######################################## # 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 50421 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name 'Backbone R2 - pH 2.0' _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 'single scan interleaving' _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 'The relaxation data are R2 values.' _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 7 'T2/R2 relaxation' . . . 50421 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 3 $software_3 . . 50421 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 2 2 ASP N N 15 1.785 0.021 . . . . . . . 50421 1 2 . 1 1 3 3 ALA N N 15 1.450 0.090 . . . . . . . 50421 1 3 . 1 1 4 4 GLN N N 15 2.560 0.030 . . . . . . . 50421 1 4 . 1 1 5 5 LYS N N 15 2.050 0.030 . . . . . . . 50421 1 5 . 1 1 6 6 ALA N N 15 2.080 0.090 . . . . . . . 50421 1 6 . 1 1 7 7 ALA N N 15 2.190 0.040 . . . . . . . 50421 1 7 . 1 1 8 8 ASP N N 15 2.580 0.030 . . . . . . . 50421 1 8 . 1 1 9 9 ASN N N 15 2.770 0.100 . . . . . . . 50421 1 9 . 1 1 10 10 LYS N N 15 4.200 0.080 . . . . . . . 50421 1 10 . 1 1 11 11 LYS N N 15 3.020 0.050 . . . . . . . 50421 1 11 . 1 1 12 12 PRO N N 15 0.000 0.000 . . . . . . . 50421 1 12 . 1 1 13 13 VAL N N 15 5.620 0.090 . . . . . . . 50421 1 13 . 1 1 14 14 ASN N N 15 8.140 0.130 . . . . . . . 50421 1 14 . 1 1 15 15 SER N N 15 6.490 0.060 . . . . . . . 50421 1 15 . 1 1 16 16 TRP N N 15 6.620 0.080 . . . . . . . 50421 1 16 . 1 1 16 16 TRP NE1 N 15 7.270 0.160 . . . . . . . 50421 1 17 . 1 1 16 16 TRP NE1 N 15 6.830 0.130 . . . . . . . 50421 1 18 . 1 1 17 17 THR N N 15 9.200 0.300 . . . . . . . 50421 1 19 . 1 1 18 18 CYS N N 15 12.600 0.600 . . . . . . . 50421 1 20 . 1 1 19 19 GLU N N 15 12.340 0.190 . . . . . . . 50421 1 21 . 1 1 20 20 ASP N N 15 10.360 0.200 . . . . . . . 50421 1 22 . 1 1 21 21 PHE N N 15 10.840 0.250 . . . . . . . 50421 1 23 . 1 1 22 22 LEU N N 15 13.580 0.250 . . . . . . . 50421 1 24 . 1 1 23 23 ALA N N 15 13.200 0.400 . . . . . . . 50421 1 25 . 1 1 24 24 VAL N N 15 8.670 0.180 . . . . . . . 50421 1 26 . 1 1 25 25 ASP N N 15 8.260 0.100 . . . . . . . 50421 1 27 . 1 1 26 26 GLU N N 15 9.580 0.060 . . . . . . . 50421 1 28 . 1 1 27 27 SER N N 15 7.240 0.090 . . . . . . . 50421 1 29 . 1 1 28 28 PHE N N 15 6.100 0.060 . . . . . . . 50421 1 30 . 1 1 29 29 GLN N N 15 7.000 0.100 . . . . . . . 50421 1 31 . 1 1 30 30 PRO N N 15 0.000 0.000 . . . . . . . 50421 1 32 . 1 1 31 31 THR N N 15 5.430 0.140 . . . . . . . 50421 1 33 . 1 1 32 32 ALA N N 15 5.270 0.090 . . . . . . . 50421 1 34 . 1 1 33 33 VAL N N 15 5.200 0.080 . . . . . . . 50421 1 35 . 1 1 34 34 GLY N N 15 8.480 0.090 . . . . . . . 50421 1 36 . 1 1 35 35 PHE N N 15 5.490 0.080 . . . . . . . 50421 1 37 . 1 1 36 36 ALA N N 15 6.990 0.090 . . . . . . . 50421 1 38 . 1 1 37 37 GLU N N 15 5.310 0.050 . . . . . . . 