######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_600 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_600 _Heteronucl_T2_list.Entry_ID 27447 _Heteronucl_T2_list.ID 1 _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 s-1 _Heteronucl_T2_list.Details ; N15_CPMG_Rex_NH_trosy_antitrosy_lek_600_v4. Residues 12, 18, 19, 29, 40, 41, 51, 61, 86, 92, 134, 135, 137, and 141 should be excluded or used with caution due to resonance overlap. ; _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 16 'pseudo 3D Trosy Constant Relaxation Time CPMG experiment for NH' . . . 27447 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 $SPARKY . . 27447 1 5 $Origin . . 27447 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 3 3 GLN N N 15 17.620 0.250 1.537 0.568 . . . . . 27447 1 2 . 1 1 4 4 LEU N N 15 15.679 0.217 0.645 0.492 . . . . . 27447 1 3 . 1 1 5 5 ALA N N 15 15.333 0.256 0.664 0.581 . . . . . 27447 1 4 . 1 1 6 6 LYS N N 15 17.101 0.322 0.643 0.730 . . . . . 27447 1 5 . 1 1 7 7 ASP N N 15 16.024 0.358 3.962 0.812 . . . . . 27447 1 6 . 1 1 8 8 ILE N N 15 14.576 0.227 1.099 0.514 . . . . . 27447 1 7 . 1 1 9 9 ASN N N 15 15.956 0.175 0.000 0.397 . . . . . 27447 1 8 . 1 1 10 10 ALA N N 15 14.931 0.297 0.000 0.673 . . . . . 27447 1 9 . 1 1 11 11 PHE N N 15 14.860 0.188 0.000 0.427 . . . . . 27447 1 10 . 1 1 12 12 LEU N N 15 15.691 0.130 0.000 0.294 . . . . . 27447 1 11 . 1 1 13 13 ASN N N 15 15.624 0.252 1.073 0.571 . . . . . 27447 1 12 . 1 1 14 14 GLU N N 15 14.170 0.331 1.484 0.750 . . . . . 27447 1 13 . 1 1 15 15 VAL N N 15 15.376 0.586 0.000 1.328 . . . . . 27447 1 14 . 1 1 16 16 ILE N N 15 15.520 0.196 0.489 0.444 . . . . . 27447 1 15 . 1 1 17 17 LEU N N 15 14.904 0.232 0.675 0.525 . . . . . 27447 1 16 . 1 1 18 18 GLN N N 15 16.080 0.298 1.035 0.676 . . . . . 27447 1 17 . 1 1 19 19 ALA N N 15 10.852 0.233 3.455 0.527 . . . . . 27447 1 18 . 1 1 20 20 GLU N N 15 17.316 0.282 0.001 0.640 . . . . . 27447 1 19 . 1 1 21 21 ASN N N 15 12.160 0.185 2.537 0.419 . . . . . 27447 1 20 . 1 1 22 22 GLN N N 15 14.751 0.165 0.673 0.374 . . . . . 27447 1 21 . 1 1 23 23 HIS N N 15 21.775 0.483 3.839 1.094 . . . . . 27447 1 22 . 1 1 24 24 GLU N N 15 13.083 0.156 1.906 0.355 . . . . . 27447 1 23 . 1 1 25 25 ILE N N 15 10.490 0.103 0.988 0.233 . . . . . 27447 1 24 . 1 1 26 26 LEU N N 15 9.644 0.142 1.303 0.323 . . . . . 27447 1 25 . 1 1 27 27 ILE N N 15 14.144 0.224 2.079 0.508 . . . . . 27447 1 26 . 1 1 28 28 GLY N N 15 12.807 0.066 1.038 0.150 . . . . . 27447 1 27 . 1 1 29 29 HIS N N 15 12.147 0.201 0.000 0.455 . . . . . 27447 1 28 . 1 1 30 30 CYS N N 15 10.406 0.144 3.209 0.326 . . . . . 27447 1 29 . 1 1 31 31 THR N N 15 16.094 0.281 2.259 0.638 . . . . . 27447 1 30 . 1 1 32 32 SER N N 15 13.674 0.244 3.789 0.553 . . . . . 27447 1 31 . 1 1 33 33 GLU N N 15 26.048 0.511 4.658 1.159 . . . . . 27447 1 32 . 1 1 34 34 VAL N N 15 14.750 0.175 2.093 0.397 . . . . . 27447 1 33 . 1 1 35 35 ALA N N 15 8.685 0.194 4.898 0.440 . . . . . 27447 1 34 . 1 1 36 36 LEU N N 15 12.274 0.221 2.852 0.502 . . . . . 27447 1 35 . 1 1 37 37 THR N N 15 11.597 0.172 2.142 0.390 . . . . . 27447 1 36 . 1 1 38 38 ASN N N 15 16.125 0.203 0.000 0.460 . . . . . 27447 1 37 . 1 1 39 39 THR N N 15 17.208 0.320 0.978 0.725 . . . . . 27447 1 38 . 1 1 40 40 GLN N N 15 16.751 0.179 0.000 0.407 . . . . . 27447 1 39 . 1 1 41 41 GLU N N 15 14.329 0.829 0.000 1.879 . . . . . 27447 1 40 . 1 1 42 42 HIS N N 15 15.464 0.283 0.000 0.642 . . . . . 27447 1 41 . 1 1 43 43 ILE N N 15 16.163 0.200 0.201 0.453 . . . . . 27447 1 42 . 1 1 44 44 LEU N N 15 15.570 0.159 0.000 0.361 . . . . . 27447 1 43 . 1 1 45 45 MET N N 15 15.853 0.265 0.945 0.601 . . . . . 27447 1 44 . 1 1 46 46 LEU N N 15 15.557 0.217 0.000 0.493 . . . . . 27447 1 45 . 1 1 47 47 LEU N N 15 16.564 0.275 0.000 0.623 . . . . . 27447 1 46 . 1 1 48 48 SER N N 15 17.837 0.294 0.000 0.667 . . . . . 27447 1 47 . 1 1 49 49 GLU N N 15 14.885 0.239 0.434 0.541 . . . . . 27447 1 48 . 1 1 50 50 GLU N N 15 14.397 0.265 0.000 0.602 . . . . . 27447 1 49 . 1 1 51 51 SER N N 15 10.066 0.055 0.043 0.126 . . . . . 27447 1 50 . 1 1 52 52 LEU N N 15 7.143 0.076 2.063 0.173 . . . . . 27447 1 51 . 1 1 53 53 THR N N 15 11.228 0.199 2.654 0.451 . . . . . 27447 1 52 . 1 1 54 54 ASN N N 15 14.109 0.154 0.651 0.348 . . . . . 27447 1 53 . 1 1 55 55 SER N N 15 17.280 0.159 0.000 0.360 . . . . . 27447 1 54 . 1 1 56 56 GLU N N 15 16.479 0.244 0.785 0.554 . . . . . 