######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 50421 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name 'Backbone R1 - pH 2.0' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details 'The relaxation data are R1 values.' _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 4 'T1/R1 relaxation' . . . 50421 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 3 $software_3 . . 50421 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 ASP N N 15 0.680 0.030 . . . . . 50421 1 2 . 1 1 3 3 ALA N N 15 0.850 0.013 . . . . . 50421 1 3 . 1 1 4 4 GLN N N 15 1.053 0.013 . . . . . 50421 1 4 . 1 1 5 5 LYS N N 15 1.103 0.013 . . . . . 50421 1 5 . 1 1 6 6 ALA N N 15 1.162 0.016 . . . . . 50421 1 6 . 1 1 7 7 ALA N N 15 1.151 0.012 . . . . . 50421 1 7 . 1 1 8 8 ASP N N 15 1.224 0.014 . . . . . 50421 1 8 . 1 1 9 9 ASN N N 15 1.073 0.018 . . . . . 50421 1 9 . 1 1 10 10 LYS N N 15 1.226 0.021 . . . . . 50421 1 10 . 1 1 11 11 LYS N N 15 1.321 0.011 . . . . . 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 1.425 0.016 . . . . . 50421 1 13 . 1 1 14 14 ASN N N 15 1.506 0.017 . . . . . 50421 1 14 . 1 1 15 15 SER N N 15 1.498 0.014 . . . . . 50421 1 15 . 1 1 16 16 TRP N N 15 1.592 0.024 . . . . . 50421 1 16 . 1 1 16 16 TRP NE1 N 15 1.490 0.080 . . . . . 50421 1 17 . 1 1 16 16 TRP NE1 N 15 2.010 0.130 . . . . . 50421 1 18 . 1 1 17 17 THR N N 15 1.750 0.070 . . . . . 50421 1 19 . 1 1 18 18 CYS N N 15 1.740 0.050 . . . . . 50421 1 20 . 1 1 19 19 GLU N N 15 1.820 0.030 . . . . . 50421 1 21 . 1 1 20 20 ASP N N 15 1.770 0.070 . . . . . 50421 1 22 . 1 1 21 21 PHE N N 15 1.690 0.030 . . . . . 50421 1 23 . 1 1 22 22 LEU N N 15 1.760 0.030 . . . . . 50421 1 24 . 1 1 23 23 ALA N N 15 1.720 0.040 . . . . . 50421 1 25 . 1 1 24 24 VAL N N 15 1.620 0.030 . . . . . 50421 1 26 . 1 1 25 25 ASP N N 15 1.675 0.020 . . . . . 50421 1 27 . 1 1 26 26 GLU N N 15 1.640 0.017 . . . . . 50421 1 28 . 1 1 27 27 SER N N 15 1.700 0.030 . . . . . 50421 1 29 . 1 1 28 28 PHE N N 15 1.635 0.011 . . . . . 50421 1 30 . 1 1 29 29 GLN N N 15 1.609 0.021 . . . . . 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 1.670 0.040 . . . . . 50421 1 33 . 1 1 32 32 ALA N N 15 1.598 0.019 . . . . . 50421 1 34 . 1 1 33 33 VAL N N 15 1.516 0.016 . . . . . 50421 1 35 . 1 1 34 34 GLY N N 15 1.614 0.018 . . . . . 50421 1 36 . 1 1 35 35 PHE N N 15 1.564 0.008 . . . . . 50421 1 37 . 1 1 36 36 ALA N N 15 1.502 0.015 . . . . . 50421 1 38 . 1 1 37 37 GLU N N 15 1.617 0.010 . . . . . 50421 1 39 . 1 1 38 38 ALA N N 15 1.562 0.007 . . . . . 50421 1 40 . 1 1 39 39 LEU N N 15 1.569 0.007 . . . . . 50421 1 41 . 1 1 40 40 ASN N N 15 1.594 0.013 . . . . . 50421 1 42 . 1 1 41 41 ASN N N 15 1.548 0.011 . . . . . 50421 1 43 . 1 1 42 42 LYS N N 15 1.600 0.010 . . . . . 50421 1 44 . 1 1 43 43 ASP N N 15 1.602 0.011 . . . . . 50421 1 45 . 1 1 44 44 LYS N N 15 1.593 0.011 . . . . . 