#########################
# Spectral peak lists #
#########################
save_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_1
_Spectral_peak_list.Entry_ID 50595
_Spectral_peak_list.ID 1
_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 1
_Spectral_peak_list.Experiment_name '2D 1H-15N HSQC'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_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
?-? 119.954 8.076
Y3N-HN 121.699 7.992
Q4N-HN 121.973 8.343
V5N-HN 120.902 8.008
W10N-HN 116.714 8.120
R11N-HN 123.580 6.922
Q13N-HN 120.964 9.331
T14N-HN 109.068 7.847
F15N-HN 120.211 8.730
A16N-HN 119.472 7.977
D17N-HN 114.794 7.376
V18N-HN 121.727 7.392
V19N-HN 128.484 7.973
G20N-HN 113.726 8.673
E22N-HN 121.421 9.603
V24N-HN 121.249 7.043
L25N-HN 118.218 8.061
T26N-HN 114.537 8.299
A27N-HN 123.491 7.059
L28N-HN 119.564 8.207
A29N-HN 120.843 8.482
N30N-HN 116.818 8.197
G31N-HN 106.256 7.825
L32N-HN 120.902 8.129
S33N-HN 113.981 8.240
L34N-HN 118.921 7.646
G35N-HN 108.688 7.873
R36N-HN 122.642 8.297
I37N-HN 123.151 8.032
H38N-HN 129.018 8.209
A40N-HN 121.503 7.728
Y41N-HN 122.768 8.943
L42N-HN 124.191 8.948
F43N-HN 126.529 9.638
S44N-HN 118.818 9.332
G45N-HN 107.468 7.455
T46N-HN 113.941 8.474
R47N-HN 122.077 8.355
G48N-HN 115.271 10.516
V49N-HN 116.071 7.925
G50N-HN 112.278 9.455
K51N-HN 124.942 10.783
T52N-HN 106.531 8.298
S53N-HN 119.728 7.751
I54N-HN 122.017 8.132
A55N-HN 121.263 7.485
R56N-HN 117.504 8.043
L57N-HN 118.988 7.440
L58N-HN 121.765 8.249
A59N-HN 120.516 8.332
K60N-HN 118.730 8.218
G61N-HN 108.215 8.414
L62N-HN 115.360 8.206
N63N-HN 112.260 7.176
C64N-HN 125.611 7.375
E65N-HN 135.049 9.799
T66N-HN 112.531 9.132
G67N-HN 110.543 7.320
I68N-HN 117.636 7.841
T69N-HN 123.957 8.608
A70N-HN 124.856 8.385
T71N-HN 111.518 9.139
C73N-HN 127.204 8.787
G74N-HN 114.811 9.316
V75N-HN 117.571 8.953
C76N-HN 124.820 7.458
D77N-HN 120.725 8.692
N78N-HN 119.148 7.895
C79N-HN 121.839 8.940
R80N-HN 117.660 8.389
E81N-HN 118.036 8.474
I82N-HN 120.895 8.169
E83N-HN 121.701 7.834
Q84N-HN 113.882 7.615
G85N-HN 108.969 7.837
R86N-HN 117.438 8.172
F87N-HN 123.350 8.442
V88N-HN 127.476 8.461
L90N-HN 122.253 7.438
I91N-HN 129.710 9.000
E92N-HN 127.162 8.573
I93N-HN 125.665 9.306
D94N-HN 127.865 8.842
A95N-HN 126.935 8.454
A96N-HN 117.187 8.009
S97N-HN 112.577 7.203
V101N-HN 119.791 7.813
E102N-HN 121.698 8.571
D103N-HN 120.506 8.030
T104N-HN 114.518 8.121
R105N-HN 121.638 7.928
D106N-HN 119.936 8.156
L107N-HN 121.110 8.098
L108N-HN 117.415 8.111
D109N-HN 119.891 7.825
V111N-HN 119.834 7.615
Y113N-HN 119.289 7.355
A116N-HN 128.303 10.055
R117N-HN 119.833 10.111
G118N-HN 108.594 9.851
R119N-HN 119.675 8.164
F120N-HN 113.600 8.354
K121N-HN 122.585 9.195
V122N-HN 125.990 8.817
Y123N-HN 126.165 8.428
L124N-HN 129.239 9.305
I125N-HN 124.768 8.993
D126N-HN 127.660 9.048
E127N-HN 121.668 8.157
V128N-HN 114.862 8.096
H129N-HN 115.356 8.015
M130N-HN 118.320 7.959
L131N-HN 119.663 6.968
S132N-HN 114.739 8.289
S135N-HN 118.273 7.901
F136N-HN 122.664 8.971
N137N-HN 117.428 8.188
A138N-HN 122.645 7.519
L139N-HN 121.073 8.182
L140N-HN 119.041 8.443
K141N-HN 116.524 7.651
T142N-HN 115.519 7.478
L143N-HN 118.152 7.996
E144N-HN 117.662 7.752
E145N-HN 116.830 6.978
E148N-HN 121.408 8.862
H149N-HN 110.422 7.834
V150N-HN 120.343 7.176
K151N-HN 122.241 8.526
F152N-HN 119.264 8.771
L153N-HN 124.358 9.756
L154N-HN 123.473 9.506
A155N-HN 124.320 8.993
T156N-HN 114.512 8.612
T157N-HN 118.749 8.943
D158N-HN 122.720 8.797
Q160N-HN 116.013 8.262
K161N-HN 117.252 7.500
L162N-HN 120.173 7.485
I166N-HN 117.634 6.932
L167N-HN 120.357 7.553
S168N-HN 109.398 8.136
R169N-HN 119.049 7.328
C170N-HN 113.954 7.189
L171N-HN 124.158 7.808
Q172N-HN 124.509 8.168
Q172NE2-HE21 110.381 7.321
Q172NE2-HE22 110.374 6.598
F173N-HN 122.285 8.941
H174N-HN 124.425 9.020
L175N-HN 129.729 8.981
K176N-HN 120.737 9.086
A177N-HN 123.378 8.440
L178N-HN 122.553 8.442
D179N-HN 120.149 8.666
V180N-HN 120.352 8.209
E181N-HN 119.460 8.349
Q182N-HN 118.568 7.805
Q182NE2-HE21 112.091 7.758
Q182NE2-HE22 112.151 6.924
I183N-HN 118.087 7.735
R184N-HN 120.731 8.737
H185N-HN 115.859 8.469
Q186N-HN 118.886 7.636
L187N-HN 117.934 8.428
E188N-HN 118.728 8.072
H189N-HN 117.110 7.620
I190N-HN 119.027 8.035
L191N-HN 117.193 8.322
N192N-HN 117.442 8.201
E193N-HN 122.672 8.150
E194N-HN 115.073 7.902
H195N-HN 115.109 7.682
I196N-HN 120.895 8.326
A197N-HN 133.551 8.924
H198N-HN 115.043 7.930
E199N-HN 118.247 7.316
A202N-HN 120.279 7.052
L203N-HN 113.106 7.302
Q204N-HN 117.889 7.472
L205N-HN 118.129 7.771
L206N-HN 119.640 7.892
A207N-HN 118.152 8.110
R208N-HN 116.665 7.848
A209N-HN 122.012 7.856
A210N-HN 117.825 7.411
E211N-HN 115.915 7.649
G212N-HN 104.012 8.949
S213N-HN 112.886 7.299
L214N-HN 131.953 8.961
R215N-HN 118.080 8.339
D216N-HN 121.564 8.364
A217N-HN 122.136 8.159
L218N-HN 120.055 8.519
S219N-HN 115.593 8.036
L220N-HN 122.242 8.708
T221N-HN 118.247 8.012
D222N-HN 122.233 8.374
Q223N-HN 120.202 7.852
A224N-HN 125.118 8.506
I225N-HN 119.913 8.505
A226N-HN 120.117 7.604
S227N-HN 112.786 8.078
G228N-HN 110.108 7.917
D229N-HN 120.196 8.146
G230N-HN 105.280 8.714
Q231N-HN 116.453 7.502
V232N-HN 122.471 8.545
S233N-HN 118.892 7.633
T234N-HN 121.560 9.529
A236N-HN 121.977 7.811
V237N-HN 117.446 8.162
S238N-HN 115.108 8.723
A239N-HN 122.119 7.630
M240N-HN 116.959 7.571
L241N-HN 118.207 7.794
G242N-HN 113.427 7.584
;
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 1
2 . . N 15 15N . . . . . . . . . . 50595 1
stop_
save_
#########################
# Spectral peak lists #
#########################
save_peak_list_2
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_2
_Spectral_peak_list.Entry_ID 50595
_Spectral_peak_list.ID 2
_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 2
_Spectral_peak_list.Experiment_name '3D HNCA'
_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
?-?-? 119.950 58.650 8.071
?-?-? 119.950 57.245 8.065
Y3N-S2CA-Y3HN 121.666 58.259 7.984
Y3N-CA-HN 121.666 57.616 7.992
Q4N-Y3CA-Q4HN 121.973 57.586 8.341
Q4N-CA-HN 121.956 55.802 8.340
V5N-Q4CA-V5HN 120.902 55.839 8.011
V5N-CA-HN 120.902 63.037 8.015
W10N-CA-HN 116.714 58.299 8.122
R11N-W10CA-R11HN 123.554 58.359 6.925
R11N-CA-HN 123.578 54.319 6.925
Q13N-P12CA-Q13HN 120.964 63.117 9.330
Q13N-CA-HN 120.964 56.241 9.327
T14N-Q13CA-T14HN 109.068 56.258 7.846
T14N-CA-HN 109.029 59.795 7.843
F15N-T14CA-F15HN 120.230 59.720 8.731
F15N-CA-HN 120.211 60.549 8.732
A16N-F15CA-A16HN 119.487 60.619 7.980
A16N-CA-HN 119.472 54.094 7.979
D17N-A16CA-D17HN 114.810 54.067 7.381
D17N-CA-HN 114.816 54.954 7.380
V18N-D17CA-V18HN 121.715 54.926 7.394
V18N-CA-HN 121.715 63.328 7.390
V19N-V18CA-V19HN 128.456 63.328 7.982
V19N-CA-HN 128.480 62.208 7.982
G20N-V19CA-G20HN 113.695 62.194 8.676
G20N-CA-HN 113.695 45.641 8.676
E22N-Q21CA-E22HN 121.421 53.440 9.603
E22N-CA-HN 121.451 61.566 9.602
V24N-H23CA-V24HN 121.249 59.142 7.036
V24N-CA-HN 121.249 64.442 7.045
L25N-V24CA-L25HN 118.218 64.492 8.057
L25N-CA-HN 118.218 58.038 8.056
T26N-L25CA-T26HN 114.537 58.068 8.296
T26N-CA-HN 114.537 66.450 8.306
A27N-T26CA-A27HN 123.491 66.380 7.061
A27N-CA-HN 123.491 55.237 7.064
L28N-A27CA-L28HN 119.564 55.207 8.204
L28N-CA-HN 119.564 57.727 8.204
A29N-L28CA-A29HN 120.843 57.707 8.492
A29N-CA-HN 120.843 55.659 8.485
N30N-A29CA-N30HN 116.818 55.588 8.196
N30N-CA-HN 116.818 56.402 8.196
G31N-N30CA-G31HN 106.256 56.462 7.827
G31N-CA-HN 106.256 48.030 7.832
L32N-G31CA-L32HN 120.902 47.969 8.135
L32N-CA-HN 120.902 58.349 8.128
S33N-L32CA-S33HN 113.997 58.329 8.241
S33N-CA-HN 113.997 61.531 8.241
L34N-S33CA-L34HN 118.921 61.501 7.651
L34N-CA-HN 118.921 55.056 7.649
G35N-L34CA-G35HN 108.688 55.016 7.877
G35N-CA-HN 108.688 46.353 7.877
R36N-G35CA-R36HN 122.642 46.393 8.295
R36N-CA-HN 122.642 54.976 8.300
I37N-R36CA-I37HN 123.151 54.876 8.034
I37N-CA-HN 123.151 58.959 8.036
H38N-I37CA-H38HN 129.043 59.012 8.212
H38N-CA-HN 129.043 56.502 8.207
A40N-H39CA-A40HN 121.512 57.857 7.729
A40N-CA-HN 121.503 51.543 7.735
Y41N-A40CA-Y41HN 122.768 51.493 8.947
Y41N-CA-HN 122.768 56.793 8.942
L42N-Y41CA-L42HN 124.153 56.803 8.950
L42N-CA-HN 124.153 53.119 8.947
F43N-L42CA-F43HN 126.529 53.069 9.645
F43N-CA-HN 126.529 56.683 9.637
S44N-F43CA-S44HN 118.818 56.703 9.334
S44N-CA-HN 118.818 56.402 9.331
G45N-S44CA-G45HN 107.468 56.392 7.463
G45N-CA-HN 107.468 44.727 7.463
T46N-G45CA-T46HN 113.941 44.747 8.472
T46N-CA-HN 113.981 62.758 8.478
R47N-T46CA-R47HN 122.084 62.773 8.353
R47N-CA-HN 122.077 58.229 8.352
G48N-R47CA-G48HN 115.277 58.242 10.519
G48N-CA-HN 115.271 45.731 10.514
V49N-G48CA-V49HN 116.071 45.761 7.932
V49N-CA-HN 116.071 62.736 7.925
G50N-V49CA-G50HN 112.247 62.696 9.457
G50N-CA-HN 112.247 45.641 9.457
K51N-G50CA-K51HN 124.942 45.390 10.793
K51N-CA-HN 124.942 61.481 10.779
T52N-K51CA-T52HN 106.531 61.441 8.305
T52N-CA-HN 106.531 65.195 8.302
S53N-T52CA-S53HN 119.728 65.185 7.759
S53N-CA-HN 119.728 61.581 7.756
I54N-S53CA-I54HN 122.017 61.621 8.139
I54N-CA-HN 122.017 64.653 8.135
A55N-I54CA-A55HN 121.237 64.691 7.489
A55N-CA-HN 121.263 55.287 7.490
R56N-A55CA-R56HN 117.504 55.328 8.051
R56N-CA-HN 117.504 60.588 8.048
L57N-R56CA-L57CA 119.006 60.598 7.448
L57N-CA-HN 119.006 57.797 7.449
L58N-L57CA-L58HN 121.765 57.737 8.253
L58N-CA-HN 121.765 58.309 8.248
A59N-L58CA-A59HN 120.516 58.309 8.335
A59N-CA-HN 120.516 55.920 8.331
K60N-A59CA-K60HN 118.730 55.960 8.218
K60N-CA-HN 118.730 59.252 8.218
G61N-K60CA-G61HN 108.215 59.333 8.415
G61N-CA-HN 108.215 48.451 8.409
L62N-G61CA-L62HN 115.360 48.180 8.204
L62N-CA-HN 115.360 57.134 8.207
N63N-L62CA-N63HN 112.260 57.165 7.179
N63N-CA-HN 112.260 53.631 7.182
C64N-N63CA-C64HN 125.611 53.631 7.380
C64N-CA-HN 125.611 62.505 7.380
E65N-C64CA-E65HN 135.049 62.545 9.795
E65N-CA-HN 135.049 60.306 9.795
T66N-E65CA-T66HN 112.531 60.286 9.139
T66N-CA-HN 112.531 64.241 9.135
G67N-T66CA-G67HN 110.543 64.250 7.331
G67N-CA-HN 110.543 43.816 7.331
I68N-G67CA-I68HN 117.633 43.799 7.840
I68N-CA-HN 117.636 62.605 7.840
T69N-I68CA-T69HN 123.957 62.595 8.611
T69N-CA-HN 123.957 59.182 8.613
A70N-T69CA-A70HN 124.856 59.142 8.385
A70N-CA-HN 124.856 52.186 8.385
T71N-A70CA-T71HN 111.546 52.206 9.138
T71N-CA-HN 111.546 56.924 9.140
C73N-P72CA-C73HN 127.189 62.957 8.790
C73N-CA-HN 127.189 61.732 8.790
G74N-C73CA-G74HN 114.806 61.702 9.321
G74N-CA-HN 114.806 47.006 9.321
V75N-G74CA-V75HN 117.571 47.220 8.967
V75N-CA-HN 117.591 61.780 8.957
C76N-V75CA-C76HN 124.849 61.762 7.459
C76N-CA-HN 124.838 57.168 7.461
D77N-C76CA-D77HN 120.725 57.175 8.692
D77N-CA-HN 120.725 58.540 8.692
N78N-D77CA-N78HN 119.148 58.560 7.898
N78N-CA-HN 119.148 56.562 7.898
C79N-N78CA-C79HN 121.865 56.558 8.940
C79N-CA-HN 121.839 66.309 8.941
R80N-C79CA-R80HN 117.660 66.329 8.390
R80N-CA-HN 117.660 59.664 8.393
E81N-R80CA-E81HN 118.019 59.654 8.483
E81N-CA-HN 118.065 60.225 8.479
I82N-E81CA-I82HN 120.895 60.146 8.165
I82N-CA-HN 120.856 66.373 8.170
E83N-I82CA-E83HN 121.690 66.400 7.840
E83N-CA-HN 121.701 59.070 7.839
Q84N-E83CA-Q84HN 113.882 59.062 7.618
Q84N-CA-HN 113.882 55.900 7.617
G85N-Q84CA-G85HN 109.029 55.870 7.833
R86N-G85CA-R86HN 117.430 46.705 8.178
R86N-CA-HN 117.430 54.454 8.174
F87N-R86CA-F87HN 123.329 54.492 8.441
F87N-CA-HN 123.359 55.737 8.441
V88N-F87CA-V88HN 127.501 55.749 8.462
V88N-CA-HN 127.501 64.121 8.464
L90N-D89CA-L90HN 122.253 54.073 7.449
L90N-CA-HN 122.253 54.334 7.445
I91N-L90CA-I91HN 129.732 54.324 9.004
I91N-CA-HN 129.732 60.798 9.001
E92N-I91CA-E92HN 127.162 60.839 8.576
E92N-CA-HN 127.162 55.799 8.573
I93N-E92CA-I93HN 125.674 55.814 9.306
I93N-CA-HN 125.672 60.295 9.305
D94N-I93CA-D94HN 127.865 60.296 8.837
D94N-CA-HN 127.865 52.366 8.838
A95N-D94CA-A95HN 126.935 52.366 8.457
A95N-CA-HN 126.935 54.394 8.462
A96N-A95CA-A96HN 117.187 54.334 8.015
A96N-CA-HN 117.187 53.149 8.012
S97N-A96CA-S97HN 112.596 53.089 7.211
S97N-CA-HN 112.615 58.549 7.208
V101N-K100CA-V101HN 119.827 56.502 7.823
V101N-CA-HN 119.827 64.442 7.823
E102N-V101CA-E102HN 121.698 64.462 8.575
E102N-CA-HN 121.698 58.239 8.577
D103N-E102CA-D103HN 120.506 58.239 8.036
D103N-CA-HN 120.506 55.669 8.039
T104N-D103CA-T104HN 114.518 55.619 8.124
T104N-CA-HN 114.518 64.402 8.124
R105N-T104CA-R105HN 121.638 64.460 7.933
R105N-CA-HN 121.666 58.221 7.937
D106N-R105CA-D106HN 119.936 58.269 8.160
D106N-CA-HN 119.936 56.050 8.163
L107N-D106CA-L107HN 121.110 56.080 8.098
L107N-CA-HN 121.116 57.849 8.096
L108N-L107CA-L108HN 117.433 57.799 8.111
L108N-CA-HN 117.433 55.398 8.114
D109N-L108CA-D109HN 119.827 55.348 7.828
D109N-CA-HN 119.827 56.085 7.830
V111N-N110CA-V111HN 119.802 53.447 7.617
V111N-CA-HN 119.834 64.653 7.617
Y113N-Q112CA-Y113HN 119.289 56.748 7.359
Y113N-CA-HN 119.289 57.861 7.357
A116N-P115CA-A116HN 128.313 62.274 10.060
A116N-CA-HN 128.350 54.021 10.060
R117N-A116CA-R117HN 119.833 54.033 10.118
R117N-CA-HN 119.833 57.124 10.118
G118N-R117CA-G118HN 108.594 57.094 9.851
G118N-CA-HN 108.594 44.356 9.853
R119N-G118CA-R119HN 119.675 44.416 8.172
