data_6209 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of a Calmodulin-Like Calcium-Binding Domain from Arabidopsis thaliana ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Song Jikui . . 2 Zhao Qin . . 3 Thao Sandy . . 4 Frederick Ronnie O. . 5 Markley John L. . stop_ _BMRB_accession_number 6209 _BMRB_flat_file_name bmr6209.str _Entry_type new _Submission_date 2004-05-19 _Accession_date 2004-05-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 residual_dipolar_couplings 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 341 '15N chemical shifts' 69 '13C chemical shifts' 261 'residual dipolar couplings' 55 stop_ save_ ############################# # Citation for this entry # ############################# save_citation _Saveframe_category entry_citation _Citation_title ; Solution Structure of a Calmodulin-Like Calcium-Binding Domain from Arabidopsis thaliana ; _Citation_status "in preparation" _Citation_type journal _MEDLINE_UI_code ? _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Song Jikui . . 2 Zhao Qin . . 3 Thao Sandy . . 4 Frederick Ronnie O. . 5 Markley John L. . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume ? _Journal_issue ? _Page_first ? _Page_last ? _Year ? save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "N-domain of At3g03410.1" _Abbreviation_common "N-domain of At3g03410.1" _Enzyme_commission_number ? loop_ _Mol_system_component_name _Mol_label "Calmodulin like protein" $Calmodulin_like_protein stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "all free" save_ ######################## # Monomeric polymers # ######################## save_Calmodulin_like_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "N-terminal domain of At3g03410.1" _Name_variant "N-terminal domain of At3g03410.1" _Abbreviation_common "N-terminal domain of At3g03410.1" _Mol_thiol_state "all free" ############################## # Polymer residue sequence # ############################## _Residue_count 67 _Mol_residue_sequence ; SSAKRVFEKFDKNKDGKLSL DEFREVALAFSPYFTQEDIV KFFEEIDVDGNGELNADEFT SCIEKML ; loop_ _Residue_seq_code _Residue_label 1 SER 2 SER 3 ALA 4 LYS 5 ARG 6 VAL 7 PHE 8 GLU 9 LYS 10 PHE 11 ASP 12 LYS 13 ASN 14 LYS 15 ASP 16 GLY 17 LYS 18 LEU 19 SER 20 LEU 21 ASP 22 GLU 23 PHE 24 ARG 25 GLU 26 VAL 27 ALA 28 LEU 29 ALA 30 PHE 31 SER 32 PRO 33 TYR 34 PHE 35 THR 36 GLN 37 GLU 38 ASP 39 ILE 40 VAL 41 LYS 42 PHE 43 PHE 44 GLU 45 GLU 46 ILE 47 ASP 48 VAL 49 ASP 50 GLY 51 ASN 52 GLY 53 GLU 54 LEU 55 ASN 56 ALA 57 ASP 58 GLU 59 PHE 60 THR 61 SER 62 CYS 63 ILE 64 GLU 65 LYS 66 MET 67 LEU stop_ _Sequence_homology_query_date 2004-07-24 _Sequence_homology_query_revised_last_date 2004-07-16 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 GenBank AAF01604.1 "calmodulin-like protein [Arabidopsisthaliana]" 51.15 131 100 100 3e-31 REF NP_186991.1 "calmodulin-related protein, putative[Arabidopsis thaliana]" 51.15 131 100 100 3e-31 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Calmodulin_like_protein '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_type _Vector_name $Calmodulin_like_protein 'recombinant technology' "E. coli" Escherichia coli . plasmid pDEST17 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Calmodulin_like_protein 1 mM '[U-15N]' DTT 5 mM . Bis-Tris 20 mM . CaCl2 5 mM . DSS 1 mM . stop_ save_ save_2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Calmodulin_like_protein 1 mM '[U-15N; U-13C]' DTT 5 mM . Bis-Tris 20 mM . CaCl2 5 mM . DSS 1 mM . stop_ save_ save_3 _Saveframe_category sample _Sample_type solution _Details ; Dissolved in 5% Pentaethylene Glycol Monododecyl Ether (weakly aligned medium) ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Calmodulin_like_protein 1 mM '[U-15N; U-13C]' DTT 5 mM . Bis-Tris 20 mM . CaCl2 5 mM . DSS 1 mM . PEG 5 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.2 _Vendor Bruker loop_ _Task "Data collection" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; HNCACB HN(CO)CACB N15 edited NOESY N15 edited TOCSY IPAP-HSQC ; save_ ####################### # Sample conditions # ####################### save_Conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.4 0.2 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference 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 H 1 "methyl protons" ppm 0.00 indirect internal ? ? ? ? DSS N 15 "methyl protons" ppm 0.00 indirect . . . . 0.101329118 DSS C 13 "methyl protons" ppm 0.00 indirect . . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "Calmodulin like protein" loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 SER C C 175.508 0.10 1 2 2 SER CA C 59.472 0.10 1 3 2 SER CB C 63.633 0.10 1 4 2 SER HA H 4.596 0.05 1 5 2 SER HB2 H 4.040 0.05 2 6 2 SER HB3 H 4.101 0.05 2 7 3 ALA C C 179.029 0.10 1 8 3 ALA CA C 55.439 0.10 1 9 3 ALA CB C 19.431 0.10 1 10 3 ALA HA H 4.215 0.05 1 11 3 ALA H H 8.997 0.05 1 12 3 ALA N N 126.234 0.10 1 13 3 ALA HB H 1.570 0.05 1 14 4 LYS C C 178.197 0.05 1 15 4 LYS CA C 59.215 0.10 1 16 4 LYS CB C 32.518 0.10 1 17 4 LYS CD C 29.307 0.10 1 18 4 LYS CE C 42.150 0.10 1 19 4 LYS CG C 25.313 0.10 1 20 4 LYS HA H 4.126 0.05 1 21 4 LYS HB2 H 1.948 0.05 2 22 4 LYS HD2 H 1.726 0.05 2 23 4 LYS HE2 H 3.027 0.05 2 24 4 LYS HG2 H 1.540 0.05 2 25 4 LYS H H 8.236 0.05 1 26 4 LYS N N 119.550 0.10 1 27 5 ARG C C 179.538 0.10 1 28 5 ARG CA C 58.836 0.10 1 29 5 ARG CB C 30.164 0.10 1 30 5 ARG CD C 43.433 0.10 1 31 5 ARG CG C 27.627 0.10 1 32 5 ARG HA H 4.308 0.05 1 33 5 ARG HB2 H 2.105 0.05 2 34 5 ARG HD2 H 3.344 0.05 2 35 5 ARG HG2 H 1.858 0.05 2 36 5 ARG HG3 H 1.806 0.05 2 37 5 ARG H H 7.900 0.05 2 38 5 ARG N N 119.852 0.10 1 39 6 VAL C C 176.961 0.10 1 40 6 VAL CA C 66.918 0.10 1 41 6 VAL CB C 32.371 0.10 1 42 6 VAL CG1 C 23.139 0.20 1 43 6 VAL HA H 3.871 0.05 1 44 6 VAL HB H 2.527 0.05 1 45 6 VAL H H 8.100 0.05 1 46 6 VAL N N 122.024 0.05 1 47 6 VAL HG1 H 1.308 0.10 2 48 7 PHE C C 176.425 0.10 1 49 7 PHE CA C 62.189 0.10 1 50 7 PHE CB C 39.222 0.10 1 51 7 PHE HA H 3.464 0.05 1 52 7 PHE HB2 H 3.081 0.05 2 53 7 PHE HB3 H 3.438 0.05 2 54 7 PHE H H 8.359 0.05 1 55 7 PHE N N 121.905 0.05 1 56 7 PHE HD1 H 6.834 0.05 4 57 7 PHE HE1 H 6.967 0.05 4 58 8 GLU C C 179.048 0.10 1 59 8 GLU CA C 59.150 0.10 1 60 8 GLU CB C 29.955 0.10 1 61 8 GLU CG C 37.012 0.10 1 62 8 GLU HA H 4.059 0.05 1 63 8 GLU HB2 H 2.229 0.05 2 64 8 GLU HB3 H 2.124 0.05 2 65 8 GLU HG2 H 2.729 0.05 2 66 8 GLU HG3 H 2.471 0.05 2 67 8 GLU H H 8.211 0.05 1 68 8 GLU N N 115.687 0.10 1 69 9 LYS C C 178.025 0.10 1 70 9 LYS CA C 58.741 0.10 1 71 9 LYS CB C 32.460 0.10 1 72 9 LYS CD C 29.474 0.10 1 73 9 LYS CE C 42.160 0.10 1 74 9 LYS CG C 24.576 0.20 1 75 9 LYS HA H 3.902 0.05 1 76 9 LYS HB2 H 1.816 0.05 2 77 9 LYS HD2 H 1.509 0.05 2 78 9 