Content for NMR-STAR saveframe, "peak_list_8"
save_peak_list_8
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_8
_Spectral_peak_list.Entry_ID 50595
_Spectral_peak_list.ID 8
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 8
_Spectral_peak_list.Experiment_name '3D HCCH-TOCSY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
Assignment w1 w2 w3
?-?-? 27.508 0.939 1.562
?-?-? 16.783 0.684 1.671
?-?-? 119.950 177.526 8.072
M1CA-HA-HA 55.522 4.510 4.513
M1CA-HA-HB2 55.522 4.512 2.017
M1CA-HA-HB3 55.522 4.512 1.967
M1CA-HA-HG2 55.616 4.512 2.533
M1CB-HB2-HA 33.124 2.018 4.517
M1CB-HB2-HB2 33.124 2.011 2.017
M1CB-HB2-HB3 33.124 2.016 1.967
M1CB-HB2-HG2 33.124 2.012 2.532
M1CB-HB3-HA 33.124 1.968 4.516
M1CB-HB3-HB2 33.124 1.968 2.017
M1CB-HB3-HB3 33.124 1.964 1.964
M1CB-HB3-HG2 33.124 1.968 2.533
M1CE-HE-HE 17.075 2.081 2.078
M1CG-HG2-HA 32.039 2.532 4.517
M1CG-HG2-HB2 32.039 2.539 2.017
M1CG-HG2-HB3 32.039 2.538 1.970
M1CG-HG2-HG2 31.947 2.535 2.534
S2CA-HA-HA 58.104 4.404 4.417
S2CA-HA-HB2 58.099 4.405 3.768
S2CB-HB2-HA 63.853 3.760 4.406
S2CB-HB2-HB2 63.860 3.767 3.768
Y3CA-HA-HA 57.596 4.603 4.618
Y3CA-HA-HB2 57.596 4.613 2.900
Y3CA-HA-HB3 57.596 4.613 3.082
Y3CB-HB2-HA 39.001 2.894 4.620
Y3CB-HB2-HB2 39.001 2.897 2.894
Y3CB-HB2-HB3 39.001 2.900 3.089
Y3CB-HB3-HA 38.987 3.084 4.610
Y3CB-HB3-HB2 38.987 3.087 2.897
Y3CB-HB3-HB3 38.987 3.084 3.077
Q4CA-HA-HA 55.720 4.339 4.344
Q4CA-HA-HB2 55.727 4.337 1.904
Q4CB-HB2-HB2 30.067 1.904 1.894
Q4CB-HB2-HB3 30.067 1.904 2.028
Q4CB-HB2-HG2 30.067 1.908 2.299
Q4CB-HB3-HB3 30.116 2.039 2.022
Q4CB-HB3-HG2 30.116 2.025 2.292
Q4CG-HG2-HA 33.890 2.297 4.339
Q4CG-HG2-HB2 33.890 2.294 1.904
Q4CG-HG2-HB3 33.890 2.292 2.023
Q4CG-HG2-HG2 33.890 2.297 2.291
V5CG1-HG1-HB 21.865 0.955 2.218
V5CG1-HG1-HG1 21.865 0.951 0.944
V5CG2-HG2-HB 20.504 0.940 2.211
V5CG2-HG2-HG2 20.504 0.939 0.941
L6CD1-HD1-HD1 22.903 0.784 0.779
L6CD1-HD1-HD2 22.903 0.786 0.708
L6CD2-HD2-HD1 25.776 0.708 0.785
L6CD2-HD2-HD2 25.776 0.708 0.701
W10CA-HA-HA 58.357 4.289 4.288
R11CG-HG2-HD2 27.000 1.741 3.224
R11CG-HG2-HG2 27.000 1.743 1.737
T14CA-HA-HA 59.789 4.387 4.372
T14CA-HA-HB 59.789 4.384 4.445
T14CB-HB-HA 72.291 4.465 4.384
T14CB-HB-HB 72.291 4.458 4.455
T14CG2-HG2-HA 21.498 1.113 4.392
T14CG2-HG2-HB 21.498 1.122 4.457
T14CG2-HG2-HG2 21.498 1.122 1.122
F15CA-HA-HA 60.509 4.277 4.275
F15CA-HA-HB2 60.509 4.266 3.207
F15CB-HB2-HA 38.023 3.204 4.257
F15CB-HB2-HB2 38.023 3.213 3.202
A16CA-HA-HA 54.150 4.183 4.195
A16CA-HA-HB 54.150 4.200 1.378
A16CB-HB-HA 18.476 1.399 4.196
A16CB-HB-HB 18.499 1.395 1.387
D17CA-HA-HB2 54.870 4.628 3.126
D17CB-HB2-HA 43.351 3.141 4.627
D17CB-HB2-HB2 43.351 3.145 3.150
V18CA-HA-HA 63.265 3.801 3.791
V18CB-HB-HB 31.707 2.226 2.232
V18CG1-HG1-HB 22.528 0.901 2.241
V18CG1-HG1-HG1 22.528 0.898 0.903
V18CG2-HG2-HB 21.703 0.867 2.258
V18CG2-HG2-HG2 21.703 0.856 0.864
V19CB-HB-HB 32.315 1.929 1.930
V19CB-HB-HG1 32.315 1.914 0.900
V19CB-HB-HG2 32.315 1.916 0.942
V19CG1-HG1-HB 21.605 0.903 1.913
V19CG2-HG2-HB 21.567 0.940 1.910
V19CG2-HG2-HG2 21.567 0.947 0.939
E22CA-HA-HA 61.674 3.858 3.863
E22CB-HB2-HB2 28.992 2.090 2.085
E22CB-HB2-HG2 28.992 2.088 2.341
E22CG-HG2-HB2 36.412 2.348 2.083
V24CA-HA-HA 64.370 3.827 3.835
V24CB-HB-HB 32.850 1.987 1.962
V24CB-HB-HG1 32.850 1.996 0.726
V24CG1-HG1-HB 21.676 0.736 1.998
V24CG1-HG1-HG1 21.676 0.732 0.724
V24CG2-HG2-HB 20.814 0.705 1.995
V24CG2-HG2-HG1 20.814 0.713 0.731
V24CG2-HG2-HG2 20.814 0.704 0.694
L25CA-HA-HA 58.077 3.607 3.605
L25CA-HA-HB2 58.077 3.614 1.722
L25CB-HB2-HA 41.074 1.720 3.609
L25CB-HB2-HB2 41.074 1.733 1.725
L25CB-HB2-HD1 41.074 1.734 0.883
L25CB-HB2-HD2 41.074 1.724 0.560
L25CB-HB2-HG 41.074 1.728 1.434
L25CD1-HD1-HB2 25.941 0.886 1.733
L25CD1-HD1-HD1 25.941 0.889 0.886
L25CD1-HD1-HD2 25.941 0.886 0.565
L25CD1-HD1-HG 25.941 0.894 1.417
L25CD2-HD2-HB2 22.752 0.568 1.727
L25CD2-HD2-HD1 22.752 0.572 0.881
L25CD2-HD2-HD2 22.752 0.570 0.567
L25CD2-HD2-HG 22.752 0.572 1.424
T26CA-HA-HA 66.220 3.941 3.941
T26CA-HA-HB 66.291 3.938 4.198
T26CB-HB-HA 68.700 4.196 3.943
T26CB-HB-HB 68.700 4.187 4.208
T26CG2-HG2-HG2 21.718 1.287 1.277
A27CA-HA-HA 55.202 4.307 4.309
A27CA-HA-HB 55.202 4.311 1.725
A27CB-HB-HA 18.867 1.720 4.321
A27CB-HB-HB 18.867 1.724 1.722
L28CB-HB2-HB2 42.261 1.486 1.487
L28CB-HB2-HD2 42.261 1.489 0.532
L28CD1-HD1-HB2 23.902 0.518 1.491
L28CD1-HD1-HD1 23.902 0.527 0.523
L28CD1-HD1-HG 23.902 0.520 1.444
L28CD2-HD2-HG 25.796 0.542 1.449
L28CG-HG-HD2 25.965 1.447 0.526
A29CA-HA-HA 55.526 3.888 3.898
A29CA-HA-HB 55.526 3.895 1.429
A29CB-HB-HA 18.060 1.448 3.894
A29CB-HB-HB 18.087 1.448 1.442
N30CA-HA-HA 56.379 4.454 4.458
N30CA-HA-HB2 56.379 4.449 2.969
N30CA-HA-HB3 56.379 4.447 2.801
N30CB-HB2-HA 38.571 2.977 4.461
N30CB-HB2-HB2 38.571 2.978 2.967
N30CB-HB2-HB3 38.571 2.971 2.820
N30CB-HB3-HB2 38.515 2.807 2.978
N30CB-HB3-HB3 38.515 2.810 2.811
G31CA-HA2-HA3 48.035 4.062 3.918
G31CA-HA2-HA3 48.035 4.065 4.060