R119N-CA-HN 119.675 57.787 8.165
F120N-R119CA-F120HN 113.600 57.968 8.355
F120N-CA-HN 113.600 55.849 8.355
K121N-F120CA-K121HN 122.606 55.779 9.198
V122N-K121CA-V122HN 125.990 55.729 8.818
V122N-CA-HN 125.990 60.427 8.815
Y123N-V122CA-Y123HN 126.179 60.387 8.424
Y123N-CA-HN 126.179 56.934 8.433
L124N-Y123CA-L124HN 129.239 56.914 9.306
L124N-CA-HN 129.239 53.751 9.304
I125N-L124CA-I125HN 124.790 53.765 9.000
I125N-CA-HN 124.768 60.477 9.004
D126N-I125CA-D126HN 127.660 60.477 9.049
D126N-CA-HN 127.660 53.581 9.049
E127N-D126CA-E127HN 121.668 53.571 8.162
E127N-CA-HN 121.668 55.558 8.163
V128N-E127CA-V128HN 114.896 55.558 8.099
V128N-CA-HN 114.896 64.262 8.103
H129N-V128CA-H129HN 115.356 64.191 8.022
H129N-CA-HN 115.356 58.690 8.020
M130N-H129CA-M130HN 118.320 58.710 7.967
M130N-CA-HN 118.320 54.745 7.967
L131N-M130CA-L131HN 119.636 54.665 6.975
L131N-CA-HN 119.636 55.438 6.977
S132N-L131CA-S132HN 114.739 55.448 8.290
S132N-CA-HN 114.739 57.446 8.285
S135N-H134CA-S135HN 118.313 59.852 7.897
S135N-CA-HN 118.285 62.475 7.898
F136N-S135CA-F136HN 122.664 62.475 8.975
F136N-CA-HN 122.664 61.531 8.970
N137N-F136CA-N137HN 117.382 61.458 8.190
N137N-CA-HN 117.430 56.452 8.191
A138N-N137CA-A138HN 122.614 56.512 7.527
A138N-CA-HN 122.614 55.087 7.522
L139N-A138CA-L139HN 121.073 55.067 8.186
L139N-CA-HN 121.073 57.897 8.186
L140N-L139CA-L140HN 119.041 57.907 8.447
L140N-CA-HN 119.041 58.500 8.447
K141N-L140CA-K141HN 116.524 58.449 7.647
K141N-CA-HN 116.569 58.939 7.652
T142N-K141CA-T142HN 115.519 58.931 7.485
T142N-CA-HN 115.519 66.279 7.483
L143N-T142CA-L143HN 118.152 66.239 7.993
L143N-CA-HN 118.152 56.783 7.990
E144N-L143CA-E144HN 117.662 56.833 7.749
E144N-CA-HN 117.662 58.921 7.748
E145N-E144CA-E145HN 116.814 58.911 6.986
E145N-CA-HN 116.845 53.761 6.983
E148N-P147CA-E148HN 121.386 61.980 8.865
E148N-CA-HN 121.413 59.232 8.863
H149N-CA-HN 110.407 56.911 7.834
V150N-H149CA-V150HN 120.361 56.907 7.184
V150N-CA-HN 120.390 60.455 7.183
K151N-V150CA-K151HN 122.241 60.397 8.529
K151N-CA-HN 122.241 52.828 8.528
F152N-K151CA-F152HN 119.263 52.810 8.772
F152N-CA-HN 119.264 58.108 8.775
L153N-F152CA-L153HN 124.358 58.048 9.754
L153N-CA-HN 124.358 53.601 9.754
L154N-L153CA-L154HN 123.473 53.580 9.514
L154N-CA-HN 123.473 53.320 9.514
A155N-L154CA-A155HN 124.320 53.189 9.000
A155N-CA-HN 124.320 50.419 9.000
T156N-A155CA-T156HN 114.512 50.389 8.613
T156N-CA-HN 114.512 61.100 8.618
T157N-T156CA-T157HN 118.749 61.110 8.942
T157N-CA-HN 118.749 61.722 8.942
D158N-T157CA-D158HN 122.753 61.722 8.795
D158N-CA-HN 122.753 51.724 8.800
Q160N-P159CA-Q160HN 116.013 64.693 8.261
Q160N-CA-HN 116.013 57.807 8.263
K161N-Q160CA-K161HN 117.252 57.787 7.503
K161N-CA-HN 117.307 56.216 7.506
L162N-K161CA-L162HN 120.173 56.171 7.483
L162N-CA-HN 120.159 52.472 7.486
I166N-T165CA-I166HN 117.634 63.569 6.940
I166N-CA-HN 117.634 62.525 6.937
L167N-I166CA-L167HN 120.357 62.575 7.556
L167N-CA-HN 120.357 58.891 7.553
S168N-L167CA-S168HN 109.398 58.821 8.135
S168N-CA-HN 109.398 60.618 8.138
R169N-S168CA-R169HN 119.049 60.708 7.337
R169N-CA-HN 119.049 55.478 7.331
C170N-R169CA-C170HN 113.942 55.430 7.194
C170N-CA-HN 113.954 57.606 7.193
L171N-C170CA-L171HN 124.158 57.656 7.808
L171N-CA-HN 124.158 54.504 7.808
Q172N-L171CA-Q172HN 124.509 54.484 8.171
Q172N-CA-HN 124.509 55.187 8.165
F173N-Q172CA-F173HN 122.285 55.207 8.946
F173N-CA-HN 122.285 57.385 8.943
H174N-F173CA-H174HN 124.437 57.369 9.020
H174N-CA-HN 124.473 55.216 9.020
L175N-H174CA-L175HN 129.698 55.198 8.989
L175N-CA-HN 129.732 56.462 8.987
K176N-L175CA-K176HN 120.737 56.482 9.089
K176N-CA-HN 120.737 55.378 9.093
A177N-K176CA-A177HN 123.399 55.340 8.436
A177N-CA-HN 123.403 52.575 8.439
L178N-A177CA-L178HN 122.553 52.547 8.444
L178N-CA-HN 122.553 54.314 8.440
D179N-L178CA-D179HN 120.151 54.253 8.669
D179N-CA-HN 120.151 53.490 8.666
V180N-D179CA-V180HN 120.352 53.490 8.209
V180N-CA-HN 120.352 66.560 8.212
E181N-V180CA-E181HN 119.460 66.560 8.356
E181N-CA-HN 119.460 58.577 8.353
Q182N-E181CA-Q182HN 118.568 58.570 7.804
Q182N-CA-HN 118.552 59.037 7.801
I183N-Q182CA-I183HN 118.087 58.961 7.706
I183N-CA-HN 118.087 65.777 7.733
R184N-I183CA-R184HN 120.731 65.817 8.736
R184N-CA-HN 120.731 60.839 8.733
H185N-R184CA-H185HN 115.859 60.849 8.465
H185N-CA-HN 115.859 59.875 8.464
Q186N-H185CA-Q186HN 118.886 59.744 7.630
Q186N-CA-HN 118.886 58.038 7.625
L187N-CA-HN 117.918 57.993 8.429
E188N-L187CA-E188HN 118.716 57.998 8.074
E188N-CA-HN 118.775 60.110 8.074
H189N-E188CA-H189HN 117.139 60.076 7.626
H189N-CA-HN 117.139 59.835 7.625
I190N-H189CA-I190HN 119.027 59.795 8.024
I190N-CA-HN 119.050 65.433 8.038
L191N-I190CA-L191HN 117.225 65.456 8.319
L191N-CA-HN 117.225 58.339 8.321
N192N-L191CA-N192HN 117.452 58.339 8.204
N192N-CA-HN 117.452 55.940 8.204
E193N-N192CA-E193HN 122.672 55.940 8.150
E193N-CA-HN 122.672 59.192 8.157
E194N-E193CA-E194HN 115.073 59.176 7.899
E194N-CA-HN 115.073 55.739 7.896
H195N-E194CA-H195HN 115.109 55.715 7.684
H195N-CA-HN 115.109 56.743 7.687
I196N-H195CA-I196HN 120.895 56.713 8.322
I196N-CA-HN 120.895 60.106 8.326
A197N-I196CA-A197HN 133.574 60.146 8.916
A197N-CA-HN 133.574 52.938 8.922
H198N-A197CA-H198HN 115.017 52.918 7.933
H198N-CA-HN 115.081 54.455 7.934
E199N-H198CA-E199HN 118.247 54.448 7.311
E199N-CA-HN 118.214 52.728 7.320
A202N-R201CA-A202HN 120.279 58.871 7.060
A202N-CA-HN 120.279 55.348 7.060
L203N-A202CA-L203HN 113.106 55.340 7.295
L203N-CA-HN 113.106 57.576 7.299
Q204N-L203CA-Q204HN 117.889 57.556 7.480
Q204N-CA-HN 117.894 59.420 7.478
L205N-Q204CA-L205HN 118.129 59.433 7.784
L205N-CA-HN 118.129 57.978 7.775
L206N-L205CA-L206HN 119.664 57.991 7.896
L206N-CA-HN 119.640 58.185 7.894
A207N-L206CA-A207HN 118.170 58.196 8.113
A207N-CA-HN 118.152 55.317 8.114
R208N-A207CA-R208HN 116.665 55.267 7.853
R208N-CA-HN 116.678 59.066 7.854
A209N-R208CA-A209HN 122.012 59.022 7.864
A209N-CA-HN 122.012 53.982 7.867
A210N-A209CA-A210HN 117.825 54.002 7.408
A210N-CA-HN 117.825 53.511 7.418
E211N-A210CA-E211HN 115.915 53.541 7.651
E211N-CA-HN 115.915 57.094 7.654
G212N-E211CA-G212HN 104.012 57.144 8.953
G212N-CA-HN 104.012 46.052 8.950
S213N-G212CA-S213HN 112.869 45.989 7.306
S213N-CA-HN 112.886 55.016 7.302
L214N-S213CA-L214HN 131.949 54.986 8.953
L214N-CA-HN 131.949 57.867 8.959
R215N-L214CA-R215HN 118.067 57.837 8.342
R215N-CA-HN 118.067 60.146 8.336
D216N-R215CA-D216HN 121.564 60.137 8.366
D216N-CA-HN 121.564 57.331 8.367
A217N-D216CA-A217HN 122.136 57.365 8.164
A217N-CA-HN 122.136 55.639 8.164
L218N-A217CA-L218HN 120.055 55.609 8.514
L218N-CA-HN 120.055 58.369 8.518
S219N-L218CA-S219HN 115.608 58.364 8.041
S219N-CA-HN 115.618 62.053 8.037
L220N-S219CA-L220HN 122.257 62.103 8.711
L220N-CA-HN 122.257 57.998 8.715
T221N-L220CA-T221HN 118.247 58.008 8.009
T221N-CA-HN 118.306 68.480 8.015
D222N-T221CA-D222HN 122.203 68.518 8.376
D222N-CA-HN 122.203 58.309 8.385
Q223N-D222CA-Q223HN 120.202 58.249 7.852
Q223N-CA-HN 120.202 59.082 7.857
A224N-Q223CA-A224HN 125.118 59.052 8.509
A224N-CA-HN 125.118 55.528 8.512
I225N-A224CA-I225HN 119.913 55.578 8.513
I225N-CA-HN 119.869 65.684 8.512
A226N-I225CA-A226HN 120.117 65.697 7.606
A226N-CA-HN 120.117 54.655 7.606
S227N-A226CA-S227HN 112.767 54.655 8.076
S227N-CA-HN 112.767 60.337 8.084
G228N-S227CA-G228HN 110.108 60.317 7.927
G228N-CA-HN 110.108 45.189 7.925
D229N-G228CA-D229HN 120.196 45.129 8.145
D229N-CA-HN 120.196 54.876 8.147
G230N-D229CA-G230HN 105.280 54.846 8.710
G230N-CA-HN 105.280 45.741 8.710
Q231N-G230CA-Q231HN 116.425 45.701 7.503
Q231N-CA-HN 116.425 54.033 7.508
V232N-Q231CA-V232HN 122.471 54.012 8.547
V232N-CA-HN 122.472 61.905 8.551
S233N-V232CA-S233HN 118.886 61.903 7.633
S233N-CA-HN 118.886 55.609 7.638
T234N-S233CA-T234HN 121.560 55.568 9.533
T234N-CA-HN 121.560 67.885 9.539
A236N-Q235CA-A236HN 121.963 59.534 7.815
A236N-CA-HN 121.995 55.069 7.811
V237N-A236CA-V237HN 117.445 54.999 8.178
V237N-CA-HN 117.445 66.883 8.182
S238N-V237CA-S238HN 115.108 66.882 8.719
S238N-CA-HN 115.108 62.154 8.721
A239N-S238CA-A239HN 122.119 62.164 7.637
A239N-CA-HN 122.119 54.545 7.635
M240N-A239CA-M240HN 117.005 54.514 7.572
M240N-CA-HN 117.005 57.777 7.578
L241N-M240CA-L241HN 118.207 57.827 7.794
L241N-CA-HN 118.190 55.621 7.797
G242N-L241CA-G242HN 113.427 55.639 7.588
G242N-CA-HN 113.427 46.761 7.592
;
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 2
2 . . N 15 15N . . . . . . . . . . 50595 2
stop_
save_
#########################
# Spectral peak lists #
#########################
save_peak_list_3
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_3
_Spectral_peak_list.Entry_ID 50595
_Spectral_peak_list.ID 3
_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 4
_Spectral_peak_list.Experiment_name '3D HNCACB'
_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
?-?-? 119.950 57.255 8.077
?-?-? 119.950 58.612 8.077
?-?-? 119.950 33.934 8.078
Y3N-S2CA-Y3HN 121.666 58.138 7.991
Y3N-S2CB-Y3HN 121.690 63.849 7.995
Y3N-CA-HN 121.666 57.600 7.998
Y3N-CB-HN 121.666 38.934 7.998
Q4N-Y3CA-Q4HN 121.973 57.564 8.335
Q4N-Y3CB-Q4HN 121.973 39.059 8.337
Q4N-CA-HN 121.973 55.731 8.341
Q4N-CB-HN 121.973 30.087 8.336
V5N-Q4CA-V5HN 120.902 55.719 8.014
V5N-Q4CB-V5HN 120.902 30.077 8.008
V5N-CA-HN 120.898 62.989 8.015
V5N-CB-HN 120.902 32.005 8.005
W10N-CA-HN 116.714 58.290 8.121
W10N-CB-HN 116.714 27.493 8.123
R11N-W10CA-R11HN 123.554 58.231 6.923
R11N-CA-HN 123.554 54.314 6.923
R11N-CB-HN 123.554 30.434 6.920
Q13N-P12CA-Q13HN 120.964 63.098 9.329
Q13N-P12CB-Q13HN 120.964 32.529 9.326
Q13N-CA-HN 120.964 56.233 9.331
Q13N-CB-HN 120.964 30.734 9.322
T14N-Q13CA-T14HN 109.029 56.078 7.849
T14N-Q13CB-T14HN 109.068 31.061 7.860
T14N-CA-HN 109.029 59.751 7.843
T14N-CB-HN 109.029 72.258 7.843
F15N-CA-HN 120.211 60.520 8.736
F15N-CB-HN 120.194 38.037 8.723
A16N-F15CA-A16HN 119.487 60.600 7.977
A16N-F15CB-A16HN 119.472 38.201 7.983
A16N-CA-HN 119.487 54.040 7.981
A16N-CB-HN 119.487 18.624 7.977
D17N-A16CA-D17HN 114.794 54.013 7.377
D17N-A16CB-D17HN 114.819 18.565 7.381
D17N-CA-HN 114.819 54.921 7.384
D17N-CB-HN 114.806 43.368 7.379
V18N-D17CA-V18HN 121.715 54.719 7.397
V18N-D17CB-V18HN 121.715 43.401 7.392
V18N-CA-HN 121.715 63.350 7.388
V18N-CB-HN 121.715 31.707 7.388
V19N-V18CA-V19HN 128.456 63.362 7.989
V19N-CA-HN 128.456 62.207 7.986
V19N-CB-HN 128.456 32.576 7.977
G20N-V19CA-G20HN 113.695 62.043 8.669
G20N-CA-HN 113.695 45.670 8.681
E22N-CA-HN 121.421 61.629 9.605
E22N-CB-HN 121.421 29.091 9.600
V24N-H23CA-V24HN 121.217 59.186 7.047
V24N-CA-HN 121.249 64.457 7.041
V24N-CB-HN 121.249 32.874 7.044
L25N-CA-HN 118.218 58.083 8.053
L25N-CB-HN 118.218 41.014 8.057
T26N-L25CA-T26HN 114.537 58.028 8.300
T26N-L25CB-T26HN 114.537 41.025 8.300
T26N-CA-HN 114.537 66.394 8.305
T26N-CB-HN 114.537 68.700 8.305
A27N-T26CA-A27HN 123.491 66.442 7.060
A27N-T26CB-A27HN 123.491 68.725 7.060
A27N-CA-HN 123.532 55.212 7.061
A27N-CB-HN 123.527 18.973 7.059
L28N-A27CA-L28HN 119.564 55.088 8.209
L28N-A27CB-L28HN 119.564 19.065 8.206
L28N-CA-HN 119.564 57.659 8.209
L28N-CB-HN 119.564 42.195 8.219
A29N-L28CA-A29HN 120.843 57.767 8.487
A29N-L28CB-A29HN 120.904 42.199 8.492
A29N-CA-HN 120.843 55.707 8.486
A29N-CB-HN 120.843 18.148 8.489
N30N-A29CA-N30HN 116.818 55.483 8.201
N30N-A29CB-N30HN 116.818 17.984 8.198
N30N-CA-HN 116.818 56.408 8.208
N30N-CB-HN 116.818 38.599 8.201
G31N-N30CA-G31HN 106.256 56.342 7.831
G31N-N30CB-G31HN 106.256 38.599 7.823
G31N-CA-HN 106.282 47.925 7.827
L32N-G31CA-L32HN 120.902 47.945 8.130
L32N-CA-HN 120.902 58.290 8.130
L32N-CB-HN 120.902 42.160 8.127
S33N-L32CA-S33HN 113.997 58.333 8.239
S33N-L32CB-S33HN 113.997 42.211 8.242
S33N-CA-HN 113.997 61.433 8.239
S33N-CB-HN 113.997 63.305 8.233
L34N-S33CA-L34HN 118.921 61.564 7.648
L34N-CA-HN 118.921 55.064 7.652
L34N-CB-HN 118.921 43.112 7.648
G35N-L34CA-G35HN 108.688 55.091 7.878
G35N-L34CB-G35HN 108.714 42.992 7.882
G35N-CA-HN 108.688 46.366 7.873
R36N-G35CA-R36HN 122.642 46.374 8.298
R36N-CA-HN 122.642 54.957 8.297
R36N-CB-HN 122.642 30.053 8.295
I37N-R36CA-I37HN 123.151 54.802 8.032
I37N-R36CB-I37HN 123.115 29.919 8.034
I37N-CA-HN 123.151 58.957 8.032
I37N-CB-HN 123.151 38.612 8.032
H38N-CA-HN 129.043 56.469 8.209
H38N-CB-HN 129.043 32.184 8.213
A40N-H39CA-A40HN 121.503 57.826 7.728
A40N-H39CB-A40HN 121.433 31.501 7.728
A40N-H39CB-A40HN 121.503 31.443 7.720
A40N-CA-HN 121.503 51.481 7.728
A40N-CB-HN 121.503 22.767 7.728
Y41N-A40CA-Y41HN 122.768 51.410 8.944
Y41N-A40CB-Y41HN 122.768 22.624 8.946
Y41N-CA-HN 122.768 56.826 8.949
Y41N-CB-HN 122.768 42.648 8.940
L42N-Y41CA-L42HN 124.153 56.832 8.950
L42N-Y41CB-L42HN 124.153 42.450 8.953
L42N-CA-HN 124.153 53.046 8.953
L42N-CB-HN 124.153 45.289 8.957
F43N-L42CA-F43HN 126.529 53.079 9.641
F43N-L42CB-F43HN 126.529 45.257 9.633
F43N-CA-HN 126.529 56.625 9.644
F43N-CB-HN 126.529 40.720 9.633
S44N-F43CA-S44HN 118.818 56.658 9.331
S44N-F43CB-S44HN 118.818 40.807 9.329
S44N-CA-HN 118.818 56.375 9.322
S44N-CB-HN 118.818 66.884 9.325