LYS HD3 H 1.442 0.05 2 79 9 LYS HE2 H 2.722 0.05 2 80 9 LYS HG2 H 1.063 0.05 2 81 9 LYS HG3 H 0.557 0.05 2 82 9 LYS H H 7.814 0.05 1 83 9 LYS N N 119.885 0.10 1 84 10 PHE C C 175.164 0.10 1 85 10 PHE CA C 59.402 0.10 1 86 10 PHE CB C 39.474 0.10 1 87 10 PHE HA H 4.385 0.05 1 88 10 PHE HB2 H 3.168 0.05 2 89 10 PHE HB3 H 2.370 0.05 2 90 10 PHE H H 7.519 0.05 1 91 10 PHE N N 114.808 0.10 1 92 11 ASP C C 177.621 0.10 1 93 11 ASP CA C 52.638 0.10 1 94 11 ASP CB C 38.058 0.10 1 95 11 ASP HA H 4.572 0.05 1 96 11 ASP HB2 H 2.836 0.05 2 97 11 ASP HB3 H 2.027 0.05 2 98 11 ASP H H 7.489 0.05 1 99 11 ASP N N 122.545 0.05 1 100 12 LYS C C 177.745 0.10 1 101 12 LYS CA C 59.173 0.10 1 102 12 LYS CB C 33.086 0.10 1 103 12 LYS CD C 29.017 0.10 1 104 12 LYS CE C 42.105 0.10 1 105 12 LYS CG C 25.067 0.10 1 106 12 LYS HA H 4.007 0.05 1 107 12 LYS HB2 H 1.989 0.05 2 108 12 LYS HD2 H 1.808 0.05 2 109 12 LYS HE2 H 3.105 0.05 2 110 12 LYS HG2 H 1.556 0.05 2 111 12 LYS HG3 H 1.670 0.05 2 112 12 LYS H H 7.682 0.05 1 113 12 LYS N N 128.363 0.10 1 114 13 ASN C C 174.506 0.10 1 115 13 ASN CA C 51.740 0.10 1 116 13 ASN CB C 36.747 0.10 1 117 13 ASN HA H 4.833 0.05 1 118 13 ASN HB2 H 3.344 0.05 2 119 13 ASN HB3 H 2.854 0.05 2 120 13 ASN HD21 H 8.057 0.05 2 121 13 ASN HD22 H 6.712 0.05 2 122 13 ASN H H 7.946 0.05 1 123 13 ASN N N 113.684 0.10 1 124 13 ASN ND2 N 114.876 0.10 1 125 14 LYS C C 175.752 0.10 1 126 14 LYS CA C 57.023 0.20 1 127 14 LYS CB C 29.305 0.10 1 128 14 LYS CD C 28.917 0.10 1 129 14 LYS CE C 42.554 0.10 1 130 14 LYS CG C 24.837 0.20 1 131 14 LYS HA H 3.970 0.05 1 132 14 LYS HB2 H 1.999 0.05 2 133 14 LYS HD2 H 1.825 0.05 2 134 14 LYS HD3 H 1.729 0.05 2 135 14 LYS HE2 H 3.088 0.05 2 136 14 LYS HE3 H 3.060 0.05 2 137 14 LYS HG2 H 1.426 0.05 2 138 14 LYS H H 7.746 0.05 1 139 14 LYS N N 116.760 0.10 1 140 15 ASP C C 178.137 0.10 1 141 15 ASP CA C 52.873 0.10 1 142 15 ASP CB C 40.852 0.10 1 143 15 ASP HA H 4.779 0.05 1 144 15 ASP HB2 H 3.131 0.05 2 145 15 ASP HB3 H 2.482 0.05 2 146 15 ASP H H 8.311 0.05 1 147 15 ASP N N 118.730 0.10 1 148 16 GLY C C 173.227 0.10 1 149 16 GLY CA C 46.050 0.10 1 150 16 GLY HA2 H 3.753 0.05 2 151 16 GLY HA3 H 4.266 0.05 2 152 16 GLY H H 10.545 0.05 1 153 16 GLY N N 114.350 0.10 1 154 17 LYS C C 175.723 0.10 1 155 17 LYS CA C 53.939 0.10 1 156 17 LYS CB C 36.070 0.10 1 157 17 LYS CD C 29.255 0.10 1 158 17 LYS CE C 42.464 0.10 1 159 17 LYS CG C 24.005 0.10 1 160 17 LYS HA H 5.341 0.05 1 161 17 LYS HB2 H 1.618 0.05 2 162 17 LYS HD2 H 1.456 0.05 2 163 17 LYS HD3 H 1.646 0.05 2 164 17 LYS HE2 H 2.965 0.05 2 165 17 LYS HG2 H 1.314 0.05 2 166 17 LYS H H 7.979 0.05 1 167 17 LYS N N 119.026 0.10 1 168 18 LEU C C 177.150 0.10 1 169 18 LEU CA C 53.173 0.10 1 170 18 LEU CB C 43.433 0.10 1 171 18 LEU CD1 C 22.941 0.10 1 172 18 LEU CD2 C 26.893 0.10 1 173 18 LEU CG C 26.606 0.10 1 174 18 LEU HA H 5.745 0.05 1 175 18 LEU HB2 H 1.863 0.05 2 176 18 LEU HB3 H 1.516 0.05 2 177 18 LEU HG H 1.171 0.05 1 178 18 LEU H H 9.731 0.05 1 179 18 LEU N N 124.947 0.10 1 180 18 LEU HD1 H 0.353 0.05 2 181 18 LEU HD2 H 0.342 0.05 2 182 19 SER C C 175.336 0.10 1 183 19 SER CA C 56.191 0.10 1 184 19 SER CB C 65.840 0.10 1 185 19 SER HA H 4.936 0.05 1 186 19 SER HB2 H 4.509 0.05 2 187 19 SER HB3 H 4.086 0.05 2 188 19 SER H H 9.006 0.05 1 189 19 SER N N 121.155 0.10 1 190 20 LEU C C 178.403 0.10 1 191 20 LEU CA C 