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 1.579 0.020 . . . . . 50421 1 48 . 1 1 47 47 ASP N N 15 1.499 0.018 . . . . . 50421 1 49 . 1 1 48 48 ALA N N 15 1.562 0.008 . . . . . 50421 1 50 . 1 1 49 49 VAL N N 15 1.567 0.011 . . . . . 50421 1 51 . 1 1 50 50 LEU N N 15 1.651 0.023 . . . . . 50421 1 52 . 1 1 51 51 ASP N N 15 1.516 0.012 . . . . . 50421 1 53 . 1 1 52 52 VAL N N 15 1.569 0.007 . . . . . 50421 1 54 . 1 1 53 53 GLN N N 15 1.627 0.013 . . . . . 50421 1 55 . 1 1 54 54 GLY N N 15 1.536 0.017 . . . . . 50421 1 56 . 1 1 55 55 ILE N N 15 1.585 0.018 . . . . . 50421 1 57 . 1 1 56 56 ALA N N 15 1.609 0.013 . . . . . 50421 1 58 . 1 1 57 57 THR N N 15 1.560 0.030 . . . . . 50421 1 59 . 1 1 58 58 VAL N N 15 1.649 0.017 . . . . . 50421 1 60 . 1 1 59 59 THR N N 15 1.770 0.110 . . . . . 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 1.334 0.009 . . . . . 50421 1 63 . 1 1 62 62 ILE N N 15 1.690 0.040 . . . . . 50421 1 64 . 1 1 63 63 VAL N N 15 1.700 0.060 . . . . . 50421 1 65 . 1 1 64 64 GLN N N 15 1.430 0.030 . . . . . 50421 1 66 . 1 1 65 65 ALA N N 15 1.510 0.040 . . . . . 50421 1 67 . 1 1 66 66 CYS N N 15 1.640 0.040 . . . . . 50421 1 68 . 1 1 67 67 THR N N 15 1.840 0.070 . . . . . 50421 1 69 . 1 1 68 68 GLN N N 15 1.105 0.009 . . . . . 50421 1 70 . 1 1 69 69 ASP N N 15 1.190 0.030 . . . . . 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 1.530 0.030 . . . . . 50421 1 73 . 1 1 72 72 ALA N N 15 1.459 0.019 . . . . . 50421 1 74 . 1 1 73 73 ASN N N 15 1.446 0.018 . . . . . 50421 1 75 . 1 1 74 74 PHE N N 15 1.480 0.050 . . . . . 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 1.563 0.013 . . . . . 50421 1 78 . 1 1 77 77 LYS N N 15 1.587 0.015 . . . . . 50421 1 79 . 1 1 78 78 VAL N N 15 1.537 0.021 . . . . . 50421 1 80 . 1 1 79 79 LYS N N 15 1.560 0.040 . . . . . 50421 1 81 . 1 1 80 80 GLY N N 15 1.418 0.019 . . . . . 50421 1 82 . 1 1 81 81 GLU N N 15 1.563 0.012 . . . . . 50421 1 83 . 1 1 82 82 TRP N N 15 1.566 0.012 . . . . . 50421 1 84 . 1 1 82 82 TRP NE1 N 15 1.920 0.130 . . . . . 50421 1 85 . 1 1 82 82 TRP NE1 N 15 1.040 0.070 . . . . . 50421 1 86 . 1 1 83 83 ASP N N 15 1.581 0.010 . . . . . 50421 1 87 . 1 1 84 84 LYS N N 15 1.570 0.014 . . . . . 50421 1 88 . 1 1 85 85 ILE N N 15 1.535 0.012 . . . . . 50421 1 89 . 1 1 86 86 LYS N N 15 1.240 0.050 . . . . . 50421 1 90 . 1 1 87 87 LYS N N 15 1.330 0.040 . . . . . 50421 1 91 . 1 1 88 88 ASP N N 15 1.298 0.012 . . . . . 50421 1 92 . 1 1 89 89 MET N N 15 1.105 0.009 . . . . . 50421 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_2 _Heteronucl_T1_list.Entry_ID 50421 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Name 'Backbone R1 - pH 2.6' _Heteronucl_T1_list.Sample_condition_list_ID 2 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details 'The relaxation data are R1 values.' _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 5 'T1/R1 relaxation' . . . 