G31CA-HA3-HA2 47.935 3.912 4.076
G31CA-HA3-HA3 47.935 3.910 3.911
L32CD1-HD1-HD1 25.345 0.785 0.775
L32CD1-HD1-HD2 25.345 0.783 0.659
L32CD2-HD2-HD1 23.234 0.652 0.783
L32CD2-HD2-HD2 23.234 0.668 0.659
S33CA-HA-HA 61.455 4.298 4.301
S33CA-HA-HB2 61.455 4.295 4.010
S33CB-HB2-HA 63.242 4.013 4.303
S33CB-HB2-HB2 63.242 4.015 4.016
L34CA-HA-HA 55.078 4.434 4.443
L34CA-HA-HB2 55.078 4.447 1.792
L34CA-HA-HB3 55.078 4.441 1.659
L34CA-HA-HD1 55.078 4.440 0.904
L34CB-HB2-HA 42.869 1.788 4.451
L34CB-HB2-HB2 42.869 1.790 1.792
L34CB-HB2-HD1 42.869 1.789 0.900
L34CB-HB3-HA 42.852 1.666 4.440
L34CB-HB3-HB3 42.852 1.663 1.674
L34CB-HB3-HD1 42.852 1.656 0.904
L34CD1-HD1-HA 25.196 0.902 4.447
L34CD1-HD1-HB2 25.196 0.902 1.777
L34CD1-HD1-HD1 25.196 0.908 0.904
L34CD1-HD1-HG 25.196 0.897 1.942
L34CD2-HD2-HB2 22.779 0.898 1.787
L34CD2-HD2-HD2 22.779 0.902 0.906
L34CD2-HD2-HG 22.779 0.903 1.939
L34CG-HG-HD1 27.475 1.940 0.917
G35CA-HA2-HA2 46.263 4.152 4.155
G35CA-HA2-HA3 46.263 4.150 3.593
G35CA-HA3-HA2 46.370 3.590 4.165
G35CA-HA3-HA3 46.370 3.592 3.601
R36CA-HA-HA 54.900 4.542 4.538
R36CA-HA-HG2 54.900 4.557 1.536
R36CB-HB2-HB2 29.836 1.862 1.835
R36CB-HB2-HB3 29.836 1.858 1.665
R36CB-HB2-HD2 29.836 1.860 3.211
R36CB-HB3-HA 29.860 1.698 4.548
R36CB-HB3-HB3 29.860 1.690 1.702
R36CB-HB3-HD2 29.860 1.690 3.191
R36CD-HD2-HB2 43.509 3.197 1.847
R36CD-HD2-HB3 43.509 3.201 1.673
R36CD-HD2-HD2 43.509 3.211 3.201
R36CD-HD2-HG2 43.509 3.205 1.540
R36CG-HG2-HD2 26.912 1.522 3.205
R36CG-HG2-HG2 26.912 1.520 1.509
I37CB-HB-HA 38.579 1.910 4.308
I37CB-HB-HB 38.579 1.909 1.912
I37CB-HB-HD1 38.579 1.910 0.764
I37CB-HB-HG12 38.579 1.910 1.302
I37CB-HB-HG13 38.579 1.908 1.221
I37CD1-HD1-HD1 12.329 0.765 0.762
I37CD1-HD1-HG12 12.212 0.767 1.308
I37CG1-HG12-HB 26.533 1.306 1.913
I37CG1-HG12-HD1 26.533 1.286 0.764
I37CG1-HG13-HB 26.548 1.239 1.913
I37CG2-HG2-HB 17.652 0.911 1.911
I37CG2-HG2-HG12 17.652 0.901 1.314
I37CG2-HG2-HG2 17.652 0.906 0.901
H39CA-HA-HB2 57.808 4.676 3.200
H39CB-HB3-HB3 31.418 3.220 3.211
A40CA-HA-HA 51.439 5.798 5.822
A40CA-HA-HB 51.439 5.809 1.342
A40CB-HB-HA 22.683 1.343 5.818
A40CB-HB-HB 22.683 1.342 1.346
Y41CA-HA-HA 56.863 4.806 4.830
Y41CA-HA-HB2 56.863 4.804 2.910
Y41CB-HB2-HA 42.384 2.912 4.820
Y41CB-HB2-HB2 42.396 2.909 2.915
L42CD1-HD1-HD1 26.508 0.680 0.671
L42CD1-HD1-HD2 26.508 0.680 0.760
L42CD1-HD1-HG 26.508 0.684 1.378
L42CD2-HD2-HD1 25.305 0.764 0.670
L42CD2-HD2-HG 25.297 0.763 1.376
L42CG-HG-HD1 27.783 1.377 0.679
L42CG-HG-HD2 27.783 1.375 0.764
L42CG-HG-HG 27.783 1.377 1.381
F43CA-HA-HA 56.648 5.585 5.581
F43CB-HB2-HA 40.931 2.935 5.570
S44CA-HA-HB2 56.257 6.151 3.571
S44CB-HB2-HA 66.885 3.574 6.163
S44CB-HB2-HB2 66.885 3.572 3.573
G45CA-HA2-HA3 44.704 4.483 3.936
G45CA-HA3-HA2 44.690 3.941 4.515
G45CA-HA3-HA3 44.690 3.941 3.933
T46CA-HA-HA 62.697 4.286 4.287
T46CB-HB-HB 69.849 4.336 4.327
T46CG2-HG2-HB 21.572 1.431 4.334
T46CG2-HG2-HG2 21.572 1.442 1.442
T46CG2-HG2-HG2 21.924 1.431 1.436
G48CA-HA2-HA2 45.550 3.950 3.962
V49CA-HA-HA 62.600 4.593 4.604
V49CB-HB-HB 32.123 2.354 2.353
V49CB-HB-HG1 32.123 2.354 0.922
V49CB-HB-HG2 32.123 2.355 1.023
V49CG1-HG1-HB 21.582 0.920 2.359
V49CG1-HG1-HG1 21.582 0.920 0.912
V49CG1-HG1-HG2 21.582 0.916 1.023
V49CG2-HG2-HB 19.839 1.013 2.365
V49CG2-HG2-HG1 19.839 1.024 0.918
V49CG2-HG2-HG2 19.839 1.020 1.023
G50CA-HA2-HA2 45.481 3.820 3.835
G50CA-HA2-HA3 45.481 3.824 4.466
G50CA-HA3-HA2 45.437 4.460 3.826
G50CA-HA3-HA3 45.437 4.460 4.460
K51CA-HA-HA 61.358 3.607 3.609
T52CA-HA-HA 65.226 3.782 3.787
T52CA-HA-HB 65.226 3.782 4.237
T52CB-HB-HA 68.583 4.243 3.783
T52CB-HB-HB 68.583 4.244 4.229
T52CG2-HG2-HG2 22.635 1.144 1.146
S53CA-HA-HA 61.539 4.129 4.130
S53CB-HB2-HA 62.566 3.694 4.179
I54CA-HA-HA 64.643 3.460 3.460
I54CB-HB-HG13 36.194 1.462 1.545
I54CD1-HD1-HB 13.181 0.736 1.456
I54CD1-HD1-HD1 13.181 0.727 0.721
I54CD1-HD1-HG13 13.181 0.732 1.552
I54CG1-HG12-HB 30.011 1.036 1.460
I54CG1-HG12-HD1 30.011 1.005 0.725
I54CG1-HG13-HB 29.850 1.556 1.445
I54CG1-HG13-HD1 29.850 1.565 0.720
I54CG1-HG13-HG13 29.850 1.566 1.560
I54CG2-HG2-HB 17.878 0.353 1.449
I54CG2-HG2-HG13 17.881 0.371 1.553
I54CG2-HG2-HG2 17.878 0.357 0.356
A55CA-HA-HA 55.281 3.596 3.597
A55CA-HA-HB 55.281 3.599 1.232
A55CB-HB-HB 17.894 1.228 1.230
R56CA-HA-HA 60.597 3.542 3.546
L57CA-HA-HA 57.886 3.716 3.709
L57CD1-HD1-HD1 25.316 0.316 0.309
L57CD1-HD1-HD2 25.316 0.321 0.244
L57CD1-HD1-HG 25.316 0.305 1.519
L57CD2-HD2-HD1 23.168 0.244 0.306
L57CD2-HD2-HD2 23.168 0.245 0.243
L57CD2-HD2-HG 23.168 0.247 1.512
L57CG-HG-HD1 26.272 1.505 0.306
L57CG-HG-HD2 26.272 1.504 0.246
L57CG-HG-HG 26.272 1.508 1.502
L58CD1-HD1-HD1 24.000 0.823 0.831
L58CD1-HD1-HD2 24.000 0.818 0.354
L58CD1-HD1-HG 24.000 0.822 1.298
L58CD2-HD2-HD1 26.372 0.354 0.824
L58CD2-HD2-HD2 26.372 0.358 0.355
L58CD2-HD2-HG 26.372 0.356 1.309
L58CG-HG-HD1 27.383 1.312 0.822
L58CG-HG-HD2 27.383 1.308 0.355
A59CA-HA-HA 55.849 3.807 3.802