50421 1 39 . 1 1 38 38 ALA N N 15 4.470 0.040 . . . . . . . 50421 1 40 . 1 1 39 39 LEU N N 15 5.640 0.040 . . . . . . . 50421 1 41 . 1 1 40 40 ASN N N 15 4.350 0.040 . . . . . . . 50421 1 42 . 1 1 41 41 ASN N N 15 4.560 0.040 . . . . . . . 50421 1 43 . 1 1 42 42 LYS N N 15 4.880 0.060 . . . . . . . 50421 1 44 . 1 1 43 43 ASP N N 15 4.470 0.030 . . . . . . . 50421 1 45 . 1 1 44 44 LYS N N 15 4.710 0.040 . . . . . . . 50421 1 46 . 1 1 45 45 PRO N N 15 0.000 0.000 . . . . . . . 50421 1 47 . 1 1 46 46 GLU N N 15 4.680 0.100 . . . . . . . 50421 1 48 . 1 1 47 47 ASP N N 15 5.140 0.080 . . . . . . . 50421 1 49 . 1 1 48 48 ALA N N 15 4.440 0.030 . . . . . . . 50421 1 50 . 1 1 49 49 VAL N N 15 4.900 0.040 . . . . . . . 50421 1 51 . 1 1 50 50 LEU N N 15 4.740 0.120 . . . . . . . 50421 1 52 . 1 1 51 51 ASP N N 15 5.290 0.040 . . . . . . . 50421 1 53 . 1 1 52 52 VAL N N 15 5.640 0.040 . . . . . . . 50421 1 54 . 1 1 53 53 GLN N N 15 5.810 0.060 . . . . . . . 50421 1 55 . 1 1 54 54 GLY N N 15 5.880 0.060 . . . . . . . 50421 1 56 . 1 1 55 55 ILE N N 15 6.220 0.080 . . . . . . . 50421 1 57 . 1 1 56 56 ALA N N 15 7.800 0.140 . . . . . . . 50421 1 58 . 1 1 57 57 THR N N 15 6.940 0.130 . . . . . . . 50421 1 59 . 1 1 58 58 VAL N N 15 10.850 0.120 . . . . . . . 50421 1 60 . 1 1 59 59 THR N N 15 8.900 0.300 . . . . . . . 50421 1 61 . 1 1 60 60 PRO N N 15 0.000 0.000 . . . . . . . 50421 1 62 . 1 1 61 61 ALA N N 15 3.311 0.016 . . . . . . . 50421 1 63 . 1 1 62 62 ILE N N 15 9.300 0.170 . . . . . . . 50421 1 64 . 1 1 63 63 VAL N N 15 11.300 0.300 . . . . . . . 50421 1 65 . 1 1 64 64 GLN N N 15 12.300 0.300 . . . . . . . 50421 1 66 . 1 1 65 65 ALA N N 15 12.050 0.200 . . . . . . . 50421 1 67 . 1 1 66 66 CYS N N 15 11.000 0.300 . . . . . . . 50421 1 68 . 1 1 67 67 THR N N 15 9.980 0.240 . . . . . . . 50421 1 69 . 1 1 68 68 GLN N N 15 3.590 0.060 . . . . . . . 50421 1 70 . 1 1 69 69 ASP N N 15 7.390 0.190 . . . . . . . 50421 1 71 . 1 1 70 70 LYS N N 15 0.000 0.000 . . . . . . . 50421 1 72 . 1 1 71 71 GLN N N 15 15.000 0.300 . . . . . . . 50421 1 73 . 1 1 72 72 ALA N N 15 6.830 0.100 . . . . . . . 50421 1 74 . 1 1 73 73 ASN N N 15 5.550 0.060 . . . . . . . 50421 1 75 . 1 1 74 74 PHE N N 15 6.200 0.300 . . . . . . . 50421 1 76 . 1 1 75 75 LYS N N 15 0.000 0.000 . . . . . . . 50421 1 77 . 1 1 76 76 ASP N N 15 5.100 0.050 . . . . . . . 50421 1 78 . 1 1 77 77 LYS N N 15 4.580 0.110 . . . . . . . 50421 1 79 . 1 1 78 78 VAL N N 15 5.540 0.050 . . . . . . . 50421 1 80 . 1 1 79 79 LYS N N 15 11.000 0.400 . . . . . . . 50421 1 81 . 1 1 80 80 GLY N N 15 9.980 0.120 . . . . . . . 50421 1 82 . 1 1 81 81 GLU N N 15 4.310 0.050 . . . . . . . 50421 1 83 . 1 1 82 82 TRP N N 15 4.610 0.070 . . . . . . . 50421 1 84 . 1 1 82 82 TRP NE1 N 15 4.000 0.080 . . . . . . . 50421 1 85 . 