27447 1 55 . 1 1 57 57 LEU N N 15 15.033 0.219 0.136 0.497 . . . . . 27447 1 56 . 1 1 58 58 ALA N N 15 14.847 0.168 0.000 0.381 . . . . . 27447 1 57 . 1 1 59 59 ARG N N 15 14.870 0.176 0.000 0.398 . . . . . 27447 1 58 . 1 1 60 60 ARG N N 15 15.441 0.232 0.632 0.526 . . . . . 27447 1 59 . 1 1 61 61 LEU N N 15 16.094 0.355 0.000 0.804 . . . . . 27447 1 60 . 1 1 62 62 ASN N N 15 13.184 0.208 0.881 0.473 . . . . . 27447 1 61 . 1 1 63 63 VAL N N 15 13.686 0.169 2.624 0.383 . . . . . 27447 1 62 . 1 1 64 64 SER N N 15 11.700 0.099 1.929 0.225 . . . . . 27447 1 63 . 1 1 65 65 GLN N N 15 13.102 0.106 2.032 0.239 . . . . . 27447 1 64 . 1 1 66 66 ALA N N 15 20.857 0.602 0.000 1.364 . . . . . 27447 1 65 . 1 1 67 67 ALA N N 15 16.278 0.185 0.000 0.419 . . . . . 27447 1 66 . 1 1 68 68 VAL N N 15 14.668 0.231 0.000 0.523 . . . . . 27447 1 67 . 1 1 69 69 THR N N 15 14.912 0.265 0.000 0.600 . . . . . 27447 1 68 . 1 1 70 70 LYS N N 15 14.096 0.241 0.356 0.547 . . . . . 27447 1 69 . 1 1 71 71 ALA N N 15 14.510 0.187 0.000 0.425 . . . . . 27447 1 70 . 1 1 72 72 ILE N N 15 14.515 0.167 0.683 0.379 . . . . . 27447 1 71 . 1 1 73 73 LYS N N 15 14.675 0.198 0.381 0.450 . . . . . 27447 1 72 . 1 1 74 74 SER N N 15 14.871 0.231 0.640 0.524 . . . . . 27447 1 73 . 1 1 75 75 LEU N N 15 15.829 0.194 0.639 0.441 . . . . . 27447 1 74 . 1 1 76 76 VAL N N 15 14.401 0.250 0.985 0.567 . . . . . 27447 1 75 . 1 1 77 77 LYS N N 15 15.122 0.227 1.042 0.514 . . . . . 27447 1 76 . 1 1 78 78 GLU N N 15 15.317 0.211 0.000 0.478 . . . . . 27447 1 77 . 1 1 79 79 GLY N N 15 14.522 0.310 1.623 0.703 . . . . . 27447 1 78 . 1 1 80 80 MET N N 15 16.323 0.390 0.000 0.884 . . . . . 27447 1 79 . 1 1 81 81 LEU N N 15 13.107 0.396 1.618 0.899 . . . . . 27447 1 80 . 1 1 82 82 GLU N N 15 12.973 0.094 0.000 0.213 . . . . . 27447 1 81 . 1 1 83 83 THR N N 15 10.364 0.110 1.503 0.250 . . . . . 27447 1 82 . 1 1 84 84 SER N N 15 11.338 0.069 0.074 0.156 . . . . . 27447 1 83 . 1 1 85 85 LYS N N 15 7.032 0.078 1.870 0.177 . . . . . 27447 1 84 . 1 1 86 86 ASP N N 15 7.399 0.040 2.271 0.091 . . . . . 27447 1 85 . 1 1 87 87 SER N N 15 8.126 0.066 0.000 0.149 . . . . . 27447 1 86 . 1 1 88 88 LYS N N 15 8.280 0.108 2.357 0.246 . . . . . 27447 1 87 . 1 1 89 89 ASP N N 15 6.442 0.049 1.517 0.111 . . . . . 27447 1 88 . 1 1 90 90 ALA N N 15 7.049 0.043 0.515 0.097 . . . . . 27447 1 89 . 1 1 91 91 ARG N N 15 9.633 0.071 1.452 0.160 . . . . . 27447 1 90 . 1 1 92 92 VAL N N 15 8.201 0.417 0.000 0.945 . . . . . 27447 1 91 . 1 1 93 93 ILE N N 15 6.733 0.078 1.526 0.176 . . . . . 27447 1 92 . 1 1 94 94 PHE N N 15 9.216 0.109 1.209 0.247 . . . . . 27447 1 93 . 1 1 95 95 TYR N N 15 10.846 0.120 0.000 0.271 . . . . . 27447 1 94 . 1 1 96 96 GLN N N 15 12.100 0.117 1.685 0.266 . . . . . 27447 1 95 . 1 1 97 97 LEU N N 15 10.664 0.120 0.794 0.272 . . . . . 27447 1 96 . 1 1 98 98 THR N N 15 12.879 0.208 2.337 0.471 . . . . . 27447 1 97 . 1 1 99 99 ASP N N 15 13.386 0.095 0.029 0.216 . . . . . 27447 1 98 . 1 1 100 100 LEU N N 15 14.674 0.199 0.000 0.452 . . . . . 27447 1 99 . 1 1 101 101 ALA N N 15 16.143 0.162 0.000 0.367 . . . . . 27447 1 100 . 1 1 102 102 ARG N N 15 14.391 0.201 0.081 0.456 . . . . . 27447 1 101 . 1 1 104 104 ILE N N 15 14.485 0.258 0.000 0.585 . . . . . 27447 1 102 . 1 1 105 105 ALA N N 15 16.448 0.394 0.412 0.893 . . . . . 27447 1 103 . 1 1 106 106 GLU N N 15 15.427 0.239 1.481 0.543 . . . . . 27447 1 104 . 1 1 107 107 GLU N N 15 14.551 0.193 0.524 0.438 . . . . . 27447 1 105 . 1 1 108 108 HIS N N 15 15.456 0.268 0.910 0.607 . . . . . 27447 1 106 . 1 1 109 109 HIS N N 15 14.613 0.161 1.346 0.365 . . . . . 27447 1 107 . 1 1 110 110 HIS N N 15 14.902 0.355 1.500 0.806 . . . . . 27447 1 108 . 1 1 111 111 HIS N N 15 16.963 0.426 4.738 0.966 . . . . . 27447 1 109 . 1 1 112 112 HIS N N 15 15.121 0.225 2.355 0.509 . . . . . 27447 1 110 . 1 1 113 113 GLU N N 15 15.663 0.404 0.000 0.916 . . . . . 27447 1 111 . 1 1 114 114 HIS N N 15 15.854 0.338 0.644 0.766 . . . . . 27447 1 112 . 1 1 115 115 THR N N 15 19.635 0.679 0.000 1.540 . . . . . 27447 1 113 . 1 1 116 116 LEU N N 15 15.159 0.276 0.253 0.626 . . . . . 27447 1 114 . 1 1 117 117 LEU N N 15 16.402 0.302 0.434 0.684 . . . . . 27447 1 115 . 1 1 118 118 THR N N 15 20.138 0.530 0.393 1.201 . . . . . 27447 1 116 . 1 1 119 119 TYR N N 15 15.313 0.225 0.314 0.509 . . . . . 27447 1 117 . 1 1 120 120 GLU N N 15 15.918 0.231 0.882 0.524 . . . . . 27447 1 118 . 