A59CA-HA-HB 55.849 3.813 1.476
A59CB-HB-HB 18.364 1.492 1.493
K60CA-HA-HA 59.243 4.002 4.002
K60CA-HA-HB2 59.243 4.006 1.700
K60CB-HB2-HA 34.137 1.700 3.985
K60CB-HB2-HB2 34.137 1.706 1.705
K60CD-HD2-HB2 29.707 1.577 1.703
K60CD-HD2-HD2 29.707 1.588 1.591
K60CD-HD2-HE2 29.707 1.591 2.880
K60CD-HD2-HE3 29.707 1.587 2.708
K60CD-HD2-HG2 29.707 1.581 1.227
K60CE-HE2-HE3 41.990 2.869 2.720
K60CE-HE3-HD2 41.993 2.705 1.585
K60CE-HE3-HE2 41.993 2.709 2.868
K60CE-HE3-HE3 41.993 2.712 2.712
K60CG-HG2-HB2 25.004 1.234 1.714
K60CG-HG2-HD2 25.002 1.230 1.590
G61CA-HA2-HA3 48.236 4.046 4.058
G61CA-HA2-HA3 48.236 4.040 3.890
G61CA-HA3-HA2 48.224 3.885 4.067
G61CA-HA3-HA3 48.224 3.884 3.899
L62CA-HA-HA 57.160 4.249 4.262
L62CB-HB2-HD2 42.410 1.912 0.670
L62CD1-HD1-HD1 25.448 0.464 0.467
L62CD1-HD1-HD2 25.448 0.468 0.664
L62CD2-HD2-HD1 23.487 0.679 0.476
L62CD2-HD2-HD2 23.487 0.681 0.660
N63CA-HA-HA 53.640 5.173 5.184
N63CA-HA-HB2 53.640 5.182 2.799
N63CB-HB2-HA 42.104 2.801 5.195
C64CA-HA-HA 62.474 4.179 4.178
C64CB-HB2-HB2 27.355 3.015 3.004
E65CB-HB2-HA 30.677 2.224 4.129
E65CB-HB2-HB2 30.677 2.236 2.209
E65CB-HB2-HG2 30.677 2.234 2.442
E65CB-HB2-HG3 30.677 2.236 2.729
E65CG-HG2-HB2 37.957 2.435 2.222
E65CG-HG2-HG2 37.957 2.436 2.434
E65CG-HG2-HG2 38.014 2.731 2.430
E65CG-HG2-HG3 37.957 2.434 2.727
E65CG-HG3-HB2 38.014 2.735 2.248
E65CG-HG3-HG3 38.014 2.728 2.725
T66CA-HA-HA 64.198 4.268 4.273
T66CA-HA-HB 64.198 4.270 4.381
T66CB-HB-HA 70.102 4.373 4.260
T66CB-HB-HB 70.102 4.374 4.364
T66CG2-HG2-HG2 21.924 1.458 1.446
G67CA-HA2-HA2 43.837 4.326 4.326
G67CA-HA2-HA3 43.837 4.312 3.639
G67CA-HA3-HA2 43.823 3.655 4.324
G67CA-HA3-HA3 43.823 3.644 3.639
I68CA-HA-HA 62.493 4.469 4.486
I68CD1-HD1-HD1 14.297 1.186 1.181
I68CG2-HG2-HB 18.743 0.966 1.746
I68CG2-HG2-HG2 18.743 0.966 0.965
T69CA-HA-HA 59.109 4.691 4.686
T69CA-HA-HB 59.109 4.683 3.887
A70CA-HA-HA 52.064 4.208 4.207
A70CA-HA-HB 52.050 4.203 1.418
A70CB-HB-HA 19.307 1.422 4.209
A70CB-HB-HB 19.307 1.419 1.411
T71CA-HA-HA 56.839 4.571 4.568
T71CA-HA-HB 56.839 4.568 4.192
T71CB-HB-HB 69.133 4.190 4.194
T71CG2-HG2-HB 20.927 1.060 4.191
T71CG2-HG2-HG2 20.927 1.043 1.042
C73CA-HA-HA 61.749 4.371 4.372
G74CA-HA2-HA2 47.082 4.347 4.361
G74CA-HA2-HA3 47.082 4.349 3.615
G74CA-HA3-HA2 47.065 3.630 4.341
G74CA-HA3-HA3 47.065 3.615 3.631
V75CA-HA-HA 61.744 4.537 4.538
V75CB-HB-HB 34.356 2.299 2.299
V75CB-HB-HG2 34.278 2.297 0.855
V75CG1-HG1-HB 19.068 0.830 2.292
V75CG1-HG1-HG1 19.068 0.833 0.837
V75CG2-HG2-HB 21.318 0.863 2.301
V75CG2-HG2-HG2 21.318 0.863 0.860
D77CA-HA-HA 58.397 4.236 4.233
D77CA-HA-HB2 58.397 4.227 2.728
D77CB-HB2-HA 40.098 2.732 4.225
D77CB-HB2-HB2 40.098 2.734 2.740
N78CA-HA-HA 56.541 3.799 3.799
N78CA-HA-HB2 56.541 3.784 2.934
N78CB-HB2-HA 36.967 2.938 3.804
C79CA-HA-HA 66.330 3.602 3.597
R80CA-HA-HA 59.617 3.827 3.830
R80CB-HB2-HA 30.237 1.712 3.841
R80CB-HB2-HB2 30.237 1.725 1.712
R80CB-HB2-HD2 30.237 1.717 3.150
R80CB-HB2-HG2 30.237 1.718 1.430
R80CD-HB2-HG2 43.253 3.158 1.430
R80CG-HG2-HB2 27.866 1.433 1.724
R80CG-HG2-HD2 27.866 1.428 3.157
E81CB-HB2-HB2 29.386 1.901 1.894
E81CB-HB2-HG2 29.388 1.898 2.138
E83CA-HA-HA 59.064 3.910 3.915
E83CA-HA-HG2 59.064 3.912 2.251
E83CB-HB2-HA 29.524 2.149 3.914
E83CB-HB2-HB2 29.524 2.160 2.155
E83CB-HB2-HG2 29.524 2.155 2.253
E83CG-HG2-HB2 35.562 2.266 2.145
E83CG-HG2-HG2 35.562 2.267 2.266
Q84CA-HA-HA 55.890 4.220 4.224
Q84CB-HB2-HG2 29.628 1.945 2.574
Q84CB-HB3-HB3 29.628 1.937 1.942
Q84CG-HG2-HB3 34.059 2.564 1.931
G85CA-HA2-HA2 46.664 4.044 4.028
R86CA-HA-HB2 54.489 4.731 1.908
R86CA-HA-HB3 54.489 4.742 1.643
R86CA-HA-HD2 54.489 4.734 3.207
R86CA-HA-HG2 54.489 4.730 1.506
R86CB-HB2-HB2 31.413 1.907 1.912
R86CB-HB2-HB3 31.413 1.908 1.643
R86CB-HB2-HD2 31.413 1.903 3.207
R86CB-HB2-HG2 31.413 1.900 1.506
R86CB-HB3-HB2 31.366 1.646 1.902
R86CB-HB3-HD2 31.366 1.638 3.210
R86CB-HB3-HG2 31.366 1.641 1.498
R86CD-HD2-HB2 43.589 3.202 1.904
R86CD-HD2-HB3 43.589 3.195 1.641
R86CD-HD2-HD2 43.589 3.212 3.223
R86CD-HD2-HG2 43.589 3.201 1.508
R86CG-HG2-HB2 26.978 1.516 1.897
R86CG-HG2-HB3 26.978 1.510 1.644
R86CG-HG2-HD2 26.978 1.486 3.205
F87CA-HA-HA 55.616 5.035 5.048
F87CB-HB2-HA 40.433 3.053 5.052
F87CB-HB2-HB2 40.433 3.062 3.048
V88CB-HB-HG1 31.424 2.006 0.751
V88CB-HB-HG2 31.424 2.007 0.708
V88CG1-HG1-HB 20.025 0.751 2.007
V88CG1-HG1-HG1 20.025 0.751 0.758
V88CG1-HG1-HG2 20.025 0.750 0.711
V88CG2-HG2-HB 19.834 0.718 2.006
V88CG2-HG2-HG1 19.834 0.719 0.751
V88CG2-HG2-HG2 19.834 0.716 0.709
D89CA-HA-HB2 54.137 4.708 3.305
D89CB-HB2-HB2 42.542 3.309 3.310
L90CD1-HD1-HD1 27.508 0.943 0.934
L90CD1-HD1-HD2 27.508 0.939 0.760
L90CD2-HD2-HD1 24.586 0.764 0.941
L90CD2-HD2-HD2 24.586 0.767 0.767
I91CB-HB-HB 38.065 1.313 1.303
I91CB-HB-HD1 38.065 1.305 0.459
I91CB-HB-HG12 38.065 1.303 1.074
I91CD1-HD1-HD1 13.623 0.462 0.458
I91CD1-HD1-HG12 13.640 0.455 1.085
I91CD1-HD1-HG13 13.640 0.462 0.938
I91CG1-HG12-HB 28.214 1.087 1.316
I91CG1-HG12-HD1 28.214 1.083 0.459