50421 2 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 3 $software_3 . . 50421 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 ASP N N 15 0.817 0.018 . . . . . 50421 2 2 . 1 1 3 3 ALA N N 15 0.978 0.012 . . . . . 50421 2 3 . 1 1 4 4 GLN N N 15 0.969 0.020 . . . . . 50421 2 4 . 1 1 5 5 LYS N N 15 1.066 0.024 . . . . . 50421 2 5 . 1 1 6 6 ALA N N 15 1.080 0.030 . . . . . 50421 2 6 . 1 1 7 7 ALA N N 15 1.120 0.019 . . . . . 50421 2 7 . 1 1 8 8 ASP N N 15 1.256 0.012 . . . . . 50421 2 8 . 1 1 9 9 ASN N N 15 1.348 0.015 . . . . . 50421 2 9 . 1 1 10 10 LYS N N 15 1.239 0.012 . . . . . 50421 2 10 . 1 1 11 11 LYS N N 15 1.219 0.015 . . . . . 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 1.410 0.030 . . . . . 50421 2 13 . 1 1 14 14 ASN N N 15 1.730 0.050 . . . . . 50421 2 14 . 1 1 15 15 SER N N 15 1.660 0.060 . . . . . 50421 2 15 . 1 1 16 16 TRP N N 15 1.570 0.060 . . . . . 50421 2 16 . 1 1 16 16 TRP NE1 N 15 1.390 0.050 . . . . . 50421 2 17 . 1 1 17 17 THR N N 15 1.610 0.050 . . . . . 50421 2 18 . 1 1 18 18 CYS N N 15 1.400 0.030 . . . . . 50421 2 19 . 1 1 19 19 GLU N N 15 1.403 0.022 . . . . . 50421 2 20 . 1 1 20 20 ASP N N 15 1.301 0.024 . . . . . 50421 2 21 . 1 1 21 21 PHE N N 15 1.360 0.030 . . . . . 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 1.189 0.008 . . . . . 50421 2 24 . 1 1 24 24 VAL N N 15 1.143 0.011 . . . . . 50421 2 25 . 1 1 25 25 ASP N N 15 1.092 0.009 . . . . . 50421 2 26 . 1 1 26 26 GLU N N 15 0.998 0.018 . . . . . 50421 2 27 . 1 1 27 27 SER N N 15 1.245 0.016 . . . . . 50421 2 28 . 1 1 28 28 PHE N N 15 1.100 0.020 . . . . . 50421 2 29 . 1 1 29 29 GLN N N 15 1.282 0.011 . . . . . 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 1.450 0.030 . . . . . 50421 2 32 . 1 1 32 32 ALA N N 15 1.312 0.024 . . . . . 50421 2 33 . 1 1 33 33 VAL N N 15 1.670 0.150 . . . . . 50421 2 34 . 1 1 34 34 GLY N N 15 1.308 0.018 . . . . . 50421 2 35 . 1 1 35 35 PHE N N 15 1.455 0.023 . . . . . 50421 2 36 . 1 1 36 36 ALA N N 15 1.262 0.013 . . . . . 50421 2 37 . 1 1 37 37 GLU N N 15 1.199 0.019 . . . . . 50421 2 38 . 1 1 38 38 ALA N N 15 1.354 0.024 . . . . . 50421 2 39 . 1 1 39 39 LEU N N 15 1.166 0.017 . . . . . 50421 2 40 . 1 1 40 40 ASN N N 15 1.236 0.017 . . . . . 50421 2 41 . 1 1 41 41 ASN N N 15 1.301 0.023 . . . . . 50421 2 42 . 1 1 42 42 LYS N N 15 1.173 0.015 . . . . . 50421 2 43 . 1 1 43 43 ASP N N 15 1.129 0.014 . . . . . 50421 2 44 . 1 1 44 44 LYS N N 15 1.070 0.021 . . . . . 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 1.127 0.013 . . . . . 50421 2 47 . 1 1 47 47 ASP N N 15 1.269 0.018 . . . . . 50421 2 48 . 1 1 48 48 ALA N N 15 1.348 0.020 . . . . . 50421 2 49 . 1 1 49 49 VAL N N 15 1.173 0.014 . . . . . 50421 2 50 . 1 1 50 50 LEU N N 15 1.280 0.030 . . . . . 50421 2 51 . 1 1 51 51 ASP N N 15 1.224 0.017 . . . . . 50421 2 52 . 1 1 52 52 VAL N N 15 1.107 0.018 . . . . . 