1 1 121 121 GLN N N 15 14.300 0.204 0.541 0.462 . . . . . 27447 1 119 . 1 1 122 122 VAL N N 15 14.610 0.420 0.000 0.953 . . . . . 27447 1 120 . 1 1 123 123 ALA N N 15 15.286 0.249 1.082 0.564 . . . . . 27447 1 121 . 1 1 124 124 THR N N 15 20.496 0.887 0.396 2.010 . . . . . 27447 1 122 . 1 1 125 125 GLN N N 15 15.272 0.139 0.429 0.316 . . . . . 27447 1 123 . 1 1 126 126 PHE N N 15 14.632 0.298 0.008 0.676 . . . . . 27447 1 124 . 1 1 129 129 ASN N N 15 19.825 0.274 0.543 0.622 . . . . . 27447 1 125 . 1 1 130 130 GLU N N 15 16.818 0.360 0.908 0.817 . . . . . 27447 1 126 . 1 1 131 131 GLN N N 15 17.259 0.301 0.000 0.682 . . . . . 27447 1 127 . 1 1 132 132 LYS N N 15 15.349 0.294 0.000 0.666 . . . . . 27447 1 128 . 1 1 133 133 VAL N N 15 15.785 0.265 0.000 0.601 . . . . . 27447 1 129 . 1 1 134 134 ILE N N 15 15.258 0.441 0.000 1.001 . . . . . 27447 1 130 . 1 1 135 135 GLN N N 15 15.700 0.650 0.000 1.473 . . . . . 27447 1 131 . 1 1 136 136 ARG N N 15 14.573 0.208 0.000 0.471 . . . . . 27447 1 132 . 1 1 137 137 PHE N N 15 11.064 0.115 1.364 0.261 . . . . . 27447 1 133 . 1 1 138 138 LEU N N 15 14.929 0.268 0.000 0.609 . . . . . 27447 1 134 . 1 1 139 139 THR N N 15 18.206 0.303 0.000 0.686 . . . . . 27447 1 135 . 1 1 140 140 ALA N N 15 13.356 0.257 1.438 0.583 . . . . . 27447 1 136 . 1 1 141 141 LEU N N 15 11.939 0.071 0.417 0.160 . . . . . 27447 1 137 . 1 1 142 142 VAL N N 15 17.272 0.433 0.000 0.981 . . . . . 27447 1 138 . 1 1 143 143 GLY N N 15 15.100 0.375 1.651 0.851 . . . . . 27447 1 139 . 1 1 144 144 GLU N N 15 15.341 0.374 0.000 0.847 . . . . . 27447 1 140 . 1 1 145 145 ILE N N 15 15.849 0.387 0.158 0.877 . . . . . 27447 1 141 . 1 1 146 146 LYS N N 15 7.820 0.053 2.188 0.121 . . . . . 27447 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_methyl_R2_600 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode methyl_R2_600 _Heteronucl_T2_list.Entry_ID 27447 _Heteronucl_T2_list.ID 2 _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 s-1 _Heteronucl_T2_list.Details ; Slow-timescale methyl dynamics recorded using the latest version of the experiments by Korzhnev, Kay, et al. (J.Am.Chem.Soc. 126, 3964). The following methyls should be excluded or used with caution due to resonance overlap: CD2 of residues 12, 75, 81, 117, and 141 CD1 of residues 17, 57, 75, 97, and 117. ; _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 11 '2D 1H-13C CPMG HMQC relaxation dispersion' . . . 27447 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 $SPARKY . . 27447 2 5 $Origin . . 27447 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 1 1 MET CE C 13 6.9619 0.1306 0.0000 0.2864 . . . . . 27447 2 2 . 1 1 4 4 LEU CD1 C 13 12.4349 0.1267 0.0000 0.2779 . . . . . 27447 2 3 . 1 1 4 4 LEU CD2 C 13 15.8342 0.2167 0.0000 0.4752 . . . . . 27447 2 4 . 1 1 5 5 ALA CB C 13 14.9826 0.1352 0.0000 0.2965 . . . . . 27447 2 5 . 1 1 8 8 ILE CD1 C 13 13.8782 0.2961 0.0000 0.6493 . . . . . 27447 2 6 . 1 1 10 10 ALA CB C 13 23.5472 0.2185 0.0000 0.4792 . . . . . 27447 2 7 . 1 1 12 12 LEU CD1 C 13 16.4177 0.2883 0.0000 0.6323 . . . . . 27447 2 8 . 1 1 12 12 LEU CD2 C 13 15.5885 0.1994 0.0000 0.4373 . . . . . 27447 2 9 . 1 1 15 15 VAL CG1 C 13 18.2136 0.3484 0.0000 0.7640 . . . . . 27447 2 10 . 1 1 15 15 VAL CG2 C 13 13.8357 0.2546 0.0000 0.5583 . . . . . 27447 2 11 . 1 1 16 16 ILE CD1 C 13 13.8033 0.2518 0.1512 0.5523 . . . . . 27447 2 12 . 1 1 17 17 LEU CD1 C 13 6.5181 0.3202 0.0000 0.7022 . . . . . 27447 2 13 . 1 1 17 17 LEU CD2 C 13 7.2196 0.1476 0.0000 0.3237 . . . . . 27447 2 14 . 1 1 19 19 ALA CB C 13 15.6010 0.0840 0.8043 0.1842 . . . . . 27447 2 15 . 1 1 25 25 ILE CD1 C 13 16.5050 0.1243 1.0419 0.2726 . . . . . 27447 2 16 . 1 1 26 26 LEU CD1 C 13 12.7471 0.3512 0.0000 0.7703 . . . . . 27447 2 17 . 1 1 26 26 LEU CD2 C 13 12.1489 0.1625 0.0000 0.3563 . . . . . 27447 2 18 . 1 1 27 27 ILE CD1 C 13 10.6937 0.3250 1.2073 0.7127 . . . . . 27447 2 19 . 1 1 34 34 VAL CG1 C 13 11.9516 0.1305 0.8101 0.2862 . . . . . 27447 2 20 . 1 1 34 34 VAL CG2 C 13 11.5196 0.0811 0.5364 0.1778 . . . . . 27447 2 21 . 1 1 35 35 ALA CB C 13 8.5412 0.0618 0.0000 0.1355 . . . . . 27447 2 22 . 1 1 36 36 LEU CD1 C 13 22.4372 0.3257 0.0000 0.7142 . . . . . 27447 2 23 . 1 1 36 36 LEU CD2 C 13 13.9195 0.1440 0.0000 0.3159 . . . . . 27447 2 24 . 1 1 43 43 ILE CD1 C 13 17.6117 0.1122 0.0000 0.2461 . . . . . 27447 2 25 . 1 1 44 44 LEU CD1 C 13 21.8220 0.3173 1.0292 0.6958 . . . . . 27447 2 26 . 1 1 44 44 LEU CD2 C 13 24.7068 0.3107 1.6308 0.6814 . . . . . 