I91CG2-HG2-HB 18.994 0.848 1.320
I93CA-HA-HA 60.383 4.277 4.287
I93CB-HB-HA 41.881 1.887 4.294
I93CB-HB-HG12 41.881 1.866 1.155
I93CB-HB-HG2 41.881 1.870 0.866
I93CD1-HD1-HD1 14.082 0.983 0.986
I93CG2-HG2-HG2 17.218 0.875 0.866
D94CA-HA-HA 52.340 4.880 4.883
D94CA-HA-HB2 52.340 4.869 2.933
D94CA-HA-HB3 52.340 4.869 2.715
D94CB-HB2-HA 40.376 2.926 4.853
D94CB-HB2-HB2 40.376 2.934 2.942
D94CB-HB2-HB3 40.376 2.933 2.714
D94CB-HB3-HA 40.350 2.724 4.872
D94CB-HB3-HB3 40.350 2.721 2.736
A95CA-HA-HA 54.289 3.966 3.969
A95CA-HA-HB 54.289 3.969 1.251
A95CB-HB-HA 19.339 1.246 3.979
A95CB-HB-HB 19.339 1.249 1.246
A96CA-HA-HA 53.066 4.203 4.208
A96CA-HA-HB 53.066 4.203 1.469
S97CA-HA-HA 58.583 4.387 4.400
S97CA-HA-HB2 58.583 4.394 3.960
T99CA-HA-HA 58.233 3.829 3.828
T99CB-HA-HA 65.089 3.828 3.831
V101CA-HA-HA 64.469 3.945 3.954
V101CB-HB-HB 32.304 2.138 2.133
V101CB-HB-HG1 32.304 2.134 0.990
V101CG1-HG1-HB 21.241 1.002 2.131
V101CG1-HG1-HG1 21.244 0.997 0.986
V101CG2-HG2-HG2 21.280 1.035 1.034
E102CA-HA-HA 58.238 4.185 4.186
E102CA-HA-HB2 58.235 4.184 1.997
E102CA-HA-HG2 58.238 4.193 2.306
E102CB-HB2-HB2 29.485 2.003 2.017
E102CB-HB2-HG2 29.485 2.009 2.293
E102CG-HG2-HA 36.623 2.303 4.186
E102CG-HG2-HB2 36.623 2.305 2.010
E102CG-HG2-HG2 36.623 2.300 2.303
D103CA-HA-HA 55.677 4.583 4.589
D103CA-HA-HB2 55.677 4.582 2.733
D103CB-HB2-HA 41.218 2.729 4.580
D103CB-HB2-HB2 41.218 2.734 2.733
T104CA-HA-HA 64.539 4.044 4.047
T104CA-HA-HB 64.539 4.041 4.308
T104CB-HB-HA 69.007 4.308 4.046
T104CG2-HG2-HG2 22.193 1.179 1.181
R105CA-HA-HA 58.191 4.057 4.064
R105CB-HB2-HB2 30.142 1.855 1.845
R105CB-HB2-HD2 30.142 1.856 3.086
R105CD-HD2-HD2 43.332 3.089 3.086
R105CG-HG2-HA 26.875 1.600 4.057
R105CG-HG2-HB2 26.875 1.607 1.855
R105CG-HG2-HD2 26.875 1.601 3.090
R105CG-HG2-HG2 26.875 1.601 1.597
D106CA-HA-HA 56.109 4.493 4.502
D106CA-HA-HB2 56.109 4.493 2.732
D106CB-HB2-HA 41.058 2.732 4.496
D106CB-HB2-HB2 41.058 2.733 2.719
L107CB-HB2-HA 42.764 1.547 4.165
L107CB-HB2-HB2 42.764 1.545 1.541
L107CD1-HD1-HD1 23.913 0.898 0.905
L107CD1-HD1-HG 23.913 0.904 1.769
L107CD2-HD2-HD2 25.412 0.913 0.899
L107CD2-HD2-HG 25.412 0.904 1.772
L107CG-HG-HD2 27.134 1.775 0.904
L107CG-HG-HG 27.134 1.778 1.774
L108CD1-HD1-HD1 25.989 0.781 0.774
L108CD1-HD1-HD2 25.989 0.790 0.575
L108CD1-HD1-HG 25.989 0.787 1.587
L108CD2-HD2-HD1 22.752 0.593 0.779
L108CD2-HD2-HG 22.752 0.581 1.587
D109CA-HA-HA 56.126 4.569 4.590
D109CA-HA-HB2 56.126 4.575 2.727
D109CB-HB2-HA 41.113 2.733 4.561
D109CB-HB2-HB2 41.113 2.732 2.755
N110CA-HA-HA 53.304 4.893 4.887
N110CA-HA-HB2 53.304 4.885 2.816
N110CB-HB2-HA 38.745 2.802 4.884
N110CB-HB2-HB2 38.745 2.808 2.806
N110CB-HB3-HA 38.784 2.917 4.886
N110CB-HB3-HB3 38.784 2.903 2.896
V111CA-HA-HA 64.769 4.046 4.063
V111CG1-HG1-HB 21.123 0.942 2.187
V111CG1-HG1-HG1 21.123 0.938 0.938
V111CG1-HG1-HG2 21.123 0.934 1.012
V111CG2-HG2-HB 21.979 1.009 2.194
V111CG2-HG2-HG1 21.979 1.013 0.936
V111CG2-HG2-HG2 21.979 1.013 1.012
Y113CA-HA-HA 57.829 4.495 4.497
Y113CA-HA-HB2 57.829 4.494 3.150
Y113CB-HB2-HA 38.377 3.162 4.493
Y113CB-HB2-HB2 38.377 3.153 3.176
A116CA-HA-HA 53.943 4.192 4.195
A116CA-HA-HB 53.943 4.195 1.331
A116CB-HB-HA 20.313 1.328 4.203
A116CB-HB-HB 20.313 1.336 1.326
R117CA-HA-HA 57.150 4.441 4.442
R117CA-HA-HB2 57.150 4.446 1.789
R117CA-HA-HD3 57.150 4.433 3.244
R117CA-HA-HG2 57.150 4.447 1.677
R117CA-HA-HG3 57.150 4.447 1.555
R117CB-HB2-HA 34.421 1.806 4.444
R117CB-HB2-HD2 34.421 1.799 3.328
R117CB-HB2-HD3 34.421 1.803 3.261
R117CB-HB2-HG2 34.421 1.805 1.680
R117CB-HB2-HG3 34.421 1.803 1.549
R117CB-HB3-HA 34.441 1.535 4.450
R117CB-HB3-HB3 34.441 1.534 1.561
R117CB-HB3-HD2 34.441 1.529 3.316
R117CD-HD2-HA 43.085 3.326 4.440
R117CD-HD2-HD2 43.085 3.314 3.318
R117CD-HD2-HD3 43.085 3.310 3.265
R117CD-HD2-HG3 43.085 3.317 1.561
R117CD-HD2-HG3 43.085 3.309 1.671
R117CD-HD3-HA 43.120 3.262 4.446
R117CD-HD3-HD2 43.120 3.264 3.319
R117CD-HD3-HD3 43.120 3.269 3.263
R117CD-HD3-HG3 43.120 3.264 1.664
R117CD-HD3-HG3 43.120 3.260 1.561
R117CG-HG2-HD2 27.309 1.673 3.310
R117CG-HG2-HG2 27.309 1.673 1.666
R117CG-HG2-HG3 27.309 1.672 1.554
R117CG-HG3-HD2 27.289 1.562 3.322
R117CG-HG3-HD3 27.289 1.568 3.261
R117CG-HG3-HG3 27.289 1.585 1.562
G118CA-HA2-HA2 44.656 3.914 3.931
G118CA-HA3-HA3 44.298 3.620 3.635
F120CA-HA-HA 55.704 5.248 5.248
F120CA-HA-HB2 55.704 5.247 2.971
F120CB-HB2-HA 43.671 2.978 5.251
V122CB-HB-HA 34.228 2.011 4.884
V122CB-HB-HG1 34.228 2.010 0.763
V122CG1-HG1-HB 22.354 0.769 1.999
V122CG1-HG1-HG1 22.354 0.760 0.751
Y123CA-HA-HA 56.896 5.029 5.042
L124CA-HA-HA 53.723 5.822 5.835
L124CA-HA-HB2 53.723 5.826 1.927
L124CA-HA-HB3 53.723 5.816 1.251
L124CA-HA-HD1 53.723 5.825 0.784
L124CB-HB2-HA 44.704 1.923 5.840
L124CB-HB2-HD1 44.704 1.913 0.785
L124CB-HB3-HA 44.630 1.253 5.831
L124CB-HB3-HD1 44.630 1.262 0.782
L124CD1-HD1-HA 25.280 0.783 5.842
L124CD1-HD1-HB2 25.280 0.784 1.930
L124CD1-HD1-HB3 25.280 0.781 1.259
