######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 52174 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name 'Apo 600' _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format text _Heteronucl_T2_list.Text_data ; DATA CARRIER_FREQ (MHz) 60.792797 DATA NUCPMG (Hz) @CARRIER_FREQ 1 33.33 33.33 66.67 66.67 100.00 100.00 133.33 133.33 166.67 200.00 200.00 233.33 233.33 266.67 300.00 333.33 400.00 466.67 500.00 600.00 633.33 800.00 833.33 966.67 DATA ASSIGNMENTS 1 144 2 146 3 147 4 155 5 156 6 174 7 176 8 183 9 185 10 187 11 189 12 213 13 215 14 216 15 219 16 221 17 236 DATA R2 (s-1) @CARRIER_FREQ 1 1 13.71 14.48 14.67 13.75 13.59 14.34 13.42 13.74 14.28 13.80 13.88 14.11 13.60 14.04 13.37 13.49 13.59 13.47 13.73 14.09 13.48 13.90 13.69 13.23 2 13.89 13.38 13.08 12.88 13.81 13.54 13.08 13.54 12.72 13.34 12.64 13.71 13.30 13.19 12.74 12.81 13.85 13.12 12.81 13.14 13.37 13.17 13.28 12.99 3 14.63 13.14 13.38 13.83 14.22 14.01 13.56 13.57 13.73 12.77 12.97 13.84 13.62 13.75 13.30 12.80 13.41 13.61 13.78 12.96 14.46 12.68 12.77 13.70 4 15.57 15.53 14.93 14.70 14.53 15.19 15.44 15.42 14.91 15.12 14.31 14.82 14.48 15.00 15.41 14.83 14.43 14.92 15.04 14.84 14.63 14.44 14.46 14.29 5 14.11 14.34 14.97 13.99 15.03 13.73 15.10 14.60 14.51 14.51 13.89 14.48 14.96 14.76 13.78 14.68 14.52 13.83 14.15 13.86 14.39 14.23 14.68 13.61 6 16.82 15.66 15.50 16.29 16.04 15.22 15.51 15.44 14.54 15.60 14.63 14.29 15.19 13.94 14.32 14.21 14.18 14.17 14.13 13.80 13.85 13.88 13.97 14.00 7 16.96 17.08 17.56 16.62 16.53 14.99 16.36 15.88 15.02 15.51 15.58 15.27 15.09 15.78 15.38 15.68 15.26 14.50 15.03 15.32 14.95 14.15 15.01 14.90 8 25.93 25.05 24.04 26.20 22.59 24.60 23.28 22.52 22.25 22.36 22.84 20.67 23.04 22.80 21.37 22.57 20.59 22.52 21.43 22.31 21.00 20.38 20.38 23.95 9 15.15 15.31 14.22 14.78 14.83 14.60 15.12 14.37 13.65 13.44 13.98 14.39 13.87 13.54 14.00 13.67 13.69 13.55 13.87 13.77 13.68 13.46 13.57 13.93 10 15.03 15.35 13.91 14.22 13.66 14.39 13.89 14.03 13.30 13.94 14.01 13.80 13.81 14.37 13.95 13.75 13.35 12.99 13.72 12.73 12.32 12.77 12.72 13.32 11 19.28 19.12 19.05 19.04 18.33 18.22 18.28 18.58 18.23 17.67 18.23 18.80 17.51 18.55 17.45 17.90 16.84 17.10 17.44 16.62 16.16 16.25 15.01 15.38 12 15.36 15.40 13.77 14.75 14.85 15.27 15.57 14.93 14.62 14.17 14.77 14.59 14.80 15.15 15.10 14.56 13.85 14.12 13.05 13.58 