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 1.256 0.017 . . . . . 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 1.278 0.015 . . . . . 50421 2 57 . 1 1 57 57 THR N N 15 1.349 0.025 . . . . . 50421 2 58 . 1 1 58 58 VAL N N 15 1.338 0.022 . . . . . 50421 2 59 . 1 1 59 59 THR N N 15 1.440 0.030 . . . . . 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 1.102 0.014 . . . . . 50421 2 62 . 1 1 62 62 ILE N N 15 1.138 0.017 . . . . . 50421 2 63 . 1 1 63 63 VAL N N 15 1.096 0.013 . . . . . 50421 2 64 . 1 1 64 64 GLN N N 15 1.137 0.012 . . . . . 50421 2 65 . 1 1 65 65 ALA N N 15 1.216 0.016 . . . . . 50421 2 66 . 1 1 66 66 CYS N N 15 1.270 0.030 . . . . . 50421 2 67 . 1 1 67 67 THR N N 15 1.480 0.040 . . . . . 50421 2 68 . 1 1 68 68 GLN N N 15 1.284 0.021 . . . . . 50421 2 69 . 1 1 69 69 ASP N N 15 1.141 0.016 . . . . . 50421 2 70 . 1 1 70 70 LYS N N 15 1.160 0.010 . . . . . 50421 2 71 . 1 1 71 71 GLN N N 15 1.046 0.020 . . . . . 50421 2 72 . 1 1 72 72 ALA N N 15 1.380 0.030 . . . . . 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 1.640 0.060 . . . . . 50421 2 75 . 1 1 75 75 LYS N N 15 1.610 0.060 . . . . . 50421 2 76 . 1 1 76 76 ASP N N 15 1.348 0.021 . . . . . 50421 2 77 . 1 1 77 77 LYS N N 15 1.230 0.017 . . . . . 50421 2 78 . 1 1 78 78 VAL N N 15 1.137 0.010 . . . . . 50421 2 79 . 1 1 79 79 LYS N N 15 1.216 0.014 . . . . . 50421 2 80 . 1 1 80 80 GLY N N 15 1.230 0.017 . . . . . 50421 2 81 . 1 1 81 81 GLU N N 15 1.196 0.013 . . . . . 50421 2 82 . 1 1 82 82 TRP N N 15 1.090 0.016 . . . . . 50421 2 83 . 1 1 82 82 TRP NE1 N 15 1.290 0.030 . . . . . 50421 2 84 . 1 1 83 83 ASP N N 15 1.042 0.020 . . . . . 50421 2 85 . 1 1 84 84 LYS N N 15 1.127 0.009 . . . . . 50421 2 86 . 1 1 85 85 ILE N N 15 1.103 0.010 . . . . . 50421 2 87 . 1 1 86 86 LYS N N 15 1.334 0.009 . . . . . 50421 2 88 . 1 1 87 87 LYS N N 15 1.392 0.007 . . . . . 50421 2 89 . 1 1 88 88 ASP N N 15 1.210 0.030 . . . . . 50421 2 90 . 1 1 89 89 MET N N 15 1.290 0.030 . . . . . 50421 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_3 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_3 _Heteronucl_T1_list.Entry_ID 50421 _Heteronucl_T1_list.ID 3 _Heteronucl_T1_list.Name 'Backbone R1 - pH 2.8' _Heteronucl_T1_list.Sample_condition_list_ID 3 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_3 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details 'The relaxation data are R1 values.' _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 6 'T1/R1 relaxation' . . . 50421 3 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 3 $software_3 . . 50421 3 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 ASP N N 15 0.893 0.012 . . . . . 50421 3 2 . 1 1 3 3 ALA N N 15 1.010 0.004 . . . . . 50421 3 3 . 1 1 4 4 GLN N N 15 1.142 0.007 . . . . . 50421 3 4 . 1 1 5 5 LYS N N 15 1.265 0.013 . . . . . 50421 3 5 . 1 1 6 6 ALA N N 15 1.299 0.016 . . . . . 50421 3 6 . 