol_system_component_name 'Kinase-interacting FHA domain of KAPP' _Tau_e_value_units ns _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 3 LEU N . 0.260 . 0.480 0.038 . . . . . . . . . . 4 GLY N . 0.188 . 0.602 0.071 . . . . . . . . . . 5 SER N . 0.537 . 1.457 0.048 . . . . . . . . . . 6 SER N . 0.889 . 1.537 0.337 . . . . . . . . . . 7 TRP N . 0.994 . 0.075 0.350 . . . . . . . . . . 8 LEU N . 0.949 . 0.560 0.334 . . . . . . . . . . 9 PHE N . 0.960 . . . . . . . . . . . . . 10 LEU N . 0.866 . . . . . . . . . . . . . 11 GLU N . 0.992 . . . . . . . . . . . . . 12 VAL N . 0.913 . 0.039 0.056 . . . . . . . . . . 14 ALA N . 0.980 . . . . . . . . . . . . . 15 GLY N . 0.994 . . . . . . . . . . . . . 17 ALA N . 0.910 . 1.641 0.540 . . . . . . . . . . 18 ILE N . 0.921 . . . . . . . . . . . . . 19 GLY N . 0.929 . 0.223 0.134 . . . . . . . . . . 20 LEU N . 0.963 . . . . . . . . . . . . . 21 GLN N . 0.834 . 1.057 0.232 . . . . . . . . . . 22 HIS N . 0.908 . . . . . . . . . . . . . 23 ALA N . 0.958 . . . . . . . . . . . . . 24 VAL N . 0.996 . . . . . . . . . . . . . 25 ASN N . 0.993 . 0.139 0.476 . . . . . . . . . . 26 SER N . 0.985 . . . . . . . . . . . . . 27 THR N . 0.888 . 1.785 0.328 . . . . . . . . . . 28 SER N . 0.871 . 1.873 0.170 . . . . . . . . . . 29 SER N . 0.844 . 0.118 0.047 . . . . . . . . . . 31 LYS N . 0.981 . . . . . . . . . . . . . 32 LEU N . 0.969 . . . . . . . . . . . . . 34 VAL N . 0.996 . . . . . . . . . . . . . 35 LYS N . 0.852 . 0.030 0.009 . . . . . . . . . . 37 GLY N . 0.999 . 0.024 0.202 . . . . . . . . . . 39 VAL N . 0.972 . . . . . . . . . . . . . 42 SER N . 0.775 . 1.913 0.127 . . . . . . . . . . 44 LEU N . 0.949 . . . . . . . . . . . . . 45 ALA N . 0.882 . . . . . . . . . . . . . 46 LEU N . 0.992 . . . . . . . . . . . . . 47 LYS N . 0.985 . . . . . . . . . . . . . 50 GLU N . 0.869 . 1.606 0.449 . . . . . . . . . . 51 VAL N . 0.973 . . . . . . . . . . . . . 54 LYS N . 0.959 . . . . . . . . . . . . . 55 HIS N . 0.921 . 0.039 0.045 . . . . . . . . . . 56 ALA N . 0.997 . . . . . . . . . . . . . 57 GLN N . 0.965 . . . . . . . . . . . . . 58 ILE N . 0.997 . . . . . . . . . . . . . 59 THR N . 0.998 . . . . . . . . . . . . . 60 TRP N . 0.990 . . . . . . . . . . . . . 61 ASN N . 0.964 . 0.952 0.468 . . . . . . . . . . 62 SER N . 0.938 . 1.348 0.460 . . . . . . . . . . 63 THR N . 0.947 . 0.309 0.098 . . . . . . . . . . 64 LYS N . 0.995 . . . . . . . . . . . . . 65 PHE N . 1.000 . 0.000382 0.008 . . . . . . . . . . 66 LYS N . 0.975 . . . . . . . . . . . . . 67 TRP N . 0.999 . 0.027 0.217 . . . . . . . . . . 68 GLU N . 0.992 . . . . . . . . . . . . . 69 LEU N . 0.962 . 0.078 0.078 . . . . . . . . . . 70 VAL N . 0.997 . . . . . . . . . . . . . 71 ASP N . 1.000 . 0.001 0.014 . . . . . . . . . . 72 MET N . 0.855 . 0.061 0.011 . . . . . . . . . . 73 GLY N . 1.000 . 0.001 0.020 . . . . . . . . . . 75 LEU N . 0.988 . 0.015 0.055 . . . . . . . . . . 76 ASN N . 0.994 . . . . . . . . . . . . . 77 GLY N . 0.891 . 1.829 0.261 . . . . . . . . . . 78 THR N . 1.000 . 0.001 0.021 . . . . . . . . . . 79 LEU N . 0.991 . . . . . . . . . . . . . 80 VAL N . 0.997 . . . . . . . . . . . . . 81 ASN N . 0.995 . . . . . . . . . . . . . 82 SER N . 0.867 . 1.729 0.406 . . . . . . . . . . 83 HIS N . 0.991 . . . . . . . . . . . . . 84 SER N . 0.999 . 0.000347 0.004 . . . . . . . . . . 85 ILE N . 0.996 . 0.003 0.018 . . . . . . . . . . 86 SER N . 0.785 . 1.554 0.146 . . . . . . . . . . 87 HIS N . 0.911 . 1.753 0.408 . . . . . . . . . . 89 ASP N . 0.971 . 0.330 0.128 . . . . . . . . . . 91 GLY N . 0.831 . 0.626 0.114 . . . . . . . . . . 92 SER N . 0.931 . 1.345 0.598 . . . . . . . . . . 93 ARG N . 0.730 . 1.898 0.137 . . . . . . . . . . 94 LYS N . 0.890 . 1.344 0.351 . . . . . . . . . . 95 TRP N . 0.988 . . . . . . . . . . . . . 96 GLY N . 0.986 . . . . . . . . . . . . . 97 ASN N . 0.894 . . . . . . . . . . . . . 99 VAL N . 0.998 . . . . . . . . . . . . . 100 GLU N . 0.887 . 0.061 0.019 . . . . . . . . . . 101 LEU N . 0.962 . . . . . . . . . . . . . 102 ALA N . 0.875 . . . . . . . . . . . . . 103 SER N . 0.911 . . . . . . . . . . . . . 104 ASP N . 0.987 . . . . . . . . . . . . . 105 ASP N . 0.968 . . . . . . . . . . . . . 106 ILE N . 0.989 . . . . . . . . . . . . . 107 ILE N . 0.945 . . . . . . . . . . . . . 108 THR N . 0.998 . 0.059 0.298 . . . . . . . . . . 109 LEU N . 0.995 . . . . . . . . . . . . . 110 GLY N . 0.992 . . . . . . . . . . . . . 112 THR N . 0.743 . 1.882 0.161 . . . . . . . . . . 114 LYS N . 0.994 . . . . . . . . . . . . . 115 VAL N . 0.839 . . . . . . . . . . . . . 116 TYR N . 0.977 . . . . . . . . . . . . . 117 VAL N . 0.979 . . . . . . . . . . . . . 118 ARG N . 0.989 . . . . . . . . . . . . . 120 SER N . 0.993 . . . . . . . . . . . . . 121 SER N . 0.744 . 1.872 0.173 . . . . . . . . . . 122 GLN N . 0.639 . 1.491 0.097 . . . . . . . . . . 123 ASN N . 0.486 . 1.786 0.099 . . . . . . . . . . stop_ _Tau_s_value_units ns save_