27447 2 27 . 1 1 45 45 MET CE C 13 19.8564 0.1975 0.0000 0.4331 . . . . . 27447 2 28 . 1 1 46 46 LEU CD1 C 13 18.1064 0.1276 0.0000 0.2797 . . . . . 27447 2 29 . 1 1 46 46 LEU CD2 C 13 12.2937 0.1027 0.4965 0.2253 . . . . . 27447 2 30 . 1 1 47 47 LEU CD1 C 13 21.0071 0.2154 0.1215 0.4724 . . . . . 27447 2 31 . 1 1 47 47 LEU CD2 C 13 14.8438 0.1489 0.0000 0.3265 . . . . . 27447 2 32 . 1 1 52 52 LEU CD1 C 13 15.1423 0.1835 0.0000 0.4025 . . . . . 27447 2 33 . 1 1 52 52 LEU CD2 C 13 8.3180 0.1071 0.3808 0.2348 . . . . . 27447 2 34 . 1 1 57 57 LEU CD1 C 13 13.9535 0.1622 2.6176 0.3557 . . . . . 27447 2 35 . 1 1 57 57 LEU CD2 C 13 15.5822 0.1485 1.1224 0.3257 . . . . . 27447 2 36 . 1 1 58 58 ALA CB C 13 10.4750 0.1741 0.0000 0.3817 . . . . . 27447 2 37 . 1 1 61 61 LEU CD1 C 13 13.2101 0.0995 1.1655 0.2182 . . . . . 27447 2 38 . 1 1 61 61 LEU CD2 C 13 11.8344 0.1110 0.0468 0.2434 . . . . . 27447 2 39 . 1 1 63 63 VAL CG1 C 13 13.0841 0.1618 0.0000 0.3548 . . . . . 27447 2 40 . 1 1 63 63 VAL CG2 C 13 16.6274 0.1186 0.3607 0.2602 . . . . . 27447 2 41 . 1 1 66 66 ALA CB C 13 8.7181 0.2119 0.0000 0.4647 . . . . . 27447 2 42 . 1 1 67 67 ALA CB C 13 12.3977 0.2115 0.0000 0.4638 . . . . . 27447 2 43 . 1 1 68 68 VAL CG1 C 13 16.1958 0.1491 0.0000 0.3270 . . . . . 27447 2 44 . 1 1 68 68 VAL CG2 C 13 16.1852 0.1649 0.2869 0.3617 . . . . . 27447 2 45 . 1 1 71 71 ALA CB C 13 16.4111 0.1232 0.0000 0.2702 . . . . . 27447 2 46 . 1 1 72 72 ILE CD1 C 13 14.4297 0.0703 0.0000 0.1542 . . . . . 27447 2 47 . 1 1 75 75 LEU CD1 C 13 18.9691 0.1766 0.4137 0.3873 . . . . . 27447 2 48 . 1 1 75 75 LEU CD2 C 13 7.7167 0.2503 0.0000 0.5490 . . . . . 27447 2 49 . 1 1 76 76 VAL CG1 C 13 8.8568 0.1037 0.0000 0.2274 . . . . . 27447 2 50 . 1 1 76 76 VAL CG2 C 13 11.4735 0.2496 0.0000 0.5474 . . . . . 27447 2 51 . 1 1 80 80 MET CE C 13 17.8305 0.1016 0.0000 0.2229 . . . . . 27447 2 52 . 1 1 81 81 LEU CD1 C 13 18.5909 0.1535 1.0279 0.3366 . . . . . 27447 2 53 . 1 1 81 81 LEU CD2 C 13 16.6103 0.1514 0.0000 0.3319 . . . . . 27447 2 54 . 1 1 90 90 ALA CB C 13 6.4980 0.0600 0.0000 0.1316 . . . . . 27447 2 55 . 1 1 92 92 VAL CG1 C 13 7.2714 0.0633 0.2599 0.1389 . . . . . 27447 2 56 . 1 1 92 92 VAL CG2 C 13 6.7170 0.0550 0.1837 0.1207 . . . . . 27447 2 57 . 1 1 93 93 ILE CD1 C 13 5.7949 0.0848 0.0000 0.1860 . . . . . 27447 2 58 . 1 1 97 97 LEU CD1 C 13 15.3046 0.2457 0.0000 0.5390 . . . . . 27447 2 59 . 1 1 97 97 LEU CD2 C 13 15.7715 0.1701 1.0776 0.3730 . . . . . 27447 2 60 . 1 1 100 100 LEU CD1 C 13 7.0754 0.1221 0.0000 0.2679 . . . . . 27447 2 61 . 1 1 100 100 LEU CD2 C 13 10.5269 0.1184 0.0000 0.2597 . . . . . 27447 2 62 . 1 1 101 101 ALA CB C 13 30.5556 0.5810 0.8842 1.2741 . . . . . 27447 2 63 . 1 1 104 104 ILE CD1 C 13 13.8183 0.2215 0.7201 0.4857 . . . . . 27447 2 64 . 1 1 105 105 ALA CB C 13 7.6864 0.1365 0.0000 0.2993 . . . . . 27447 2 65 . 1 1 116 116 LEU CD1 C 13 9.5874 0.2122 0.0000 0.4654 . . . . . 27447 2 66 . 1 1 116 116 LEU CD2 C 13 9.6924 0.1326 0.0000 0.2908 . . . . . 27447 2 67 . 1 1 117 117 LEU CD1 C 13 7.5635 0.0688 1.0559 0.1509 . . . . . 27447 2 68 . 1 1 117 117 LEU CD2 C 13 10.6176 0.2886 0.0000 0.6329 . . . . . 27447 2 69 . 1 1 122 122 VAL CG1 C 13 14.4771 0.1792 0.0000 0.3931 . . . . . 27447 2 70 . 1 1 122 122 VAL CG2 C 13 11.6218 0.2128 0.0000 0.4666 . . . . . 27447 2 71 . 1 1 123 123 ALA CB C 13 9.8077 0.1320 0.0000 0.2894 . . . . . 27447 2 72 . 1 1 133 133 VAL CG1 C 13 15.3429 0.2166 0.0000 0.4751 . . . . . 27447 2 73 . 1 1 133 133 VAL CG2 C 13 7.3957 0.1609 0.0000 0.3529 . . . . . 27447 2 74 . 1 1 134 134 ILE CD1 C 13 13.7280 0.3167 0.0000 0.6946 . . . . . 27447 2 75 . 1 1 138 138 LEU CD1 C 13 15.2912 0.1334 0.0000 0.2926 . . . . . 27447 2 76 . 1 1 138 138 LEU CD2 C 13 13.1791 0.1526 0.0000 0.3347 . . . . . 27447 2 77 . 1 1 140 140 ALA CB C 13 5.0425 0.1156 0.0000 0.2534 . . . . . 27447 2 78 . 1 1 141 141 LEU CD1 C 13 11.5511 0.2254 0.0000 0.4944 . . . . . 27447 2 79 . 1 1 141 141 LEU CD2 C 13 16.3299 0.2697 0.0000 0.5915 . . . . . 27447 2 80 . 1 1 142 142 VAL CG1 C 13 9.7077 0.0723 0.4112 0.1586 . . . . . 27447 2 81 . 1 1 142 142 VAL CG2 C 13 10.5288 0.1205 0.0000 0.2642 . . . . . 27447 2 82 . 1 1 145 145 ILE CD1 C 13 12.6319 0.1584 0.0000 0.3473 . . . . . 