G45N-S44CA-G45HN 107.468 56.418 7.456
G45N-S44CB-G45HN 107.468 66.856 7.477
G45N-CA-HN 107.468 44.735 7.458
T46N-G45CA-T46HN 113.941 44.682 8.479
T46N-CA-HN 113.941 62.728 8.480
T46N-CB-HN 113.941 69.919 8.474
R47N-T46CA-R47HN 122.077 62.659 8.353
R47N-T46CB-R47HN 122.077 69.921 8.355
R47N-CA-HN 122.077 58.231 8.356
R47N-CB-HN 122.077 30.065 8.347
G48N-R47CA-G48HN 115.271 58.257 10.526
G48N-CA-HN 115.271 45.768 10.517
V49N-G48CA-V49HN 116.071 45.945 7.933
V49N-CA-HN 116.071 62.612 7.933
V49N-CB-HN 116.071 32.207 7.928
G50N-CA-HN 112.247 45.474 9.453
K51N-G50CA-K51HN 124.942 45.616 10.790
K51N-CB-HN 124.942 30.645 10.778
T52N-K51CA-T52HN 106.531 61.325 8.301
T52N-K51CB-T52HN 106.531 30.821 8.292
T52N-CA-HN 106.531 65.121 8.305
T52N-CB-HN 106.531 68.548 8.301
S53N-T52CA-S53HN 119.728 65.005 7.751
S53N-T52CB-S53HN 119.728 68.442 7.750
S53N-CA-HN 119.728 61.564 7.754
S53N-CB-HN 119.728 62.481 7.757
I54N-S53CA-I54HN 122.017 61.493 8.133
I54N-CA-HN 122.017 64.564 8.133
I54N-CB-HN 122.017 36.350 8.132
A55N-I54CA-A55HN 121.263 64.624 7.490
A55N-I54CB-A55HN 121.263 36.398 7.487
A55N-CA-HN 121.263 55.231 7.487
A55N-CB-HN 121.263 18.100 7.487
R56N-A55CA-R56HN 117.497 55.256 8.045
R56N-A55CB-R56HN 117.504 18.136 8.051
R56N-CA-HN 117.504 60.520 8.047
R56N-CB-HN 117.504 29.798 8.044
L57N-R56CA-L57HN 119.006 60.612 7.449
L57N-R56CB-L57HN 119.006 29.963 7.452
L57N-CA-HN 119.052 57.740 7.443
L57N-CB-HN 119.006 41.695 7.438
L58N-L57CA-L58HN 121.765 57.752 8.246
L58N-L57CB-L58HN 121.765 41.805 8.253
L58N-CA-HN 121.765 58.369 8.248
L58N-CB-HN 121.765 41.541 8.254
A59N-L58CA-A59HN 120.516 58.322 8.324
A59N-L58CB-A59HN 120.516 41.588 8.331
A59N-CA-HN 120.516 55.921 8.330
A59N-CB-HN 120.516 18.422 8.327
K60N-A59CA-K60HN 118.730 55.826 8.218
K60N-A59CB-K60HN 118.730 18.398 8.215
K60N-CA-HN 118.760 59.284 8.220
K60N-CB-HN 118.730 33.862 8.215
G61N-K60CA-G61HN 108.215 59.203 8.414
G61N-K60CB-G61HN 108.215 34.059 8.416
G61N-CA-HN 108.215 48.248 8.420
L62N-G61CA-L62HN 115.360 48.216 8.209
L62N-CA-HN 115.360 57.093 8.206
L62N-CB-HN 115.404 42.474 8.208
N63N-L62CA-N63HN 112.260 57.195 7.178
N63N-CA-HN 112.260 53.612 7.175
N63N-CB-HN 112.260 42.183 7.172
C64N-N63CA-C64HN 125.611 53.743 7.376
C64N-CA-HN 125.611 62.445 7.383
C64N-CB-HN 125.611 27.505 7.373
E65N-CA-HN 135.049 60.367 9.800
E65N-CB-HN 135.049 30.679 9.793
T66N-E65CA-T66HN 112.531 60.335 9.139
T66N-E65CB-T66HN 112.531 30.723 9.145
T66N-CA-HN 112.531 64.197 9.138
T66N-CB-HN 112.531 70.104 9.132
G67N-T66CA-G67HN 110.543 64.168 7.332
G67N-CA-HN 110.543 43.808 7.325
I68N-G67CA-I68HN 117.636 43.838 7.839
I68N-CA-HN 117.636 62.493 7.842
I68N-CB-HN 117.636 37.862 7.836
T69N-CA-HN 123.957 59.124 8.609
T69N-CB-HN 123.952 68.984 8.613
A70N-T69CA-A70HN 124.856 59.095 8.389
A70N-T69CB-A70HN 124.833 68.749 8.382
A70N-CA-HN 124.856 52.112 8.389
A70N-CB-HN 124.856 19.303 8.382
T71N-A70CA-T71HN 111.546 52.056 9.138
T71N-A70CB-T71HN 111.546 19.311 9.135
T71N-CA-HN 111.546 56.832 9.140
T71N-CB-HN 111.546 69.092 9.138
C73N-P72CA-C73HN 127.189 62.913 8.787
C73N-P72CB-C73HN 127.189 32.137 8.787
C73N-CA-HN 127.189 61.749 8.784
C73N-CB-HN 127.261 30.579 8.793
G74N-C73CA-G74HN 114.806 61.749 9.321
G74N-CA-HN 114.806 47.063 9.314
V75N-G74CA-V75HN 117.537 47.082 8.966
V75N-CA-HN 117.571 61.782 8.952
V75N-CB-HN 117.631 34.431 8.955
C76N-CA-HN 124.849 57.124 7.462
C76N-CB-HN 124.849 30.517 7.462
D77N-C76CA-D77HN 120.725 57.112 8.687
D77N-C76CB-D77HN 120.725 30.541 8.690
D77N-CA-HN 120.725 58.517 8.688
D77N-CB-HN 120.725 40.112 8.693
N78N-D77CA-N78HN 119.148 58.588 7.888
N78N-D77CB-N78HN 119.148 40.124 7.895
N78N-CA-HN 119.159 56.558 7.896
N78N-CB-HN 119.148 36.969 7.892
C79N-N78CA-C79HN 121.839 56.397 8.943
C79N-N78CB-C79HN 121.839 36.967 8.946
C79N-CA-HN 121.839 66.369 8.944
C79N-CB-HN 121.839 29.309 8.943
R80N-C79CA-R80HN 117.660 66.209 8.387
R80N-CA-HN 117.660 59.595 8.390
R80N-CB-HN 117.659 30.322 8.388
E81N-R80CA-E81HN 118.019 59.638 8.478
E81N-R80CB-E81HN 118.019 30.320 8.481
E81N-CA-HN 118.019 60.128 8.475
E81N-CB-HN 118.019 29.352 8.473
I82N-E81CA-I82HN 120.895 60.243 8.169
I82N-E81CB-I82HN 120.895 29.422 8.167
I82N-CA-HN 120.895 66.397 8.169
I82N-CB-HN 120.895 37.315 8.170
E83N-I82CA-E83HN 121.701 66.243 7.841
E83N-CA-HN 121.701 59.076 7.840
E83N-CB-HN 121.701 29.493 7.837
Q84N-E83CA-Q84HN 113.882 59.052 7.617
Q84N-CA-HN 113.882 55.874 7.617
Q84N-CB-HN 113.882 29.636 7.615
G85N-Q84CA-G85HN 108.969 55.647 7.833
G85N-Q84CB-G85HN 109.029 29.576 7.835
G85N-CA-HN 109.029 46.704 7.838
R86N-G85CA-R86HN 117.430 46.624 8.179
R86N-CA-HN 117.430 54.540 8.178
R86N-CB-HN 117.507 31.510 8.177
F87N-R86CA-F87HN 123.377 54.488 8.442
F87N-R86CB-F87HN 123.393 31.449 8.440
F87N-CA-HN 123.406 55.679 8.442
F87N-CB-HN 123.349 40.508 8.440
V88N-F87CA-V88HN 127.501 55.695 8.460
V88N-F87CB-V88HN 127.501 40.505 8.469
V88N-CA-HN 127.457 64.068 8.462
V88N-CB-HN 127.501 31.493 8.463
L90N-D89CA-L90HN 122.253 54.137 7.442
L90N-D89CB-L90HN 122.250 42.654 7.443
L90N-CA-HN 122.253 54.279 7.444
L90N-CB-HN 122.253 44.255 7.438
I91N-L90CA-I91HN 129.729 54.368 8.996
I91N-L90CB-I91HN 129.732 44.325 9.001
I91N-CA-HN 129.732 60.759 8.999
I91N-CB-HN 129.732 37.990 8.995
E92N-I91CA-E92HN 127.166 60.749 8.576
E92N-I91CB-E92HN 127.162 38.017 8.588
E92N-CA-HN 127.162 55.767 8.578
E92N-CB-HN 127.162 30.362 8.578
I93N-E92CA-I93HN 125.638 55.726 9.306
I93N-E92CB-I93HN 125.665 30.309 9.309
I93N-CA-HN 125.665 60.400 9.306
I93N-CB-HN 125.665 41.852 9.301
D94N-I93CA-D94HN 127.865 60.346 8.828
D94N-I93CB-D94HN 127.865 41.718 8.832
D94N-CA-HN 127.865 52.263 8.833
D94N-CB-HN 127.865 40.318 8.836
A95N-D94CA-A95HN 126.935 52.338 8.455
A95N-D94CB-A95HN 126.935 40.362 8.459
A95N-CA-HN 126.935 54.290 8.459
A95N-CB-HN 126.954 19.463 8.456
A96N-A95CA-A96HN 117.232 54.296 8.016
A96N-A95CB-A96HN 117.187 19.509 8.011
A96N-CA-HN 117.187 53.187 8.012
A96N-CB-HN 117.187 19.289 8.004
S97N-A96CA-S97HN 112.596 53.136 7.206
S97N-A96CB-S97HN 112.596 19.339 7.206
S97N-CA-HN 112.596 58.517 7.206
S97N-CB-HN 112.596 63.421 7.208
V101N-K100CA-V101HN 119.827 56.481 7.824
V101N-CA-HN 119.827 64.374 7.816
V101N-CB-HN 119.791 32.438 7.817
E102N-V101CA-E102HN 121.698 64.564 8.568
E102N-V101CB-E102HN 121.698 32.387 8.577
E102N-CA-HN 121.698 58.255 8.575
E102N-CB-HN 121.698 29.529 8.575
D103N-E102CA-D103HN 120.506 58.231 8.030
D103N-E102CB-D103HN 120.472 29.495 8.032
D103N-CA-HN 120.506 55.648 8.032
D103N-CB-HN 120.506 41.243 8.035
T104N-D103CA-T104HN 114.518 55.668 8.118
T104N-D103CB-T104HN 114.518 41.253 8.114
T104N-CA-HN 114.518 64.338 8.123
T104N-CB-HN 114.518 69.064 8.120
R105N-CA-HN 121.638 58.207 7.935
R105N-CB-HN 121.638 30.279 7.935
D106N-R105CA-D106HN 119.936 58.148 8.154
D106N-R105CB-D106HN 119.936 30.148 8.161
D106N-CA-HN 119.936 56.040 8.160
D106N-CB-HN 119.936 41.064 8.161
L107N-D106CA-L107HN 121.110 56.026 8.095
L107N-D106CB-L107HN 121.110 41.053 8.090
L107N-CA-HN 121.110 57.826 8.093
L107N-CB-HN 121.110 42.731 8.096
L108N-L107CA-L108HN 117.449 57.768 8.102
L108N-L107CB-L108HN 117.493 42.786 8.111
L108N-CA-HN 117.433 55.284 8.111
L108N-CB-HN 117.448 41.047 8.117
D109N-L108CA-D109HN 119.827 55.264 7.830
D109N-CA-HN 119.827 56.088 7.831
D109N-CB-HN 119.891 41.204 7.828
V111N-N110CA-V111HN 119.780 53.404 7.614
V111N-N110CB-V111HN 119.834 38.874 7.618
V111N-CA-HN 119.834 64.647 7.615
V111N-CB-HN 119.834 32.207 7.618
Y113N-Q112CA-Y113HN 119.289 56.588 7.353
Y113N-CA-HN 119.289 57.802 7.361
Y113N-CB-HN 119.289 38.440 7.361
A116N-P115CA-A116HN 128.324 62.285 10.061
A116N-P115CB-A116HN 128.313 31.713 10.058
A116N-CA-HN 128.313 54.069 10.053
A116N-CB-HN 128.313 20.366 10.050
R117N-A116CA-R117HN 119.833 53.851 10.114
R117N-A116CB-R117HN 119.833 20.399 10.114
R117N-CA-HN 119.833 57.136 10.117
R117N-CB-HN 119.833 34.443 10.111
G118N-CA-HN 108.594 44.463 9.846
R119N-G118CA-R119HN 119.675 44.350 8.164
R119N-CA-HN 119.675 57.838 8.173
F120N-R119CA-F120HN 113.600 57.887 8.361
F120N-CA-HN 113.600 55.820 8.354
F120N-CB-HN 113.585 43.583 8.353
K121N-F120CA-K121HN 122.606 55.722 9.198
K121N-F120CB-K121HN 122.606 43.527 9.189
K121N-CA-HN 122.606 55.766 9.197
K121N-CB-HN 122.606 34.302 9.195
V122N-K121CA-V122HN 125.990 55.733 8.817
V122N-CA-HN 125.990 60.356 8.817
V122N-CB-HN 125.972 34.321 8.819
Y123N-V122CA-Y123HN 126.179 60.469 8.432
Y123N-V122CB-Y123HN 126.179 34.434 8.438
Y123N-CA-HN 126.179 56.802 8.432
Y123N-CB-HN 126.179 41.064 8.425
L124N-Y123CA-L124HN 129.239 56.930 9.300
L124N-Y123CB-L124HN 129.239 41.034 9.302
L124N-CA-HN 129.239 53.779 9.302
L124N-CB-HN 129.239 44.756 9.300
I125N-L124CA-I125HN 124.768 53.807 9.006
I125N-L124CB-I125HN 124.768 44.648 9.000
I125N-CA-HN 124.768 60.509 8.999
I125N-CB-HN 124.768 38.904 8.994
D126N-I125CA-D126HN 127.660 60.384 9.056
D126N-I125CB-D126HN 127.660 38.980 9.044
D126N-CA-HN 127.660 53.590 9.049
D126N-CB-HN 127.676 43.389 9.048
E127N-D126CA-E127HN 121.668 53.552 8.155
E127N-D126CB-E127HN 121.668 43.469 8.157
E127N-CA-HN 121.668 55.505 8.157
E127N-CB-HN 121.668 26.708 8.158
V128N-E127CA-V128HN 114.896 55.494 8.103
V128N-E127CB-V128HN 114.896 26.741 8.091
V128N-CA-HN 114.896 64.099 8.102
V128N-CB-HN 114.896 31.702 8.106
H129N-V128CA-H129HN 115.356 64.147 8.022
H129N-CA-HN 115.356 58.671 8.024
H129N-CB-HN 115.356 30.053 8.019
M130N-H129CA-M130HN 118.320 58.778 7.969
M130N-H129CB-M130HN 118.320 30.053 7.957
M130N-CA-HN 118.371 54.668 7.965
M130N-CB-HN 118.320 31.029 7.962
L131N-M130CA-L131HN 119.636 54.616 6.982
L131N-M130CB-L131HN 119.656 31.064 6.981
L131N-CA-HN 119.636 55.469 6.976
L131N-CB-HN 119.636 42.505 6.973
S132N-L131CA-S132HN 114.739 55.428 8.284
S132N-L131CB-S132HN 114.739 42.428 8.282
S132N-CA-HN 114.778 57.416 8.285
S132N-CB-HN 114.739 65.002 8.286
S135N-H134CA-S135HN 118.285 59.838 7.891
S135N-H134CB-S135HN 118.285 30.815 7.901
S135N-CA-HN 118.285 62.397 7.895
S135N-CB-HN 118.285 63.505 7.892
F136N-S135CA-F136HN 122.664 62.481 8.978
F136N-CA-HN 122.664 61.528 8.969
F136N-CB-HN 122.664 38.469 8.966
N137N-F136CA-N137HN 117.430 61.528 8.193
N137N-CA-HN 117.430 56.386 8.190
N137N-CB-HN 117.428 37.989 8.178
A138N-N137CA-A138HN 122.630 56.433 7.525
A138N-N137CB-A138HN 122.671 38.007 7.522
A138N-CA-HN 122.627 55.062 7.522
A138N-CB-HN 122.635 18.419 7.521
L139N-A138CA-L139HN 121.073 55.040 8.182
L139N-A138CB-L139HN 121.073 18.600 8.179
L139N-CA-HN 121.073 57.850 8.187
L139N-CB-HN 121.073 41.957 8.181
L140N-L139CA-L140HN 119.041 57.922 8.451
L140N-L139CB-L140HN 119.041 41.902 8.442
L140N-CA-HN 119.041 58.464 8.447
L140N-CB-HN 119.041 41.504 8.447
K141N-L140CA-K141HN 116.524 58.552 7.649
K141N-L140CB-K141HN 116.573 41.459 7.651
K141N-CA-HN 116.524 58.981 7.644
K141N-CB-HN 116.524 31.874 7.652
T142N-K141CA-T142HN 115.519 58.945 7.485
T142N-K141CB-T142HN 115.519 31.898 7.479
T142N-CA-HN 115.519 66.255 7.479
T142N-CB-HN 115.519 68.135 7.482
L143N-T142CA-L143HN 118.152 66.190 7.999
L143N-CA-HN 118.152 56.832 7.994
L143N-CB-HN 118.152 41.852 7.985
E144N-L143CA-E144HN 117.662 56.767 7.756
E144N-L143CB-E144HN 117.662 41.945 7.745
E144N-CA-HN 117.662 58.945 7.750
E144N-CB-HN 117.662 30.374 7.747
E145N-E144CA-E145HN 116.814 58.790 6.987
E145N-E144CB-E145HN 116.814 30.504 6.981
E145N-CA-HN 116.814 53.695 6.982
E145N-CB-HN 116.833 30.334 6.982
E148N-P147CA-E148HN 121.413 61.977 8.866
E148N-P147CB-E148HN 121.358 32.134 8.867
E148N-CA-HN 121.413 59.214 8.863
E148N-CB-HN 121.413 30.103 8.863
V150N-H149CA-V150HN 120.343 56.838 7.184
V150N-H149CB-V150HN 120.343 31.020 7.183
V150N-CA-HN 120.396 60.408 7.182
V150N-CB-HN 120.402 34.505 7.183
K151N-V150CA-K151HN 122.241 60.398 8.527
K151N-V150CB-K151HN 122.189 34.456 8.514
K151N-CA-HN 122.208 52.767 8.526
K151N-CB-HN 122.241 35.886 8.523
F152N-K151CA-F152HN 119.264 52.741 8.775
F152N-K151CB-F152HN 119.264 35.934 8.775
F152N-CA-HN 119.264 58.068 8.773
F152N-CB-HN 119.264 41.525 8.767
L153N-F152CA-L153HN 124.358 58.018 9.756
L153N-F152CB-L153HN 124.358 41.569 9.754
L153N-CA-HN 124.358 53.579 9.756
L153N-CB-HN 124.358 42.407 9.751
L154N-L153CA-L154HN 123.473 53.499 9.510
L154N-L153CB-L154HN 123.473 42.428 9.505
L154N-CA-HN 123.473 53.209 9.510
L154N-CB-HN 123.473 44.724 9.510
A155N-L154CA-A155HN 124.320 53.133 8.988
A155N-L154CB-A155HN 124.320 44.659 8.987
A155N-CA-HN 124.320 50.305 8.994
A155N-CB-HN 124.320 22.694 8.994
T156N-A155CA-T156HN 114.512 50.294 8.611
T156N-A155CB-T156HN 114.554 22.643 8.611
T156N-CA-HN 114.512 61.064 8.608
T156N-CB-HN 114.512 68.755 8.611
T157N-T156CA-T157HN 118.749 61.196 8.945
T157N-T156CB-T157HN 118.749 68.777 8.948
T157N-CA-HN 118.749 61.531 8.944
T157N-CB-HN 118.749 71.083 8.944
D158N-T157CA-D158HN 122.753 61.727 8.802
D158N-T157CB-D158HN 122.720 71.214 8.786
D158N-CA-HN 122.739 51.575 8.798
D158N-CB-HN 122.753 40.992 8.799
Q160N-P159CA-Q160HN 115.999 64.769 8.260
Q160N-P159CB-Q160HN 115.976 31.433 8.258
Q160N-CA-HN 116.013 57.756 8.262
Q160N-CB-HN 116.013 27.797 8.255
K161N-Q160CA-K161HN 117.252 57.778 7.507