L124CD1-HD1-HD1 25.280 0.785 0.786
L124CD1-HD1-HG 25.280 0.786 1.676
L124CD2-HD2-HD2 23.779 0.780 0.781
L124CD2-HD2-HG 23.779 0.782 1.673
L124CG-HG-HD1 29.146 1.684 0.783
I125CA-HA-HA 60.447 5.121 5.134
I125CD1-HD1-HD1 13.615 0.961 0.954
I125CG2-HG2-HB 17.868 0.911 2.070
I125CG2-HG2-HG2 17.868 0.908 0.911
D126CA-HA-HB2 53.516 5.128 2.554
D126CA-HA-HB3 53.516 5.129 2.777
D126CB-HB2-HA 43.467 2.544 5.120
D126CB-HB3-HA 43.455 2.763 5.143
V128CA-HA-HA 64.221 3.579 3.590
V128CB-HB-HB 31.660 2.190 2.185
V128CB-HB-HG1 31.660 2.188 1.045
V128CG1-HG1-HB 20.277 1.067 2.188
V128CG1-HG1-HG1 20.277 1.068 1.061
V128CG1-HG1-HG2 20.277 1.071 1.113
V128CG2-HG2-HB 22.878 1.110 2.197
V128CG2-HG2-HG2 22.878 1.106 1.099
M130CE-HE-HE 16.695 2.130 2.134
L131CD1-HD1-HD1 26.509 0.661 0.665
L131CD1-HD1-HD2 26.509 0.657 0.802
L131CD2-HD2-HD1 23.083 0.803 0.670
L131CD2-HD2-HD2 23.084 0.805 0.806
S132CA-HA-HA 57.410 4.363 4.376
S132CB-HB2-HA 64.955 4.102 4.377
H134CA-HA-HA 59.949 4.364 4.366
H134CA-HA-HB2 59.949 4.363 3.177
H134CA-HA-HB3 59.949 4.363 3.084
H134CB-HB2-HA 30.733 3.185 4.373
H134CB-HB2-HB2 30.733 3.188 3.177
H134CB-HB2-HB3 30.733 3.181 3.078
H134CB-HB3-HA 30.716 3.085 4.367
H134CB-HB3-HB2 30.716 3.092 3.164
H134CB-HB3-HB3 30.716 3.088 3.091
S135CA-HA-HA 62.439 4.295 4.296
F136CA-HA-HA 61.537 4.148 4.152
F136CA-HA-HB2 61.537 4.137 3.099
F136CB-HB2-HA 38.469 3.087 4.140
F136CB-HB2-HB2 38.469 3.083 3.084
N137CA-HA-HA 56.410 4.382 4.393
N137CA-HA-HB2 56.410 4.378 2.898
N137CA-HA-HB3 56.410 4.381 2.780
N137CB-HB2-HB2 38.065 2.895 2.894
N137CB-HB2-HB3 38.065 2.897 2.785
N137CB-HB3-HA 38.024 2.783 4.388
N137CB-HB3-HB2 38.024 2.781 2.895
N137CB-HB3-HB3 38.024 2.785 2.779
A138CA-HA-HA 55.106 4.078 4.076
A138CB-HB-HB 18.485 1.439 1.441
L139CA-HA-HA 57.886 3.693 3.695
L139CD1-HD1-HD1 25.783 0.521 0.525
L139CD1-HD1-HD2 25.783 0.521 0.201
L139CD1-HD1-HG 25.783 0.521 1.109
L139CD2-HD2-HD1 23.213 0.207 0.518
L139CD2-HD2-HD2 23.213 0.208 0.199
L139CD2-HD2-HG 23.213 0.198 1.099
L139CG-HG-HD1 26.890 1.096 0.521
L139CG-HG-HD2 26.890 1.098 0.200
L140CB-HB2-HB2 41.477 1.698 1.702
L140CB-HB2-HB3 41.477 1.703 1.426
L140CB-HB3-HB2 41.396 1.428 1.690
L140CB-HB3-HB3 41.396 1.428 1.434
L140CD1-HD1-HG 23.634 0.743 1.446
L140CD2-HD2-HD1 25.038 0.779 0.735
L140CD2-HD2-HD2 25.038 0.778 0.779
L140CG-HG-HD1 27.023 1.450 0.739
L140CG-HG-HD2 27.023 1.450 0.779
L140CG-HG-HG 27.023 1.458 1.455
K141CD-HD2-HA 28.685 1.653 3.999
K141CD-HD2-HB2 28.685 1.652 1.859
K141CD-HD2-HD2 28.685 1.651 1.653
K141CD-HD2-HE2 28.685 1.645 2.951
K141CD-HD2-HG2 28.685 1.655 1.472
K141CE-HE2-HB2 42.191 2.952 1.856
K141CE-HE2-HD2 42.191 2.949 1.649
K141CE-HE2-HE2 42.191 2.946 2.952
K141CE-HE2-HG2 42.191 2.950 1.477
K141CG-HG2-HA 24.655 1.473 3.987
K141CG-HG2-HB2 24.655 1.479 1.859
K141CG-HG2-HD2 24.655 1.476 1.649
K141CG-HG2-HE2 24.655 1.478 2.954
K141CG-HG2-HG2 24.655 1.477 1.478
T142CA-HA-HB 66.291 3.951 4.077
T142CB-HB-HA 68.116 4.075 3.915
L143CD1-HD1-HD2 23.467 0.516 0.461
L143CD1-HD1-HD2 23.467 0.517 0.511
L143CD1-HD1-HG 23.467 0.516 1.480
L143CD2-HD2-HD1 25.770 0.464 0.664
L143CD2-HD2-HD2 25.770 0.465 0.461
L143CD2-HD2-HG 25.768 0.464 1.484
L143CG-HG-HD2 26.611 1.479 0.461
L143CG-HG-HD2 26.611 1.482 0.517
L143CG-HG-HG 26.611 1.481 1.471
E144CA-HA-HA 58.899 3.911 3.919
E144CA-HA-HB2 58.899 3.910 2.078
E144CA-HA-HG2 58.899 3.911 2.461
E144CB-HB2-HB2 30.243 2.093 2.085
E144CB-HB2-HB2 30.243 1.965 1.982
E144CB-HB2-HB3 30.243 2.087 1.980
E144CB-HB2-HG2 30.243 2.092 2.464
E144CB-HB3-HA 30.243 1.963 3.916
E144CB-HB3-HG2 30.243 1.962 2.458
E144CG-HG2-HB2 36.644 2.459 2.086
E144CG-HG2-HB3 36.644 2.452 1.960
E144CG-HG2-HG2 36.644 2.459 2.451
E144CG-HG3-HG2 36.755 2.087 2.456
E144CG-HG3-HG3 36.755 2.078 2.078
E145CA-HA-HA 53.733 4.539 4.538
E145CA-HA-HB2 53.733 4.533 1.985
E145CA-HA-HB3 53.733 4.538 1.818
E145CA-HA-HG2 53.733 4.534 2.133
E145CB-HB2-HB2 30.264 1.984 1.988
E145CB-HB2-HG2 30.264 1.985 2.131
E145CB-HB3-HA 30.235 1.810 4.529
E145CB-HB3-HB3 30.235 1.816 1.813
E145CB-HB3-HG2 30.235 1.815 2.138
E145CG-HG2-HA 36.449 2.134 4.535
E145CG-HG2-HB2 36.449 2.133 1.987
E145CG-HG2-HB3 36.449 2.131 1.815
E145CG-HG2-HG2 36.449 2.135 2.141
E148CA-HA-HA 59.206 4.153 4.159
E148CA-HA-HG2 59.206 4.153 2.347
E148CB-HB2-HA 30.159 2.125 4.155
E148CB-HB2-HB2 30.159 2.124 2.111
E148CB-HB2-HG2 30.159 2.114 2.351
E148CG-HG2-HA 36.513 2.342 4.159
E148CG-HG2-HG2 36.512 2.349 2.345
H149CA-HA-HA 56.847 5.106 5.120
V150CA-HA-HA 60.473 5.410 5.411
V150CB-HB-HB 34.465 1.696 1.694
V150CB-HB-HG1 34.465 1.694 0.747
V150CB-HB-HG2 34.465 1.696 0.657
V150CG1-HG1-HA 22.674 0.749 5.408
V150CG1-HG1-HB 22.674 0.766 1.698
V150CG1-HG1-HG1 22.674 0.757 0.747
V150CG1-HG1-HG2 22.674 0.757 0.655
V150CG2-HG2-HA 22.674 0.646 5.411
V150CG2-HG2-HB 22.674 0.664 1.690
V150CG2-HG2-HG2 22.674 0.662 0.654
F152CA-HA-HA 58.043 5.182 5.180
F152CB-HB2-HA 41.612 3.108 5.196
L153CA-HA-HA 53.539 5.279 5.293
L153CA-HA-HD1 53.539 5.287 0.946