27447 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_800 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_800 _Heteronucl_T2_list.Entry_ID 27447 _Heteronucl_T2_list.ID 3 _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 800 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units s-1 _Heteronucl_T2_list.Details ; N15_CPMG_Rex_NH_trosy_antitrosy_lek_600_v4 was used for obtaining Rex. The R2 values were measured directly, rather than fit along with Rex. Residues 12, 18, 19, 29, 40, 41, 51, 61, 86, 92, 134, 135, 137, and 141 should be excluded or used with caution due to resonance overlap. ; _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 16 'pseudo 3D Trosy Constant Relaxation Time CPMG experiment for NH' . . . 27447 3 18 'pseudo 3D TROSY T2' . . . 27447 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 1 $SPARKY . . 27447 3 5 $Origin . . 27447 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 3 3 GLN N N 15 0.0430 0.0011 1.6417 0.4908 . . . . . 27447 3 2 . 1 1 4 4 LEU N N 15 0.0307 0.0002 0.0000 0.5300 . . . . . 27447 3 3 . 1 1 5 5 ALA N N 15 0.0296 0.0007 0.0000 0.8949 . . . . . 27447 3 4 . 1 1 6 6 LYS N N 15 0.0350 0.0018 0.0780 0.6937 . . . . . 27447 3 5 . 1 1 7 7 ASP N N 15 0.0337 0.0005 1.7807 0.7472 . . . . . 27447 3 6 . 1 1 8 8 ILE N N 15 0.0332 0.0011 1.0576 0.5631 . . . . . 27447 3 7 . 1 1 9 9 ASN N N 15 0.0297 0.0008 0.4589 0.7178 . . . . . 27447 3 8 . 1 1 10 10 ALA N N 15 0.0308 0.0004 0.0000 0.5666 . . . . . 27447 3 9 . 1 1 11 11 PHE N N 15 0.0317 0.0005 0.0691 0.4403 . . . . . 27447 3 10 . 1 1 12 12 LEU N N 15 0.0317 0.0007 0.0000 0.4045 . . . . . 27447 3 11 . 1 1 13 13 ASN N N 15 0.0314 0.0007 0.0000 0.8036 . . . . . 27447 3 12 . 1 1 14 14 GLU N N 15 0.0308 0.0003 1.1213 0.8234 . . . . . 27447 3 13 . 1 1 15 15 VAL N N 15 0.0294 0.0005 1.2652 0.6813 . . . . . 27447 3 14 . 1 1 16 16 ILE N N 15 0.0299 0.0004 0.6063 0.5443 . . . . . 27447 3 15 . 1 1 17 17 LEU N N 15 0.0305 0.0010 0.0000 0.6895 . . . . . 27447 3 16 . 1 1 18 18 GLN N N 15 0.0341 0.0003 0.4216 0.5768 . . . . . 27447 3 17 . 1 1 19 19 ALA N N 15 0.0387 0.0003 0.9136 0.6751 . . . . . 27447 3 18 . 1 1 20 20 GLU N N 15 0.0291 0.0009 2.3357 0.5667 . . . . . 27447 3 19 . 1 1 21 21 ASN N N 15 0.0426 0.0004 0.0000 0.5395 . . . . . 27447 3 20 . 1 1 22 22 GLN N N 15 0.0353 0.0008 0.0000 0.5114 . . . . . 27447 3 21 . 1 1 23 23 HIS N N 15 0.0295 0.0007 2.8899 1.5313 . . . . . 27447 3 22 . 1 1 24 24 GLU N N 15 0.0341 0.0007 1.0943 0.5786 . . . . . 27447 3 23 . 1 1 25 25 ILE N N 15 0.0360 0.0004 1.6862 0.2098 . . . . . 27447 3 24 . 1 1 26 26 LEU N N 15 0.0336 0.0004 1.6835 0.3459 . . . . . 27447 3 25 . 1 1 27 27 ILE N N 15 0.0336 0.0002 1.5564 0.5447 . . . . . 27447 3 26 . 1 1 28 28 GLY N N 15 0.0317 0.0006 0.8671 0.2179 . . . . . 27447 3 27 . 1 1 29 29 HIS N N 15 0.0399 0.0007 0.0000 0.5330 . . . . . 27447 3 28 . 1 1 30 30 CYS N N 15 0.0340 0.0003 4.2435 0.4289 . . . . . 27447 3 29 . 1 1 31 31 THR N N 15 0.0303 0.0004 3.2712 0.7933 . . . . . 27447 3 30 . 1 1 32 32 SER N N 15 0.0320 0.0005 2.8915 0.6105 . . . . . 27447 3 31 . 1 1 33 33 GLU N N 15 0.0194 0.0009 0.5839 2.4015 . . . . . 27447 3 32 . 1 1 34 34 VAL N N 15 0.0317 0.0007 2.6676 0.3627 . . . . . 27447 3 33 . 1 1 35 35 ALA N N 15 0.0399 0.0010 1.3811 0.2310 . . . . . 27447 3 34 . 1 1 36 36 LEU N N 15 0.0380 0.0013 6.1061 0.4153 . . . . . 27447 3 35 . 1 1 37 37 THR N N 15 0.0344 0.0008 1.5085 0.3381 . . . . . 27447 3 36 . 1 1 38 38 ASN N N 15 0.0299 0.0002 0.9724 0.4367 . . . . . 27447 3 37 . 1 1 39 39 THR N N 15 0.0337 0.0003 1.6057 0.8289 . . . . . 27447 3 38 . 1 1 40 40 GLN N N 15 0.0306 0.0004 0.0000 0.5119 . . . . . 27447 3 39 . 1 1 41 41 GLU N N 15 0.0377 0.0010 0.0000 1.3819 . . . . . 27447 3 40 . 1 1 42 42 HIS N N 15 0.0283 0.0003 0.0000 0.6403 . . . . . 27447 3 41 . 1 1 43 43 ILE N N 15 0.0311 0.0006 0.0000 0.6319 . . . . . 27447 3 42 . 1 1 44 44 LEU N N 15 0.0314 0.0006 0.7922 0.4866 . . . . . 27447 3 43 . 1 1 45 45 MET N N 15 0.0313 0.0004 0.4561 0.4964 . . . . . 27447 3 44 . 1 1 46 46 LEU N N 15 0.0290 0.0004 0.0000 0.8792 . . . . . 27447 3 45 . 1 1 47 47 LEU N N 15 0.0317 0.0004 0.0000 0.6476 . . . . . 27447 3 46 . 1 1 48 48 SER N N 15 0.0295 0.0007 0.3366 0.5796 . . . . . 27447 3 47 . 1 1 49 49 GLU N N 15 0.0331 0.0003 0.0000 0.7844 . . . . . 27447 3 48 . 1 1 50 50 GLU N N 15 0.0380 0.0004 0.0000 0.4492 . . . . . 27447 3 49 . 1 1 51 51 SER N N 15 0.0416 0.0005 0.0000 0.2033 . . . . . 27447 3 50 . 1 1 52 52 LEU N N 15 0.0515 0.0005 2.2227 0.2100 . . . . . 27447 3 51 . 1 1 53 53 THR N N 15 0.0358 0.0005 0.5563 0.3478 . . . . . 27447 3 52 . 