K161N-Q160CB-K161HN 117.252 27.815 7.503
K161N-CA-HN 117.252 56.195 7.506
K161N-CB-HN 117.291 33.141 7.505
L162N-K161CA-L162HN 120.173 56.195 7.484
L162N-K161CB-L162HN 120.158 33.272 7.488
L162N-CA-HN 120.161 52.420 7.486
L162N-CB-HN 120.157 41.918 7.485
I166N-T165CA-I166HN 117.634 63.576 6.940
I166N-T165CB-I166HN 117.634 67.671 6.933
I166N-CA-HN 117.634 62.469 6.933
I166N-CB-HN 117.634 37.993 6.933
L167N-I166CA-L167HN 120.357 62.552 7.556
L167N-CA-HN 120.357 58.850 7.553
L167N-CB-HN 120.368 42.221 7.554
S168N-L167CA-S168HN 109.398 58.801 8.134
S168N-L167CB-S168HN 109.398 42.374 8.134
S168N-CA-HN 109.398 60.574 8.134
S168N-CB-HN 109.398 63.424 8.134
R169N-S168CA-R169HN 119.049 60.540 7.332
R169N-S168CB-R169HN 119.049 63.457 7.342
R169N-CA-HN 119.049 55.481 7.332
R169N-CB-HN 119.081 31.661 7.332
C170N-R169CA-C170HN 113.954 55.433 7.191
C170N-R169CB-C170HN 113.954 31.481 7.194
C170N-CA-HN 113.954 57.588 7.191
C170N-CB-HN 113.954 30.767 7.196
L171N-C170CA-L171HN 124.158 57.636 7.810
L171N-C170CB-L171HN 124.158 30.826 7.803
L171N-CA-HN 124.170 54.491 7.809
L171N-CB-HN 124.158 41.743 7.810
Q172N-L171CA-Q172HN 124.509 54.505 8.164
Q172N-L171CB-Q172HN 124.509 41.767 8.164
Q172N-CA-HN 124.509 55.219 8.169
Q172N-CB-HN 124.565 30.878 8.168
F173N-Q172CA-F173HN 122.285 55.183 8.940
F173N-Q172CB-F173HN 122.285 30.922 8.943
F173N-CA-HN 122.285 57.338 8.947
F173N-CB-HN 122.285 42.695 8.943
H174N-F173CA-H174HN 124.425 57.265 9.021
H174N-F173CB-H174HN 124.425 42.729 9.018
H174N-CA-HN 124.425 55.152 9.012
H174N-CB-HN 124.480 31.446 9.020
L175N-H174CA-L175HN 129.732 55.243 8.987
L175N-H174CB-L175HN 129.774 31.461 8.972
L175N-CA-HN 129.732 56.440 8.987
L175N-CB-HN 129.732 42.961 8.987
K176N-L175CA-K176HN 120.737 56.375 9.087
K176N-L175CB-K176HN 120.737 42.958 9.083
K176N-CA-HN 120.737 55.298 9.091
K176N-CB-HN 120.737 35.760 9.087
A177N-K176CA-A177HN 123.406 55.279 8.435
A177N-K176CB-A177HN 123.372 35.757 8.434
A177N-CA-HN 123.408 52.468 8.437
A177N-CB-HN 123.406 19.208 8.435
L178N-A177CA-L178HN 122.568 52.533 8.441
L178N-A177CB-L178HN 122.595 19.141 8.437
L178N-CA-HN 122.553 54.243 8.443
L178N-CB-HN 122.553 43.076 8.441
D179N-L178CA-D179HN 120.151 54.302 8.666
D179N-CA-HN 120.151 53.398 8.666
D179N-CB-HN 120.151 42.803 8.661
V180N-D179CA-V180HN 120.352 53.386 8.209
V180N-D179CB-V180HN 120.352 42.755 8.213
V180N-CA-HN 120.352 66.564 8.210
V180N-CB-HN 120.352 32.041 8.209
E181N-V180CA-E181HN 119.461 66.453 8.349
E181N-V180CB-E181HN 119.460 31.969 8.356
E181N-CA-HN 119.460 58.528 8.355
E181N-CB-HN 119.460 28.946 8.350
Q182N-E181CA-Q182HN 118.568 58.588 7.798
Q182N-E181CB-Q182HN 118.597 28.735 7.810
Q182N-CA-HN 118.568 59.084 7.803
Q182N-CB-HN 118.561 30.046 7.802
I183N-CA-HN 118.087 65.826 7.733
I183N-CB-HN 118.087 37.850 7.736
R184N-I183CA-R184HN 120.731 65.736 8.739
R184N-CA-HN 120.731 60.814 8.734
R184N-CB-HN 120.731 29.719 8.737
H185N-R184CA-H185HN 115.859 60.879 8.469
H185N-CA-HN 115.859 59.867 8.467
H185N-CB-HN 115.859 30.016 8.467
Q186N-H185CB-Q186HN 118.886 30.279 7.629
Q186N-CA-HN 118.886 58.028 7.630
Q186N-CB-HN 118.886 27.553 7.630
L187N-Q186CB-L187HN 117.934 27.496 8.426
L187N-CA-HN 117.934 58.028 8.427
L187N-CB-HN 117.934 42.363 8.427
E188N-L187CA-E188HN 118.716 57.874 8.080
E188N-CA-HN 118.743 60.069 8.073
E188N-CB-HN 118.716 29.862 8.077
H189N-CA-HN 117.139 59.909 7.625
H189N-CB-HN 117.139 29.946 7.623
I190N-H189CA-I190HN 119.027 59.874 8.045
I190N-H189CB-I190HN 119.027 30.017 8.056
I190N-CA-HN 119.021 65.396 8.038
I190N-CB-HN 119.043 38.217 8.037
L191N-I190CA-L191HN 117.225 65.415 8.327
L191N-I190CB-L191HN 117.225 38.262 8.318
L191N-CA-HN 117.225 58.279 8.323
L191N-CB-HN 117.225 39.763 8.318
N192N-L191CA-N192HN 117.452 58.314 8.200
N192N-L191CB-N192HN 117.452 39.660 8.210
N192N-CA-HN 117.452 55.898 8.206
N192N-CB-HN 117.430 37.994 8.205
E193N-N192CA-E193HN 122.672 55.874 8.144
E193N-N192CB-E193HN 122.672 37.529 8.149
E193N-CA-HN 122.695 59.149 8.153
E193N-CB-HN 122.672 29.612 8.154
E194N-E193CA-E194HN 115.073 59.017 7.896
E194N-CA-HN 115.073 55.719 7.894
E194N-CB-HN 115.073 30.350 7.896
H195N-E194CA-H195HN 115.109 55.624 7.686
H195N-CA-HN 115.109 56.695 7.686
H195N-CB-HN 115.109 26.255 7.686
I196N-H195CA-I196HN 120.895 56.612 8.324
I196N-H195CB-I196HN 120.895 26.219 8.330
I196N-CA-HN 120.895 60.112 8.327
I196N-CB-HN 120.895 39.374 8.324
A197N-CA-HN 133.574 52.850 8.924
A197N-CB-HN 133.574 19.126 8.928
H198N-A197CA-H198HN 115.017 52.874 7.939
H198N-A197CB-H198HN 115.017 19.398 7.928
H198N-CA-HN 115.017 54.326 7.936
H198N-CB-HN 115.079 33.012 7.937
E199N-H198CA-E199HN 118.214 54.362 7.317
E199N-H198CB-E199HN 118.214 32.874 7.311
E199N-CA-HN 118.214 52.636 7.320
E199N-CB-HN 118.214 31.933 7.322
A202N-R201CA-A202HN 120.330 58.902 7.059
A202N-R201CB-A202HN 120.279 29.636 7.061
A202N-CA-HN 120.279 55.314 7.056
A202N-CB-HN 120.279 18.791 7.054
L203N-A202CA-L203HN 113.106 55.253 7.298
L203N-A202CB-L203HN 113.106 18.901 7.291
L203N-CA-HN 113.106 57.578 7.300
L203N-CB-HN 113.106 41.285 7.303
Q204N-L203CA-Q204HN 117.889 57.552 7.479
Q204N-CA-HN 117.889 59.421 7.478
Q204N-CB-HN 117.889 28.386 7.475
L205N-Q204CA-L205HN 118.129 59.386 7.770
L205N-CA-HN 118.129 57.981 7.770
L205N-CB-HN 118.129 42.423 7.754
L206N-L205CA-L206HN 119.664 57.933 7.889
L206N-CA-HN 119.664 58.207 7.896
L206N-CB-HN 119.664 42.957 7.886
A207N-L206CA-A207HN 118.152 58.170 8.108
A207N-L206CB-A207HN 118.152 42.983 8.118
A207N-CA-HN 118.163 55.217 8.113
A207N-CB-HN 118.150 19.100 8.112
R208N-A207CA-R208HN 116.654 55.176 7.848
R208N-A207CB-R208HN 116.673 19.089 7.850
R208N-CA-HN 116.665 59.037 7.854
R208N-CB-HN 116.665 30.422 7.848
A209N-R208CA-A209HN 122.012 58.909 7.870
A209N-R208CB-A209HN 122.012 30.433 7.858
A209N-CA-HN 122.012 53.898 7.864
A209N-CB-HN 122.012 19.196 7.862
A210N-A209CA-A210HN 117.825 54.076 7.420
A210N-A209CB-A210HN 117.825 19.372 7.412
A210N-CA-HN 117.825 53.493 7.418
A210N-CB-HN 117.825 19.136 7.415
E211N-A210CA-E211HN 115.915 53.457 7.656
E211N-A210CB-E211HN 115.915 19.017 7.647
E211N-CA-HN 115.915 57.088 7.656
E211N-CB-HN 115.915 28.207 7.650
G212N-E211CA-G212HN 104.012 57.088 8.953
G212N-CA-HN 104.012 46.112 8.955
S213N-G212CA-S213HN 112.886 46.124 7.306
S213N-CA-HN 112.886 54.981 7.303
S213N-CB-HN 112.886 63.731 7.298
L214N-S213CA-L214HN 131.949 54.993 8.943
L214N-S213CB-L214HN 131.949 63.827 8.955
L214N-CA-HN 131.949 57.887 8.958
L214N-CB-HN 131.953 41.808 8.948
R215N-L214CA-R215HN 118.067 57.778 8.345
R215N-L214CB-R215HN 118.067 41.688 8.333
R215N-CA-HN 118.067 60.085 8.330
R215N-CB-HN 118.067 29.613 8.341
D216N-R215CA-D216HN 121.564 60.155 8.367
D216N-CA-HN 121.564 57.290 8.361
D216N-CB-HN 121.564 39.410 8.363
A217N-D216CA-A217HN 122.136 57.374 8.152
A217N-D216CB-A217HN 122.136 39.434 8.160
A217N-CA-HN 122.136 55.624 8.157
A217N-CB-HN 122.136 18.874 8.163
L218N-A217CA-L218HN 120.055 55.469 8.514
L218N-A217CB-L218HN 120.055 18.898 8.518
L218N-CA-HN 120.055 58.338 8.520
L218N-CB-HN 120.055 41.314 8.513
S219N-L218CA-S219HN 115.407 58.608 8.026
S219N-L218CA-S219HN 115.618 58.351 8.040
S219N-L218CB-S219HN 115.618 41.289 8.040
S219N-CA-HN 115.618 62.005 8.045
S219N-CB-HN 115.618 62.850 8.045
L220N-CA-HN 122.257 57.996 8.711
L220N-CB-HN 122.257 43.146 8.712
T221N-L220CA-T221HN 118.247 57.909 8.019
T221N-L220CB-T221HN 118.247 43.053 8.022
T221N-CA-HN 118.247 68.592 8.012
T221N-CB-HN 118.247 67.036 8.012
D222N-CA-HN 122.203 58.243 8.396
D222N-CB-HN 122.203 40.981 8.368
Q223N-D222CA-Q223HN 120.164 58.306 7.856
Q223N-D222CB-Q223HN 120.202 40.981 7.855
Q223N-CA-HN 120.202 59.017 7.849
Q223N-CB-HN 120.202 28.505 7.852
A224N-Q223CA-A224HN 125.070 59.026 8.513
A224N-Q223CB-A224HN 125.118 28.481 8.508
A224N-CA-HN 125.118 55.469 8.511
A224N-CB-HN 125.118 18.850 8.504
I225N-A224CA-I225HN 119.913 55.469 8.507
I225N-A224CB-I225HN 119.913 18.881 8.515
I225N-CA-HN 119.913 65.755 8.513
I225N-CB-HN 119.934 38.408 8.506
A226N-I225CA-A226HN 120.117 65.671 7.600
A226N-CA-HN 120.117 54.648 7.603
A226N-CB-HN 120.117 18.672 7.606
S227N-A226CA-S227HN 112.767 54.569 8.081
S227N-A226CB-S227HN 112.767 18.560 8.081
S227N-CA-HN 112.767 60.346 8.081
S227N-CB-HN 112.767 63.859 8.084
G228N-S227CA-G228HN 110.108 60.269 7.912
G228N-S227CB-G228HN 110.108 63.783 7.911
G228N-CA-HN 110.108 45.235 7.921
D229N-G228CA-D229HN 120.196 45.267 8.151
D229N-CA-HN 120.196 54.850 8.148
D229N-CB-HN 120.196 40.124 8.146
G230N-D229CA-G230HN 105.280 54.850 8.702
G230N-D229CB-G230HN 105.280 40.076 8.712
G230N-CA-HN 105.280 45.683 8.712
Q231N-G230CA-Q231HN 116.425 45.600 7.501
Q231N-CA-HN 116.425 53.862 7.501
Q231N-CB-HN 116.425 31.386 7.504
V232N-Q231CA-V232HN 122.473 53.905 8.546
V232N-Q231CB-V232HN 122.471 31.513 8.545
V232N-CA-HN 122.471 61.969 8.550
V232N-CB-HN 122.471 30.493 8.550
S233N-CA-HN 118.886 55.540 7.630
S233N-CB-HN 118.830 65.897 7.635
T234N-S233CA-T234HN 121.560 55.461 9.542
T234N-S233CB-T234HN 121.560 65.937 9.541
A236N-Q235CA-A236HN 121.963 59.469 7.815
A236N-Q235CB-A236HN 121.963 28.236 7.811
A236N-CA-HN 121.963 54.993 7.810
A236N-CB-HN 121.963 18.565 7.810
V237N-A236CA-V237HN 117.442 55.001 8.178
V237N-A236CB-V237HN 117.445 18.640 8.176
V237N-CA-HN 117.445 66.916 8.175
V237N-CB-HN 117.445 31.929 8.176
S238N-V237CA-S238HN 115.108 66.916 8.726
S238N-V237CB-S238HN 115.096 31.926 8.719
S238N-CA-HN 115.108 62.032 8.718
A239N-S238CA-A239HN 122.119 61.945 7.644
A239N-CA-HN 122.115 54.463 7.633
A239N-CB-HN 122.119 18.374 7.630
M240N-A239CA-M240HN 117.005 54.433 7.580
M240N-A239CB-M240HN 116.941 18.393 7.577
M240N-CA-HN 117.005 57.826 7.577
M240N-CB-HN 116.956 33.856 7.575
L241N-M240CA-L241HN 118.207 57.886 7.786
L241N-M240CB-L241HN 118.207 33.898 7.797
L241N-CA-HN 118.207 55.540 7.794
L241N-CB-HN 118.207 42.386 7.797
G242N-L241CA-G242HN 113.427 55.517 7.590
G242N-L241CB-G242HN 113.427 42.350 7.590
G242N-CA-HN 113.481 46.598 7.590
;
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 3
2 . . N 15 15N . . . . . . . . . . 50595 3
stop_
save_
#########################
# Spectral peak lists #
#########################
save_peak_list_4
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_4
_Spectral_peak_list.Entry_ID 50595
_Spectral_peak_list.ID 4
_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 3
_Spectral_peak_list.Experiment_name '3D HNCO'
_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
?-?-? 119.950 177.526 8.072
Y3N-S2C-Y3HN 121.666 173.775 7.997
Q4N-Y3C-Q4HN 121.973 175.460 8.339
V5N-Q4C-V5HN 120.902 175.123 8.015
W10N-K9C-W10HN 116.772 177.456 8.122
R11N-W10C-R11HN 123.576 175.458 6.926
Q13N-P12C-Q13HN 120.964 176.512 9.331
T14N-Q13C-T14HN 109.104 175.805 7.845
F15N-T14C-F15HN 120.211 174.939 8.731
A16N-F15C-A16HN 119.487 177.398 7.980
D17N-A16C-D17HN 114.819 177.778 7.378
V18N-D17C-V18HN 121.715 176.627 7.392
V19N-V18C-V19HN 128.468 175.510 7.978
G20N-V19C-G20HN 113.695 176.159 8.675
E22N-Q21C-E22HN 121.421 178.334 9.602
V24N-H23C-V24HN 121.249 177.500 7.046
L25N-V24C-L25HN 118.218 176.710 8.064
T26N-L25C-T26HN 114.537 179.477 8.301
A27N-T26C-A27HN 123.523 176.119 7.063
L28N-A27C-L28HN 119.564 181.803 8.207
A29N-L28C-A29HN 120.843 178.447 8.484
N30N-A29C-N30HN 116.818 179.975 8.204
G31N-N30C-G31HN 106.256 177.603 7.830
L32N-G31C-L32HN 120.902 175.883 8.131
S33N-L32C-S33HN 113.997 179.378 8.240
L34N-S33C-L34HN 118.921 175.798 7.646
G35N-L34C-G35HN 108.688 177.742 7.877
R36N-G35C-R36HN 122.642 174.112 8.298
I37N-R36C-I37HN 123.151 173.705 8.034
H38N-I37C-H38HN 129.043 175.642 8.209
A40N-H39C-A40HN 121.503 175.059 7.728
Y41N-A40C-Y41HN 122.798 174.594 8.951
L42N-Y41C-L42HN 124.153 173.143 8.947
F43N-L42C-F43HN 126.529 173.404 9.636
S44N-F43C-S44HN 118.818 174.268 9.330
G45N-S44C-G45HN 107.468 173.491 7.453
T46N-G45C-T46HN 113.941 173.334 8.476
R47N-T46C-R47HN 122.077 173.534 8.355
G48N-R47C-G48HN 115.271 177.638 10.517
V49N-G48C-V49HN 116.071 176.841 7.928
G50N-V49C-G50HN 112.247 175.039 9.458
K51N-G50C-K51HN 124.942 175.701 10.787
T52N-K51C-T52HN 106.531 178.833 8.303
S53N-T52C-S53HN 119.728 176.820 7.754
I54N-S53C-I54HN 122.017 176.483 8.134
A55N-I54C-A55HN 121.263 176.980 7.490
R56N-A55C-R56HN 117.512 178.346 8.047
L57N-R56C-L57HN 119.006 178.067 7.443
L58N-L57C-L58HN 121.765 179.164 8.249
A59N-L58C-A59HN 120.516 177.676 8.331
K60N-A59C-K60HN 118.736 179.380 8.219
G61N-K60C-G61HN 108.215 179.558 8.417
L62N-G61C-L62HN 115.360 174.993 8.207
N63N-L62C-N63HN 112.260 178.351 7.178
C64N-N63C-C64HN 125.611 174.556 7.380
E65N-C64C-E65HN 135.049 177.290 9.798
T66N-E65C-T66HN 112.531 178.218 9.134
G67N-T66C-G67HN 110.543 174.692 7.325
I68N-G67C-I68HN 117.636 181.520 7.839
T69N-I68C-T69HN 123.957 178.104 8.611
A70N-T69C-A70HN 124.856 180.952 8.383
T71N-A70C-T71HN 111.546 176.942 9.138
C73N-P72C-C73HN 127.189 177.470 8.791
G74N-C73C-G74HN 114.806 176.920 9.317
V75N-G74C-V75HN 117.571 173.690 8.956
C76N-V75C-C76HN 124.849 175.803 7.462
D77N-C76C-D77HN 120.725 173.994 8.693
N78N-D77C-N78HN 119.148 177.264 7.893
C79N-N78C-C79HN 121.839 176.362 8.944