1 1 7 7 ALA N N 15 1.303 0.009 . . . . . 50421 3 7 . 1 1 8 8 ASP N N 15 1.369 0.012 . . . . . 50421 3 8 . 1 1 9 9 ASN N N 15 1.390 0.016 . . . . . 50421 3 9 . 1 1 10 10 LYS N N 15 1.320 0.020 . . . . . 50421 3 10 . 1 1 11 11 LYS N N 15 1.287 0.012 . . . . . 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 1.320 0.040 . . . . . 50421 3 13 . 1 1 14 14 ASN N N 15 1.530 0.030 . . . . . 50421 3 14 . 1 1 15 15 SER N N 15 1.460 0.030 . . . . . 50421 3 15 . 1 1 16 16 TRP N N 15 1.330 0.030 . . . . . 50421 3 16 . 1 1 16 16 TRP NE1 N 15 1.270 0.030 . . . . . 50421 3 17 . 1 1 17 17 THR N N 15 1.460 0.060 . . . . . 50421 3 18 . 1 1 18 18 CYS N N 15 1.370 0.030 . . . . . 50421 3 19 . 1 1 19 19 GLU N N 15 1.314 0.024 . . . . . 50421 3 20 . 1 1 20 20 ASP N N 15 1.315 0.016 . . . . . 50421 3 21 . 1 1 21 21 PHE N N 15 1.250 0.050 . . . . . 50421 3 22 . 1 1 22 22 LEU N N 15 1.270 0.030 . . . . . 50421 3 23 . 1 1 23 23 ALA N N 15 1.260 0.030 . . . . . 50421 3 24 . 1 1 24 24 VAL N N 15 1.160 0.030 . . . . . 50421 3 25 . 1 1 25 25 ASP N N 15 1.126 0.012 . . . . . 50421 3 26 . 1 1 26 26 GLU N N 15 1.120 0.015 . . . . . 50421 3 27 . 1 1 27 27 SER N N 15 1.249 0.019 . . . . . 50421 3 28 . 1 1 28 28 PHE N N 15 1.176 0.022 . . . . . 50421 3 29 . 1 1 29 29 GLN N N 15 1.240 0.030 . . . . . 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 1.350 0.040 . . . . . 50421 3 32 . 1 1 32 32 ALA N N 15 1.390 0.030 . . . . . 50421 3 33 . 1 1 33 33 VAL N N 15 1.090 0.040 . . . . . 50421 3 34 . 1 1 34 34 GLY N N 15 1.330 0.030 . . . . . 50421 3 35 . 1 1 35 35 PHE N N 15 1.430 0.030 . . . . . 50421 3 36 . 1 1 36 36 ALA N N 15 1.380 0.030 . . . . . 50421 3 37 . 1 1 37 37 GLU N N 15 1.213 0.021 . . . . . 50421 3 38 . 1 1 38 38 ALA N N 15 1.356 0.017 . . . . . 50421 3 39 . 1 1 39 39 LEU N N 15 1.240 0.030 . . . . . 50421 3 40 . 1 1 40 40 ASN N N 15 1.240 0.030 . . . . . 50421 3 41 . 1 1 41 41 ASN N N 15 1.330 0.030 . . . . . 50421 3 42 . 1 1 42 42 LYS N N 15 1.302 0.025 . . . . . 50421 3 43 . 1 1 43 43 ASP N N 15 1.232 0.010 . . . . . 50421 3 44 . 1 1 44 44 LYS N N 15 1.170 0.030 . . . . . 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 1.204 0.018 . . . . . 50421 3 47 . 1 1 47 47 ASP N N 15 1.257 0.013 . . . . . 50421 3 48 . 1 1 48 48 ALA N N 15 1.314 0.025 . . . . . 50421 3 49 . 1 1 49 49 VAL N N 15 1.180 0.030 . . . . . 50421 3 50 . 1 1 50 50 LEU N N 15 1.340 0.060 . . . . . 50421 3 51 . 1 1 51 51 ASP N N 15 1.180 0.040 . . . . . 50421 3 52 . 1 1 52 52 VAL N N 15 1.094 0.020 . . . . . 50421 3 53 . 1 1 53 53 GLN N N 15 1.121 0.012 . . . . . 50421 3 54 . 1 1 54 54 GLY N N 15 1.241 0.025 . . . . . 50421 3 55 . 1 1 55 55 ILE N N 15 1.200 0.030 . . . . . 50421 3 56 . 1 1 56 56 ALA N N 15 1.270 0.030 . . . . . 50421 3 57 . 1 1 57 57 THR N N 15 1.308 0.025 . . . . . 50421 3 58 . 1 1 58 58 VAL N N 15 1.330 0.060 . . . . . 50421 3 59 . 1 1 59 59 THR N N 15 1.300 0.030 . . . . . 