14.13 13.14 13.42 13.88 13 16.61 17.06 15.92 16.53 15.98 16.43 16.71 16.10 16.71 16.05 16.43 15.73 16.34 16.24 15.18 16.07 15.77 15.05 15.20 14.54 14.51 13.80 14.69 13.75 14 11.18 10.98 11.14 11.04 11.11 10.89 11.36 11.28 11.81 11.17 11.57 10.75 11.61 11.79 11.40 11.42 11.65 11.31 11.25 11.25 11.64 11.70 11.20 11.43 15 21.03 22.45 21.43 21.47 21.75 23.07 22.11 22.95 21.34 20.99 20.66 22.78 21.86 21.84 20.37 21.45 21.06 20.15 20.77 20.13 19.29 18.69 19.50 17.53 16 15.70 15.23 15.16 14.28 13.97 14.29 14.65 14.08 14.77 14.25 14.15 14.17 14.11 14.16 13.63 14.83 14.11 13.77 13.78 14.80 13.99 13.85 14.22 14.01 17 15.81 16.38 15.76 15.46 15.54 14.90 15.66 14.82 14.63 15.68 14.07 15.43 15.30 14.59 14.92 14.93 14.90 14.36 13.98 14.61 14.35 13.96 14.74 14.52 DATA R2ERRORS (s-1) @CARRIER_FREQ 1 1 0.46 0.48 0.48 0.46 0.45 0.47 0.45 0.46 0.47 0.46 0.46 0.47 0.45 0.47 0.45 0.45 0.45 0.45 0.46 0.47 0.45 0.46 0.46 0.45 2 0.36 0.35 0.35 0.34 0.36 0.35 0.35 0.35 0.34 0.35 0.34 0.36 0.35 0.35 0.34 0.34 0.36 0.35 0.34 0.35 0.35 0.35 0.35 0.34 3 0.51 0.48 0.48 0.49 0.50 0.50 0.49 0.49 0.49 0.47 0.47 0.49 0.49 0.49 0.48 0.47 0.48 0.49 0.49 0.47 0.51 0.46 0.47 0.49 4 0.50 0.50 0.49 0.48 0.48 0.49 0.50 0.50 0.49 0.49 0.47 0.48 0.48 0.49 0.50 0.48 0.48 0.49 0.49 0.49 0.48 0.48 0.48 0.47 5 0.54 0.55 0.57 0.54 0.57 0.53 0.57 0.56 0.56 0.56 0.54 0.56 0.57 0.56 0.54 0.56 0.56 0.54 0.55 0.54 0.55 0.55 0.56 0.53 6 0.71 0.66 0.66 0.69 0.68 0.65 0.66 0.66 0.63 0.66 0.63 0.62 0.65 0.61 0.62 0.62 0.62 0.62 0.61 0.60 0.61 0.61 0.61 0.61 7 0.82 0.82 0.84 0.80 0.80 0.74 0.79 0.77 0.74 0.76 0.76 0.75 0.74 0.77 0.75 0.76 0.75 0.72 0.74 0.75 0.74 0.71 0.74 0.73 8 1.40 1.33 1.26 1.42 1.16 1.30 1.20 1.15 1.13 1.14 1.17 1.04 1.19 1.17 1.08 1.16 1.03 1.15 1.08 1.14 1.06 1.02 1.02 1.25 9 0.38 0.38 0.36 0.37 0.37 0.37 0.38 0.36 0.35 0.35 0.36 0.36 0.35 0.35 0.36 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.36 10 0.32 0.33 0.31 0.31 0.30 0.31 0.31 0.31 0.30 0.31 0.31 0.30 0.30 0.31 0.31 0.30 0.30 0.29 0.30 0.29 0.28 0.29 0.29 0.30 11 0.43 0.42 0.42 0.42 0.41 0.40 0.40 0.41 0.40 0.39 0.40 0.42 0.39 0.41 0.39 0.40 0.37 0.38 0.39 0.37 0.36 0.36 0.34 0.35 12 0.48 0.48 0.45 0.47 0.47 0.48 0.49 0.47 0.47 0.45 0.47 0.46 0.47 0.48 0.48 0.46 0.45 0.45 0.43 0.44 0.45 0.43 0.44 0.45 13 0.38 0.39 0.37 0.38 0.37 0.38 0.39 0.37 0.39 0.37 0.38 0.37 0.38 0.38 0.36 