######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 50001 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name . _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method '100% H2-Methanol' _Heteronucl_T2_list.Temp_control_method 'Bruker temperature control' _Heteronucl_T2_list.Spectrometer_frequency_1H 600.12282197 _Heteronucl_T2_list.T2_coherence_type (S+)+(S-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 22 '3D 1H-15N t2 interleaved' . . . 50001 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 2 $software_2 . . 50001 1 4 $software_4 . . 50001 1 5 $software_5 . . 50001 1 6 $software_6 . . 50001 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 4 4 ARG N N 15 0.310164 0.00154885 . . . . 142 ARG N 50001 1 2 . 1 1 5 5 GLU N N 15 0.225657 0.00109481 . . . . 143 GLU N 50001 1 3 . 1 1 6 6 TRP N N 15 0.171662 0.000727856 . . . . 144 TRP N 50001 1 4 . 1 1 7 7 VAL N N 15 0.0405536 0.00109908 . . . . 145 VAL N 50001 1 5 . 1 1 8 8 GLU N N 15 0.250828 0.000578814 . . . . 146 GLU N 50001 1 6 . 1 1 9 9 ALA N N 15 0.120953 0.000580793 . . . . 147 ALA N 50001 1 7 . 1 1 10 10 VAL N N 15 0.195145 0.000959654 . . . . 148 VAL N 50001 1 8 . 1 1 11 11 ALA N N 15 0.0194535 0.0024827 . . . . 149 ALA N 50001 1 9 . 1 1 12 12 TYR N N 15 0.115855 0.00408173 . . . . 150 TYR N 50001 1 10 . 1 1 13 13 VAL N N 15 0.158428 0.00239952 . . . . 151 VAL N 50001 1 11 . 1 1 14 14 GLY N N 15 0.0733622 0.00926459 . . . . 152 GLY N 50001 1 12 . 1 1 16 16 ASP N N 15 0.176863 0.00205825 . . . . 154 ASP N 50001 1 13 . 1 1 17 17 ARG N N 15 0.195741 0.00176629 . . . . 155 ARG N 50001 1 14 . 1 1 18 18 ARG N N 15 0.179337 0.00155984 . . . . 156 ARG N 50001 1 15 . 1 1 19 19 ARG N N 15 0.218972 0.000129461 . . . . 157 ARG N 50001 1 16 . 1 1 20 20 PHE N N 15 0.203401 0.00143561 . . . . 158 PHE N 50001 1 17 . 1 1 21 21 ASN N N 15 0.244481 0.00182899 . . . . 159 ASN N 50001 1 18 . 1 1 22 22 SER N N 15 0.243191 0.00238341 . . . . 160 SER N 50001 1 19 . 1 1 23 23 ALA N N 15 0.245652 0.00333104 . . . . 161 ALA N 50001 1 20 . 1 1 24 24 ASP N N 15 0.246021 0.00415815 . . . . 162 ASP N 50001 1 21 . 1 1 25 25 TYR N N 15 0.218245 0.00214816 . . . . 163 TYR N 50001 1 22 . 1 1 26 26 LYS N N 15 0.224215 0.00591204 . . . . 164 LYS N 50001 1 23 . 1 1 29 29 ARG N N 15 0.186352 0.00413598 . . . . 167 ARG N 50001 1 24 . 1 1 30 30 LYS N N 15 0.220497 0.00246013 . . . . 168 LYS N 50001 1 25 . 1 1 31 31 ARG N N 15 0.158316 0.00147375 . . . . 169 ARG N 50001 1 26 . 1 1 32 32 LYS N N 15 0.181769 0.000254407 . . . . 170 LYS N 50001 1 27 . 1 1 33 33 ALA N N 15 0.170753 0.000769737 . . . . 171 ALA N 50001 1 28 . 1 1 34 34 ASP N N 15 0.202996 0.00152468 . . . . 172 ASP N 50001 1 29 . 1 1 35 35 ALA N N 15 0.266134 0.00405842 . . . . 173 ALA N 50001 1 30 . 1 1 36 36 SER N N 15 0.507228 0.0103427 . . . . 