59.179 0.10 1 192 20 LEU CB C 40.624 0.10 1 193 20 LEU CD1 C 25.737 0.10 1 194 20 LEU CD2 C 23.213 0.10 1 195 20 LEU CG C 27.217 0.20 1 196 20 LEU HA H 3.631 0.05 1 197 20 LEU HB2 H 1.542 0.05 2 198 20 LEU HB3 H 0.712 0.05 2 199 20 LEU HG H 1.277 0.05 1 200 20 LEU H H 9.070 0.05 1 201 20 LEU N N 124.998 0.10 1 202 20 LEU HD1 H 0.745 0.05 2 203 20 LEU HD2 H 0.562 0.05 2 204 21 ASP C C 179.341 0.10 1 205 21 ASP CA C 57.531 0.10 1 206 21 ASP CB C 40.600 0.10 1 207 21 ASP HA H 4.384 0.05 1 208 21 ASP HB2 H 2.695 0.05 2 209 21 ASP HB3 H 2.623 0.05 2 210 21 ASP H H 8.283 0.05 1 211 21 ASP N N 117.675 0.10 1 212 22 GLU C C 179.693 0.10 1 213 22 GLU CA C 58.431 0.10 1 214 22 GLU CB C 30.637 0.10 1 215 22 GLU CG C 37.177 0.20 1 216 22 GLU HA H 4.447 0.05 1 217 22 GLU HB2 H 2.490 0.05 2 218 22 GLU HB3 H 2.389 0.05 2 219 22 GLU HG2 H 2.637 0.05 2 220 22 GLU HG3 H 2.452 0.05 2 221 22 GLU H H 7.695 0.05 1 222 22 GLU N N 120.933 0.10 1 223 23 PHE C C 176.259 0.10 1 224 23 PHE CA C 61.285 0.10 1 225 23 PHE CB C 40.173 0.10 1 226 23 PHE HA H 4.130 0.05 1 227 23 PHE HB2 H 3.324 0.05 2 228 23 PHE HB3 H 3.379 0.05 2 229 23 PHE H H 9.264 0.05 1 230 23 PHE N N 121.354 0.10 1 231 23 PHE HD1 H 7.120 0.10 4 232 23 PHE HE1 H 7.256 0.10 4 233 24 ARG C C 176.966 0.10 1 234 24 ARG CA C 60.160 0.10 1 235 24 ARG CB C 29.848 0.10 1 236 24 ARG CD C 43.445 0.10 1 237 24 ARG CG C 27.879 0.10 1 238 24 ARG HA H 3.794 0.05 1 239 24 ARG HB2 H 2.042 0.05 2 240 24 ARG HD2 H 3.378 0.05 2 241 24 ARG HE H 7.450 0.05 1 242 24 ARG HG2 H 1.614 0.05 2 243 24 ARG HG3 H 1.835 0.05 2 244 24 ARG H H 8.794 0.05 1 245 24 ARG N N 121.286 0.10 1 246 24 ARG NE N 85.774 0.10 1 247 25 GLU C C 178.796 0.10 1 248 25 GLU CA C 59.037 0.10 1 249 25 GLU CB C 29.421 0.10 1 250 25 GLU CG C 36.544 0.10 1 251 25 GLU HA H 4.034 0.05 1 252 25 GLU HB2 H 2.374 0.05 2 253 25 GLU HG2 H 2.650 0.05 2 254 25 GLU HG3 H 2.420 0.05 2 255 25 GLU H H 6.959 0.05 1 256 25 GLU N N 114.590 0.10 1 257 26 VAL C C 177.161 0.10 1 258 26 VAL CA C 64.947 0.10 1 259 26 VAL CB C 30.652 0.10 1 260 26 VAL CG1 C 21.327 0.20 1 261 26 VAL CG2 C 22.445 0.10 1 262 26 VAL HA H 2.546 0.05 1 263 26 VAL HB H 1.725 0.05 1 264 26 VAL H H 6.921 0.05 1 265 26 VAL N N 121.223 0.10 1 266 26 VAL HG1 H 0.685 0.05 2 267 26 VAL HG2 H 0.476 0.05 2 268 27 ALA C C 179.512 0.10 1 269 27 ALA CA C 55.443 0.10 1 270 27 ALA CB C 17.938 0.10 1 271 27 ALA HA H 3.764 0.05 1 272 27 ALA H H 7.739 0.05 1 273 27 ALA N N 121.408 0.10 1 274 27 ALA HB H 1.093 0.05 1 275 28 LEU C C 178.908 0.10 1 276 28 LEU CA C 56.400 0.10 1 277 28 LEU CB C 41.710 0.10 1 278 28 LEU CD1 C 23.155 0.10 1 279 28 LEU CD2 C 25.752 0.10 1 280 28 LEU CG C 27.239 0.10 1 281 28 LEU HA H 4.504 0.05 1 282 28 LEU HB2 H 1.750 0.05 2 283 28 LEU HB3 H 1.470 0.05 2 284 28 LEU HG H 1.899 0.05 1 285 28 LEU H H 7.969 0.05 1 286 28 LEU N N 116.595 0.05 1 287 28 LEU HD1 H 1.064 0.05 2 288 28 LEU HD2 H 0.893 0.05 2 289 29 ALA C C 179.310 0.10 1 290 29 ALA CA C 54.075 0.10 1 291 29 ALA CB C 18.240 0.10 1 292 29 ALA HA H 4.170 0.05 1 293 29 ALA H H 7.408 0.05 1 294 29 ALA N N 122.153 0.05 1 295 29 ALA HB H 1.475 0.05 1 296 30 PHE C C 178.397 0.10 1 297 30 PHE CA C 60.178 0.10 1 298 30 PHE CB C 39.847 0.10 1 299 30 PHE HA H 4.530 0.05 1 300 30 PHE HB2 H 3.369 0.05 2 301 30 PHE HB3 H 3.171 0.05 2 302 30 PHE H H 7.687 0.05 1 303 30 PHE N N 118.401 0.30 1 304 31 