0.37 0.37 0.35 0.36 0.35 0.35 0.33 0.35 0.33 14 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.31 0.30 0.31 0.29 0.31 0.31 0.30 0.30 0.31 0.30 0.30 0.30 0.31 0.31 0.30 0.30 15 0.70 0.76 0.71 0.72 0.73 0.78 0.74 0.78 0.71 0.70 0.68 0.77 0.73 0.73 0.67 0.71 0.70 0.66 0.69 0.66 0.63 0.61 0.64 0.58 16 0.46 0.45 0.45 0.43 0.42 0.43 0.44 0.42 0.44 0.43 0.43 0.43 0.42 0.43 0.41 0.44 0.42 0.42 0.42 0.44 0.42 0.42 0.43 0.42 17 0.50 0.52 0.50 0.49 0.49 0.48 0.50 0.48 0.47 0.50 0.46 0.49 0.49 0.47 0.48 0.48 0.48 0.46 0.46 0.47 0.46 0.46 0.47 0.47 ; 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 1 '1H-15N CPMG' . . . 52174 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 1 $software_1 . . 52174 1 2 $software_2 . . 52174 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_2 _Heteronucl_T2_list.Entry_ID 52174 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Name 'Apo 800' _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 800 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format text _Heteronucl_T2_list.Text_data ; DATA CARRIER_FREQ (MHz) 81.086222 DATA NUCPMG (Hz) @CARRIER_FREQ 1 50.00 50.00 100.00 100.00 150.00 150.00 200.00 200.00 250.00 250.00 250.00 300.00 400.00 500.00 750.00 1000.00 DATA ASSIGNMENTS 1 144 2 146 3 147 4 155 5 156 6 174 7 176 8 183 9 185 10 187 11 189 12 213 13 215 14 216 15 219 16 221 17 236 DATA R2 (s-1) @CARRIER_FREQ 1 1 17.14 16.04 16.41 16.94 14.35 15.94 16.91 15.15 15.13 15.08 16.24 14.68 14.71 14.78 14.62 15.38 2 14.47 16.09 16.20 14.06 13.85 14.16 14.35 14.58 15.32 14.55 14.40 14.95 15.08 13.02 14.23 14.81 3 14.40 14.58 15.11 14.26 15.07 14.45 13.62 14.75 12.97 13.77 14.85 12.79 12.29 13.20 14.60 12.16 4 16.47 16.08 16.49 17.66 16.74 17.42 16.60 15.29 15.12 17.17 15.11 16.17 15.33 15.36 14.34 16.30 5 14.65 17.44 15.30 15.14 13.55 16.74 14.39 14.79 15.81 16.43 16.30 14.97 15.31 15.20 16.44 15.03 6 17.20 18.54 18.32 14.31 15.65 15.06 14.95 16.27 15.44 14.20 14.46 14.71 15.86 15.28 14.99 13.99 7 17.40 21.58 19.06 20.51 16.87 16.35 15.72 16.27 15.95 16.72 16.41 14.87 16.99 15.98 16.92 13.80 8 28.17 30.06 28.47 27.14 28.43 24.15 25.12 23.14 25.08 23.32 23.03 22.73 25.16 22.25 24.77 25.37 9 18.71 17.43 16.87 16.80 16.23 17.07 15.46 15.46 16.53 15.50 15.99 15.31 16.06 13.81 15.23 13.94 10 15.87 16.16 16.34 16.52 15.67 15.64 15.48 15.88 16.80 15.70 15.83 14.68 13.63 