1 1 82 82 TRP NE1 N 15 12.800 0.500 . . . . . . . 50421 1 86 . 1 1 83 83 ASP N N 15 8.410 0.080 . . . . . . . 50421 1 87 . 1 1 84 84 LYS N N 15 4.990 0.050 . . . . . . . 50421 1 88 . 1 1 85 85 ILE N N 15 5.670 0.070 . . . . . . . 50421 1 89 . 1 1 86 86 LYS N N 15 3.080 0.200 . . . . . . . 50421 1 90 . 1 1 87 87 LYS N N 15 7.110 0.180 . . . . . . . 50421 1 91 . 1 1 88 88 ASP N N 15 4.020 0.040 . . . . . . . 50421 1 92 . 1 1 89 89 MET N N 15 3.600 0.060 . . . . . . . 50421 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 50421 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Name 'Backbone R2 - pH 2.6' _Heteronucl_T2_list.Sample_condition_list_ID 2 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _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 'The relaxation data are R2 values.' _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 8 'T2/R2 relaxation' . . . 50421 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 3 $software_3 . . 50421 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 2 2 ASP N N 15 2.100 0.040 . . . . . . . 50421 2 2 . 1 1 3 3 ALA N N 15 2.080 0.050 . . . . . . . 50421 2 3 . 1 1 4 4 GLN N N 15 3.550 0.050 . . . . . . . 50421 2 4 . 1 1 5 5 LYS N N 15 3.310 0.070 . . . . . . . 50421 2 5 . 1 1 6 6 ALA N N 15 3.630 0.060 . . . . . . . 50421 2 6 . 1 1 7 7 ALA N N 15 4.620 0.070 . . . . . . . 50421 2 7 . 1 1 8 8 ASP N N 15 6.090 0.060 . . . . . . . 50421 2 8 . 1 1 9 9 ASN N N 15 9.140 0.130 . . . . . . . 50421 2 9 . 1 1 10 10 LYS N N 15 9.850 0.080 . . . . . . . 50421 2 10 . 1 1 11 11 LYS N N 15 9.500 0.090 . . . . . . . 50421 2 11 . 1 1 12 12 PRO N N 15 0.000 0.000 . . . . . . . 50421 2 12 . 1 1 13 13 VAL N N 15 14.070 0.160 . . . . . . . 50421 2 13 . 1 1 14 14 ASN N N 15 16.820 0.170 . . . . . . . 50421 2 14 . 1 1 15 15 SER N N 15 14.700 0.300 . . . . . . . 50421 2 15 . 1 1 16 16 TRP N N 15 10.510 0.150 . . . . . . . 50421 2 16 . 1 1 16 16 TRP NE1 N 15 11.920 0.140 . . . . . . . 50421 2 17 . 1 1 17 17 THR N N 15 13.890 0.120 . . . . . . . 50421 2 18 . 1 1 18 18 CYS N N 15 14.310 0.110 . . . . . . . 50421 2 19 . 1 1 19 19 GLU N N 15 13.920 0.100 . . . . . . . 50421 2 20 . 1 1 20 20 ASP N N 15 12.830 0.110 . . . . . . . 50421 2 21 . 1 1 21 21 PHE N N 15 14.280 0.170 . . . . . . . 50421 2 22 . 1 1 22 22 LEU N N 15 0.000 0.000 . . . . . . . 50421 2 23 . 1 1 23 23 ALA N N 15 13.790 0.100 . . . . . . . 50421 2 24 . 1 1 24 24 VAL N N 15 14.340 0.070 . . . . . . . 50421 2 25 . 1 1 25 25 ASP N N 15 12.240 0.100 . . . . . . . 50421 2 26 . 1 1 26 26 GLU N N 15 12.730 0.100 . . . . . . . 50421 2 27 . 1 1 27 27 SER N N 15 13.160 0.200 . . . . . . . 50421 2 28 . 1 1 28 28 PHE N N 15 13.980 0.120 . . . . . . . 50421 2 29 . 1 1 29 29 GLN N N 15 13.420 0.100 . . . . . . . 50421 2 30 . 1 1 30 30 PRO N N 15 0.000 0.000 . . . . . . . 50421 2 31 . 