L153CA-HA-HD2 53.539 5.294 0.865
L153CD1-HD1-HD1 25.481 0.948 0.936
L153CD2-HD2-HB2 28.033 0.856 1.679
L153CD2-HD2-HD1 28.033 0.850 0.947
L153CD2-HD2-HD2 28.033 0.850 0.857
L153CG-HG-HA 28.033 0.856 5.298
L154CA-HA-HA 53.149 5.292 5.300
L154CA-HA-HD1 53.149 5.304 0.871
L154CB-HB2-HA 44.648 1.421 5.308
L154CB-HB2-HD1 44.648 1.419 0.880
L154CD1-HD1-HD1 25.381 0.884 0.892
L154CD1-HD1-HD2 25.383 0.878 1.044
L154CD2-HD2-HA 25.060 1.053 5.303
L154CD2-HD2-HD1 25.060 1.056 0.884
L154CD2-HD2-HD2 25.060 1.054 1.049
A155CA-HA-HA 50.300 6.181 6.189
A155CA-HA-HB 50.300 6.181 1.541
A155CB-HB-HA 22.647 1.543 6.189
A155CB-HB-HB 22.647 1.548 1.548
T156CA-HA-HA 61.043 5.425 5.435
T157CA-HA-HA 61.625 5.026 5.038
T157CA-HA-HB 61.624 5.033 4.492
T157CB-HB-HA 71.198 4.490 5.039
T157CG2-HG2-HG2 22.149 1.564 1.561
D158CA-HA-HA 51.625 5.027 5.036
D158CA-HA-HB2 51.625 5.032 1.718
D158CA-HA-HB3 51.625 5.029 2.053
D158CB-HB3-HA 41.167 2.070 5.030
Q160CA-HA-HA 57.718 4.154 4.163
Q160CB-HB2-HB2 27.738 2.108 2.113
Q160CB-HB2-HG2 27.738 2.112 2.440
Q160CG-HG2-HB2 34.486 2.440 2.116
Q160CG-HG2-HG2 34.486 2.438 2.435
K161CA-HA-HA 56.269 4.212 4.216
K161CB-HB2-HA 33.182 2.109 4.229
K161CB-HB2-HB2 33.182 2.117 2.121
K161CB-HB2-HD2 33.182 2.110 1.721
K161CD-HD2-HD2 29.176 1.712 1.716
K161CD-HD2-HE2 29.176 1.710 3.014
K161CD-HD2-HG2 29.176 1.714 1.432
K161CD-HD3-HD2 28.928 1.561 1.713
K161CD-HD3-HD3 28.928 1.565 1.557
K161CD-HD3-HE2 28.928 1.560 3.015
K161CE-HE2-HB2 42.300 3.024 2.102
K161CE-HE2-HD2 42.300 3.026 1.720
K161CE-HE2-HE2 42.300 3.014 3.013
K161CE-HE2-HG2 42.300 3.014 1.437
K161CE-HE2-HG3 42.300 3.010 1.337
K161CG-HG2-HD2 25.995 1.430 1.716
K161CG-HG2-HE2 25.995 1.423 3.014
K161CG-HG2-HG2 25.995 1.428 1.440
K161CG-HG3-HD2 25.933 1.331 1.719
K161CG-HG3-HE2 25.933 1.333 3.015
L162CA-HA-HB2 52.410 4.438 1.893
L162CA-HA-HD1 52.410 4.433 0.920
L162CA-HA-HG 52.410 4.438 1.169
L162CB-HB2-HA 41.903 1.912 4.448
L162CB-HB2-HB2 41.903 1.898 1.900
L162CB-HB2-HD1 41.903 1.901 0.923
L162CB-HB2-HG 41.903 1.899 1.157
L162CD1-HD1-HB2 26.730 0.926 1.910
L162CD1-HD1-HD1 26.730 0.925 0.923
L162CD2-HD2-HD2 25.095 0.928 0.924
T165CB-HB-HA 67.801 4.085 3.915
I166CA-HA-HA 62.582 3.840 3.845
I166CA-HA-HB 62.582 3.842 1.743
I166CB-HB-HA 37.914 1.755 3.841
I166CB-HB-HB 37.914 1.749 1.746
I166CB-HB-HD1 37.914 1.747 0.625
I166CB-HB-HG12 37.914 1.740 1.384
I166CB-HB-HG13 37.914 1.732 1.036
I166CB-HB-HG2 37.914 1.739 0.687
I166CD1-HD1-HB 12.059 0.630 1.754
I166CD1-HD1-HD1 12.059 0.625 0.619
I166CD1-HD1-HG12 12.059 0.629 1.389
I166CD1-HD1-HG13 12.059 0.626 1.033
I166CG1-HG12-HB 29.054 1.390 1.737
I166CG1-HG12-HD1 29.054 1.385 0.622
I166CG1-HG12-HG12 29.054 1.372 1.385
I166CG1-HG12-HG13 29.051 1.383 1.031
I166CG1-HG12-HG2 29.054 1.382 0.686
I166CG1-HG13-HB 29.029 1.035 1.740
I166CG1-HG13-HD1 29.029 1.035 0.629
I166CG1-HG13-HG12 29.029 1.035 1.388
I166CG2-HG2-HB 16.783 0.684 1.735
I166CG2-HG2-HG12 16.783 0.685 1.381
I166CG2-HG2-HG13 16.783 0.684 1.035
I166CG2-HG2-HG2 16.783 0.693 0.693
L167CD1-HD1-HD1 23.595 0.723 0.722
L167CD1-HD1-HD2 23.595 0.728 0.779
L167CD1-HD1-HG 23.595 0.725 1.445
L167CD2-HD2-HD1 25.280 0.789 0.721
L167CD2-HD2-HD2 25.280 0.783 0.781
L167CG-HG-HD1 26.580 1.456 0.722
L167CG-HG-HD2 26.580 1.449 0.792
L167CG-HG-HG 26.580 1.456 1.445
S168CA-HA-HA 60.574 4.212 4.240
S168CA-HA-HB2 60.574 4.211 3.947
S168CB-HB2-HA 63.441 3.961 4.225
S168CB-HB2-HB2 63.441 3.955 3.966
R169CA-HA-HA 55.457 4.581 4.588
R169CA-HA-HD2 55.457 4.584 3.061
R169CB-HB2-HB2 31.661 2.136 2.130
R169CB-HB2-HD2 31.661 2.127 3.069
R169CB-HB3-HB3 31.634 1.723 1.719
R169CB-HB3-HD2 31.634 1.722 3.072
R169CD-HD2-HB3 43.060 3.063 1.717
R169CD-HD2-HD2 43.060 3.065 3.069
R169CG-HG2-HD2 27.591 1.692 3.061
R169CG-HG2-HG2 27.591 1.694 1.694
C170CA-HA-HB2 57.612 4.670 2.580
C170CB-HB2-HB2 30.714 2.602 2.600
L171CA-HA-HB2 54.498 4.182 1.074
L171CA-HA-HB3 54.498 4.184 0.684
L171CA-HA-HD1 54.498 4.182 0.531
L171CB-HB2-HA 41.736 1.088 4.170
L171CB-HB2-HD1 41.736 1.086 0.549
L171CB-HB3-HA 41.697 0.694 4.175
L171CB-HB3-HD1 41.697 0.679 0.547
L171CD1-HD1-HA 24.215 0.539 4.176
L171CD1-HD1-HB2 24.215 0.533 1.074
L171CD1-HD1-HD1 24.215 0.542 0.544
L171CD1-HD1-HG 24.215 0.535 0.830
L171CD2-HD2-HD2 24.129 0.523 0.513
L171CG-HG-HB2 26.634 0.832 1.071
L171CG-HG-HD1 26.634 0.840 0.539
L171CG-HG-HD2 26.634 0.837 0.513
Q172CB-HB2-HB2 30.901 1.859 1.865
Q172CB-HB2-HB3 30.901 1.864 1.633
Q172CB-HB2-HG2 30.901 1.854 2.106
Q172CB-HB3-HB2 31.003 1.619 1.860
Q172CB-HB3-HB3 31.003 1.627 1.623
Q172CB-HB3-HG2 31.003 1.618 2.100
Q172CG-HG2-HA 34.005 2.103 4.953
Q172CG-HG2-HB2 34.005 2.101 1.859
Q172CG-HG2-HB3 34.005 2.101 1.619
H174CA-HA-HA 55.197 5.271 5.277
H174CB-HB2-HA 31.512 3.170 5.280
H174CB-HB3-HA 31.596 2.871 5.274
H174CB-HB3-HB3 31.596 2.880 2.894
L175CD1-HD1-HD1 26.108 1.069 1.069
L175CD1-HD1-HD2 26.108 1.071 0.845
L175CD1-HD1-HG 26.108 1.069 1.784
L175CD2-HD2-HD1 26.201 0.848 1.069
L175CD2-HD2-HD2 26.201 0.845 0.843