R80N-C79C-R80HN 117.660 178.444 8.388
E81N-R80C-E81HN 118.053 179.407 8.479
I82N-E81C-I82HN 120.882 179.931 8.171
E83N-I82C-E83HN 121.739 179.233 7.839
Q84N-E83C-Q84HN 113.882 177.997 7.618
G85N-Q84C-G85HN 108.949 176.400 7.836
R86N-G85C-R86HN 117.476 174.921 8.176
F87N-R86C-F87HN 123.406 174.460 8.435
V88N-F87C-V88HN 127.501 177.157 8.466
L90N-D89C-L90HN 122.253 172.822 7.445
I91N-L90C-I91HN 129.732 173.294 8.999
E92N-I91C-E92HN 127.162 174.374 8.577
I93N-E92C-I93HN 125.665 176.153 9.304
D94N-I93C-D94HN 127.865 174.094 8.842
A95N-D94C-A95HN 126.935 177.098 8.458
A96N-A95C-A96HN 117.187 177.244 8.013
S97N-A96C-S97HN 112.596 178.447 7.207
V101N-K100C-V101HN 119.827 177.109 7.817
E102N-V101C-E102HN 121.698 177.189 8.576
D103N-E102C-D103HN 120.506 177.066 8.033
T104N-D103C-T104HN 114.466 177.388 8.119
R105N-T104C-R105HN 121.631 175.068 7.934
D106N-R105C-D106HN 119.936 177.323 8.160
L107N-D106C-L107HN 121.110 178.024 8.097
L108N-L107C-L108HN 117.433 178.902 8.112
D109N-L108C-D109HN 119.859 177.406 7.826
V111N-N110C-V111HN 119.834 176.038 7.619
Y113N-Q112C-Y113HN 119.289 175.980 7.361
A116N-P115C-A116HN 128.313 175.915 10.062
R117N-A116C-R117HN 119.833 178.839 10.113
G118N-R117C-G118HN 108.594 177.209 9.848
R119N-G118C-R119HN 119.675 171.463 8.163
F120N-R119C-F120HN 113.600 175.991 8.356
K121N-F120C-K121HN 122.606 175.155 9.197
V122N-K121C-V122HN 125.990 174.280 8.818
Y123N-V122C-Y123HN 126.179 173.732 8.431
L124N-Y123C-L124HN 129.239 173.653 9.301
I125N-L124C-I125HN 124.768 175.480 9.004
D126N-I125C-D126HN 127.660 173.856 9.053
E127N-D126C-E127HN 121.668 175.578 8.159
V128N-E127C-V128HN 114.896 178.143 8.103
H129N-V128C-H129HN 115.356 173.657 8.021
M130N-H129C-M130HN 118.320 175.064 7.968
L131N-M130C-L131HN 119.636 176.349 6.977
S132N-L131C-S132HN 114.739 175.654 8.285
S135N-H134C-S135HN 118.285 179.023 7.903
F136N-S135C-F136HN 122.664 175.835 8.973
N137N-F136C-N137HN 117.399 177.798 8.190
A138N-N137C-A138HN 122.614 177.425 7.523
L139N-A138C-L139HN 121.073 180.229 8.184
L140N-L139C-L140HN 119.041 177.644 8.447
K141N-L140C-K141HN 116.524 178.094 7.653
T142N-K141C-T142HN 115.519 179.640 7.481
L143N-T142C-L143HN 118.152 175.097 7.993
E144N-L143C-E144HN 117.662 177.954 7.753
E145N-E144C-E145HN 116.814 177.087 6.985
E148N-P147C-E148HN 121.402 177.967 8.862
H149N-E148C-H149HN 110.458 177.232 7.838
V150N-H149C-V150HN 120.343 173.879 7.180
K151N-V150C-K151HN 122.241 174.553 8.526
F152N-K151C-F152HN 119.281 174.610 8.773
L153N-F152C-L153HN 124.358 173.734 9.760
L154N-L153C-L154HN 123.473 173.433 9.511
A155N-L154C-A155HN 124.320 175.155 8.998
T156N-A155C-T156HN 114.512 176.704 8.613
T157N-T156C-T157HN 118.749 172.187 8.946
D158N-T157C-D158HN 122.753 176.321 8.798
Q160N-P159C-Q160HN 116.013 177.423 8.260
K161N-Q160C-K161HN 117.252 177.243 7.503
L162N-K161C-L162HN 120.173 176.868 7.489
I166N-T165C-I166HN 117.634 176.071 6.935
L167N-I166C-L167HN 120.357 177.398 7.556
S168N-L167C-S168HN 109.410 178.950 8.136
R169N-S168C-R169HN 119.049 175.075 7.331
C170N-R169C-C170HN 113.954 175.236 7.191
L171N-C170C-L171HN 124.158 174.283 7.806
Q172N-L171C-Q172HN 124.542 175.237 8.170
F173N-Q172C-F173HN 122.285 174.684 8.945
H174N-F173C-H174HN 124.425 173.280 9.023
L175N-H174C-L175HN 129.732 175.109 8.991
K176N-L175C-K176HN 120.737 175.800 9.092
A177N-K176C-A177HN 123.406 176.622 8.440
L178N-A177C-L178HN 122.553 177.799 8.446
D179N-L178C-D179HN 120.151 176.777 8.664
V180N-D179C-V180HN 120.352 176.895 8.211
E181N-V180C-E181HN 119.460 177.457 8.351
Q182N-E181C-Q182HN 118.568 178.859 7.805
I183N-Q182C-I183HN 118.087 179.640 7.733
R184N-I183C-R184HN 120.731 176.815 8.735
H185N-R184C-H185HN 115.859 177.647 8.470
Q186N-H185C-Q186HN 118.886 177.698 7.633
L187N-Q186C-L187HN 117.934 177.969 8.429
E188N-L187C-E188HN 118.716 177.687 8.076
H189N-E188C-H189HN 117.110 177.054 7.625
I190N-H189C-I190HN 119.027 177.157 8.036
L191N-I190C-L191HN 117.225 177.534 8.323
N192N-L191C-N192HN 117.452 179.491 8.202
E193N-N192C-E193HN 122.672 179.539 8.151
E194N-E193C-E194HN 115.073 178.581 7.898
H195N-E194C-H195HN 115.149 175.771 7.686
I196N-H195C-I196HN 120.895 174.219 8.323
A197N-I196C-A197HN 133.554 175.795 8.926
H198N-A197C-H198HN 115.017 176.044 7.939
E199N-H198C-E199HN 118.214 173.282 7.319
A202N-R201C-A202HN 120.279 178.008 7.059
L203N-A202C-L203HN 113.106 178.965 7.300
Q204N-L203C-Q204HN 117.899 178.878 7.478
L205N-Q204C-L205HN 118.129 178.347 7.773
L206N-L205C-L206HN 119.664 180.315 7.893
A207N-L206C-A207HN 118.153 177.514 8.113
R208N-A207C-R208HN 116.665 179.517 7.851
A209N-R208C-A209HN 122.012 179.073 7.859
A210N-A209C-A210HN 117.825 177.982 7.414
E211N-A210C-E211HN 115.915 177.221 7.649
G212N-E211C-G212HN 104.012 177.077 8.950
S213N-G212C-S213HN 112.886 173.866 7.301
L214N-S213C-L214HN 131.949 175.225 8.962
R215N-L214C-R215HN 118.096 178.080 8.338
D216N-R215C-D216HN 121.564 179.250 8.365
A217N-D216C-A217HN 122.136 178.409 8.163
L218N-A217C-L218HN 120.055 180.721 8.517
S219N-L218C-S219HN 115.636 177.965 8.041
L220N-S219C-L220HN 122.267 178.132 8.708
T221N-L220C-T221HN 118.247 178.914 8.013
D222N-T221C-D222HN 122.203 176.006 8.376
Q223N-D222C-Q223HN 120.202 179.763 7.856
A224N-Q223C-A224HN 125.118 178.640 8.506
I225N-A224C-I225HN 119.913 179.763 8.509
A226N-I225C-A226HN 120.117 178.099 7.606
S227N-A226C-S227HN 112.767 180.329 8.083
G228N-S227C-G228HN 110.108 175.039 7.920
D229N-G228C-D229HN 120.196 174.256 8.149
G230N-D229C-G230HN 105.280 176.424 8.710
Q231N-G230C-Q231HN 116.425 173.266 7.503
V232N-Q231C-V232HN 122.471 174.556 8.547
S233N-V232C-S233HN 118.886 173.748 7.635
T234N-S233C-T234HN 121.560 174.628 9.536
A236N-Q235C-A236HN 121.963 177.862 7.809
V237N-A236C-V237HN 117.445 180.890 8.178
S238N-V237C-S238HN 115.108 177.534 8.722
A239N-S238C-A239HN 122.119 176.986 7.635
M240N-A239C-M240HN 117.005 179.228 7.576
L241N-M240C-L241HN 118.207 177.441 7.798
G242N-L241C-G242HN 113.427 177.393 7.588
;
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 4
2 . . N 15 15N . . . . . . . . . . 50595 4
stop_
save_
#########################
# Spectral peak lists #
#########################
save_peak_list_5
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_5
_Spectral_peak_list.Entry_ID 50595
_Spectral_peak_list.ID 5
_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 2
_Spectral_peak_list.Experiment_name '3D HNCA'
_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
?-?-? 119.950 57.225 8.063
Y3N-S2CA-Y3HN 121.656 58.234 7.988
Q4N-Y3CA-Q4HN 121.973 57.598 8.340
V5N-Q4CA-V5HN 120.902 55.791 8.016
R11N-W10CA-R11HN 123.554 58.369 6.922
Q13N-P12CA-Q13HN 120.964 63.173 9.322
T14N-Q13CA-T14HN 109.029 56.162 7.842
F15N-T14CA-F15HN 120.211 59.731 8.729
A16N-F15CA-A16HN 119.487 60.503 7.976
D17N-A16CA-D17HN 114.819 54.075 7.376
V18N-D17CA-V18HN 121.715 54.847 7.389
V19N-V18CA-V19HN 128.456 63.290 7.986
G20N-V19CA-G20HN 113.695 62.210 8.661
E22N-Q21CA-E22HN 121.421 53.354 9.597
V24N-H23CA-V24HN 121.249 59.114 7.041
L25N-V24CA-L25HN 118.218 64.479 8.059
T26N-L25CA-T26HN 114.537 58.060 8.302
A27N-T26CA-A27HN 123.491 66.440 7.060
L28N-A27CA-L28HN 119.564 55.210 8.206
A29N-L28CA-A29HN 120.843 57.661 8.491
N30N-A29CA-N30HN 116.818 55.605 8.200
G31N-N30CA-G31HN 106.256 56.383 7.832
L32N-G31CA-L32HN 120.902 47.866 8.132
S33N-L32CA-S33HN 113.996 58.328 8.240
L34N-S33CA-L34HN 118.921 61.474 7.652
G35N-L34CA-G35HN 108.688 55.059 7.875
R36N-G35CA-R36HN 122.642 46.304 8.297
I37N-R36CA-I37HN 123.151 54.883 8.032
H38N-I37CA-H38HN 129.043 58.932 8.206
A40N-H39CA-A40HN 121.531 57.851 7.727
Y41N-A40CA-Y41HN 122.761 51.485 8.943
L42N-Y41CA-L42HN 124.153 56.772 8.952
F43N-L42CA-F43HN 126.514 53.020 9.639
S44N-F43CA-S44HN 118.818 56.670 9.326
G45N-S44CA-G45HN 107.468 56.337 7.456
T46N-G45CA-T46HN 113.941 44.634 8.478
R47N-T46CA-R47HN 122.077 62.727 8.351
G48N-R47CA-G48HN 115.271 58.236 10.520
V49N-G48CA-V49HN 116.071 45.768 7.931
G50N-V49CA-G50HN 112.247 62.663 9.458
K51N-G50CA-K51HN 124.942 45.463 10.775
T52N-K51CA-T52HN 106.531 61.376 8.305
S53N-T52CA-S53HN 119.775 65.161 7.754
I54N-S53CA-I54HN 122.017 61.601 8.136
A55N-I54CA-A55HN 121.263 64.688 7.487
R56N-A55CA-R56HN 117.504 55.272 8.046
L57N-R56CA-L57HN 119.006 60.548 7.445
L58N-L57CA-L58HN 121.765 57.788 8.252
A59N-L58CA-A59HN 120.516 58.260 8.333
K60N-A59CA-K60HN 118.730 55.864 8.224
G61N-K60CA-G61HN 108.215 59.292 8.417
L62N-G61CA-L62HN 115.360 48.260 8.206
N63N-L62CA-N63HN 112.260 57.135 7.179
C64N-N63CA-C64HN 125.611 53.603 7.381
E65N-C64CA-E65HN 135.049 62.478 9.798
T66N-E65CA-T66HN 112.531 60.274 9.130
G67N-T66CA-G67HN 110.543 64.175 7.322
I68N-G67CA-I68HN 117.636 43.726 7.844
T69N-I68CA-T69HN 123.957 62.627 8.609
A70N-T69CA-A70HN 124.856 59.150 8.387
T71N-A70CA-T71HN 111.546 52.132 9.139
C73N-P72CA-C73HN 127.189 62.941 8.789
G74N-C73CA-G74HN 114.806 61.694 9.318
V75N-G74CA-V75HN 117.571 47.111 8.958
C76N-V75CA-C76HN 124.849 61.710 7.462
D77N-C76CA-D77HN 120.725 57.135 8.690
N78N-D77CA-N78HN 119.148 58.469 7.896
C79N-N78CA-C79HN 121.838 56.544 8.941
R80N-C79CA-R80HN 117.660 66.378 8.390
E81N-R80CA-E81HN 118.046 59.618 8.477
I82N-E81CA-I82HN 120.895 60.212 8.167
E83N-I82CA-E83HN 121.701 66.386 7.845
Q84N-E83CA-Q84HN 113.882 59.059 7.614
G85N-Q84CA-G85HN 109.029 55.828 7.839
R86N-G85CA-R86HN 117.481 46.687 8.176
F87N-R86CA-F87HN 123.406 54.420 8.443
V88N-F87CA-V88HN 127.485 55.708 8.461
L90N-D89CA-L90HN 122.253 54.084 7.443
I91N-L90CA-I91HN 129.732 54.253 8.997
E92N-I91CA-E92HN 127.162 60.775 8.576
I93N-E92CA-I93HN 125.665 55.790 9.304
D94N-I93CA-D94HN 127.865 60.218 8.837
A95N-D94CA-A95HN 126.935 52.305 8.454
A96N-A95CA-A96HN 117.187 54.308 8.012
S97N-A96CA-S97HN 112.596 53.068 7.204
V101N-K100CA-V101HN 119.827 56.535 7.816
E102N-V101CA-E102HN 121.698 64.470 8.573
D103N-E102CA-D103HN 120.506 58.224 8.038
T104N-D103CA-T104HN 114.518 55.614 8.119
R105N-T104CA-R105HN 121.638 64.443 7.935
D106N-R105CA-D106HN 119.936 58.179 8.163
L107N-D106CA-L107HN 121.110 56.027 8.092
L108N-L107CA-L108HN 117.433 57.865 8.114
D109N-L108CA-D109HN 119.827 55.346 7.828
V111N-N110CA-V111HN 119.776 53.417 7.618
Y113N-Q112CA-Y113HN 119.289 56.644 7.356
A116N-P115CA-A116HN 128.313 62.274 10.059
R117N-A116CA-R117HN 119.833 53.984 10.117
G118N-R117CA-G118HN 108.594 57.115 9.847
R119N-G118CA-R119HN 119.675 44.370 8.166
F120N-R119CA-F120HN 113.600 57.847 8.352
K121N-F120CA-K121HN 122.576 55.814 9.197
V122N-K121CA-V122HN 125.964 55.713 8.816
Y123N-V122CA-Y123HN 126.179 60.385 8.430
L124N-Y123CA-L124HN 129.239 56.902 9.300
I125N-L124CA-I125HN 124.768 53.734 8.999
D126N-I125CA-D126HN 127.660 60.468 9.049
E127N-D126CA-E127HN 121.668 53.512 8.161
V128N-E127CA-V128HN 114.896 55.522 8.100
H129N-V128CA-H129HN 115.361 64.234 8.018
M130N-H129CA-M130HN 118.320 58.678 7.964
L131N-M130CA-L131HN 119.636 54.674 6.977
S132N-L131CA-S132HN 114.739 55.448 8.284
S135N-H134CA-S135HN 118.292 59.825 7.898
F136N-S135CA-F136HN 122.664 62.446 8.966
N137N-F136CA-N137HN 117.430 61.465 8.191
A138N-N137CA-A138HN 122.614 56.445 7.520
L139N-A138CA-L139HN 121.129 55.065 8.181
L140N-L139CA-L140HN 119.080 57.866 8.450
K141N-L140CA-K141HN 116.565 58.444 7.653
T142N-K141CA-T142HN 115.519 58.950 7.483
L143N-T142CA-L143HN 118.152 66.202 7.993
E144N-L143CA-E144HN 117.662 56.862 7.752
E145N-E144CA-E145HN 116.814 58.950 6.979
E148N-P147CA-E148HN 121.413 61.950 8.866
H149N-E148CA-H149HN 110.458 59.245 7.830
V150N-H149CA-V150HN 120.343 56.862 7.184
K151N-V150CA-K151HN 122.241 60.457 8.523
F152N-K151CA-F152HN 119.264 52.773 8.776
L153N-F152CA-L153HN 124.358 58.051 9.757
L154N-L153CA-L154HN 123.473 53.521 9.512
A155N-L154CA-A155HN 124.337 53.217 8.993
T156N-A155CA-T156HN 114.512 50.316 8.616
T157N-T156CA-T157HN 118.749 61.099 8.945
D158N-T157CA-D158HN 122.753 61.719 8.791
Q160N-P159CA-Q160HN 116.013 64.683 8.259
K161N-Q160CA-K161HN 117.252 57.743 7.506
L162N-K161CA-L162HN 120.173 56.172 7.485
I166N-T165CA-I166HN 117.634 63.553 6.935
L167N-I166CA-L167HN 120.357 62.591 7.553
S168N-L167CA-S168HN 109.398 58.819 8.139
R169N-S168CA-R169HN 119.086 60.596 7.332
C170N-R169CA-C170HN 113.954 55.401 7.188
L171N-C170CA-L171HN 124.158 57.625 7.813
Q172N-L171CA-Q172HN 124.541 54.453 8.167
F173N-Q172CA-F173HN 122.285 55.165 8.944
H174N-F173CA-H174HN 124.425 57.307 9.013
L175N-H174CA-L175HN 129.721 55.187 8.987
K176N-L175CA-K176HN 120.737 56.430 9.085
A177N-K176CA-A177HN 123.397 55.329 8.436
L178N-A177CA-L178HN 122.553 52.514 8.437
D179N-L178CA-D179HN 120.151 54.211 8.666
V180N-D179CA-V180HN 120.352 53.394 8.208
E181N-V180CA-E181HN 119.460 66.531 8.354
Q182N-E181CA-Q182HN 118.568 58.587 7.801
I183N-Q182CA-I183HN 118.087 59.005 7.731
R184N-I183CA-R184HN 120.731 65.805 8.731
H185N-R184CA-H185HN 115.859 60.811 8.462
Q186N-H185CA-Q186HN 118.848 59.806 7.629
L187N-Q186CA-L187HN 117.935 58.003 8.427
E188N-L187CA-E188HN 118.716 57.961 8.074
H189N-E188CA-H189HN 117.139 60.076 7.626
I190N-H189CA-I190HN 119.027 59.767 8.033
L191N-I190CA-L191HN 117.225 65.461 8.323