1 1 31 31 THR N N 15 12.500 0.300 . . . . . . . 50421 2 32 . 1 1 32 32 ALA N N 15 13.410 0.160 . . . . . . . 50421 2 33 . 1 1 33 33 VAL N N 15 24.100 4.300 . . . . . . . 50421 2 34 . 1 1 34 34 GLY N N 15 13.720 0.160 . . . . . . . 50421 2 35 . 1 1 35 35 PHE N N 15 14.840 0.150 . . . . . . . 50421 2 36 . 1 1 36 36 ALA N N 15 13.040 0.160 . . . . . . . 50421 2 37 . 1 1 37 37 GLU N N 15 12.840 0.210 . . . . . . . 50421 2 38 . 1 1 38 38 ALA N N 15 12.630 0.070 . . . . . . . 50421 2 39 . 1 1 39 39 LEU N N 15 12.650 0.140 . . . . . . . 50421 2 40 . 1 1 40 40 ASN N N 15 14.620 0.220 . . . . . . . 50421 2 41 . 1 1 41 41 ASN N N 15 12.830 0.100 . . . . . . . 50421 2 42 . 1 1 42 42 LYS N N 15 12.700 0.500 . . . . . . . 50421 2 43 . 1 1 43 43 ASP N N 15 12.680 0.070 . . . . . . . 50421 2 44 . 1 1 44 44 LYS N N 15 12.360 0.180 . . . . . . . 50421 2 45 . 1 1 45 45 PRO N N 15 0.000 0.000 . . . . . . . 50421 2 46 . 1 1 46 46 GLU N N 15 12.700 0.070 . . . . . . . 50421 2 47 . 1 1 47 47 ASP N N 15 13.020 0.140 . . . . . . . 50421 2 48 . 1 1 48 48 ALA N N 15 12.310 0.080 . . . . . . . 50421 2 49 . 1 1 49 49 VAL N N 15 14.030 0.160 . . . . . . . 50421 2 50 . 1 1 50 50 LEU N N 15 13.730 0.220 . . . . . . . 50421 2 51 . 1 1 51 51 ASP N N 15 15.550 0.200 . . . . . . . 50421 2 52 . 1 1 52 52 VAL N N 15 15.320 0.230 . . . . . . . 50421 2 53 . 1 1 53 53 GLN N N 15 0.000 0.000 . . . . . . . 50421 2 54 . 1 1 54 54 GLY N N 15 14.260 0.110 . . . . . . . 50421 2 55 . 1 1 55 55 ILE N N 15 0.000 0.000 . . . . . . . 50421 2 56 . 1 1 56 56 ALA N N 15 14.540 0.070 . . . . . . . 50421 2 57 . 1 1 57 57 THR N N 15 12.650 0.220 . . . . . . . 50421 2 58 . 1 1 58 58 VAL N N 15 15.740 0.170 . . . . . . . 50421 2 59 . 1 1 59 59 THR N N 15 13.940 0.110 . . . . . . . 50421 2 60 . 1 1 60 60 PRO N N 15 0.000 0.000 . . . . . . . 50421 2 61 . 1 1 61 61 ALA N N 15 14.420 0.130 . . . . . . . 50421 2 62 . 1 1 62 62 ILE N N 15 14.620 0.190 . . . . . . . 50421 2 63 . 1 1 63 63 VAL N N 15 14.660 0.140 . . . . . . . 50421 2 64 . 1 1 64 64 GLN N N 15 13.810 0.100 . . . . . . . 50421 2 65 . 1 1 65 65 ALA N N 15 14.870 0.100 . . . . . . . 50421 2 66 . 1 1 66 66 CYS N N 15 13.720 0.080 . . . . . . . 50421 2 67 . 1 1 67 67 THR N N 15 14.400 0.300 . . . . . . . 50421 2 68 . 1 1 68 68 GLN N N 15 14.100 0.100 . . . . . . . 50421 2 69 . 1 1 69 69 ASP N N 15 12.200 0.090 . . . . . . . 50421 2 70 . 1 1 70 70 LYS N N 15 13.560 0.110 . . . . . . . 50421 2 71 . 1 1 71 71 GLN N N 15 13.400 0.300 . . . . . . . 50421 2 72 . 1 1 72 72 ALA N N 15 14.020 0.100 . . . . . . . 50421 2 73 . 1 1 73 73 ASN N N 15 0.000 0.000 . . . . . . . 50421 2 74 . 1 1 74 74 PHE N N 15 15.330 0.170 . . . . . . . 50421 2 75 . 1 1 75 75 LYS N N 15 15.100 0.080 . . . . . . . 50421 2 76 . 1 1 76 76 ASP N N 15 15.630 0.110 . . . . . . . 50421 2 77 . 