174 SER N 50001 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_Rex_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_Rex_list_1 _Heteronucl_T2_list.Entry_ID 50001 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Name . _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method '100% H2-Methanol' _Heteronucl_T2_list.Temp_control_method 'Bruker temperature control' _Heteronucl_T2_list.Spectrometer_frequency_1H 600.12282197 _Heteronucl_T2_list.T2_coherence_type (S+)+(S-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'These are the exchange rates derived from fitting the relaxation data with ModelFree.' _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 19 '2D 1H-15N NOE without saturation' . . . 50001 2 20 '2D 1H-15N NOE with saturation' . . . 50001 2 21 '3D 1H-15N t1 interleaved' . . . 50001 2 22 '3D 1H-15N t2 interleaved' . . . 50001 2 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 2 $software_2 . . 50001 2 4 $software_4 . . 50001 2 5 $software_5 . . 50001 2 6 $software_6 . . 50001 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 4 4 ARG N N 15 . . 0.000 0.000 . . 142 ARG N 50001 2 2 . 1 1 5 5 GLU N N 15 . . 0.000 0.000 . . 143 GLU N 50001 2 3 . 1 1 6 6 TRP N N 15 . . 0.000 0.000 . . 144 TRP N 50001 2 4 . 1 1 7 7 VAL N N 15 . . 10.000 0.699 . . 145 VAL N 50001 2 5 . 1 1 8 8 GLU N N 15 . . 0.000 0.000 . . 146 GLU N 50001 2 6 . 1 1 9 9 ALA N N 15 . . 3.925 0.040 . . 147 ALA N 50001 2 7 . 1 1 10 10 VAL N N 15 . . 0.000 0.000 . . 148 VAL N 50001 2 8 . 1 1 11 11 ALA N N 15 . . 10.000 6.560 . . 149 ALA N 50001 2 9 . 1 1 12 12 TYR N N 15 . . 3.905 0.318 . . 150 TYR N 50001 2 10 . 1 1 13 13 VAL N N 15 . . 0.000 0.000 . . 151 VAL N 50001 2 11 . 1 1 14 14 GLY N N 15 . . 8.451 1.723 . . 152 GLY N 50001 2 12 . 1 1 16 16 ASP N N 15 . . 0.000 0.000 . . 154 ASP N 50001 2 13 . 1 1 17 17 ARG N N 15 . . 0.000 0.000 . . 155 ARG N 50001 2 14 . 1 1 18 18 ARG N N 15 . . 0.000 0.000 . . 156 ARG N 50001 2 15 . 1 1 19 19 ARG N N 15 . . 0.000 0.000 . . 157 ARG N 50001 2 16 . 1 1 20 20 PHE N N 15 . . 0.000 0.000 . . 158 PHE N 50001 2 17 . 1 1 21 21 ASN N N 15 . . 0.000 0.000 . . 159 ASN N 50001 2 18 . 1 1 22 22 SER N N 15 . . 0.000 0.000 . . 160 SER N 50001 2 19 . 1 1 23 23 ALA N N 15 . . 0.000 0.000 . . 161 ALA N 50001 2 20 . 1 1 24 24 ASP N N 15 . . 0.000 0.000 . . 162 ASP N 50001 2 21 . 1 1 25 25 TYR N N 15 . . 0.000 0.000 . . 163 TYR N 50001 2 22 . 1 1 36 36 SER N N 15 . . 0.000 0.000 . . 174 SER N 50001 2 23 . 1 1 29 29 ARG N N 15 . . 0.000 0.000 . . 167 ARG N 50001 2 24 . 1 1 30 30 LYS N N 15 . . 0.000 0.000 . . 168 LYS N 50001 2 25 . 1 1 31 31 ARG N N 15 . . 0.000 0.000 . . 169 ARG N 50001 2 26 . 1 1 32 32 LYS N N 15 . . 0.000 0.000 . . 170 LYS N 50001 2 27 . 1 1 33 33 ALA N N 15 . . 0.000 0.000 . . 171 ALA N 50001 2 28 . 1 1 34 34 ASP N N 15 . . 0.000 0.000 . . 172 ASP N 50001 2 29 . 1 1 35 35 ALA N N 15 . . 0.000 0.000 . . 173 ALA N 50001 2 30 . 1 1 36 36 SER N N 15 . . 0.000 0.000 . . 174 SER N 50001 2 stop_ save_