1 1 54 54 ASN N N 15 0.0330 0.0003 0.0000 0.3361 . . . . . 27447 3 53 . 1 1 55 55 SER N N 15 0.0319 0.0006 0.2647 0.5991 . . . . . 27447 3 54 . 1 1 56 56 GLU N N 15 0.0348 0.0013 0.0000 0.6802 . . . . . 27447 3 55 . 1 1 57 57 LEU N N 15 0.0325 0.0006 0.4720 0.4785 . . . . . 27447 3 56 . 1 1 58 58 ALA N N 15 0.0315 0.0004 0.0000 0.3588 . . . . . 27447 3 57 . 1 1 59 59 ARG N N 15 0.0339 0.0007 0.0000 0.4955 . . . . . 27447 3 58 . 1 1 60 60 ARG N N 15 0.0323 0.0003 0.0000 0.5471 . . . . . 27447 3 59 . 1 1 61 61 LEU N N 15 0.0325 0.0005 0.0000 0.4618 . . . . . 27447 3 60 . 1 1 62 62 ASN N N 15 0.0335 0.0003 0.4389 0.3268 . . . . . 27447 3 61 . 1 1 63 63 VAL N N 15 0.0314 0.0004 1.2399 0.3379 . . . . . 27447 3 62 . 1 1 64 64 SER N N 15 0.0373 0.0004 0.0000 0.2581 . . . . . 27447 3 63 . 1 1 65 65 GLN N N 15 0.0356 0.0003 0.3273 0.3708 . . . . . 27447 3 64 . 1 1 66 66 ALA N N 15 0.0353 0.0011 0.0000 1.2801 . . . . . 27447 3 65 . 1 1 67 67 ALA N N 15 0.0383 0.0007 0.7721 0.5367 . . . . . 27447 3 66 . 1 1 68 68 VAL N N 15 0.0345 0.0014 0.0000 0.5550 . . . . . 27447 3 67 . 1 1 69 69 THR N N 15 0.0337 0.0002 0.0000 0.4281 . . . . . 27447 3 68 . 1 1 70 70 LYS N N 15 0.0342 0.0005 0.0000 0.4610 . . . . . 27447 3 69 . 1 1 71 71 ALA N N 15 0.0364 0.0006 2.2063 0.4022 . . . . . 27447 3 70 . 1 1 72 72 ILE N N 15 0.0343 0.0004 0.0000 0.4362 . . . . . 27447 3 71 . 1 1 73 73 LYS N N 15 0.0306 0.0003 0.0000 0.3838 . . . . . 27447 3 72 . 1 1 74 74 SER N N 15 0.0353 0.0005 1.6502 0.6079 . . . . . 27447 3 73 . 1 1 75 75 LEU N N 15 0.0379 0.0004 1.0054 0.4543 . . . . . 27447 3 74 . 1 1 76 76 VAL N N 15 0.0325 0.0005 0.0000 0.4891 . . . . . 27447 3 75 . 1 1 77 77 LYS N N 15 0.0316 0.0002 0.1978 0.6553 . . . . . 27447 3 76 . 1 1 78 78 GLU N N 15 0.0395 0.0003 1.2069 0.5326 . . . . . 27447 3 77 . 1 1 79 79 GLY N N 15 0.0355 0.0003 0.0904 0.5522 . . . . . 27447 3 78 . 1 1 80 80 MET N N 15 0.0332 0.0005 0.0000 0.6349 . . . . . 27447 3 79 . 1 1 81 81 LEU N N 15 0.0352 0.0010 0.0000 0.3048 . . . . . 27447 3 80 . 1 1 82 82 GLU N N 15 0.0350 0.0006 0.0000 0.3650 . . . . . 27447 3 81 . 1 1 83 83 THR N N 15 0.0412 0.0001 2.7110 0.1576 . . . . . 27447 3 82 . 1 1 84 84 SER N N 15 0.0410 0.0003 1.5730 0.2081 . . . . . 27447 3 83 . 1 1 85 85 LYS N N 15 0.0615 0.0015 0.0000 0.2057 . . . . . 27447 3 84 . 1 1 86 86 ASP N N 15 0.0509 0.0025 2.9543 0.1548 . . . . . 27447 3 85 . 1 1 87 87 SER N N 15 0.0791 0.0006 0.0000 0.3606 . . . . . 27447 3 86 . 1 1 88 88 LYS N N 15 0.0815 0.0007 0.7540 0.1973 . . . . . 27447 3 87 . 1 1 89 89 ASP N N 15 0.0793 0.0003 0.0000 0.2384 . . . . . 27447 3 88 . 1 1 90 90 ALA N N 15 0.0691 0.0002 1.2396 0.1535 . . . . . 27447 3 89 . 1 1 91 91 ARG N N 15 0.0626 0.0005 0.1360 0.2363 . . . . . 27447 3 90 . 1 1 92 92 VAL N N 15 0.0532 0.0005 0.0000 0.4626 . . . . . 27447 3 91 . 1 1 93 93 ILE N N 15 0.0482 0.0007 0.7245 0.1512 . . . . . 27447 3 92 . 1 1 94 94 PHE N N 15 0.0422 0.0003 2.8393 0.2969 . . . . . 27447 3 93 . 1 1 95 95 TYR N N 15 0.0403 0.0005 0.0000 0.2610 . . . . . 27447 3 94 . 1 1 96 96 GLN N N 15 0.0365 0.0003 0.5600 0.2962 . . . . . 27447 3 95 . 1 1 97 97 LEU N N 15 0.0379 0.0016 0.7605 0.3089 . . . . . 27447 3 96 . 1 1 98 98 THR N N 15 0.0316 0.0002 0.0000 0.3158 . . . . . 27447 3 97 . 1 1 99 99 ASP N N 15 0.0334 0.0002 0.0677 0.2152 . . . . . 27447 3 98 . 1 1 100 100 LEU N N 15 0.0334 0.0004 0.0000 0.5191 . . . . . 27447 3 99 . 1 1 101 101 ALA N N 15 0.0334 0.0008 0.0000 0.7779 . . . . . 27447 3 100 . 1 1 102 102 ARG N N 15 0.0299 0.0001 0.8153 0.3130 . . . . . 27447 3 101 . 1 1 104 104 ILE N N 15 0.0312 0.0006 0.0000 0.7773 . . . . . 27447 3 102 . 1 1 105 105 ALA N N 15 0.0301 0.0004 1.4189 0.5820 . . . . . 27447 3 103 . 1 1 106 106 GLU N N 15 0.0333 0.0002 1.4017 0.5393 . . . . . 27447 3 104 . 1 1 107 107 GLU N N 15 0.0297 0.0005 3.8510 0.4857 . . . . . 27447 3 105 . 1 1 108 108 HIS N N 15 0.0306 0.0002 0.6849 0.6190 . . . . . 27447 3 106 . 1 1 109 109 HIS N N 15 0.0302 0.0008 0.6771 0.7453 . . . . . 27447 3 107 . 1 1 110 110 HIS N N 15 0.0286 0.0007 0.6320 0.6824 . . . . . 27447 3 108 . 1 1 111 111 HIS N N 15 0.0270 0.0004 5.7524 1.0724 . . . . . 27447 3 109 . 1 1 112 112 HIS N N 15 0.0323 0.0003 3.1421 0.5795 . . . . . 27447 3 110 . 1 1 113 113 GLU N N 15 0.0328 0.0012 2.0500 0.6540 . . . . . 27447 3 111 . 1 1 114 114 HIS N N 15 0.0315 0.0005 0.2863 0.7445 . . . . . 27447 3 112 . 1 1 115 115 THR N N 15 0.0309 0.0009 0.9041 1.2218 . . . . . 27447 3 113 . 