1 1 77 77 LYS N N 15 14.020 0.160 . . . . . . . 50421 2 78 . 1 1 78 78 VAL N N 15 13.810 0.100 . . . . . . . 50421 2 79 . 1 1 79 79 LYS N N 15 14.430 0.200 . . . . . . . 50421 2 80 . 1 1 80 80 GLY N N 15 14.130 0.090 . . . . . . . 50421 2 81 . 1 1 81 81 GLU N N 15 13.120 0.060 . . . . . . . 50421 2 82 . 1 1 82 82 TRP N N 15 14.550 0.110 . . . . . . . 50421 2 83 . 1 1 82 82 TRP NE1 N 15 9.490 0.070 . . . . . . . 50421 2 84 . 1 1 83 83 ASP N N 15 12.910 0.120 . . . . . . . 50421 2 85 . 1 1 84 84 LYS N N 15 12.380 0.110 . . . . . . . 50421 2 86 . 1 1 85 85 ILE N N 15 11.240 0.120 . . . . . . . 50421 2 87 . 1 1 86 86 LYS N N 15 12.090 0.150 . . . . . . . 50421 2 88 . 1 1 87 87 LYS N N 15 8.760 0.030 . . . . . . . 50421 2 89 . 1 1 88 88 ASP N N 15 6.810 0.070 . . . . . . . 50421 2 90 . 1 1 89 89 MET N N 15 4.900 0.080 . . . . . . . 50421 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_3 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_3 _Heteronucl_T2_list.Entry_ID 50421 _Heteronucl_T2_list.ID 3 _Heteronucl_T2_list.Name 'Backbone R2 - pH 2.8' _Heteronucl_T2_list.Sample_condition_list_ID 3 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_3 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _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 'The relaxation data are R2 values.' _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 8 'T2/R2 relaxation' . . . 50421 3 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 3 $software_3 . . 50421 3 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 2 2 ASP N N 15 1.563 0.018 . . . . . . . 50421 3 2 . 1 1 3 3 ALA N N 15 2.090 0.030 . . . . . . . 50421 3 3 . 1 1 4 4 GLN N N 15 3.290 0.050 . . . . . . . 50421 3 4 . 1 1 5 5 LYS N N 15 3.370 0.060 . . . . . . . 50421 3 5 . 1 1 6 6 ALA N N 15 4.040 0.024 . . . . . . . 50421 3 6 . 1 1 7 7 ALA N N 15 4.870 0.080 . . . . . . . 50421 3 7 . 1 1 8 8 ASP N N 15 6.000 0.040 . . . . . . . 50421 3 8 . 1 1 9 9 ASN N N 15 7.770 0.040 . . . . . . . 50421 3 9 . 1 1 10 10 LYS N N 15 9.860 0.050 . . . . . . . 50421 3 10 . 1 1 11 11 LYS N N 15 9.570 0.060 . . . . . . . 50421 3 11 . 1 1 12 12 PRO N N 15 0.000 0.000 . . . . . . . 50421 3 12 . 1 1 13 13 VAL N N 15 14.100 0.400 . . . . . . . 50421 3 13 . 1 1 14 14 ASN N N 15 15.800 0.400 . . . . . . . 50421 3 14 . 1 1 15 15 SER N N 15 14.350 0.230 . . . . . . . 50421 3 15 . 1 1 16 16 TRP N N 15 8.000 0.300 . . . . . . . 50421 3 16 . 1 1 16 16 TRP NE1 N 15 12.080 0.180 . . . . . . . 50421 3 17 . 1 1 17 17 THR N N 15 14.060 0.240 . . . . . . . 50421 3 18 . 1 1 18 18 CYS N N 15 14.900 0.300 . . . . . . . 50421 3 19 . 1 1 19 19 GLU N N 15 13.800 0.300 . . . . . . . 50421 3 20 . 1 1 20 20 ASP N N 15 13.100 0.080 . . . . . . . 50421 3 21 . 1 1 21 21 PHE N N 15 14.400 0.300 . . . . . . . 50421 3 22 . 1 1 22 22 LEU N N 15 13.500 0.800 . . . . . . . 