N192N-L191CA-N192HN 117.445 58.313 8.203
E193N-N192CA-E193HN 122.672 55.936 8.154
E194N-E193CA-E194HN 115.073 59.123 7.898
H195N-E194CA-H195HN 115.109 55.691 7.688
I196N-H195CA-I196HN 120.895 56.644 8.325
A197N-I196CA-A197HN 133.541 60.090 8.922
H198N-A197CA-H198HN 115.017 52.813 7.933
E199N-H198CA-E199HN 118.214 54.447 7.319
A202N-R201CA-A202HN 120.317 58.850 7.059
L203N-A202CA-L203HN 113.106 55.294 7.295
Q204N-L203CA-Q204HN 117.889 57.579 7.478
L205N-Q204CA-L205HN 118.129 59.377 7.776
L206N-L205CA-L206HN 119.664 57.997 7.889
A207N-L206CA-A207HN 118.152 58.143 8.111
R208N-A207CA-R208HN 116.665 55.210 7.851
A209N-R208CA-A209HN 122.012 59.068 7.866
A210N-A209CA-A210HN 117.825 53.939 7.416
E211N-A210CA-E211HN 115.915 53.512 7.652
G212N-E211CA-G212HN 104.012 57.107 8.948
S213N-G212CA-S213HN 112.886 46.141 7.304
L214N-S213CA-L214HN 131.949 54.966 8.955
R215N-L214CA-R215HN 118.067 57.828 8.350
D216N-R215CA-D216HN 121.564 60.125 8.363
A217N-D216CA-A217HN 122.136 57.307 8.163
L218N-A217CA-L218HN 120.003 55.531 8.515
S219N-L218CA-S219HN 115.618 58.360 8.038
L220N-S219CA-L220HN 122.274 62.071 8.707
T221N-L220CA-T221HN 118.247 57.912 8.013
D222N-T221CA-D222HN 122.203 68.483 8.382
Q223N-D222CA-Q223HN 120.202 58.306 7.858
A224N-Q223CA-A224HN 125.118 59.050 8.509
I225N-A224CA-I225HN 119.913 55.491 8.518
A226N-I225CA-A226HN 120.117 65.714 7.602
S227N-A226CA-S227HN 112.826 54.600 8.080
G228N-S227CA-G228HN 110.089 60.348 7.921
D229N-G228CA-D229N 120.196 45.260 8.150
G230N-D229CA-G230HN 105.280 54.829 8.710
Q231N-G230CA-Q231HN 116.510 45.650 7.504
Q231N-G230CA-Q231HN 116.425 45.650 7.504
V232N-Q231CA-V232HN 122.471 53.885 8.548
S233N-V232CA-S233HN 118.886 61.883 7.634
T234N-S233CA-T234HN 121.560 55.513 9.534
A236N-Q235CA-A236HN 121.963 59.522 7.809
V237N-A236CA-V237HN 117.445 55.013 8.181
S238N-V237CA-S238HN 115.108 66.887 8.717
A239N-S238CA-A239HN 122.119 62.173 7.630
M240N-A239CA-M240HN 117.005 54.447 7.578
L241N-M240CA-L241HN 118.207 57.834 7.793
G242N-L241CA-G242HN 113.427 55.573 7.587
;
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 5
2 . . N 15 15N . . . . . . . . . . 50595 5
stop_
save_
#########################
# Spectral peak lists #
#########################
save_peak_list_6
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_6
_Spectral_peak_list.Entry_ID 50595
_Spectral_peak_list.ID 6
_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 6
_Spectral_peak_list.Experiment_name '2D 1H-13C HSQC'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_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
?-? 41.953 1.251
?-? 29.444 2.088
?-? 29.904 1.718
?-? 21.028 1.438
?-? 22.006 1.273
?-? 65.742 3.764
?-? 65.747 3.779
?-? 20.217 1.478
?-? 20.237 1.412
?-? 26.841 1.571
?-? 27.302 1.494
?-? 50.953 3.941
?-? 50.250 3.991
?-? 27.720 2.195
?-? 50.637 4.182
?-? 50.611 3.560
?-? 58.487 3.608
?-? 30.145 2.384
?-? 29.599 1.811
?-? 63.813 4.146
?-? 31.032 1.948
?-? 41.934 1.173
?-? 32.371 1.796
?-? 42.228 1.758
?-? 28.316 1.855
?-? 30.372 2.918
?-? 59.788 4.259
?-? 61.749 4.831
?-? 41.468 2.998
?-? 50.579 3.209
?-? 49.354 3.205
?-? 34.013 1.854
?-? 32.245 2.315
?-? 50.043 3.451
?-? 50.041 2.898
?-? 61.906 3.955
?-? 62.040 4.632
?-? 42.248 1.674
?-? 24.693 1.504
?-? 25.768 1.863
?-? 32.159 1.619
?-? 18.452 1.058
?-? 50.197 3.312
?-? 29.146 3.042
?-? 22.540 1.698
?-? 23.815 1.451
?-? 23.805 1.686
?-? 41.911 1.694
?-? 67.863 3.533
?-? 63.874 4.406
?-? 52.729 4.934
?-? 67.841 4.148
?-? 66.989 4.061
?-? 27.594 1.662
?-? 27.594 1.995
?-? 25.278 1.686
?-? 25.509 1.778
?-? 25.590 1.825
?-? 32.722 2.087
?-? 25.060 1.518
?-? 62.712 4.364
?-? 21.607 1.216
?-? 61.193 3.857
?-? 40.901 3.204
?-? 30.341 3.382
?-? 18.399 1.334
?-? 23.015 0.784
?-? 42.440 1.257
?-? 24.308 0.901
?-? 56.199 4.334
?-? 25.579 0.657
?-? 20.719 1.011
?-? 44.689 4.254
?-? 22.776 0.592
?-? 60.085 3.893
?-? 32.162 2.425
?-? 32.845 2.359
?-? 32.731 2.257
?-? 32.831 2.322
?-? 49.879 3.589
?-? 36.410 1.920
?-? 36.301 1.819
?-? 22.797 1.840
M1CA-HA 55.522 4.518
M1CB-HB2 33.124 2.013
M1CB-HB3 33.096 1.969
M1CE-HE 17.075 2.074
M1CG-HG2 32.039 2.532
S2CA-HA 58.099 4.403
S2CB-HB2 63.860 3.759
Y3CA-HA 57.596 4.606
Y3CB-HB2 39.001 2.893
Y3CB-HB3 38.987 3.080
Q4CA-HA 55.720 4.333
Q4CB-HB2 30.067 1.908
Q4CB-HB3 30.116 2.022
Q4CG-HG2 33.890 2.293
V5CB-HB 32.067 2.223
V5CG1-HG1 21.865 0.949
V5CG2-HG2 20.504 0.941
L6CD1-HD1 22.903 0.784
L6CD2-HD2 25.772 0.705
W10CA-HA 58.357 4.299
W10CB-HB2 27.377 3.533
R11CD-HD2 43.340 3.212
R11CG-HG2 27.000 1.743
P12CA-HA 63.040 4.355
Q13CA-HA 56.252 4.244
Q13CB-HB2 30.752 2.260
Q13CB-HB3 30.706 1.987
T14CA-HA 59.789 4.386
T14CB-HB 72.291 4.458
T14CG2-HG2 21.498 1.125
F15CA-HA 60.509 4.265
F15CB-HB2 38.023 3.202
A16CA-HA 54.150 4.190
A16CB-HB 18.476 1.383
D17CA-HA 54.870 4.625
D17CB-HB2 43.351 3.137
V18CA-HA 63.285 3.800
V18CB-HB 31.712 2.229
V18CG1-HG1 22.528 0.899
V18CG2-HG2 21.703 0.858
V19CB-HB 32.315 1.929
V19CG1-HG1 21.609 0.900
V19CG2-HG2 21.567 0.937
E22CA-HA 61.674 3.859
E22CB-HB2 28.992 2.080
E22CG-HG2 36.412 2.346
H23CA-HA 58.992 4.510
V24CA-HA 64.369 3.822
V24CB-HB 32.850 1.993
V24CG1-HG1 21.673 0.734
V24CG2-HG2 20.814 0.702
L25CA-HA 58.077 3.610
L25CB-HB2 41.074 1.724
L25CD1-HD1 25.941 0.886
L25CD2-HD2 22.752 0.567
T26CA-HA 66.291 3.949
T26CB-HB 68.748 4.195
T26CG2-HG2 21.718 1.290
A27CA-HA 55.202 4.310
A27CB-HB 18.868 1.723
L28CA-HA 57.767 4.106
L28CB-HB2 42.266 1.485
L28CD1-HD1 23.902 0.528
L28CD2-HD2 25.796 0.537
L28CG-HG 26.011 1.445
A29CA-HA 55.526 3.894
A29CB-HB 18.060 1.442
N30CA-HA 56.377 4.458
N30CB-HB2 38.571 2.976
N30CB-HB3 38.515 2.808
G31CA-HA2 48.039 4.066
G31CA-HA3 47.935 3.908
L32CA-HA 58.276 3.862
L32CB-HB2 42.139 1.157
L32CD1-HD1 25.345 0.779
L32CD2-HD2 23.234 0.661
S33CA-HA 61.455 4.301
S33CB-HB2 63.242 4.014
L34CA-HA 55.078 4.442
L34CB-HB2 42.869 1.791
L34CB-HB3 42.852 1.662
L34CD1-HD1 25.196 0.903
L34CD2-HD2 22.779 0.901
L34CG-HG 27.475 1.951
G35CA-HA2 46.263 4.164
G35CA-HA3 46.370 3.589
R36CA-HA 54.900 4.545
R36CB-HB2 29.836 1.851
R36CB-HB3 29.860 1.688
R36CD-HD2 43.509 3.210
R36CG-HG2 26.912 1.523
I37CA-HA 58.957 4.317
I37CB-HB 38.579 1.909
I37CD1-HD1 12.333 0.768
I37CG1-HG12 26.530 1.308
I37CG1-HG13 26.548 1.234
I37CG2-HG2 17.652 0.908
H39CA-HA 57.808 4.672
H39CB-HB2 31.418 3.215
A40CA-HA 51.439 5.807
A40CB-HB 22.679 1.345
Y41CA-HA 56.863 4.809
Y41CB-HB2 42.384 2.910
L42CA-HA 53.062 5.276
L42CD1-HD1 26.508 0.674
L42CD2-HD2 25.297 0.765
L42CG-HG 27.785 1.385
F43CA-HA 56.648 5.575
F43CB-HB2 40.931 2.937
S44CA-HA 56.258 6.150
S44CB-HB2 66.885 3.571
G45CA-HA2 44.704 4.478
G45CA-HA3 44.690 3.944
T46CA-HA 62.694 4.282
T46CB-HB 69.849 4.334
T46CG2-HG2 21.923 1.441
R47CB-HB2 30.065 1.835
G48CA-HA2 45.550 3.953
V49CA-HA 62.643 4.600
V49CB-HB 32.185 2.349
V49CG1-HG1 21.582 0.921
V49CG2-HG2 19.839 1.024
G50CA-HA2 45.495 3.830
G50CA-HA3 45.447 4.456
K51CA-HA 61.358 3.601
T52CA-HA 65.226 3.790
T52CB-HB 68.583 4.235
T52CG2-HG2 22.635 1.142
S53CA-HA 61.539 4.132
S53CB-HB2 62.566 3.694
I54CA-HA 64.643 3.458
I54CB-HB 36.194 1.456
I54CD1-HD1 13.181 0.724
I54CG1-HG12 30.011 1.023
I54CG1-HG13 29.850 1.560
I54CG2-HG2 17.881 0.356
A55CA-HA 55.281 3.605
A55CB-HB 17.894 1.231
R56CA-HA 60.597 3.540
R56CB-HB2 29.818 2.084
L57CA-HA 57.730 3.712
L57CD1-HD1 25.316 0.309
L57CD2-HD2 23.168 0.245
L57CG-HG 26.272 1.510
L58CA-HA 58.346 4.108
L58CB-HB2 41.424 2.223
L58CD1-HD1 24.006 0.824
L58CD2-HD2 26.372 0.357
L58CG-HG 27.400 1.310
A59CA-HA 55.855 3.806
A59CB-HB 18.364 1.481
K60CA-HA 59.246 4.004
K60CB-HB2 34.137 1.698
K60CD-HD2 29.707 1.589
K60CE-HE2 41.990 2.863
K60CE-HE3 41.993 2.708
K60CG-HG2 25.004 1.231
G61CA-HA2 48.236 4.053
G61CA-HA3 48.224 3.895
L62CA-HA 57.223 4.262
L62CB-HB2 42.410 1.915
L62CD1-HD1 25.448 0.473
L62CD2-HD2 23.487 0.668
N63CA-HA 53.640 5.181
N63CB-HB2 42.104 2.795
C64CA-HA 62.474 4.179
C64CB-HB2 27.355 3.004
E65CA-HA 60.342 4.129
E65CB-HB2 30.677 2.235
E65CG-HG2 37.957 2.437
E65CG-HG3 38.014 2.737
T66CA-HA 64.198 4.266
T66CB-HB 70.222 4.371
T66CG2-HG2 21.931 1.450
G67CA-HA2 43.837 4.326
G67CA-HA3 43.823 3.649
I68CA-HA 62.571 4.464
I68CB-HB 37.944 1.750
I68CD1-HD1 14.292 1.188
I68CG2-HG2 18.743 0.968
T69CA-HA 59.109 4.683
T69CB-HB 68.985 3.881
A70CA-HA 52.050 4.203
A70CB-HB 19.307 1.412
T71CA-HA 56.839 4.575
T71CB-HB 69.133 4.191
T71CG2-HG2 20.927 1.054
P72CA-HA 62.930 4.237
P72CB-HB2 32.137 2.373
C73CA-HA 61.749 4.371
C73CB-HB2 30.432 3.020
G74CA-HA2 47.082 4.343
G74CA-HA3 47.065 3.628
V75CA-HA 61.744 4.535
V75CB-HB 34.278 2.299
V75CG1-HG1 19.070 0.831
V75CG2-HG2 21.318 0.858
C76CA-HA 57.118 4.731
C76CB-HB2 30.520 3.040
D77CA-HA 58.397 4.233
D77CB-HB2 40.098 2.737
N78CA-HA 56.542 3.801
N78CB-HB2 36.933 2.938
C79CA-HA 66.330 3.598
C79CB-HB2 29.254 2.670
R80CA-HA 59.617 3.839
R80CB-HB2 30.237 1.716
R80CD-HD2 43.253 3.161
R80CG-HG2 27.866 1.430
E81CB-HB2 29.454 1.897
E81CG-HG2 37.942 2.127
I82CA-HA 66.469 3.682
I82CD1-HD1 13.366 0.488
I82CG2-HG2 16.779 0.698
E83CA-HA 59.064 3.916
E83CB-HB2 29.524 2.157
E83CG-HG2 35.562 2.260
Q84CA-HA 55.890 4.223
Q84CB-HB2 29.563 2.238
Q84CB-HB3 29.628 1.938
Q84CG-HG2 34.059 2.562
G85CA-HA2 46.664 4.040
R86CA-HA 54.489 4.732
R86CB-HB2 31.413 1.904
R86CB-HB3 31.366 1.641
R86CD-HD2 43.589 3.210
R86CG-HG2 26.978 1.505
F87CA-HA 55.616 5.038
F87CB-HB2 40.433 3.051
V88CB-HB 31.424 2.007
V88CG1-HG1 19.952 0.759
V88CG2-HG2 19.834 0.714
D89CA-HA 54.137 4.720
D89CB-HB2 42.542 3.309
L90CA-HA 54.391 5.264
L90CD1-HD1 27.508 0.944
L90CD2-HD2 24.619 0.767
I91CA-HA 60.815 4.028
I91CB-HB 38.065 1.320
I91CD1-HD1 13.640 0.462
I91CG1-HG12 28.214 1.085
I91CG1-HG13 28.206 0.954
I91CG2-HG2 18.994 0.851
E92CA-HA 55.733 5.158
E92CG-HG2 37.329 1.986
E92CG-HG3 37.423 2.297
I93CA-HA 60.383 4.290
I93CB-HB 41.881 1.876
I93CD1-HD1 14.082 0.988
I93CG1-HG12 27.474 1.173
I93CG2-HG2 17.220 0.869
D94CA-HA 52.340 4.875
D94CB-HB2 40.376 2.932
D94CB-HB3 40.350 2.724
A95CA-HA 54.289 3.974
A95CB-HB 19.339 1.249
A96CA-HA 53.066 4.201
A96CB-HB 19.273 1.490
S97CA-HA 58.436 4.400
S97CB-HB2 63.471 3.957
T99CA-HA 58.161 3.835
T99CB-HB 65.089 3.833
K100CA-HA 56.453 4.491
V101CA-HA 64.469 3.949
V101CB-HB 32.304 2.136
V101CG1-HG1 21.244 0.996
V101CG2-HG2 21.280 1.034
E102CA-HA 58.235 4.186
E102CB-HB2 29.485 2.009
E102CG-HG2 36.570 2.303
D103CA-HA 55.677 4.581
D103CB-HB2 41.215 2.731
T104CA-HA 64.540 4.044
T104CB-HB 69.093 4.300
T104CG2-HG2 22.193 1.185
R105CA-HA 58.191 4.058
R105CB-HB2 30.142 1.853
R105CD-HD2 43.332 3.088
R105CG-HG2 26.875 1.600
D106CA-HA 56.109 4.493
D106CB-HB2 41.001 2.739
L107CA-HA 57.885 4.163
L107CB-HB2 42.764 1.546
L107CD1-HD1 23.913 0.906
L107CD2-HD2 25.412 0.909
L107CG-HG 27.134 1.776
L108CA-HA 55.227 4.259
L108CB-HB2 41.102 1.805
L108CD1-HD1 25.989 0.783
L108CD2-HD2 22.777 0.581
D109CA-HA 56.126 4.574
D109CB-HB2 41.113 2.734
N110CA-HA 53.304 4.886
N110CB-HB2 38.745 2.809
N110CB-HB3 38.784 2.903
V111CA-HA 64.701 4.045
V111CB-HB 31.921 2.183
V111CG1-HG1 21.123 0.942
V111CG2-HG2 21.979 1.014
Q112CA-HA 56.724 4.168
Y113CA-HA 57.829 4.495
Y113CB-HB2 38.377 3.158
P115CA-HA 62.285 4.188
P115CB-HB2 31.704 1.856
A116CA-HA 53.943 4.195
A116CB-HB 20.313 1.330
R117CA-HA 57.150 4.441
R117CB-HB2 34.421 1.802
R117CB-HB3 34.441 1.557
R117CD-HD2 43.085 3.325
R117CD-HD3 43.120 3.264
R117CG-HG2 27.309 1.670
R117CG-HG3 27.289 1.575
G118CA-HA2 44.651 3.923
G118CA-HA3 44.298 3.618
R119CA-HA 57.879 3.978
F120CA-HA 55.704 5.249
F120CB-HB2 43.671 2.977
K121CA-HA 55.749 4.728
K121CB-HB2 34.288 1.399
V122CA-HA 60.386 4.901
V122CB-HB 34.228 2.008
V122CG1-HG1 22.354 0.756
Y123CA-HA 56.896 5.027
Y123CB-HB2 41.169 2.517
L124CA-HA 53.724 5.830
L124CB-HB2 44.704 1.931
L124CB-HB3 44.628 1.265
L124CD1-HD1 25.280 0.782
L124CD2-HD2 23.779 0.784
L124CG-HG 29.146 1.685
I125CA-HA 60.447 5.134
I125CB-HB 38.952 2.069
I125CD1-HD1 13.612 0.959
I125CG2-HG2 17.868 0.911
D126CA-HA 53.516 5.116
D126CB-HB2 43.467 2.544
D126CB-HB3 43.455 2.769
E127CA-HA 55.575 5.144
V128CA-HA 64.221 3.590
V128CB-HB 31.614 2.179
V128CG1-HG1 20.276 1.071
V128CG2-HG2 22.878 1.106
H129CA-HA 58.743 4.484
M130CA-HA 54.664 4.425
M130CB-HB2 31.022 2.131
M130CE-HE 16.695 2.132
L131CA-HA 55.458 4.077
L131CD1-HD1 26.515 0.661
L131CD2-HD2 23.084 0.806
S132CA-HA 57.411 4.376
S132CB-HB2 64.955 4.106
H134CA-HA 59.949 4.370
H134CB-HB2 30.733 3.181
H134CB-HB3 30.716 3.084
S135CA-HA 62.439 4.297
F136CA-HA 61.537 4.152
F136CB-HB2 38.469 3.084
N137CA-HA 56.410 4.389
N137CB-HB2 38.065 2.897
N137CB-HB3 38.024 2.783
A138CA-HA 55.106 4.075
A138CB-HB 18.485 1.437
L139CA-HA 57.886 3.695
L139CB-HB2 42.022 1.127
L139CD1-HD1 25.781 0.526
L139CD2-HD2 23.213 0.203
L139CG-HG 26.890 1.105
L140CA-HA 58.500 3.626
L140CB-HB2 41.477 1.701
L140CB-HB3 41.402 1.426
L140CD1-HD1 23.634 0.744
L140CD2-HD2 25.037 0.777
L140CG-HG 27.023 1.460
K141CA-HA 58.963 3.987
K141CB-HB2 31.886 1.863
K141CD-HD2 28.685 1.649
K141CE-HE2 42.094 2.951
K141CG-HG2 24.653 1.474
T142CA-HA 66.165 3.951
T142CB-HB 68.116 4.077
T142CG2-HG2 23.034 1.248
L143CA-HA 56.704 3.824
L143CB-HB2 41.914 1.230