1 1 116 116 LEU N N 15 0.0312 0.0004 0.0000 0.6013 . . . . . 27447 3 114 . 1 1 117 117 LEU N N 15 0.0293 0.0013 0.4019 0.4430 . . . . . 27447 3 115 . 1 1 118 118 THR N N 15 0.0306 0.0006 0.0000 0.6800 . . . . . 27447 3 116 . 1 1 119 119 TYR N N 15 0.0340 0.0004 0.2376 0.8140 . . . . . 27447 3 117 . 1 1 120 120 GLU N N 15 0.0294 0.0009 1.0685 0.5434 . . . . . 27447 3 118 . 1 1 121 121 GLN N N 15 0.0332 0.0004 0.7103 0.4384 . . . . . 27447 3 119 . 1 1 122 122 VAL N N 15 0.0313 0.0003 1.1113 0.7600 . . . . . 27447 3 120 . 1 1 123 123 ALA N N 15 0.0311 0.0006 0.0000 0.8090 . . . . . 27447 3 121 . 1 1 124 124 THR N N 15 0.0331 0.0006 1.2943 0.9472 . . . . . 27447 3 122 . 1 1 125 125 GLN N N 15 0.0311 0.0006 0.1604 0.5732 . . . . . 27447 3 123 . 1 1 126 126 PHE N N 15 0.0319 0.0005 0.0000 0.4006 . . . . . 27447 3 124 . 1 1 129 129 ASN N N 15 0.0344 0.0004 0.5377 0.9665 . . . . . 27447 3 125 . 1 1 130 130 GLU N N 15 0.0348 0.0011 1.8524 0.4651 . . . . . 27447 3 126 . 1 1 131 131 GLN N N 15 0.0318 0.0006 0.0000 0.5266 . . . . . 27447 3 127 . 1 1 132 132 LYS N N 15 0.0320 0.0006 0.0509 0.5329 . . . . . 27447 3 128 . 1 1 133 133 VAL N N 15 0.0337 0.0010 0.0000 0.6359 . . . . . 27447 3 129 . 1 1 134 134 ILE N N 15 0.0316 0.0002 0.0000 0.6223 . . . . . 27447 3 130 . 1 1 135 135 GLN N N 15 0.0309 0.0007 0.0000 1.0623 . . . . . 27447 3 131 . 1 1 136 136 ARG N N 15 0.0315 0.0005 0.0000 0.5858 . . . . . 27447 3 132 . 1 1 137 137 PHE N N 15 0.0539 0.0003 0.0000 0.3615 . . . . . 27447 3 133 . 1 1 138 138 LEU N N 15 0.0289 0.0005 0.3794 0.7488 . . . . . 27447 3 134 . 1 1 139 139 THR N N 15 0.0351 0.0016 0.4871 0.8292 . . . . . 27447 3 135 . 1 1 140 140 ALA N N 15 0.0314 0.0006 0.3486 0.5544 . . . . . 27447 3 136 . 1 1 141 141 LEU N N 15 0.0336 0.0005 1.0473 0.2524 . . . . . 27447 3 137 . 1 1 142 142 VAL N N 15 0.0305 0.0008 0.4298 0.5500 . . . . . 27447 3 138 . 1 1 143 143 GLY N N 15 0.0356 0.0009 0.0000 0.9645 . . . . . 27447 3 139 . 1 1 144 144 GLU N N 15 0.0361 0.0005 0.0000 0.6294 . . . . . 27447 3 140 . 1 1 145 145 ILE N N 15 0.0346 0.0010 2.6345 1.1048 . . . . . 27447 3 141 . 1 1 146 146 LYS N N 15 0.0487 0.0005 2.6296 0.2970 . . . . . 27447 3 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_methyl_R2_800 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode methyl_R2_800 _Heteronucl_T2_list.Entry_ID 27447 _Heteronucl_T2_list.ID 4 _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 800 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units s-1 _Heteronucl_T2_list.Details ; Slow-timescale methyl dynamics recorded using the latest version of the experiments by Korzhnev, Kay, et al. (J.Am.Chem.Soc. 126, 3964). The following methyls should be excluded or used with caution due to resonance overlap: CD2 of residues 12, 75, 81, 117, and 141 CD1 of residues 17, 57, 75, 97, and 117. ; _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 11 '2D 1H-13C CPMG HMQC relaxation dispersion' . . . 27447 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 1 $SPARKY . . 27447 4 5 $Origin . . 27447 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 1 1 MET CE C 13 0.000 0.721 0.000 1.880 . . . . . 27447 4 2 . 1 1 4 4 LEU CD1 C 13 6.552 0.153 3.957 0.399 . . . . . 27447 4 3 . 1 1 4 4 LEU CD2 C 13 4.256 0.102 0.000 0.265 . . . . . 27447 4 4 . 1 1 5 5 ALA CB C 13 9.614 0.088 0.000 0.229 . . . . . 27447 4 5 . 1 1 8 8 ILE CD1 C 13 12.091 0.102 0.649 0.266 . . . . . 27447 4 6 . 1 1 10 10 ALA CB C 13 5.015 0.043 0.834 0.113 . . . . . 27447 4 7 . 1 1 12 12 LEU CD1 C 13 11.291 0.118 1.961 0.307 . . . . . 27447 4 8 . 1 1 12 12 LEU CD2 C 13 5.409 0.098 1.794 0.256 . . . . . 27447 4 9 . 1 1 15 15 VAL CG1 C 13 10.709 0.041 0.932 0.106 . . . . . 27447 4 10 . 1 1 15 15 VAL CG2 C 13 11.104 0.080 0.500 0.209 . . . . . 27447 4 11 . 1 1 16 16 ILE CD1 C 13 6.989 0.124 4.175 0.322 . . . . . 27447 4 12 . 1 1 17 17 LEU CD1 C 13 9.815 0.057 0.149 0.150 . . . . . 27447 4 13 . 1 1 17 17 LEU CD2 C 13 9.343 0.041 0.023 0.107 . . . . . 27447 4 14 . 1 1 19 19 ALA CB C 13 10.820 0.157 0.395 0.409 . . . . . 27447 4 15 . 1 1 25 25 ILE CD1 C 13 0.696 0.307 0.000 0.801 . . . . . 27447 4 16 . 1 1 26 26 LEU CD1 C 13 2.802 0.042 0.153 0.109 . . . . . 27447 4 17 . 1 1 26 26 LEU CD2 C 13 1.547 0.042 0.528 0.109 . . . . . 27447 4 18 . 1 1 27 27 ILE CD1 C 13 1.476 0.234 0.000 0.610 . . . . . 27447 4 19 . 1 1 34 34 VAL CG1 C 13 4.002 0.107 3.147 0.280 . . . . . 27447 4 20 . 1 1 34 34 VAL CG2 C 13 3.256 0.054 1.874 0.141 . . . . . 