50421 3 23 . 1 1 23 23 ALA N N 15 13.700 0.300 . . . . . . . 50421 3 24 . 1 1 24 24 VAL N N 15 14.440 0.140 . . . . . . . 50421 3 25 . 1 1 25 25 ASP N N 15 12.860 0.170 . . . . . . . 50421 3 26 . 1 1 26 26 GLU N N 15 12.900 0.090 . . . . . . . 50421 3 27 . 1 1 27 27 SER N N 15 13.440 0.200 . . . . . . . 50421 3 28 . 1 1 28 28 PHE N N 15 14.200 0.300 . . . . . . . 50421 3 29 . 1 1 29 29 GLN N N 15 13.300 0.300 . . . . . . . 50421 3 30 . 1 1 30 30 PRO N N 15 0.000 0.000 . . . . . . . 50421 3 31 . 1 1 31 31 THR N N 15 12.760 0.180 . . . . . . . 50421 3 32 . 1 1 32 32 ALA N N 15 13.850 0.250 . . . . . . . 50421 3 33 . 1 1 33 33 VAL N N 15 12.900 0.800 . . . . . . . 50421 3 34 . 1 1 34 34 GLY N N 15 13.700 0.400 . . . . . . . 50421 3 35 . 1 1 35 35 PHE N N 15 15.000 0.400 . . . . . . . 50421 3 36 . 1 1 36 36 ALA N N 15 13.700 0.300 . . . . . . . 50421 3 37 . 1 1 37 37 GLU N N 15 13.700 0.400 . . . . . . . 50421 3 38 . 1 1 38 38 ALA N N 15 13.040 0.180 . . . . . . . 50421 3 39 . 1 1 39 39 LEU N N 15 14.260 0.180 . . . . . . . 50421 3 40 . 1 1 40 40 ASN N N 15 15.400 0.300 . . . . . . . 50421 3 41 . 1 1 41 41 ASN N N 15 12.300 0.210 . . . . . . . 50421 3 42 . 1 1 42 42 LYS N N 15 9.000 0.300 . . . . . . . 50421 3 43 . 1 1 43 43 ASP N N 15 13.070 0.160 . . . . . . . 50421 3 44 . 1 1 44 44 LYS N N 15 12.900 0.300 . . . . . . . 50421 3 45 . 1 1 45 45 PRO N N 15 0.000 0.000 . . . . . . . 50421 3 46 . 1 1 46 46 GLU N N 15 13.800 0.160 . . . . . . . 50421 3 47 . 1 1 47 47 ASP N N 15 13.430 0.140 . . . . . . . 50421 3 48 . 1 1 48 48 ALA N N 15 12.500 0.100 . . . . . . . 50421 3 49 . 1 1 49 49 VAL N N 15 15.200 0.300 . . . . . . . 50421 3 50 . 1 1 50 50 LEU N N 15 14.100 0.300 . . . . . . . 50421 3 51 . 1 1 51 51 ASP N N 15 16.400 0.300 . . . . . . . 50421 3 52 . 1 1 52 52 VAL N N 15 14.400 0.300 . . . . . . . 50421 3 53 . 1 1 53 53 GLN N N 15 6.900 0.300 . . . . . . . 50421 3 54 . 1 1 54 54 GLY N N 15 13.720 0.190 . . . . . . . 50421 3 55 . 1 1 55 55 ILE N N 15 6.030 0.240 . . . . . . . 50421 3 56 . 1 1 56 56 ALA N N 15 14.750 0.140 . . . . . . . 50421 3 57 . 1 1 57 57 THR N N 15 13.150 0.170 . . . . . . . 50421 3 58 . 1 1 58 58 VAL N N 15 15.280 0.120 . . . . . . . 50421 3 59 . 1 1 59 59 THR N N 15 14.900 0.400 . . . . . . . 50421 3 60 . 1 1 60 60 PRO N N 15 0.000 0.000 . . . . . . . 50421 3 61 . 1 1 61 61 ALA N N 15 14.720 0.180 . . . . . . . 50421 3 62 . 1 1 62 62 ILE N N 15 13.700 0.500 . . . . . . . 50421 3 63 . 1 1 63 63 VAL N N 15 15.330 0.130 . . . . . . . 50421 3 64 . 1 1 64 64 GLN N N 15 14.250 0.150 . . . . . . . 50421 3 65 . 1 1 65 65 ALA N N 15 15.790 0.230 . . . . . . . 50421 3 66 . 1 1 66 66 CYS N N 15 14.070 0.160 . . . . . . . 50421 3 67 . 1 1 67 67 THR N N 15 14.600 0.300 . . . . . . . 50421 3 68 . 1 1 68 68 GLN N N 15 14.170 0.150 . . . . . . . 