L143CD1-HD1 23.467 0.514
L143CD2-HD2 25.875 0.466
L143CG-HG 26.611 1.480
E144CA-HA 58.899 3.914
E144CB-HB2 30.243 2.077
E144CB-HB3 30.298 1.967
E144CG-HG2 36.756 2.455
E144CG-HG3 36.755 2.080
E145CA-HA 53.733 4.533
E145CB-HB2 30.264 1.986
E145CB-HB3 30.278 1.822
E145CG-HG2 36.449 2.135
E148CA-HA 59.206 4.148
E148CB-HB2 30.159 2.128
E148CG-HG2 36.513 2.346
H149CA-HA 56.847 5.105
H149CB-HB2 31.029 3.214
V150CA-HA 60.473 5.408
V150CB-HB 34.465 1.695
V150CG1-HG1 22.674 0.750
V150CG2-HG2 22.674 0.658
K151CA-HA 52.786 5.162
F152CA-HA 58.062 5.184
F152CB-HB2 41.612 3.123
L153CA-HA 53.539 5.281
L153CD1-HD1 25.482 0.950
L153CD2-HD2 28.033 0.856
L154CA-HA 53.149 5.301
L154CB-HB2 44.648 1.418
L154CD1-HD1 25.383 0.883
L154CD2-HD2 25.059 1.051
A155CA-HA 50.299 6.180
A155CB-HB 22.584 1.545
T156CA-HA 61.043 5.423
T156CB-HB 68.882 4.577
T157CA-HA 61.624 5.036
T157CB-HB 71.198 4.486
T157CG2-HG2 22.149 1.569
D158CA-HA 51.625 5.026
D158CB-HB2 41.021 1.722
D158CB-HB3 41.167 2.068
P159CA-HA 64.769 4.055
P159CB-HB2 31.421 1.915
Q160CA-HA 57.718 4.156
Q160CB-HB2 27.738 2.117
Q160CG-HG2 34.486 2.439
K161CA-HA 56.269 4.220
K161CB-HB2 33.182 2.114
K161CD-HD2 29.078 1.712
K161CD-HD3 28.928 1.566
K161CE-HE2 42.300 3.014
K161CG-HG2 25.995 1.429
K161CG-HG3 25.933 1.328
L162CA-HA 52.410 4.444
L162CB-HB2 41.903 1.904
L162CD1-HD1 26.730 0.921
L162CD2-HD2 25.095 0.928
T165CA-HA 63.612 3.915
T165CB-HB 67.801 4.089
I166CA-HA 62.582 3.848
I166CB-HB 37.914 1.743
I166CD1-HD1 12.049 0.628
I166CG1-HG12 29.051 1.389
I166CG1-HG13 29.029 1.037
I166CG2-HG2 16.783 0.690
L167CA-HA 58.764 3.671
L167CB-HB2 42.261 1.497
L167CD1-HD1 23.595 0.726
L167CD2-HD2 25.267 0.786
L167CG-HG 26.580 1.457
S168CA-HA 60.574 4.225
S168CB-HB2 63.441 3.950
R169CA-HA 55.457 4.580
R169CB-HB2 31.661 2.133
R169CB-HB3 31.634 1.721
R169CD-HD2 43.060 3.066
R169CG-HG2 27.591 1.696
C170CA-HA 57.612 4.668
C170CB-HB2 30.694 2.601
L171CA-HA 54.498 4.174
L171CB-HB2 41.736 1.088
L171CB-HB3 41.697 0.687
L171CD1-HD1 24.215 0.548
L171CD2-HD2 24.129 0.515
L171CG-HG 26.634 0.828
Q172CA-HA 55.149 4.955
Q172CB-HB2 30.901 1.855
Q172CB-HB3 31.003 1.621
Q172CG-HG2 34.003 2.101
F173CA-HA 57.354 4.641
F173CB-HB2 42.527 2.822
H174CA-HA 55.214 5.265
H174CB-HB2 31.512 3.182
H174CB-HB3 31.596 2.876
L175CD1-HD1 26.108 1.072
L175CD2-HD2 26.201 0.845
L175CG-HG 30.429 1.788
K176CA-HA 55.295 4.573
K176CB-HB2 35.696 2.046
K176CB-HB3 35.696 1.829
K176CD-HD2 29.437 1.724
K176CE-HE2 42.000 2.869
K176CE-HE3 41.992 2.943
K176CG-HG2 25.130 1.592
A177CA-HA 52.577 4.254
A177CB-HB 19.163 1.456
L178CA-HA 54.268 4.518
L178CB-HB2 43.080 1.449
L178CD1-HD1 26.429 0.920
L178CD2-HD2 22.983 0.905
D179CA-HA 53.347 4.705
D179CB-HB2 42.809 2.940
D179CB-HB3 42.750 2.735
V180CA-HA 66.622 3.546
V180CB-HB 31.937 2.104
V180CG1-HG1 22.660 1.042
V180CG2-HG2 21.008 0.966
E181CA-HA 58.613 4.232
Q182CA-HA 59.099 4.150
Q182CB-HB2 30.153 1.908
Q182CB-HB3 29.968 2.454
Q182CG-HG2 35.216 2.376
Q182CG-HG3 35.238 2.613
I183CA-HA 65.771 3.417
I183CB-HB 37.850 1.880
I183CD1-HD1 12.422 0.635
I183CG2-HG2 18.054 0.707
R184CA-HA 60.797 3.485
R184CB-HB2 29.950 1.879
R184CB-HB3 29.997 1.754
H185CA-HA 59.859 4.171
H185CB-HB2 29.933 3.199
H185CB-HB3 29.925 3.297
Q186CA-HA 58.028 4.155
Q186CB-HB2 27.515 1.935
L187CA-HA 57.999 3.680
L187CB-HB2 42.284 1.161
L187CD1-HD1 21.749 0.564
L187CD2-HD2 25.513 0.682
L187CG-HG 26.283 1.780
E188CA-HA 60.088 3.166
E188CG-HG2 36.478 1.996
H189CA-HA 59.818 4.354
H189CB-HB2 29.954 2.923
I190CA-HA 65.403 2.665
I190CB-HB 38.074 1.280
I190CD1-HD1 15.204 -0.003
I190CG2-HG2 14.591 0.374
L191CA-HA 58.234 3.718
L191CB-HB2 39.684 1.312
L191CD1-HD1 22.470 0.560
L191CD2-HD2 26.971 0.444
N192CA-HA 55.951 4.604
N192CB-HB2 37.798 2.746
N192CB-HB3 37.479 3.019
E193CA-HA 59.040 3.926
E194CA-HA 55.672 4.350
E194CB-HB2 30.315 1.683
H195CA-HA 56.620 4.208
H195CB-HB2 26.171 3.379
H195CB-HB3 26.129 3.532
I196CA-HA 60.146 4.294
I196CB-HB 39.377 1.640
I196CD1-HD1 13.153 0.816
I196CG1-HG12 27.462 1.157
I196CG2-HG2 17.097 0.981
A197CA-HA 52.807 4.300
A197CB-HB 19.262 1.397
H198CA-HA 54.400 5.244
R201CA-HA 58.893 4.098
R201CB-HB2 29.636 1.907
R201CD-HD2 43.288 3.188
R201CD-HD3 43.281 3.309
R201CG-HG2 27.057 1.647
A202CA-HA 55.304 3.847
A202CB-HB 18.842 1.401
L203CA-HA 57.556 3.951
L203CB-HB2 41.259 2.023
L203CD1-HD1 22.752 0.575
L203CD2-HD2 25.327 0.661
Q204CA-HA 59.404 3.836
Q204CB-HB2 28.322 2.198
Q204CG-HG2 34.295 2.361
L205CA-HA 57.995 3.974
L205CD1-HD1 22.209 0.832
L205CD2-HD2 25.624 0.846
L206CA-HA 58.164 3.820
L206CB-HB2 42.878 1.776
L206CD1-HD1 25.809 0.782
L206CD2-HD2 24.217 0.729
L206CG-HG 29.297 1.243
A207CA-HA 55.198 3.821
A207CB-HB 19.095 1.448
R208CA-HA 59.015 4.015
R208CB-HB2 30.433 1.912
R208CD-HD2 43.415 3.211
R208CG-HG2 27.692 1.836
A209CA-HA 53.987 4.215
A209CB-HB 19.228 1.472
A210CA-HA 53.500 3.945
A210CB-HB 18.985 1.646
E211CA-HA 57.088 3.963
E211CB-HB2 28.292 2.238
E211CB-HB3 28.215 1.922
E211CG-HG2 36.139 2.247
E211CG-HG3 36.123 2.348
G212CA-HA2 46.179 4.210
G212CA-HA3 46.053 4.107
S213CA-HA 54.958 4.728
L214CA-HA 57.861 4.073
L214CD1-HD1 23.337 0.817
L214CD2-HD2 26.562 0.943
R215CA-HA 60.120 4.031
D216CA-HA 57.336 4.520
D216CB-HB2 39.445 2.709
A217CA-HA 55.547 3.929
A217CB-HB 18.800 1.493
L218CA-HA 58.424 3.870
L218CD1-HD1 22.757 0.564
L218CD2-HD2 22.783 0.584
S219CA-HA 62.108 4.419
S219CB-HB2 62.850 4.071
L220CA-HA 57.953 4.074
L220CD1-HD1 22.793 0.818
L220CD2-HD2 25.674 0.739
L220CG-HG 26.814 1.848
T221CA-HA 68.502 3.664
T221CB-HB 67.032 4.275
D222CA-HA 58.256 4.582
D222CB-HB2 40.993 2.960
Q223CA-HA 59.014 4.000
Q223CB-HB2 28.498 2.225
Q223CG-HG2 34.276 2.485
A224CA-HA 55.470 4.099
A224CB-HB 18.858 1.543
I225CA-HA 65.672 3.378
I225CB-HB 38.396 1.919
I225CD1-HD1 15.072 0.840
I225CG2-HG2 17.503 0.759
A226CA-HA 54.646 4.156
A226CB-HB 18.551 1.526
S227CA-HA 60.297 4.438
S227CB-HB2 63.871 4.021
G228CA-HA2 45.417 4.406
G228CA-HA3 45.401 4.022
D229CA-HA 54.850 4.525
D229CB-HB2 40.157 2.957
D229CB-HB3 40.098 2.714
G230CA-HA2 45.564 4.440
G230CA-HA3 45.784 3.555
Q231CA-HA 53.895 4.814
Q231CB-HB2 31.431 1.997
Q231CG-HG2 33.304 2.266
Q231CG-HG3 33.293 2.157
V232CA-HA 61.932 4.046
V232CB-HB 30.436 2.117
V232CG1-HG1 22.779 0.748
V232CG2-HG2 22.773 0.794
S233CA-HA 55.497 4.680
S233CB-HB2 66.140 4.288
Q235CA-HA 59.464 4.009
Q235CB-HB2 28.121 1.993
Q235CG-HG2 33.665 2.402
A236CA-HA 54.944 4.162
A236CB-HB 18.565 1.505
V237CA-HA 66.932 3.669
V237CB-HB 31.819 2.102
V237CG1-HG1 22.765 0.990
V237CG2-HG2 24.514 1.071
S238CA-HA 62.135 4.108
S238CB-HB2 62.619 3.907
A239CA-HA 54.427 4.207
A239CB-HB 18.383 1.499
M240CA-HA 57.856 4.227
M240CB-HB2 33.835 2.242
M240CE-HE 17.590 2.094
M240CG-HG2 31.506 2.565
L241CA-HA 55.521 4.331
L241CB-HB2 42.217 1.808
L241CB-HB3 42.261 1.601
L241CD1-HD1 26.679 0.754
L241CD2-HD2 22.417 0.816
G242CA-HA2 46.599 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 6
2 . . N 15 15N . . . . . . . . . . 50595 6
stop_
save_
#########################
# Spectral peak lists #
#########################
save_peak_list_7
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_7
_Spectral_peak_list.Entry_ID 50595
_Spectral_peak_list.ID 7
_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 7
_Spectral_peak_list.Experiment_name '3D CCH-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
?-?-? 55.562 48.229 4.691
?-?-? 55.750 47.581 4.706
?-?-? 55.680 46.996 4.606
?-?-? 26.548 30.854 1.227
?-?-? 25.597 54.940 0.904
?-?-? 60.597 29.415 3.525
M1CA-CA-HA 55.522 55.550 4.518
M1CA-CB-HA 55.522 33.161 4.518
M1CA-CG-HA 55.522 32.074 4.515
M1CB-CA-HB2 33.124 55.421 2.010
M1CB-CA-HB3 33.124 55.405 1.969
M1CB-CB-HB2 33.124 33.089 2.008
M1CB-CB-HB3 33.124 33.097 1.971
M1CB-CG-HB2 33.124 32.106 2.014
M1CB-CG-HB3 33.124 32.074 1.970
M1CE-CE-HE 17.075 17.108 2.078
M1CG-CA-HG2 32.039 55.584 2.534
M1CG-CB-HG2 32.039 33.052 2.531
M1CG-CG-HG2 32.039 32.082 2.531
S2CA-CA-HA 58.099 58.275 4.400
S2CA-CB-HA 58.099 63.767 4.407
S2CB-CA-HB2 63.853 58.315 3.760
S2CB-CB-HB2 63.853 63.914 3.765
Y3CA-CA-HA 57.596 57.637 4.608
Y3CA-CB-HA 57.593 38.953 4.610
Y3CB-CA-HB2 39.001 57.597 2.892
Y3CB-CA-HB3 38.987 57.477 3.087
Y3CB-CB-HB2 39.001 39.033 2.896
Y3CB-CB-HB3 38.987 39.099 3.085
Q4CA-CA-HA 55.720 55.748 4.349
Q4CA-CB-HA 55.727 30.056 4.345
Q4CA-CG-HA 55.720 33.846 4.340
Q4CB-CB-HB2 30.067 30.082 1.914
Q4CB-CB-HB3 30.116 30.117 2.034
Q4CB-CG-HB2 30.067 33.941 1.907
Q4CB-CG-HB3 30.116 33.849 2.035
Q4CG-CA-HG2 33.890 55.903 2.294
Q4CG-CB-HG2 33.890 30.000 2.298
Q4CG-CG-HG2 33.890 33.935 2.290
V5CG1-CB-HG1 21.865 32.150 0.952
V5CG1-CG1-HG1 21.865 21.772 0.948
V5CG1-CG2-HG1 21.865 20.510 0.947
V5CG2-CB-HG2 20.504 31.973 0.941
V5CG2-CG1-HG2 20.504 21.829 0.940
V5CG2-CG2-HG2 20.504 20.562 0.940
L6CD1-CB-HD1 22.903 42.295 0.784
L6CD1-CD1-HD1 22.903 22.793 0.782
L6CD1-CD2-HD1 22.903 25.795 0.784
L6CD2-CB-HD2 25.776 42.207 0.706
L6CD2-CD1-HD2 25.776 22.910 0.708
L6CD2-CD2-HD2 25.776 25.766 0.703
L6CD2-CG-HD2 25.776 26.979 0.703
W10CA-CA-HA 58.357 58.384 4.294
W10CA-CB-HA 58.357 27.504 4.304
W10CB-CB-HB2 27.377 27.313 3.537
R11CG-CB-HG2 27.000 30.404 1.743
R11CG-CD-HG2 27.000 43.380 1.736
R11CG-CG-HG2 27.000 27.002 1.748
T14CA-CA-HA 59.789 59.871 4.385
T14CA-CB-HA 59.775 72.178 4.394
T14CB-CA-HB 72.291 59.764 4.463
T14CB-CG2-HB 72.291 21.444 4.460
T14CG2-CG2-HG2 21.498 21.404 1.127
F15CA-CA-HA 60.509 60.500 4.268
F15CA-CB-HA 60.505 37.951 4.263
F15CB-CB-HB2 38.023 38.128 3.207
A16CA-CA-HA 54.150 54.171 4.193
A16CA-CB-HA 54.146 18.531 4.212
A16CB-CA-HB 18.476 54.082 1.383
A16CB-CB-HB 18.499 18.525 1.388
D17CA-CA-HA 54.870 54.895 4.621
D17CA-CB-HA 54.870 43.428 4.621
D17CB-CA-HB2 43.383 54.939 3.136
D17CB-CB-HB2 43.351 43.330 3.144
V18CA-CA-HA 63.265 63.238 3.798
V18CB-CB-HB 31.707 31.709 2.245
V18CG1-CB-HG1 22.528 31.643 0.890
V18CG1-CG1-HG1 22.528 22.670 0.902
V18CG2-CB-HG2 21.703 31.609 0.855
V18CG2-CG1-HG2 21.703 22.389 0.855
V18CG2-CG2-HG2 21.703 21.546 0.860
V19CB-CA-HB 32.315 62.248 1.932
V19CB-CB-HB 32.315 32.291 1.928
V19CB-CG2-HB 32.315 21.579 1.919
V19CG1-CB-HG1 21.605 32.463 0.902
V19CG1-CG1-HG1 21.605 21.558 0.897
V19CG2-CG2-HG2 21.567 21.649 0.942
E22CA-CA-HA 61.674 61.518 3.862
E22CA-CB-HA 61.674 28.905 3.860
E22CB-CB-HB2 28.992 28.964 2.089
E22CB-CG-HB2 28.992 36.485 2.077
E22CG-CA-HG2 36.412 61.558 2.359
E22CG-CB-HG2 36.412 29.025 2.355
E22CG-CG-HG2 36.412 36.257 2.355
V24CA-CA-HA 64.370 64.322 3.827
V24CB-CA-HB 32.850 64.467 1.994
V24CB-CB-HB 32.850 32.847 1.993
V24CB-CG1-HB 32.850 21.650 1.991
V24CB-CG2-HB 32.850 20.760 1.986
V24CG1-CA-HG1 21.676 64.522 0.732
V24CG1-CB-HG1 21.676 32.558 0.731
V24CG1-CG1-HG1 21.676 21.674 0.729
V24CG1-CG2-HG1 21.673 20.856 0.734
V24CG2-CB-HG2 20.814 32.605 0.699
V24CG2-CG2-HG2 20.814 20.800 0.703
L25CA-CA-HA 58.077 58.119 3.608
L25CA-CB-HA 58.077 41.189 3.613
L25CB-CA-HB2 41.074 58.169 1.718
L25CB-CB-HB2 41.074 41.114 1.719
L25CB-CD1-HB2 41.074 25.915 1.719
L25CD1-CB-HD1 25.941 41.154 0.883
L25CD1-CD1-HD1 25.941 25.978 0.880
L25CD1-CD2-HD1 25.941 22.764 0.885
L25CD2-CB-HD2 22.752 41.196 0.568
L25CD2-CD1-HD2 22.752 25.988 0.575
L25CD2-CD2-HD2 22.752 22.574 0.561
T26CA-CA-HA 66.277 66.271 3.948
T26CA-CB-HA 66.277 68.742 3.953
T26CB-CA-HB 68.700 66.458 4.199
T26CG2-CG2-HG2 21.718 21.666 1.293
A27CA-CA-HA 55.202 55.175 4.311
A27CA-CB-HA 55.202 18.782 4.299
A27CB-CA-HB 18.867 55.225 1.722
A27CB-CB-HB 18.867 18.807 1.726
L28CB-CA-HB2 42.261 57.659 1.483
L28CB-CB-HB2 42.261 42.269 1.496
L28CB-CD1-HB2 42.261 23.932 1.485
L28CB-CG-HB2 42.261 26.005 1.481
L28CD1-CB-HD1 23.902 42.192 0.526
L28CD1-CD1-HD1 23.902 23.986 0.523
L28CD1-CG-HD1 23.902 26.005 0.520
L28CD2-CD1-HD2 25.796 24.064 0.535
L28CG-CB-HG 25.965 42.238 1.437
L28CG-CD1-HG 25.965 23.963 1.435
L28CG-CG-HG 25.965 26.013 1.438
A29CA-CA-HA 55.526 55.532 3.893
A29CA-CB-HA 55.526 18.126 3.883
A29CB-CA-HB 18.087 55.549 1.446
A29CB-CB-HB 18.087 18.076 1.443
N30CA-CA-HA 56.379 56.418 4.461
N30CA-CB-HA 56.379 38.558 4.459
N30CB-CA-HB2 38.571 56.339 2.977
N30CB-CA-HB3 38.515 56.398 2.814
N30CB-CB-HB2 38.571 38.647 2.974
N30CB-CB-HB3 38.515 38.469 2.807
G31CA-CA-HA2 48.035 47.966 4.072
G31CA-CA-HA2 47.935 47.951 3.922
L32CA-CA-HA 58.276 58.287 3.866
L32CA-CB-HA 58.276 41.999 3.869
L32CB-CA-HB2 42.139 58.264 1.158
L32CD1-CB-HD1 25.345 42.146 0.785
L32CD1-CD1-HD1 25.345 25.428 0.785
L32CD1-CD2-HD1 25.345 23.335 0.786
L32CD2-CB-HD2 23.234 42.135 0.653
L32CD2-CD1-HD2 23.234 25.315 0.656
L32CD2-CD2-HD2 23.234 23.221 0.657
S33CA-CA-HA 61.455 61.423 4.314
S33CA-CB-HA 61.455 63.146 4.310
S33CB-CA-HB2 63.242 61.453 4.009
S33CB-CB-HB2 63.242 63.220 4.009
L34CA-CA-HA 55.078 55.037 4.445
L34CA-CB-HA 55.078 42.852 4.444
L34CA-CD1-HA 55.078 25.206 4.442
L34CB-CA-HB2 42.869 55.133 1.785
L34CB-CA-HB3 42.852 55.150 1.661
L34CB-CB-HB2 42.869 42.886 1.788
L34CB-CB-HB3 42.852 42.858 1.665
L34CB-CD1-HB2 42.869 25.262 1.787
L34CB-CD1-HB3 42.852 25.230 1.671
L34CD1-CA-HD1 25.196 55.036 0.903
L34CD1-CB-HD1 25.196 42.885 0.904
L34CD1-CD1-HD1 25.196 25.262 0.904