14.13 13.66 14.71 11 23.23 24.71 21.81 23.05 20.66 21.77 21.37 20.57 21.37 21.60 21.81 22.00 20.80 20.19 16.44 16.37 12 17.07 17.51 17.02 16.93 16.18 15.51 15.15 15.87 15.85 17.14 15.23 16.08 15.82 14.92 14.24 13.44 13 20.33 18.12 19.24 18.18 19.33 19.22 19.69 19.53 18.33 17.54 18.44 17.37 16.65 17.42 15.55 15.60 14 12.51 12.30 11.67 11.79 12.29 12.12 12.14 11.93 11.70 11.79 11.92 11.86 11.71 11.72 11.24 11.42 15 21.46 22.11 23.00 23.27 23.08 22.07 25.82 22.91 23.67 21.24 22.52 24.78 23.91 21.90 23.21 19.98 16 16.73 16.47 16.57 14.73 14.27 16.13 14.59 15.34 15.82 14.66 15.32 16.23 13.92 14.37 14.15 14.74 17 19.11 18.39 17.70 18.62 16.04 17.38 15.79 16.43 17.91 15.20 16.30 16.56 18.04 14.26 15.57 15.75 DATA R2ERRORS (s-1) @CARRIER_FREQ 1 1 0.99 0.96 0.97 0.99 0.91 0.95 0.98 0.93 0.93 0.93 0.96 0.92 0.92 0.92 0.92 0.94 2 0.91 0.95 0.96 0.90 0.89 0.90 0.90 0.91 0.93 0.91 0.91 0.92 0.92 0.87 0.90 0.92 3 0.95 0.95 0.97 0.95 0.97 0.95 0.93 0.96 0.91 0.93 0.96 0.91 0.89 0.92 0.96 0.89 4 1.18 1.17 1.18 1.23 1.19 1.22 1.19 1.14 1.13 1.21 1.13 1.17 1.14 1.14 1.11 1.17 5 1.07 1.16 1.09 1.08 1.03 1.14 1.06 1.07 1.11 1.13 1.12 1.08 1.09 1.08 1.13 1.08 6 1.55 1.62 1.61 1.42 1.48 1.45 1.45 1.51 1.47 1.41 1.43 1.44 1.49 1.46 1.45 1.41 7 1.16 1.34 1.23 1.29 1.15 1.13 1.10 1.12 1.11 1.14 1.13 1.08 1.15 1.11 1.15 1.04 8 1.68 1.80 1.70 1.62 1.69 1.45 1.50 1.40 1.50 1.41 1.40 1.38 1.51 1.36 1.49 1.52 9 0.70 0.67 0.66 0.66 0.65 0.66 0.63 0.63 0.65 0.63 0.64 0.63 0.64 0.60 0.63 0.60 10 0.41 0.41 0.41 0.42 0.41 0.40 0.40 0.41 0.42 0.41 0.41 0.39 0.38 0.39 0.38 0.39 11 0.79 0.84 0.76 0.79 0.73 0.75 0.74 0.72 0.74 0.75 0.76 0.76 0.73 0.72 0.63 0.63 12 0.91 0.92 0.91 0.90 0.88 0.86 0.85 0.87 0.87 0.91 0.86 0.88 0.87 0.85 0.83 0.81 13 1.01 0.94 0.98 0.95 0.98 0.98 0.99 0.99 0.95 0.93 0.95 0.92 0.90 0.92 0.87 0.87 14 0.14 0.13 0.13 0.13 0.13 0.13 0.13 0.13 0.13 0.13 0.13 0.13 0.13 0.13 0.13 0.13 15 1.18 1.21 1.25 1.26 1.25 1.21 1.38 1.24 1.28 1.17 1.23 1.33 1.29 1.20 1.26 1.13 16 1.07 1.06 1.07 1.01 0.99 1.05 1.00 1.03 1.04 1.01 1.03 1.06 0.98 1.00 0.99 1.01 17 1.49 1.46 1.43 1.47 1.35 1.41 1.34 1.37 1.44 1.32 1.36 1.37 1.44 1.28 1.33 1.34 ; 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 2 '1H-15N CPMG' . . . 52174 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 1 $software_1 . . 52174 2 2 $software_2 . . 52174 2 stop_ save_