50421 3 69 . 1 1 69 69 ASP N N 15 12.400 0.170 . . . . . . . 50421 3 70 . 1 1 70 70 LYS N N 15 13.440 0.190 . . . . . . . 50421 3 71 . 1 1 71 71 GLN N N 15 13.620 0.210 . . . . . . . 50421 3 72 . 1 1 72 72 ALA N N 15 14.060 0.120 . . . . . . . 50421 3 73 . 1 1 73 73 ASN N N 15 17.200 0.800 . . . . . . . 50421 3 74 . 1 1 74 74 PHE N N 15 14.900 0.600 . . . . . . . 50421 3 75 . 1 1 75 75 LYS N N 15 14.290 0.240 . . . . . . . 50421 3 76 . 1 1 76 76 ASP N N 15 14.800 0.300 . . . . . . . 50421 3 77 . 1 1 77 77 LYS N N 15 14.500 0.300 . . . . . . . 50421 3 78 . 1 1 78 78 VAL N N 15 14.370 0.160 . . . . . . . 50421 3 79 . 1 1 79 79 LYS N N 15 15.360 0.250 . . . . . . . 50421 3 80 . 1 1 80 80 GLY N N 15 14.980 0.240 . . . . . . . 50421 3 81 . 1 1 81 81 GLU N N 15 13.080 0.140 . . . . . . . 50421 3 82 . 1 1 82 82 TRP N N 15 14.700 0.400 . . . . . . . 50421 3 83 . 1 1 82 82 TRP NE1 N 15 9.670 0.070 . . . . . . . 50421 3 84 . 1 1 83 83 ASP N N 15 13.670 0.190 . . . . . . . 50421 3 85 . 1 1 84 84 LYS N N 15 12.690 0.200 . . . . . . . 50421 3 86 . 1 1 85 85 ILE N N 15 11.950 0.080 . . . . . . . 50421 3 87 . 1 1 86 86 LYS N N 15 12.580 0.180 . . . . . . . 50421 3 88 . 1 1 87 87 LYS N N 15 8.360 0.050 . . . . . . . 50421 3 89 . 1 1 88 88 ASP N N 15 6.690 0.040 . . . . . . . 50421 3 90 . 1 1 89 89 MET N N 15 4.820 0.030 . . . . . . . 50421 3 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_4 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_4 _Heteronucl_T2_list.Entry_ID 50421 _Heteronucl_T2_list.ID 4 _Heteronucl_T2_list.Name 'Side chain methyl R2 - pH 2.6' _Heteronucl_T2_list.Sample_condition_list_ID 2 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _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 'The relaxation data are R2 values.' _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 24 'T2/R2 relaxation' . . . 50421 4 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 3 $software_3 . . 50421 4 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 13 13 VAL CG1 C 13 13.9 3.4 . . . . . . . 50421 4 2 . 1 1 13 13 VAL CG2 C 13 12.9 0.8 . . . . . . . 50421 4 3 . 1 1 22 22 LEU CD1 C 13 50.6 12.0 . . . . . . . 50421 4 4 . 1 1 22 22 LEU CD2 C 13 14.6 1.9 . . . . . . . 50421 4 5 . 1 1 24 24 VAL CG1 C 13 24.8 3.7 . . . . . . . 50421 4 6 . 1 1 24 24 VAL CG2 C 13 12.6 1.0 . . . . . . . 50421 4 7 . 1 1 33 33 VAL CG1 C 13 14.0 1.0 . . . . . . . 50421 4 8 . 1 1 33 33 VAL CG2 C 13 23.1 2.5 . . . . . . . 50421 4 9 . 1 1 39 39 LEU CD1 C 13 11.9 0.6 . . . . . . . 50421 4 10 . 1 1 39 39 LEU CD2 C 13 19.0 1.6 . . . . . . . 50421 4 11 . 1 1 49 49 VAL CG1 C 13 17.7 1.6 . . . . . . . 50421 4 12 . 1 1 49 49 VAL CG2 C 13 0.00 0.0 . . . . . . . 50421 4 13 . 1 1 50 50 LEU CD1 C 13 12.8 0.8 . . . . . . . 50421 4 14 . 1 1 50 50 LEU CD2 C 13 13.6 0.8 . . . . . . . 50421 4 15 . 