SER CA C 59.230 0.10 1 305 31 SER CB C 64.944 0.10 1 306 31 SER HA H 4.683 0.05 1 307 31 SER H H 8.303 0.05 1 308 31 SER N N 114.908 0.20 1 309 32 PRO C C 176.673 0.10 1 310 32 PRO CA C 63.523 0.10 1 311 32 PRO CB C 31.780 0.10 1 312 32 PRO CD C 50.609 0.10 1 313 32 PRO CG C 26.283 0.10 1 314 32 PRO HA H 4.565 0.05 1 315 32 PRO HB2 H 2.189 0.05 2 316 32 PRO HB3 H 1.521 0.05 2 317 32 PRO HD2 H 3.558 0.05 2 318 32 PRO HD3 H 3.503 0.05 2 319 32 PRO HG2 H 1.829 0.05 2 320 32 PRO HG3 H 1.205 0.05 2 321 33 TYR C C 176.386 0.10 1 322 33 TYR CA C 57.221 0.10 1 323 33 TYR CB C 38.236 0.10 1 324 33 TYR HA H 4.595 0.05 1 325 33 TYR HB2 H 3.292 0.05 2 326 33 TYR HB3 H 2.634 0.05 2 327 33 TYR H H 7.310 0.05 1 328 33 TYR N N 117.121 0.10 1 329 33 TYR HD1 H 7.040 0.05 4 330 33 TYR HE1 H 6.959 0.05 4 331 34 PHE C C 176.786 0.10 1 332 34 PHE CA C 57.270 0.10 1 333 34 PHE CB C 39.890 0.10 1 334 34 PHE HA H 5.071 0.05 1 335 34 PHE HB2 H 3.359 0.05 2 336 34 PHE HB3 H 3.006 0.05 2 337 34 PHE H H 7.246 0.05 1 338 34 PHE N N 121.144 0.10 1 339 34 PHE HD1 H 7.287 0.05 4 340 34 PHE HE1 H 7.445 0.05 4 341 35 THR C C 175.702 0.10 1 342 35 THR CA C 60.359 0.10 1 343 35 THR CB C 71.586 0.10 1 344 35 THR CG2 C 22.143 0.10 1 345 35 THR HA H 4.628 0.05 1 346 35 THR HB H 4.812 0.05 1 347 35 THR H H 9.221 0.05 1 348 35 THR N N 115.550 0.05 1 349 35 THR HG2 H 1.492 0.05 1 350 36 GLN C C 177.935 0.10 1 351 36 GLN CA C 59.095 0.10 1 352 36 GLN CB C 27.668 0.10 1 353 36 GLN CG C 32.750 0.10 1 354 36 GLN HA H 4.138 0.05 1 355 36 GLN HB2 H 2.077 0.05 2 356 36 GLN HB3 H 2.232 0.05 2 357 36 GLN HE21 H 7.448 0.05 2 358 36 GLN HE22 H 6.563 0.05 2 359 36 GLN HG2 H 2.524 0.05 2 360 36 GLN HG3 H 2.489 0.05 2 361 36 GLN H H 9.028 0.05 1 362 36 GLN N N 122.343 0.10 1 363 36 GLN NE2 N 111.235 0.10 1 364 37 GLU C C 179.087 0.10 1 365 37 GLU CA C 60.074 0.10 1 366 37 GLU CB C 29.241 0.10 1 367 37 GLU CG C 37.130 0.10 1 368 37 GLU HA H 4.026 0.05 1 369 37 GLU HB2 H 2.066 0.05 2 370 37 GLU HB3 H 1.983 0.05 2 371 37 GLU HG2 H 2.436 0.05 2 372 37 GLU HG3 H 2.332 0.05 2 373 37 GLU H H 8.591 0.05 1 374 37 GLU N N 118.877 0.10 1 375 38 ASP C C 177.928 0.10 1 376 38 ASP CA C 57.066 0.10 1 377 38 ASP CB C 40.852 0.10 1 378 38 ASP HA H 4.257 0.05 1 379 38 ASP HB2 H 3.000 0.05 2 380 38 ASP HB3 H 2.304 0.05 2 381 38 ASP H H 7.770 0.05 1 382 38 ASP N N 121.627 0.10 1 383 39 ILE C C 177.537 0.10 1 384 39 ILE CA C 66.460 0.20 1 385 39 ILE CB C 37.997 0.10 1 386 39 ILE CD1 C 13.786 0.10 1 387 39 ILE CG1 C 30.230 0.10 1 388 39 ILE CG2 C 17.613 0.10 1 389 39 ILE HA H 3.576 0.05 1 390 39 ILE HB H 2.097 0.05 1 391 39 ILE HG12 H 0.804 0.05 2 392 39 ILE HG13 H 1.982 0.05 2 393 39 ILE H H 8.067 0.05 1 394 39 ILE N N 122.000 0.10 1 395 39 ILE HD1 H 0.909 0.05 1 396 39 ILE HG2 H 1.029 0.05 1 397 40 VAL C C 177.545 0.10 1 398 40 VAL CA C 67.046 0.10 1 399 40 VAL CB C 31.875 0.20 1 400 40 VAL CG1 C 23.446 0.10 1 401 40 VAL CG2 C 21.450 0.10 1 402 40 VAL HA H 3.667 0.05 1 403 40 VAL HB H 2.140 0.05 1 404 40 VAL H H 8.212 0.05 1 405 40 VAL N N 121.201 0.10 1 406 40 VAL HG1 H 1.151 0.05 2 407 40 VAL HG2 H 1.024 0.05 2 408 41 LYS C C 179.606 0.10 1 409 41 LYS CA C 59.490 0.20 1 410 41 LYS CB C 32.181 0.10 1 411 41 LYS CD C 28.223 0.10 1 412 41 LYS CE C 42.168 0.10 1 413 41 LYS CG C 25.054 0.10 1 414 41 LYS HA H 4.147 0.05 1 415 41 LYS HB2 H 1.909 0.05 2 416 41 LYS HD2 