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 1.169 0.020 . . . . . 50421 3 62 . 1 1 62 62 ILE N N 15 1.180 0.030 . . . . . 50421 3 63 . 1 1 63 63 VAL N N 15 1.180 0.030 . . . . . 50421 3 64 . 1 1 64 64 GLN N N 15 1.210 0.040 . . . . . 50421 3 65 . 1 1 65 65 ALA N N 15 1.210 0.030 . . . . . 50421 3 66 . 1 1 66 66 CYS N N 15 1.226 0.021 . . . . . 50421 3 67 . 1 1 67 67 THR N N 15 1.380 0.030 . . . . . 50421 3 68 . 1 1 68 68 GLN N N 15 1.255 0.025 . . . . . 50421 3 69 . 1 1 69 69 ASP N N 15 1.130 0.012 . . . . . 50421 3 70 . 1 1 70 70 LYS N N 15 1.163 0.017 . . . . . 50421 3 71 . 1 1 71 71 GLN N N 15 1.170 0.019 . . . . . 50421 3 72 . 1 1 72 72 ALA N N 15 1.326 0.016 . . . . . 50421 3 73 . 1 1 73 73 ASN N N 15 1.138 0.018 . . . . . 50421 3 74 . 1 1 74 74 PHE N N 15 1.430 0.040 . . . . . 50421 3 75 . 1 1 75 75 LYS N N 15 1.490 0.040 . . . . . 50421 3 76 . 1 1 76 76 ASP N N 15 1.297 0.020 . . . . . 50421 3 77 . 1 1 77 77 LYS N N 15 1.207 0.020 . . . . . 50421 3 78 . 1 1 78 78 VAL N N 15 1.180 0.040 . . . . . 50421 3 79 . 1 1 79 79 LYS N N 15 1.220 0.030 . . . . . 50421 3 80 . 1 1 80 80 GLY N N 15 1.240 0.030 . . . . . 50421 3 81 . 1 1 81 81 GLU N N 15 1.230 0.021 . . . . . 50421 3 82 . 1 1 82 82 TRP N N 15 1.192 0.025 . . . . . 50421 3 83 . 1 1 82 82 TRP NE1 N 15 1.205 0.015 . . . . . 50421 3 84 . 1 1 83 83 ASP N N 15 1.174 0.020 . . . . . 50421 3 85 . 1 1 84 84 LYS N N 15 1.217 0.019 . . . . . 50421 3 86 . 1 1 85 85 ILE N N 15 1.271 0.020 . . . . . 50421 3 87 . 1 1 86 86 LYS N N 15 1.368 0.017 . . . . . 50421 3 88 . 1 1 87 87 LYS N N 15 1.411 0.012 . . . . . 50421 3 89 . 1 1 88 88 ASP N N 15 1.390 0.009 . . . . . 50421 3 90 . 1 1 89 89 MET N N 15 1.259 0.009 . . . . . 50421 3 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_4 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_4 _Heteronucl_T1_list.Entry_ID 50421 _Heteronucl_T1_list.ID 4 _Heteronucl_T1_list.Name 'Side chain methyl R1 - pH 2.6' _Heteronucl_T1_list.Sample_condition_list_ID 2 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details 'The relaxation data are R1 values.' _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 23 'T1/R1 relaxation' . . . 50421 4 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 3 $software_3 . . 50421 4 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 13 13 VAL CG1 C 13 5.69 0.20 . . . . . 50421 4 2 . 1 1 13 13 VAL CG2 C 13 3.41 0.19 . . . . . 50421 4 3 . 1 1 22 22 LEU CD1 C 13 3.20 0.30 . . . . . 50421 4 4 . 1 1 22 22 LEU CD2 C 13 3.88 0.22 . . . . . 50421 4 5 . 1 1 24 24 VAL CG1 C 13 9.30 0.40 . . . . . 50421 4 6 . 1 1 24 24 VAL CG2 C 13 4.01 0.12 . . . . . 50421 4 7 . 1 1 33 33 VAL CG1 C 13 4.49 0.20 . . . . . 50421 4 8 . 1 1 33 33 VAL CG2 C 13 3.98 0.13 . . . . . 50421 4 9 . 1 1 39 39 LEU CD1 C 13 4.54 0.20 . . . . . 50421 4 10 . 1 1 39 39 LEU CD2 C 13 4.84 0.16 . . . . . 50421 4 11 . 