1 1 52 52 VAL CG1 C 13 17.6 2.2 . . . . . . . 50421 4 16 . 1 1 52 52 VAL CG2 C 13 18.4 1.8 . . . . . . . 50421 4 17 . 1 1 55 55 ILE CD1 C 13 8.7 0.7 . . . . . . . 50421 4 18 . 1 1 58 58 VAL CG1 C 13 20.1 3.5 . . . . . . . 50421 4 19 . 1 1 58 58 VAL CG2 C 13 14.0 2.1 . . . . . . . 50421 4 20 . 1 1 62 62 ILE CD1 C 13 0.00 0.0 . . . . . . . 50421 4 21 . 1 1 63 63 VAL CG1 C 13 17.9 1.7 . . . . . . . 50421 4 22 . 1 1 63 63 VAL CG2 C 13 13.4 0.9 . . . . . . . 50421 4 23 . 1 1 78 78 VAL CG1 C 13 20.0 2.6 . . . . . . . 50421 4 24 . 1 1 78 78 VAL CG2 C 13 13.5 1.4 . . . . . . . 50421 4 25 . 1 1 85 85 ILE CD1 C 13 6.8 0.6 . . . . . . . 50421 4 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_5 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_5 _Heteronucl_T2_list.Entry_ID 50421 _Heteronucl_T2_list.ID 5 _Heteronucl_T2_list.Name 'Side chain methyl R2 - pH 2.8' _Heteronucl_T2_list.Sample_condition_list_ID 3 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_3 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _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 'The relaxation data are R2 values.' _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 26 'T2/R2 relaxation' . . . 50421 5 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 3 $software_3 . . 50421 5 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 13 13 VAL CG1 C 13 14.8 2.3 . . . . . . . 50421 5 2 . 1 1 13 13 VAL CG2 C 13 14.2 0.8 . . . . . . . 50421 5 3 . 1 1 22 22 LEU CD1 C 13 15.0 2.1 . . . . . . . 50421 5 4 . 1 1 22 22 LEU CD2 C 13 14.0 0.7 . . . . . . . 50421 5 5 . 1 1 24 24 VAL CG1 C 13 23.2 1.8 . . . . . . . 50421 5 6 . 1 1 24 24 VAL CG2 C 13 14.3 0.8 . . . . . . . 50421 5 7 . 1 1 33 33 VAL CG1 C 13 15.8 0.8 . . . . . . . 50421 5 8 . 1 1 33 33 VAL CG2 C 13 22.8 1.9 . . . . . . . 50421 5 9 . 1 1 39 39 LEU CD1 C 13 14.0 0.7 . . . . . . . 50421 5 10 . 1 1 39 39 LEU CD2 C 13 26.1 1.4 . . . . . . . 50421 5 11 . 1 1 49 49 VAL CG1 C 13 17.1 1.0 . . . . . . . 50421 5 12 . 1 1 49 49 VAL CG2 C 13 13.8 2.2 . . . . . . . 50421 5 13 . 1 1 50 50 LEU CD1 C 13 12.8 1.0 . . . . . . . 50421 5 14 . 1 1 50 50 LEU CD2 C 13 15.5 0.7 . . . . . . . 50421 5 15 . 1 1 52 52 VAL CG1 C 13 16.2 1.1 . . . . . . . 50421 5 16 . 1 1 52 52 VAL CG2 C 13 14.5 1.1 . . . . . . . 50421 5 17 . 1 1 55 55 ILE CD1 C 13 12.6 0.7 . . . . . . . 50421 5 18 . 1 1 58 58 VAL CG1 C 13 14.2 1.1 . . . . . . . 50421 5 19 . 1 1 58 58 VAL CG2 C 13 13.3 1.3 . . . . . . . 50421 5 20 . 1 1 62 62 ILE CD1 C 13 18.9 2.9 . . . . . . . 50421 5 21 . 1 1 63 63 VAL CG1 C 13 14.4 1.2 . . . . . . . 50421 5 22 . 1 1 63 63 VAL CG2 C 13 16.1 1.1 . . . . . . . 50421 5 23 . 1 1 78 78 VAL CG1 C 13 16.1 1.5 . . . . . . . 50421 5 24 . 1 1 78 78 VAL CG2 C 13 13.4 1.0 . . . . . . . 50421 5 25 . 1 1 85 85 ILE CD1 C 13 7.6 0.5 . . . . . . . 50421 5 stop_ save_