H 1.721 0.05 2 417 41 LYS HE2 H 2.992 0.05 2 418 41 LYS HG2 H 1.456 0.05 2 419 41 LYS HG3 H 1.598 0.05 2 420 41 LYS H H 7.651 0.05 1 421 41 LYS N N 120.489 0.10 1 422 42 PHE C C 177.406 0.10 1 423 42 PHE CA C 58.770 0.10 1 424 42 PHE CB C 39.048 0.10 1 425 42 PHE HA H 4.684 0.05 1 426 42 PHE HB2 H 3.419 0.05 2 427 42 PHE H H 8.219 0.05 1 428 42 PHE N N 120.716 0.20 1 429 43 PHE C C 176.836 0.10 1 430 43 PHE CA C 62.221 0.10 1 431 43 PHE CB C 39.707 0.10 1 432 43 PHE HA H 3.144 0.05 1 433 43 PHE HB2 H 3.364 0.05 2 434 43 PHE HB3 H 2.974 0.05 2 435 43 PHE H H 8.756 0.05 1 436 43 PHE N N 121.387 0.10 1 437 43 PHE HD1 H 6.841 0.05 4 438 43 PHE HE1 H 6.972 0.05 4 439 44 GLU C C 178.965 0.10 1 440 44 GLU CA C 59.134 0.10 1 441 44 GLU CB C 29.666 0.10 1 442 44 GLU CG C 37.045 0.10 1 443 44 GLU HA H 4.040 0.05 1 444 44 GLU HB2 H 2.286 0.05 2 445 44 GLU HB3 H 2.131 0.05 2 446 44 GLU HG2 H 2.854 0.05 2 447 44 GLU HG3 H 2.460 0.05 2 448 44 GLU H H 8.533 0.05 1 449 44 GLU N N 116.746 0.10 1 450 45 GLU C C 178.466 0.10 1 451 45 GLU CA C 58.696 0.10 1 452 45 GLU CB C 29.699 0.10 1 453 45 GLU CG C 36.313 0.10 1 454 45 GLU HA H 4.028 0.05 1 455 45 GLU HB2 H 2.327 0.05 2 456 45 GLU HB3 H 2.154 0.05 2 457 45 GLU HG2 H 2.475 0.05 2 458 45 GLU HG3 H 2.286 0.05 2 459 45 GLU H H 7.746 0.05 1 460 45 GLU N N 119.517 0.10 1 461 46 ILE C C 176.862 0.10 1 462 46 ILE CA C 62.585 0.10 1 463 46 ILE CB C 37.916 0.10 1 464 46 ILE CD1 C 15.019 0.10 1 465 46 ILE CG1 C 27.713 0.20 1 466 46 ILE CG2 C 19.773 0.10 1 467 46 ILE HA H 3.903 0.05 1 468 46 ILE HB H 1.538 0.05 1 469 46 ILE HG12 H 1.029 0.05 2 470 46 ILE HG13 H 1.539 0.05 2 471 46 ILE H H 7.607 0.05 1 472 46 ILE N N 118.394 0.20 1 473 46 ILE HD1 H 0.476 0.05 1 474 46 ILE HG2 H 0.836 0.05 1 475 47 ASP C C 177.553 0.10 1 476 47 ASP CA C 52.685 0.10 1 477 47 ASP CB C 38.618 0.10 1 478 47 ASP HA H 4.391 0.05 1 479 47 ASP HB2 H 2.649 0.05 2 480 47 ASP HB3 H 1.741 0.05 2 481 47 ASP H H 7.659 0.05 1 482 47 ASP N N 121.794 0.10 1 483 48 VAL C C 178.015 0.10 1 484 48 VAL CA C 65.800 0.10 1 485 48 VAL CB C 32.182 0.10 1 486 48 VAL CG1 C 21.525 0.10 1 487 48 VAL CG2 C 21.772 0.10 1 488 48 VAL HA H 3.806 0.05 1 489 48 VAL HB H 2.172 0.05 1 490 48 VAL H H 8.039 0.05 1 491 48 VAL N N 126.600 0.20 1 492 48 VAL HG1 H 1.145 0.05 2 493 48 VAL HG2 H 1.044 0.05 2 494 49 ASP C C 177.926 0.05 1 495 49 ASP CA C 53.245 0.05 1 496 49 ASP CB C 39.622 0.05 1 497 49 ASP HA H 4.656 0.05 1 498 49 ASP HB2 H 3.123 0.05 2 499 49 ASP HB3 H 2.685 0.05 2 500 49 ASP H H 8.005 0.05 1 501 49 ASP N N 117.223 0.10 1 502 50 GLY C C 175.086 0.10 1 503 50 GLY CA C 47.259 0.10 1 504 50 GLY HA2 H 3.899 0.05 2 505 50 GLY H H 7.858 0.05 1 506 50 GLY N N 110.188 0.10 1 507 51 ASN C C 176.980 0.10 1 508 51 ASN CA C 52.503 0.10 1 509 51 ASN CB C 38.124 0.10 1 510 51 ASN HA H 4.716 0.05 1 511 51 ASN HB2 H 3.368 0.05 2 512 51 ASN HB3 H 2.628 0.05 2 513 51 ASN HD21 H 6.894 0.05 2 514 51 ASN HD22 H 7.904 0.05 2 515 51 ASN H H 8.128 0.05 1 516 51 ASN N N 119.915 0.10 1 517 51 ASN ND2 N 116.020 0.10 1 518 52 GLY C C 172.855 0.10 1 519 52 GLY CA C 46.056 0.10 1 520 52 GLY HA2 H 3.741 0.05 2 521 52 GLY HA3 H 4.282 0.05 2 522 52 GLY H H 10.961 0.05 1 523 52 GLY N N 115.144 0.10 1 524 53 GLU C C 174.357 0.10 1 525 53 GLU CA C 53.836 0.10 1 526 53 GLU CB C 33.310 0.10 1 527 53 GLU CG C 34.998 0.10 1 528 53 GLU HA H 5.064 0.05 