L175CD2-HD2-HG 26.201 0.842 1.775
L175CG-HG-HD1 30.429 1.784 1.069
L175CG-HG-HD2 30.429 1.789 0.843
L175CG-HG-HG 30.429 1.785 1.754
K176CB-HB2-HA 35.694 2.040 4.582
K176CB-HB3-HA 35.696 1.849 4.577
K176CD-HD2-HB2 29.437 1.720 2.045
K176CD-HD2-HB3 29.437 1.733 1.818
K176CD-HD2-HD2 29.437 1.722 1.727
K176CD-HD2-HE2 29.437 1.720 2.874
K176CD-HD2-HE3 29.437 1.727 2.940
K176CD-HD2-HG2 29.437 1.720 1.580
K176CE-HE2-HB2 41.992 2.871 2.043
K176CE-HE2-HE2 41.992 2.942 2.948
K176CE-HE2-HE2 41.992 2.871 2.873
K176CE-HE2-HE3 41.992 2.871 2.953
K176CE-HE3-HB2 41.992 2.935 2.042
K176CE-HE3-HB3 41.992 2.935 1.837
K176CE-HE3-HE2 41.992 2.942 2.871
K176CG-HG2-HA 25.130 1.590 4.577
K176CG-HG2-HB2 25.130 1.591 2.059
K176CG-HG2-HE2 25.130 1.588 2.861
K176CG-HG2-HE3 25.130 1.580 2.941
K176CG-HG2-HG2 25.130 1.586 1.602
A177CB-HB-HB 19.163 1.443 1.439
L178CD1-HD1-HD1 26.429 0.927 0.921
L178CD2-HD2-HD2 22.983 0.902 0.905
D179CA-HA-HB2 53.347 4.707 2.939
D179CA-HA-HB3 53.347 4.705 2.737
D179CB-HB2-HB3 42.809 2.938 2.735
D179CB-HB3-HB2 42.750 2.731 2.948
D179CB-HB3-HB3 42.750 2.733 2.739
V180CA-HA-HA 66.644 3.547 3.543
V180CB-HB-HB 31.937 2.104 2.100
V180CB-HB-HG1 31.937 2.103 1.040
V180CB-HB-HG2 31.937 2.107 0.963
V180CG1-HG1-HB 22.660 1.043 2.102
V180CG1-HG1-HG1 22.660 1.040 1.039
V180CG1-HG1-HG2 22.660 1.040 0.964
V180CG2-HG2-HB 21.008 0.966 2.104
V180CG2-HG2-HG1 21.010 0.957 1.035
V180CG2-HG2-HG2 21.010 0.960 0.956
Q182CA-HA-HA 59.206 4.155 4.144
Q182CA-HA-HG2 59.206 4.153 2.386
Q182CB-HB2-HG2 30.153 1.909 2.385
Q182CG-HG2-HG2 35.209 2.381 2.362
Q182CG-HG3-HB2 35.240 2.619 1.904
Q182CG-HG3-HG2 35.240 2.616 2.381
I183CB-HB-HA 37.850 1.888 3.413
I183CD1-HD1-HD1 12.422 0.638 0.631
I183CG2-HG2-HB 18.054 0.713 1.870
I183CG2-HG2-HG2 18.054 0.708 0.701
R184CA-HA-HA 60.797 3.484 3.485
H185CA-HA-HA 59.859 4.171 4.180
H185CA-HA-HB2 59.859 4.160 3.196
H185CA-HA-HB3 59.859 4.159 3.296
H185CB-HB2-HB2 29.933 3.199 3.182
H185CB-HB2-HB3 29.933 3.205 3.313
L187CD1-HD1-HD1 21.749 0.566 0.557
L187CD1-HD1-HD2 21.749 0.563 0.679
L187CD1-HD1-HG 21.749 0.563 1.763
L187CD2-HD2-HD1 25.513 0.674 0.563
L187CD2-HD2-HD2 25.513 0.679 0.678
L187CD2-HD2-HG 25.513 0.672 1.773
L187CG-HG-HD2 26.283 1.783 0.677
L187CG-HG-HG 26.282 1.782 1.770
E188CA-HA-HA 60.088 3.165 3.167
I190CD1-HD1-HD1 15.206 0.002 -0.002
I190CG2-HG2-HG2 14.588 0.373 0.369
L191CD1-HD1-HD1 22.470 0.570 0.564
L191CD1-HD1-HD2 22.470 0.572 0.439
L191CD1-HD1-HG 22.470 0.569 1.715
L191CD2-HD2-HD1 26.971 0.437 0.560
L191CD2-HD2-HD2 26.971 0.442 0.441
L191CD2-HD2-HG 26.971 0.444 1.706
N192CA-HA-HA 55.951 4.595 4.594
N192CA-HA-HB2 55.951 4.600 2.740
N192CB-HB2-HB2 37.798 2.748 2.750
H195CA-HA-HA 56.620 4.204 4.211
H195CB-HB2-HB2 26.171 3.380 3.381
H195CB-HB2-HB3 26.171 3.366 3.519
H195CB-HB3-HB2 26.129 3.516 3.377
H195CB-HB3-HB3 26.129 3.514 3.525
I196CA-HA-HA 60.096 4.287 4.299
I196CB-HB-HB 39.412 1.644 1.638
I196CD1-HD1-HD1 13.157 0.819 0.814
I196CG2-HG2-HG2 17.097 0.986 0.981
A197CA-HA-HA 52.807 4.295 4.305
A197CA-HA-HB 52.807 4.305 1.400
A197CB-HB-HB 19.262 1.392 1.398
H198CA-HA-HA 54.356 5.242 5.244
R201CB-HB2-HB2 29.627 1.914 1.908
R201CB-HB2-HD2 29.627 1.924 3.195
R201CB-HB2-HD3 29.627 1.911 3.311
R201CB-HB2-HG2 29.627 1.911 1.646
R201CD-HD2-HB2 43.288 3.195 1.898
R201CD-HD2-HD2 43.288 3.188 3.187
R201CD-HD2-HD3 43.288 3.200 3.319
R201CD-HD2-HG2 43.288 3.192 1.664
R201CD-HD3-HB2 43.281 3.307 1.908
R201CD-HD3-HD2 43.281 3.307 3.182
R201CD-HD3-HD3 43.281 3.310 3.319
R201CD-HD3-HG2 43.281 3.314 1.664
R201CG-HG2-HB2 27.057 1.668 1.905
R201CG-HG2-HD2 27.057 1.646 3.198
R201CG-HG2-HD3 27.057 1.656 3.320
R201CG-HG2-HG2 27.057 1.651 1.648
A202CA-HA-HA 55.302 3.849 3.855
A202CA-HA-HB 55.302 3.852 1.401
A202CB-HB-HB 18.842 1.393 1.394
L203CA-HA-HA 57.556 3.957 3.966
L203CA-HA-HB2 57.556 3.950 2.016
L203CB-HB2-HA 41.259 2.006 3.938
L203CB-HB2-HD2 41.259 2.011 0.648
L203CD1-HD1-HG 22.752 0.581 1.789
L203CD2-HD2-HD1 25.327 0.654 0.567
L203CD2-HD2-HD2 25.327 0.653 0.652
L203CD2-HD2-HG 25.327 0.661 1.778
Q204CA-HA-HA 59.404 3.830 3.829
Q204CB-HB2-HG2 28.322 2.187 2.368
Q204CG-HG2-HB2 34.295 2.358 2.200
Q204CG-HG2-HG2 34.295 2.358 2.350
L205CD2-HD2-HD2 25.622 0.851 0.835
L206CD1-HD1-HB2 25.809 0.788 1.775
L206CD1-HD1-HD1 25.809 0.781 0.775
L206CD2-HD2-HB2 24.217 0.729 1.772
L206CD2-HD2-HD2 24.217 0.736 0.736
A207CA-HA-HA 55.198 3.825 3.827
A207CA-HA-HB 55.198 3.815 1.441
A207CB-HB-HA 19.094 1.445 3.831
A207CB-HB-HB 19.094 1.448 1.449
R208CA-HA-HA 59.015 4.015 4.015
R208CB-HB2-HA 30.433 1.914 4.019
R208CB-HB2-HB2 30.433 1.917 1.908
R208CB-HB2-HD2 30.433 1.921 3.214
R208CD-HD2-HD2 43.384 3.210 3.208
R208CG-HG2-HD2 27.692 1.836 3.208
R208CG-HG2-HG2 27.692 1.826 1.836
A209CA-HA-HA 53.993 4.220 4.232
A209CA-HA-HB 53.993 4.212 1.488
A209CB-HB-HA 19.228 1.474 4.229
A209CB-HB-HB 19.228 1.475 1.471
A210CA-HA-HA 53.500 3.946 3.943
A210CA-HA-HB 53.502 3.943 1.643
A210CB-HB-HA 18.985 1.646 3.948
A210CB-HB-HB 18.985 1.643 1.649
