########################################
# 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_