1 529 53 GLU HB2 H 1.975 0.05 2 530 53 GLU HB3 H 1.773 0.05 2 531 53 GLU HG2 H 2.179 0.05 2 532 53 GLU HG3 H 2.022 0.05 2 533 53 GLU H H 7.686 0.05 1 534 53 GLU N N 116.758 0.10 1 535 54 LEU C C 177.451 0.10 1 536 54 LEU CA C 52.732 0.10 1 537 54 LEU CB C 42.116 0.10 1 538 54 LEU CD1 C 21.436 0.10 1 539 54 LEU CD2 C 26.517 0.10 1 540 54 LEU CG C 26.270 0.10 1 541 54 LEU HA H 5.622 0.05 1 542 54 LEU HB2 H 2.158 0.05 2 543 54 LEU HB3 H 1.425 0.05 2 544 54 LEU HG H 1.547 0.05 1 545 54 LEU H H 9.642 0.05 1 546 54 LEU N N 125.227 0.10 1 547 54 LEU HD1 H -0.036 0.05 2 548 54 LEU HD2 H 0.574 0.05 2 549 55 ASN C C 175.125 0.10 1 550 55 ASN CA C 51.000 0.10 1 551 55 ASN CB C 38.928 0.10 1 552 55 ASN HA H 5.226 0.05 1 553 55 ASN HB2 H 3.515 0.05 2 554 55 ASN HB3 H 2.962 0.05 2 555 55 ASN HD21 H 7.122 0.05 2 556 55 ASN HD22 H 7.440 0.05 2 557 55 ASN H H 8.632 0.05 1 558 55 ASN N N 123.279 0.10 1 559 55 ASN ND2 N 112.614 0.10 1 560 56 ALA C C 180.149 0.10 1 561 56 ALA CA C 56.021 0.10 1 562 56 ALA CB C 17.672 0.10 1 563 56 ALA HA H 3.240 0.05 1 564 56 ALA H H 8.657 0.05 1 565 56 ALA N N 122.129 0.10 1 566 56 ALA HB H 0.936 0.05 1 567 57 ASP C C 179.089 0.10 1 568 57 ASP CA C 57.622 0.10 1 569 57 ASP CB C 40.387 0.10 1 570 57 ASP HA H 4.383 0.05 1 571 57 ASP HB2 H 2.740 0.05 2 572 57 ASP H H 8.113 0.05 1 573 57 ASP N N 121.289 0.10 1 574 58 GLU C C 179.679 0.10 1 575 58 GLU CA C 58.930 0.10 1 576 58 GLU CB C 29.886 0.10 1 577 58 GLU CG C 37.069 0.10 1 578 58 GLU HA H 4.115 0.05 1 579 58 GLU HB2 H 2.351 0.05 2 580 58 GLU HB3 H 2.425 0.05 2 581 58 GLU HG2 H 2.865 0.05 2 582 58 GLU HG3 H 2.361 0.05 2 583 58 GLU H H 8.711 0.05 1 584 58 GLU N N 122.726 0.10 1 585 59 PHE C C 176.869 0.10 1 586 59 PHE CA C 61.948 0.10 1 587 59 PHE CB C 40.987 0.10 1 588 59 PHE HA H 4.196 0.05 1 589 59 PHE HB2 H 3.249 0.05 2 590 59 PHE HB3 H 3.258 0.05 2 591 59 PHE H H 8.496 0.05 1 592 59 PHE N N 118.797 0.10 1 593 59 PHE HE1 H 7.178 0.05 4 594 60 THR C C 176.173 0.10 1 595 60 THR CA C 66.898 0.10 1 596 60 THR CB C 68.630 0.10 1 597 60 THR CG2 C 21.740 0.10 1 598 60 THR HA H 3.749 0.05 1 599 60 THR HB H 4.388 0.05 1 600 60 THR H H 8.826 0.05 1 601 60 THR N N 115.281 0.10 1 602 60 THR HG2 H 1.351 0.05 1 603 61 SER C C 175.790 0.10 1 604 61 SER CA C 61.384 0.10 1 605 61 SER CB C 63.083 0.10 1 606 61 SER HA H 4.301 0.05 1 607 61 SER HB2 H 4.019 0.05 2 608 61 SER H H 7.839 0.05 1 609 61 SER N N 116.463 0.10 1 610 62 CYS C C 176.042 0.10 1 611 62 CYS CA C 61.035 0.10 1 612 62 CYS CB C 27.810 0.10 1 613 62 CYS HA H 4.379 0.05 1 614 62 CYS HB2 H 2.880 0.05 2 615 62 CYS HB3 H 2.839 0.05 2 616 62 CYS H H 7.294 0.05 1 617 62 CYS N N 119.214 0.10 1 618 63 ILE C C 177.807 0.10 1 619 63 ILE CA C 62.391 0.10 1 620 63 ILE CB C 37.244 0.10 1 621 63 ILE CD1 C 12.297 0.10 1 622 63 ILE CG1 C 28.220 0.10 1 623 63 ILE CG2 C 18.376 0.10 1 624 63 ILE HA H 3.837 0.05 1 625 63 ILE HB H 1.643 0.05 1 626 63 ILE HG12 H 1.068 0.05 2 627 63 ILE H H 7.671 0.05 1 628 63 ILE N N 119.675 0.10 1 629 63 ILE HD1 H 0.657 0.05 1 630 63 ILE HG2 H 0.832 0.05 1 631 64 GLU C C 178.134 0.10 1 632 64 GLU CA C 59.133 0.10 1 633 64 GLU CB C 29.380 0.20 1 634 64 GLU CG C 36.765 0.10 1 635 64 GLU HA H 4.096 0.05 1 636 64 GLU HB2 H 2.147 0.05 2 637 64 GLU HG2 H 2.390 0.05 2 638 64 GLU H H 8.206 0.05 1 639 64 GLU N N 120.206 0.10 1 640 65 LYS C C 177.219 0.10 1 641 65 LYS