27447 4 21 . 1 1 35 35 ALA CB C 13 10.666 0.045 0.386 0.116 . . . . . 27447 4 22 . 1 1 36 36 LEU CD1 C 13 22.507 0.123 1.669 0.322 . . . . . 27447 4 23 . 1 1 36 36 LEU CD2 C 13 19.414 0.136 1.959 0.355 . . . . . 27447 4 24 . 1 1 43 43 ILE CD1 C 13 12.961 0.048 0.050 0.126 . . . . . 27447 4 25 . 1 1 44 44 LEU CD1 C 13 13.431 0.068 2.073 0.177 . . . . . 27447 4 26 . 1 1 44 44 LEU CD2 C 13 13.568 0.072 1.909 0.187 . . . . . 27447 4 27 . 1 1 45 45 MET CE C 13 9.185 0.100 0.000 0.261 . . . . . 27447 4 28 . 1 1 46 46 LEU CD1 C 13 10.621 0.120 0.000 0.312 . . . . . 27447 4 29 . 1 1 46 46 LEU CD2 C 13 4.059 0.058 0.404 0.152 . . . . . 27447 4 30 . 1 1 47 47 LEU CD1 C 13 16.283 0.095 0.000 0.248 . . . . . 27447 4 31 . 1 1 47 47 LEU CD2 C 13 8.650 0.092 0.000 0.241 . . . . . 27447 4 32 . 1 1 52 52 LEU CD1 C 13 9.520 0.145 0.000 0.379 . . . . . 27447 4 33 . 1 1 52 52 LEU CD2 C 13 8.083 0.087 0.000 0.228 . . . . . 27447 4 34 . 1 1 57 57 LEU CD1 C 13 12.816 0.184 0.000 0.480 . . . . . 27447 4 35 . 1 1 57 57 LEU CD2 C 13 9.786 0.094 0.282 0.247 . . . . . 27447 4 36 . 1 1 58 58 ALA CB C 13 4.555 0.174 0.000 0.454 . . . . . 27447 4 37 . 1 1 61 61 LEU CD1 C 13 9.386 0.067 0.275 0.174 . . . . . 27447 4 38 . 1 1 61 61 LEU CD2 C 13 7.130 0.070 1.479 0.181 . . . . . 27447 4 39 . 1 1 63 63 VAL CG1 C 13 7.172 0.051 0.000 0.132 . . . . . 27447 4 40 . 1 1 63 63 VAL CG2 C 13 10.077 0.130 2.187 0.339 . . . . . 27447 4 41 . 1 1 66 66 ALA CB C 13 2.314 0.163 0.000 0.425 . . . . . 27447 4 42 . 1 1 67 67 ALA CB C 13 6.686 0.059 0.067 0.153 . . . . . 27447 4 43 . 1 1 68 68 VAL CG1 C 13 11.399 0.077 0.000 0.200 . . . . . 27447 4 44 . 1 1 68 68 VAL CG2 C 13 9.194 0.086 1.536 0.225 . . . . . 27447 4 45 . 1 1 71 71 ALA CB C 13 5.995 0.019 0.827 0.048 . . . . . 27447 4 46 . 1 1 72 72 ILE CD1 C 13 7.695 0.269 0.000 0.701 . . . . . 27447 4 47 . 1 1 75 75 LEU CD1 C 13 11.313 0.055 2.476 0.144 . . . . . 27447 4 48 . 1 1 75 75 LEU CD2 C 13 15.720 0.172 2.590 0.448 . . . . . 27447 4 49 . 1 1 76 76 VAL CG1 C 13 1.375 0.067 0.684 0.175 . . . . . 27447 4 50 . 1 1 76 76 VAL CG2 C 13 4.537 0.080 0.293 0.208 . . . . . 27447 4 51 . 1 1 80 80 MET CE C 13 4.984 0.027 1.030 0.070 . . . . . 27447 4 52 . 1 1 81 81 LEU CD1 C 13 12.779 0.088 0.277 0.230 . . . . . 27447 4 53 . 1 1 81 81 LEU CD2 C 13 9.027 0.076 0.823 0.197 . . . . . 27447 4 54 . 1 1 90 90 ALA CB C 13 0.000 0.444 0.000 1.158 . . . . . 27447 4 55 . 1 1 92 92 VAL CG1 C 13 0.542 0.044 0.024 0.116 . . . . . 27447 4 56 . 1 1 92 92 VAL CG2 C 13 0.439 0.151 0.000 0.393 . . . . . 27447 4 57 . 1 1 93 93 ILE CD1 C 13 0.000 0.344 0.000 0.897 . . . . . 27447 4 58 . 1 1 97 97 LEU CD1 C 13 12.918 0.125 0.000 0.327 . . . . . 27447 4 59 . 1 1 97 97 LEU CD2 C 13 7.158 0.062 1.963 0.162 . . . . . 27447 4 60 . 1 1 100 100 LEU CD1 C 13 0.000 0.243 0.000 0.633 . . . . . 27447 4 61 . 1 1 100 100 LEU CD2 C 13 2.970 0.132 0.000 0.343 . . . . . 27447 4 62 . 1 1 101 101 ALA CB C 13 15.566 0.086 0.152 0.225 . . . . . 27447 4 63 . 1 1 104 104 ILE CD1 C 13 4.411 0.233 0.977 0.609 . . . . . 27447 4 64 . 1 1 105 105 ALA CB C 13 9.782 0.081 0.806 0.212 . . . . . 27447 4 65 . 1 1 116 116 LEU CD1 C 13 1.991 0.035 0.150 0.092 . . . . . 27447 4 66 . 1 1 116 116 LEU CD2 C 13 1.387 0.110 0.977 0.286 . . . . . 27447 4 67 . 1 1 117 117 LEU CD1 C 13 2.559 0.114 0.000 0.296 . . . . . 27447 4 68 . 1 1 117 117 LEU CD2 C 13 0.000 0.163 1.840 0.426 . . . . . 27447 4 69 . 1 1 122 122 VAL CG1 C 13 8.722 0.074 0.931 0.194 . . . . . 27447 4 70 . 1 1 122 122 VAL CG2 C 13 8.587 0.102 0.683 0.266 . . . . . 27447 4 71 . 1 1 123 123 ALA CB C 13 14.605 0.087 0.000 0.228 . . . . . 27447 4 72 . 1 1 133 133 VAL CG1 C 13 8.410 0.098 0.000 0.256 . . . . . 27447 4 73 . 1 1 133 133 VAL CG2 C 13 2.403 0.117 0.426 0.306 . . . . . 27447 4 74 . 1 1 134 134 ILE CD1 C 13 7.231 0.171 0.000 0.447 . . . . . 27447 4 75 . 1 1 138 138 LEU CD1 C 13 12.691 0.148 0.000 0.385 . . . . . 27447 4 76 . 1 1 138 138 LEU CD2 C 13 14.627 0.067 0.000 0.175 . . . . . 27447 4 77 . 1 1 140 140 ALA CB C 13 4.098 0.143 0.000 0.372 . . . . . 27447 4 78 . 1 1 141 141 LEU CD1 C 13 15.319 0.088 1.406 0.229 . . . . . 27447 4 79 . 1 1 141 141 LEU CD2 C 13 14.656 0.183 3.134 0.477 . . . . . 27447 4 80 . 1 1 142 142 VAL CG1 C 13 5.801 0.071 0.089 0.186 . . . . . 27447 4 81 . 1 1 142 142 VAL CG2 C 13 10.757 0.222 5.440 0.579 . . . . . 27447 4 82 . 1 1 145 145 ILE CD1 C 13 3.678 0.171 1.622 0.445 . . . . . 27447 4 stop_ save_