E211CA-HA-HA 57.088 3.963 3.964
E211CB-HB2-HG2 28.292 2.239 2.249
E211CB-HB2-HG3 28.292 2.239 2.356
E211CB-HB3-HB3 28.215 1.916 1.911
E211CB-HB3-HG2 28.215 1.916 2.251
E211CB-HB3-HG3 28.215 1.923 2.348
E211CG-HG2-HA 36.139 2.251 3.960
E211CG-HG2-HB3 36.139 2.251 1.917
E211CG-HG2-HG2 36.139 2.249 2.242
E211CG-HG2-HG3 36.139 2.251 2.347
E211CG-HG3-HA 36.123 2.362 3.956
E211CG-HG3-HB2 36.123 2.351 2.240
E211CG-HG3-HB3 36.123 2.355 1.917
E211CG-HG3-HG3 36.123 2.346 2.346
G212CA-HA2-HA2 46.179 4.209 4.194
G212CA-HA2-HA3 46.179 4.210 4.114
G212CA-HA3-HA2 46.053 4.101 4.199
G212CA-HA3-HA3 46.053 4.106 4.101
L214CD1-HD1-HD1 23.337 0.820 0.813
L214CD1-HD1-HD2 23.337 0.825 0.941
L214CD2-HD2-HD1 26.562 0.947 0.816
L214CD2-HD2-HD2 26.562 0.940 0.922
D216CA-HA-HA 57.333 4.518 4.524
D216CB-HB2-HA 39.445 2.708 4.521
D216CB-HB2-HB2 39.445 2.707 2.700
A217CA-HA-HA 55.547 3.926 3.936
A217CA-HA-HB 55.547 3.936 1.496
A217CB-HB-HA 18.800 1.487 3.938
A217CB-HB-HB 18.800 1.494 1.498
S219CA-HA-HA 62.106 4.411 4.419
S219CA-HA-HB2 62.106 4.425 4.085
S219CB-HB2-HA 62.850 4.075 4.443
S219CB-HB2-HB2 62.850 4.077 4.076
L220CD1-HD1-HG 22.793 0.806 1.845
L220CD2-HD2-HD1 25.674 0.736 0.813
L220CD2-HD2-HD2 25.674 0.738 0.725
L220CD2-HD2-HG 25.674 0.738 1.853
L220CG-HG-HD1 26.814 1.857 0.818
L220CG-HG-HD2 26.814 1.856 0.746
L220CG-HG-HG 26.814 1.849 1.849
T221CA-HA-HA 68.592 3.664 3.665
T221CA-HA-HB 68.592 3.659 4.267
D222CA-HA-HA 58.255 4.577 4.576
D222CB-HB2-HA 40.993 2.959 4.585
D222CB-HB2-HB2 40.993 2.970 2.946
Q223CA-HA-HA 59.014 3.991 3.994
Q223CB-HB2-HA 28.498 2.222 4.002
Q223CB-HB2-HB2 28.498 2.225 2.235
Q223CB-HB2-HG2 28.498 2.215 2.493
Q223CG-HG2-HB2 34.276 2.488 2.224
Q223CG-HG2-HG2 34.276 2.488 2.492
A224CA-HA-HA 55.470 4.102 4.084
A224CB-HB-HB 18.858 1.544 1.533
I225CD1-HD1-HD1 15.069 0.844 0.840
I225CG2-HG2-HB 17.503 0.765 1.914
I225CG2-HG2-HG2 17.503 0.763 0.762
A226CA-HA-HA 54.646 4.154 4.164
A226CA-HA-HB 54.646 4.154 1.522
A226CB-HB-HB 18.551 1.518 1.517
S227CA-HA-HB2 60.297 4.435 4.022
S227CB-HB2-HA 63.871 4.019 4.443
S227CB-HB2-HB2 63.871 4.024 4.021
G228CA-HA2-HA2 45.417 4.403 4.409
G228CA-HA2-HA3 45.417 4.400 4.027
G228CA-HA3-HA2 45.267 4.015 4.417
G228CA-HA3-HA2 45.401 4.016 4.411
G228CA-HA3-HA3 45.267 4.028 4.019
G228CA-HA3-HA3 45.401 4.011 4.012
D229CA-HA-HA 54.850 4.518 4.526
D229CA-HA-HB2 54.850 4.518 2.957
D229CA-HA-HB3 54.850 4.524 2.719
D229CB-HB2-HA 40.157 2.953 4.522
D229CB-HB2-HB2 40.157 2.965 2.960
D229CB-HB2-HB3 40.157 2.958 2.725
D229CB-HB3-HB2 40.098 2.708 2.949
D229CB-HB3-HB3 40.098 2.702 2.720
G230CA-HA2-HA2 45.564 4.437 4.437
G230CA-HA2-HA3 45.564 4.438 3.554
G230CA-HA3-HA2 45.781 3.545 4.432
G230CA-HA3-HA3 45.781 3.556 3.560
Q231CB-HB2-HB2 31.431 1.996 1.998
Q231CB-HB2-HG2 31.431 1.992 2.261
Q231CB-HB2-HG3 31.431 1.999 2.162
Q231CG-HG2-HB2 33.304 2.264 1.986
Q231CG-HG2-HG2 33.304 2.263 2.254
Q231CG-HG2-HG3 33.304 2.267 2.154
Q231CG-HG3-HB2 33.293 2.158 1.986
Q231CG-HG3-HG3 33.293 2.153 2.146
V232CA-HA-HA 61.932 4.042 4.048
V232CB-HB-HB 30.436 2.122 2.116
V232CB-HB-HG1 30.436 2.125 0.735
V232CB-HB-HG1 30.436 2.132 0.783
V232CG1-HG1-HB 22.779 0.741 2.105
V232CG1-HG1-HG1 22.779 0.750 0.776
V232CG2-HG2-HB 22.779 0.790 2.106
V232CG2-HG2-HG2 22.773 0.797 0.796
S233CA-HA-HB2 55.497 4.682 4.288
S233CB-HB2-HB2 66.140 4.288 4.295
Q235CA-HA-HA 59.464 4.008 4.012
Q235CA-HA-HG2 59.464 4.000 2.402
Q235CB-HB2-HA 28.121 1.990 3.999
Q235CB-HB2-HB2 28.121 1.998 1.996
Q235CB-HB2-HG2 28.121 1.990 2.400
Q235CG-HG2-HA 33.666 2.407 4.004
Q235CG-HG2-HB2 33.666 2.397 1.995
Q235CG-HG2-HG2 33.666 2.403 2.402
A236CA-HA-HA 54.944 4.160 4.163
A236CB-HB-HB 18.565 1.507 1.502
V237CA-HA-HA 66.799 3.673 3.681
V237CA-HA-HA 66.932 3.664 3.679
V237CB-HB-HB 31.926 2.190 2.187
V237CB-HB-HB 31.819 2.094 2.073
V237CG1-HG1-HG1 22.765 0.984 0.988
V237CG1-HG1-HG2 22.765 0.983 1.072
V237CG2-HG2-HB 24.514 1.073 2.084
V237CG2-HG2-HG1 24.514 1.082 0.986
V237CG2-HG2-HG2 24.514 1.065 1.067
S238CA-HA-HA 62.135 4.098 4.104
S238CB-HB2-HA 62.619 3.893 4.116
S238CB-HB2-HB2 62.619 3.891 3.911
A239CA-HA-HA 54.427 4.211 4.217
A239CA-HA-HB 54.427 4.203 1.490
A239CB-HB-HA 18.383 1.501 4.211
A239CB-HB-HB 18.383 1.501 1.495
M240CA-HA-HA 57.856 4.228 4.234
M240CA-HA-HB2 57.856 4.222 2.224
M240CA-HA-HG2 57.856 4.231 2.564
M240CB-HB2-HA 33.835 2.241 4.229
M240CB-HB2-HB2 33.835 2.239 2.254
M240CB-HB2-HG2 33.835 2.240 2.566
M240CE-HE-HE 17.590 2.093 2.093
M240CG-HG2-HA 31.515 2.566 4.229
M240CG-HG2-HB2 31.515 2.567 2.230
M240CG-HG2-HG2 31.515 2.566 2.560
L241CD1-HD1-HA 26.679 0.746 4.338
L241CD1-HD1-HD1 26.679 0.747 0.756
L241CD1-HD1-HD2 26.679 0.742 0.812
L241CD1-HD1-HG 26.679 0.753 1.861
L241CD2-HD2-HD2 22.417 0.814 0.814
L241CD2-HD2-HG 22.417 0.820 1.853
G242CA-HA2-HA2 46.599 3.760 3.761
G242CA-HA3-HA3 46.443 3.758 3.762
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 1H . . . . . . . . . . 50595 8
2 . . N 15 15N . . . . . . . . . . 50595 8
stop_
save_