1 1 49 49 VAL CG1 C 13 5.05 0.24 . . . . . 50421 4 12 . 1 1 49 49 VAL CG2 C 13 4.20 0.30 . . . . . 50421 4 13 . 1 1 50 50 LEU CD1 C 13 2.86 0.18 . . . . . 50421 4 14 . 1 1 50 50 LEU CD2 C 13 5.50 0.40 . . . . . 50421 4 15 . 1 1 52 52 VAL CG1 C 13 5.04 0.25 . . . . . 50421 4 16 . 1 1 52 52 VAL CG2 C 13 4.43 0.24 . . . . . 50421 4 17 . 1 1 55 55 ILE CD1 C 13 1.62 0.15 . . . . . 50421 4 18 . 1 1 58 58 VAL CG1 C 13 4.67 0.21 . . . . . 50421 4 19 . 1 1 58 58 VAL CG2 C 13 3.90 0.30 . . . . . 50421 4 20 . 1 1 62 62 ILE CD1 C 13 4.29 0.18 . . . . . 50421 4 21 . 1 1 63 63 VAL CG1 C 13 5.20 0.30 . . . . . 50421 4 22 . 1 1 63 63 VAL CG2 C 13 4.65 0.14 . . . . . 50421 4 23 . 1 1 78 78 VAL CG1 C 13 3.80 0.40 . . . . . 50421 4 24 . 1 1 78 78 VAL CG2 C 13 1.94 0.19 . . . . . 50421 4 25 . 1 1 85 85 ILE CD1 C 13 2.46 0.22 . . . . . 50421 4 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_5 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_5 _Heteronucl_T1_list.Entry_ID 50421 _Heteronucl_T1_list.ID 5 _Heteronucl_T1_list.Name 'Side chain methyl R1 - pH 2.8' _Heteronucl_T1_list.Sample_condition_list_ID 3 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_3 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details 'The relaxation data are R1 values.' _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 25 'T1/R1 relaxation' . . . 50421 5 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 3 $software_3 . . 50421 5 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 13 13 VAL CG1 C 13 6.06 0.19 . . . . . 50421 5 2 . 1 1 13 13 VAL CG2 C 13 3.51 0.18 . . . . . 50421 5 3 . 1 1 22 22 LEU CD1 C 13 3.86 0.12 . . . . . 50421 5 4 . 1 1 22 22 LEU CD2 C 13 3.93 0.13 . . . . . 50421 5 5 . 1 1 24 24 VAL CG1 C 13 9.24 0.18 . . . . . 50421 5 6 . 1 1 24 24 VAL CG2 C 13 4.25 0.12 . . . . . 50421 5 7 . 1 1 33 33 VAL CG1 C 13 4.09 0.12 . . . . . 50421 5 8 . 1 1 33 33 VAL CG2 C 13 5.70 0.30 . . . . . 50421 5 9 . 1 1 39 39 LEU CD1 C 13 5.05 0.20 . . . . . 50421 5 10 . 1 1 39 39 LEU CD2 C 13 5.03 0.23 . . . . . 50421 5 11 . 1 1 49 49 VAL CG1 C 13 6.00 0.30 . . . . . 50421 5 12 . 1 1 49 49 VAL CG2 C 13 3.97 0.15 . . . . . 50421 5 13 . 1 1 50 50 LEU CD1 C 13 2.65 0.13 . . . . . 50421 5 14 . 1 1 50 50 LEU CD2 C 13 5.92 0.18 . . . . . 50421 5 15 . 1 1 52 52 VAL CG1 C 13 5.31 0.22 . . . . . 50421 5 16 . 1 1 52 52 VAL CG2 C 13 4.75 0.25 . . . . . 50421 5 17 . 1 1 55 55 ILE CD1 C 13 2.55 0.20 . . . . . 50421 5 18 . 1 1 58 58 VAL CG1 C 13 4.14 0.16 . . . . . 50421 5 19 . 1 1 58 58 VAL CG2 C 13 3.83 0.18 . . . . . 50421 5 20 . 1 1 62 62 ILE CD1 C 13 4.38 0.16 . . . . . 50421 5 21 . 1 1 63 63 VAL CG1 C 13 4.63 0.17 . . . . . 50421 5 22 . 1 1 63 63 VAL CG2 C 13 4.66 0.14 . . . . . 50421 5 23 . 1 1 78 78 VAL CG1 C 13 4.63 0.13 . . . . . 50421 5 24 . 1 1 78 78 VAL CG2 C 13 2.14 0.13 . . . . . 50421 5 25 . 1 1 85 85 ILE CD1 C 13 2.40 0.21 . . . . . 50421 5 stop_ save_