CA C 57.467 0.10 1 642 65 LYS CB C 32.864 0.20 1 643 65 LYS CD C 29.359 0.10 1 644 65 LYS CE C 42.231 0.10 1 645 65 LYS CG C 25.314 0.10 1 646 65 LYS HA H 4.360 0.05 1 647 65 LYS HB2 H 1.992 0.05 2 648 65 LYS HD2 H 1.739 0.05 2 649 65 LYS HE2 H 3.067 0.05 2 650 65 LYS HG2 H 1.570 0.05 2 651 65 LYS H H 7.577 0.05 1 652 65 LYS N N 117.359 0.10 1 653 66 MET C C 175.099 0.10 1 654 66 MET CA C 56.222 0.10 1 655 66 MET CB C 34.043 0.10 1 656 66 MET CG C 32.352 0.20 1 657 66 MET HA H 4.444 0.05 1 658 66 MET HB2 H 2.098 0.05 2 659 66 MET HB3 H 2.022 0.05 2 660 66 MET HG2 H 2.505 0.05 2 661 66 MET HG3 H 2.413 0.05 2 662 66 MET H H 7.869 0.05 1 663 66 MET N N 119.284 0.10 1 664 67 LEU CA C 56.427 0.10 1 665 67 LEU CB C 43.465 0.10 1 666 67 LEU HA H 4.293 0.05 1 667 67 LEU HB2 H 1.722 0.05 2 668 67 LEU HB3 H 1.674 0.05 2 669 67 LEU HG H 0.880 0.05 1 670 67 LEU H H 7.276 0.05 1 671 67 LEU N N 126.258 0.20 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 56,57 231,232 329,330 339,340 437,438 593 stop_ save_ save_residual_dipolar_couplings _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_1 stop_ _Sample_conditions $Conditions_1 _Spectrometer_frequence_1H 600 _Mol_system_component_name "Calmodulin like protein" loop_ _Residual_dipolar_coupling_ID _Residual_dipolar_coupling_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Residual_dipolar_coupling_error 1 DNHN 3 ALA H 3 ALA N 4.47 1.0 2 DNHN 4 LYS H 4 LYS N 14.86 1.0 3 DNHN 5 ARG H 5 ARG N 10.19 1.0 4 DNHN 6 VAL H 6 VAL N 9.47 1.0 5 DNHN 7 PHE H 7 PHE N 11.36 1.0 6 DNHN 8 GLU H 8 GLU N 12.76 1.0 7 DNHN 9 LYS H 9 LYS N 12.14 1.0 8 DNHN 10 PHE H 10 PHE N 7.29 1.0 9 DNHN 11 ASP H 11 ASP N 17.93 1.0 10 DNHN 12 LYS H 12 LYS N 9.37 1.0 11 DNHN 13 ASN H 13 ASN N 15.48 1.0 12 DNHN 14 LYS H 14 LYS N -26 1.0 13 DNHN 15 ASP H 15 ASP N -18.3 1.0 14 DNHN 16 GLY H 16 GLY N -23.66 1.0 15 DNHN 17 LYS H 17 LYS N 4.26 1.0 16 DNHN 18 LEU H 18 LEU N 3.46 1.0 17 DNHN 20 LEU H 20 LEU N -6.82 1.0 18 DNHN 21 ASP H 21 ASP N -18.59 1.0 19 DNHN 22 GLU H 22 GLU N -21.11 1.0 20 DNHN 23 PHE H 23 PHE N -8.15 1.0 21 DNHN 24 ARG H 24 ARG N -4.63 1.0 22 DNHN 25 GLU H 25 GLU N -29.38 1.0 23 DNHN 26 VAL H 26 VAL N -12.97 1.0 24 DNHN 28 LEU H 28 LEU N -12.66 1.0 25 DNHN 29 ALA H 29 ALA N -33.44 1.0 26 DNHN 31 SER H 31 SER N -10.95 1.0 27 DNHN 33 TYR H 33 TYR N 17.51 1.0 28 DNHN 35 THR H 35 THR N 10.27 1.0 29 DNHN 36 GLN H 36 GLN N -10.6 1.0 30 DNHN 37 GLU H 37 GLU N -25.98 1.0 31 DNHN 39 ILE H 39 ILE N -8.64 1.0 32 DNHN 40 VAL H 40 VAL N -14.82 1.0 33 DNHN 41 LYS H 41 LYS N -27.9 1.0 34 DNHN 42 PHE H 42 PHE N -23.8 1.0 35 DNHN 43 PHE H 43 PHE N -14 1.0 36 DNHN 44 GLU H 44 GLU N -21.12 1.0 37 DNHN 46 ILE H 46 ILE N -10.43 1.0 38 DNHN 47 ASP H 47 ASP N -9.36 1.0 39 DNHN 48 VAL H 48 VAL N 20.44 1.0 40 DNHN 50 GLY H 50 GLY N -7.02 1.0 41 DNHN 51 ASN H 51 ASN N 17.7 1.0 42 DNHN 52 GLY H 52 GLY N 5.32 1.0 43 DNHN 53 GLU H 53 GLU N -10.95 1.0 44 DNHN 54 LEU H 54 LEU N -5.93 1.0 45 DNHN 55 ASN H 55 ASN N 11.96 1.0 46 DNHN 56 ALA H 56 ALA N -13.89 1.0 47 DNHN 57 ASP H 57 ASP N -14.82 1.0 48 DNHN 58 GLU H 58 GLU N -4.66 1.0 49 DNHN 59 PHE H 59 PHE N -13.98 1.0 50 DNHN 60 THR H 60 THR N -25.14 1.0 51 DNHN 62 CYS H 62 CYS N -1.05 1.0 52 DNHN 64 GLU H 64 GLU N -22.7 1.0 53 DNHN 65 LYS H 65 LYS N 0.8 1.0 54 DNHN 66 MET H 66 MET N -11.47 1.0 55 DNHN 67 LEU H 67 LEU N -21.21 1.0 stop_ save_