L34CD1-CD2-HD1 25.196 22.765 0.904
L34CD2-CB-HD2 22.779 43.038 0.905
L34CD2-CD1-HD2 22.779 25.312 0.903
L34CD2-CD2-HD2 22.779 22.802 0.903
L34CG-CB-HG 27.515 43.300 1.946
L34CG-CD1-HG 27.515 25.304 1.940
L34CG-CD2-HG 27.515 22.937 1.931
G35CA-CA-HA2 46.263 46.258 4.163
G35CA-CA-HA3 46.370 46.198 3.597
R36CA-CA-HA 54.900 54.897 4.547
R36CA-CD-HA 54.900 43.668 4.538
R36CA-CG-HA 54.900 26.857 4.547
R36CB-CA-HB2 29.836 54.875 1.854
R36CB-CB-HB2 29.836 29.940 1.856
R36CB-CB-HB3 29.860 29.850 1.681
R36CB-CD-HB2 29.836 43.505 1.856
R36CB-CD-HB3 29.860 43.559 1.688
R36CB-CG-HB2 29.836 26.930 1.854
R36CB-CG-HB3 29.860 26.803 1.688
R36CD-CA-HD2 43.509 54.694 3.212
R36CD-CB-HD2 43.509 29.868 3.205
R36CD-CD-HD2 43.509 43.450 3.214
R36CD-CG-HD2 43.509 26.930 3.214
R36CG-CB-HG2 26.912 29.958 1.530
R36CG-CD-HG2 26.912 43.487 1.525
R36CG-CG-HG2 26.912 26.912 1.534
I37CB-CB-HB 38.579 38.460 1.909
I37CB-CG1-HB 38.529 26.552 1.910
I37CB-CG2-HB 38.579 17.665 1.907
I37CD1-CD1-HD1 12.329 12.256 0.768
I37CD1-CG1-HD1 12.329 26.766 0.766
I37CG1-CB-HG12 26.529 38.629 1.315
I37CG1-CB-HG13 26.529 38.585 1.220
I37CG1-CD1-HG12 26.533 12.221 1.318
I37CG1-CD1-HG13 26.548 12.183 1.222
I37CG1-CG1-HG12 26.533 26.447 1.311
I37CG1-CG1-HG13 26.548 26.519 1.227
I37CG1-CG2-HG12 26.530 17.603 1.298
I37CG1-CG2-HG13 26.548 17.592 1.226
I37CG2-CB-HG2 17.652 38.805 0.915
I37CG2-CG1-HG2 17.652 26.661 0.911
I37CG2-CG2-HG2 17.652 17.691 0.913
H39CB-CA-HB2 31.418 57.833 3.219
H39CB-CB-HB2 31.418 31.389 3.219
A40CA-CA-HA 51.439 51.397 5.821
A40CA-CB-HA 51.439 22.716 5.812
A40CB-CA-HB 22.683 51.412 1.348
A40CB-CB-HB 22.683 22.597 1.343
Y41CA-CB-HA 56.863 42.455 4.812
Y41CB-CA-HB2 42.384 56.886 2.909
Y41CB-CB-HB2 42.384 42.364 2.909
L42CD1-CA-HD1 26.508 53.051 0.673
L42CD1-CB-HD1 26.508 45.190 0.672
L42CD1-CD1-HD1 26.508 26.473 0.668
L42CD1-CD2-HD1 26.508 25.369 0.675
L42CD1-CG-HD1 26.508 27.847 0.670
L42CD2-CA-HD2 25.305 53.097 0.768
L42CD2-CB-HD2 25.305 45.208 0.765
L42CD2-CD1-HD2 25.305 26.631 0.771
L42CG-CD1-HG 27.783 26.529 1.371
L42CG-CD2-HG 27.783 25.290 1.377
L42CG-CG-HG 27.783 27.795 1.378
F43CA-CA-HA 56.642 56.624 5.570
F43CA-CB-HA 56.642 40.822 5.591
F43CB-CA-HB2 40.931 56.566 2.937
F43CB-CB-HB2 40.931 40.881 2.936
S44CA-CB-HA 56.257 66.911 6.154
S44CB-CA-HB2 66.885 56.431 3.578
G45CA-CA-HA2 44.704 44.636 4.484
G45CA-CA-HA3 44.690 44.565 3.938
T46CA-CA-HA 62.697 62.541 4.280
T46CA-CB-HA 62.697 70.055 4.286
T46CB-CA-HB 69.838 62.488 4.333
T46CG2-CB-HG2 21.572 69.620 1.441
T46CG2-CG2-HG2 21.572 21.802 1.443
T46CG2-CG2-HG2 21.924 21.852 1.441
G48CA-CA-HA2 45.550 45.583 3.952
V49CA-CA-HA 62.600 62.705 4.590
V49CB-CB-HB 32.123 32.152 2.351
V49CB-CG1-HB 32.123 21.659 2.348
V49CB-CG2-HB 32.123 19.993 2.351
V49CG1-CB-HG1 21.582 32.210 0.923
V49CG1-CG1-HG1 21.582 21.543 0.922
V49CG1-CG2-HG1 21.582 19.943 0.920
V49CG2-CB-HG2 19.839 32.160 1.024
V49CG2-CG1-HG2 19.839 21.526 1.022
V49CG2-CG2-HG2 19.839 19.709 1.023
G50CA-CA-HA2 45.481 45.489 3.831
G50CA-CA-HA3 45.437 45.462 4.457
K51CA-CA-HA 61.358 61.450 3.600
T52CA-CB-HA 65.226 68.678 3.789
T52CB-CA-HB 68.583 65.108 4.242
T52CG2-CG2-HG2 22.635 22.526 1.146
S53CA-CA-HA 61.539 61.453 4.132
S53CB-CA-HB2 62.566 61.506 3.693
I54CA-CA-HA 64.643 64.587 3.462
I54CB-CB-HB 36.194 36.217 1.454
I54CB-CD1-HB 36.194 13.074 1.454
I54CB-CG1-HB 36.194 30.023 1.451
I54CB-CG2-HB 36.194 17.827 1.451
I54CD1-CD1-HD1 13.181 13.149 0.725
I54CD1-CG1-HD1 13.202 30.047 0.724
I54CG1-CB-HG12 30.011 36.151 1.019
I54CG1-CD1-HG12 30.011 13.253 1.017
I54CG1-CG1-HG13 29.850 29.817 1.566
I54CG1-CG2-HG12 30.011 17.809 1.015
I54CG2-CB-HG2 17.878 36.549 0.357
I54CG2-CG1-HG2 17.878 29.860 0.359
I54CG2-CG2-HG2 17.878 18.050 0.352
A55CA-CA-HA 55.281 55.203 3.605
A55CB-CB-HB 17.892 18.030 1.228
R56CA-CA-HA 60.597 60.726 3.546
L57CA-CB-HA 57.886 41.704 3.715
L57CD1-CB-HD1 25.323 41.685 0.310
L57CD1-CD1-HD1 25.316 25.397 0.310
L57CD1-CD2-HD1 25.316 23.078 0.305
L57CD2-CB-HD2 23.168 41.601 0.240
L57CD2-CD1-HD2 23.168 25.552 0.244
L57CD2-CD2-HD2 23.168 23.101 0.245
L57CG-CB-HG 26.272 41.799 1.504
L57CG-CD1-HG 26.272 25.302 1.502
L57CG-CD2-HG 26.272 23.337 1.502
L57CG-CG-HG 26.272 26.189 1.502
L58CB-CB-HB2 41.424 41.370 2.226
L58CD1-CB-HD1 24.000 41.485 0.825
L58CD1-CD1-HD1 24.000 23.916 0.823
L58CD1-CD2-HD1 24.000 26.514 0.821
L58CD1-CG-HD1 24.006 27.519 0.818
L58CD2-CB-HD2 26.372 41.528 0.355
L58CD2-CD1-HD2 26.372 24.060 0.353
L58CD2-CD2-HD2 26.372 26.457 0.357
L58CD2-CG-HD2 26.372 27.404 0.362
L58CG-CD1-HG 27.383 24.103 1.302
L58CG-CG-HG 27.383 27.318 1.306
A59CA-CA-HA 55.849 55.903 3.812
A59CB-CB-HB 18.364 18.337 1.477
K60CA-CA-HA 59.243 59.260 4.004
K60CA-CB-HA 59.243 34.046 3.997
K60CA-CD-HA 59.243 29.653 4.005
K60CB-CB-HB2 34.137 34.135 1.704
K60CB-CD-HB2 34.137 29.721 1.706
K60CB-CE-HB2 34.137 41.999 1.703
K60CB-CG-HB2 34.137 25.067 1.701
K60CD-CB-HD2 29.707 34.012 1.586
K60CD-CD-HD2 29.707 29.689 1.595
K60CD-CE-HD2 29.707 41.967 1.591
K60CD-CG-HD2 29.707 25.070 1.588
K60CE-CD-HE3 41.993 29.673 2.714
K60CE-CE-HE3 41.993 41.951 2.712
K60CE-CG-HE3 41.993 25.062 2.712
K60CG-CB-HG2 25.004 34.036 1.236
K60CG-CD-HG2 25.004 29.738 1.234
K60CG-CE-HG2 25.004 42.015 1.229
G61CA-CA-HA2 48.236 48.123 4.048
G61CA-CA-HA3 48.224 48.112 3.903
L62CA-CA-HA 57.160 57.202 4.258
L62CA-CB-HA 57.160 42.349 4.262
L62CB-CB-HB2 42.410 42.384 1.912
L62CB-CD1-HB2 42.410 25.564 1.918
L62CB-CD2-HB2 42.410 23.357 1.915
L62CD1-CB-HD1 25.448 42.361 0.475
L62CD1-CD1-HD1 25.448 25.508 0.473
L62CD1-CD2-HD1 25.448 23.516 0.469
L62CD2-CB-HD2 23.487 42.441 0.667
L62CD2-CD1-HD2 23.487 25.428 0.664
L62CD2-CD2-HD2 23.487 23.470 0.670
N63CA-CA-HA 53.640 53.694 5.179
N63CA-CB-HA 53.640 42.047 5.183
N63CB-CA-HB2 42.104 53.556 2.794
C64CA-CA-HA 62.474 62.459 4.182
C64CB-CB-HB2 27.355 27.376 3.004
E65CB-CB-HB2 30.677 30.647 2.230
E65CB-CG-HB2 30.677 37.938 2.235
E65CG-CA-HG2 37.957 60.243 2.441
E65CG-CB-HG2 37.957 30.575 2.434
E65CG-CB-HG3 38.014 30.629 2.733
E65CG-CG-HG2 37.957 37.938 2.436
E65CG-CG-HG3 38.014 38.010 2.742
T66CA-CA-HA 64.198 64.262 4.268
T66CA-CB-HA 64.198 70.332 4.272
T66CB-CA-HB 70.102 64.112 4.383
T66CG2-CG2-HG2 21.924 21.876 1.452
G67CA-CA-HA2 43.837 43.761 4.327
G67CA-CA-HA3 43.823 43.818 3.645
I68CA-CA-HA 62.493 62.576 4.466
I68CB-CG2-HB 37.914 18.711 1.751
I68CD1-CD1-HD1 14.297 14.180 1.190
I68CD1-CG1-HD1 14.297 28.736 1.193
I68CG2-CG2-HG2 18.743 18.774 0.970
T69CB-CA-HB 68.985 59.071 3.878
A70CA-CA-HA 52.064 52.165 4.203
A70CA-CB-HA 52.064 19.099 4.212
A70CB-CA-HB 19.307 52.188 1.413
A70CB-CB-HB 19.307 19.294 1.408
T71CA-CB-HA 56.839 69.210 4.575
T71CB-CA-HB 69.133 56.928 4.190
T71CG2-CA-HG2 20.927 56.926 1.055
T71CG2-CG2-HG2 20.927 20.844 1.053
C73CA-CA-HA 61.749 61.706 4.373
C73CB-CB-HB2 30.520 30.405 3.021
G74CA-CA-HA2 47.082 47.008 4.350
G74CA-CA-HA3 46.974 47.047 3.634
V75CA-CA-HA 61.744 61.779 4.542
V75CB-CG1-HB 34.278 19.008 2.303
V75CB-CG2-HB 34.278 21.331 2.306
V75CG1-CB-HG1 19.068 34.536 0.829
V75CG1-CG1-HG1 19.068 19.048 0.835
V75CG1-CG2-HG1 19.068 21.321 0.831
V75CG2-CB-HG2 21.318 34.345 0.859
V75CG2-CG1-HG2 21.318 19.099 0.860
V75CG2-CG2-HG2 21.318 21.442 0.863
C76CB-CA-HB2 30.520 57.299 3.042
C76CB-CB-HB2 30.554 30.472 3.045
D77CA-CA-HA 58.397 58.449 4.236
D77CA-CB-HA 58.397 40.109 4.233
D77CB-CA-HB2 40.098 58.582 2.736
D77CB-CB-HB2 40.098 40.142 2.734
N78CA-CA-HA 56.541 56.627 3.806
N78CA-CB-HA 56.541 36.877 3.806
N78CB-CA-HB2 36.967 56.405 2.945
C79CA-CA-HA 66.330 66.323 3.608
C79CB-CB-HB2 29.254 29.253 2.669
R80CA-CA-HA 59.617 59.572 3.841
R80CA-CB-HA 59.617 30.143 3.838
R80CA-CD-HA 59.617 43.252 3.844
R80CA-CG-HA 59.617 28.004 3.841
R80CB-CB-HB2 30.237 30.163 1.725
R80CB-CD-HB2 30.237 43.246 1.711
R80CB-CG-HB2 30.237 27.809 1.722
R80CD-CA-HD2 43.253 59.620 3.158
R80CD-CB-HD2 43.253 30.190 3.159
R80CD-CD-HD2 43.253 43.204 3.159
R80CD-CG-HD2 43.253 27.815 3.159
R80CG-CA-HG2 27.866 59.544 1.422
R80CG-CB-HG2 27.866 30.270 1.439
R80CG-CD-HG2 27.866 43.231 1.427
R80CG-CG-HG2 27.866 27.870 1.431
E81CB-CB-HB2 29.386 29.463 1.896
E81CB-CG-HB2 29.386 37.939 1.897
E81CG-CB-HG2 37.942 29.366 2.133
E81CG-CG-HG2 37.942 37.805 2.124
I82CD1-CD1-HD1 13.366 13.397 0.493
I82CD1-CG1-HD1 13.366 32.085 0.485
I82CG2-CG2-HG2 16.783 16.879 0.696
E83CA-CA-HA 59.064 59.099 3.918
E83CA-CB-HA 59.064 29.401 3.924
E83CB-CA-HB2 29.524 59.128 2.147
E83CB-CB-HB2 29.524 29.491 2.157
E83CB-CG-HB2 29.524 35.502 2.146
E83CG-CA-HG2 35.562 59.062 2.262
E83CG-CB-HG2 35.562 29.501 2.260
E83CG-CG-HG2 35.562 35.541 2.263
Q84CA-CA-HA 55.890 55.919 4.220
Q84CA-CB-HA 55.890 29.648 4.232
Q84CA-CG-HA 55.890 34.033 4.241
Q84CB-CB-HB2 29.567 29.455 2.244
Q84CB-CB-HB3 29.628 29.631 1.941
Q84CB-CG-HB2 29.567 34.001 2.250
Q84CB-CG-HB3 29.628 33.942 1.942
Q84CG-CB-HG2 34.059 29.647 2.566
Q84CG-CG-HG2 34.059 34.019 2.558
G85CA-CA-HA2 46.664 46.657 4.031
R86CB-CA-HB2 31.413 54.457 1.907
R86CB-CA-HB3 31.366 54.471 1.644
R86CB-CB-HB2 31.413 31.386 1.906
R86CB-CB-HB3 31.366 31.270 1.646
R86CB-CD-HB2 31.413 43.541 1.906
R86CB-CD-HB3 31.366 43.512 1.644
R86CB-CG-HB2 31.413 27.045 1.906
R86CB-CG-HB3 31.366 26.988 1.639
R86CD-CB-HD2 43.589 31.377 3.207
R86CD-CD-HD2 43.589 43.590 3.213
R86CD-CG-HD2 43.589 27.100 3.212
R86CG-CA-HG2 26.978 54.428 1.505
R86CG-CB-HG2 26.978 31.270 1.505
R86CG-CD-HG2 26.978 43.498 1.482
R86CG-CG-HG2 26.978 27.002 1.500
F87CA-CA-HA 55.629 55.650 5.046
F87CA-CB-HA 55.629 40.538 5.046
F87CB-CA-HB2 40.433 55.810 3.041
F87CB-CB-HB2 40.433 40.507 3.049
V88CB-CG2-HB 31.424 19.910 2.010
V88CG1-CB-HG1 20.025 31.381 0.756
V88CG1-CG1-HG1 20.025 19.910 0.757
V88CG2-CB-HG2 19.834 31.358 0.714
V88CG2-CG2-HG2 19.834 19.910 0.713
D89CB-CA-HB2 42.542 54.277 3.302
D89CB-CB-HB2 42.542 42.576 3.311
L90CD1-CB-HD1 27.508 44.239 0.940
L90CD1-CD1-HD1 27.508 27.721 0.940
L90CD1-CD2-HD1 27.508 24.549 0.946
L90CD2-CB-HD2 24.586 44.247 0.764
L90CD2-CD1-HD2 24.586 27.522 0.764
L90CD2-CD2-HD2 24.586 24.679 0.769
I91CB-CG1-HB 38.065 28.232 1.317
I91CD1-CD1-HD1 13.640 13.547 0.460
I91CD1-CG1-HD1 13.640 28.401 0.461
I91CG1-CD1-HG12 28.214 13.487 1.095
E92CG-CB-HG2 37.329 30.281 1.975
E92CG-CB-HG3 37.425 30.282 2.294
E92CG-CG-HG2 37.329 37.325 1.982
E92CG-CG-HG3 37.425 37.242 2.281
I93CA-CA-HA 60.383 60.382 4.284
I93CA-CB-HA 60.383 41.939 4.286
I93CA-CG1-HA 60.383 27.514 4.282
I93CA-CG2-HA 60.383 17.135 4.296
I93CB-CA-HB 41.881 60.268 1.891
I93CB-CG1-HB 41.881 27.406 1.881
I93CB-CG2-HB 41.881 17.264 1.884
I93CD1-CD1-HD1 14.082 13.913 0.990
I93CD1-CG1-HD1 14.079 27.578 0.987
I93CG1-CD1-HG12 27.474 14.056 1.168
I93CG1-CG1-HG12 27.474 27.514 1.179
I93CG2-CB-HG2 17.218 41.946 0.870
I93CG2-CG2-HG2 17.218 17.350 0.867
D94CA-CA-HA 52.340 52.483 4.885
D94CA-CB-HA 52.340 40.452 4.878
D94CB-CA-HB2 40.376 52.146 2.927
D94CB-CA-HB3 40.350 52.208 2.722
D94CB-CB-HB2 40.376 40.497 2.935
D94CB-CB-HB3 40.350 40.352 2.723
A95CA-CA-HA 54.289 54.270 3.975
A95CB-CA-HB 19.339 54.262 1.246
A95CB-CB-HB 19.339 19.259 1.249
A96CA-CA-HA 53.066 53.021 4.199
A96CB-CA-HB 19.279 52.827 1.482
A96CB-CB-HB 19.279 19.265 1.472
S97CA-CA-HA 58.583 58.561 4.402
S97CA-CB-HA 58.583 63.580 4.395
S97CB-CA-HB2 63.441 58.568 3.963
S97CB-CB-HB2 63.441 63.491 3.963
T99CA-CA-HA 58.233 58.292 3.822
T99CA-CB-HA 58.233 65.250 3.831
T99CB-CA-HA 65.089 58.262 3.830
T99CB-CB-HA 65.089 65.151 3.829
V101CA-CA-HA 64.469 64.418 3.951
V101CB-CB-HB 32.304 32.270 2.142
V101CB-CG1-HB 32.304 21.199 2.139
V101CG1-CB-HG1 21.241 32.270 0.992
V101CG1-CG1-HG1 21.241 21.175 0.989
V101CG2-CB-HG2 21.280 32.143 1.029
V101CG2-CG2-HG2 21.280 21.245 1.034
E102CA-CA-HA 58.238 58.229 4.186
E102CA-CB-HA 58.238 29.528 4.187
E102CB-CB-HB2 29.485 29.404 2.003
E102CB-CG-HB2 29.485 36.653 2.008
E102CG-CA-HG2 36.623 58.281 2.298
E102CG-CB-HG2 36.623 29.408 2.302
E102CG-CG-HG2 36.623 36.590 2.302
D103CA-CA-HA 55.677 55.578 4.584
D103CA-CB-HA 55.677 41.225 4.581
D103CB-CA-HB2 41.218 55.840 2.734
D103CB-CB-HB2 41.218 41.185 2.730
T104CA-CA-HA 64.539 64.548 4.043
T104CA-CB-HA 64.539 69.139 4.043
T104CB-CA-HB 69.007 64.319 4.305
T104CG2-CG2-HG2 22.193 22.134 1.184
R105CA-CA-HA 58.191 58.079 4.057
R105CA-CG-HA 58.191 26.654 4.068
R105CB-CA-HB2 30.142 58.296 1.852
R105CB-CB-HB2 30.142 30.078 1.860
R105CB-CD-HB2 30.142 43.407 1.854
R105CB-CG-HB2 30.142 26.871 1.852
R105CD-CB-HD2 43.332 30.013 3.087
R105CD-CD-HD2 43.332 43.255 3.087
R105CD-CG-HD2 43.332 26.806 3.087
R105CG-CB-HG2 26.875 30.122 1.597
R105CG-CD-HG2 26.875 43.363 1.603
R105CG-CG-HG2 26.875 27.001 1.605
D106CA-CA-HA 56.109 56.130 4.489
D106CA-CB-HA 56.109 41.054 4.498
D106CB-CA-HB2 41.058 55.946 2.736
D106CB-CB-HB2 41.058 41.111 2.737
L107CB-CA-HB2 42.764 57.800 1.547
L107CB-CB-HB2 42.764 42.753 1.548
L107CD1-CB-HD1 23.913 42.752 0.904
L107CD1-CD1-HD1 23.913 23.839 0.898
L107CD1-CD2-HD1 23.913 25.573 0.904
L107CD1-CG-HD1 23.913 27.135 0.901
L107CD2-CB-HD2 25.412 42.889 0.911
L107CD2-CD1-HD2 25.412 23.885 0.911
L107CD2-CD2-HD2 25.412 25.332 0.908
L107CD2-CG-HD2 25.412 27.008 0.905
L107CG-CB-HG 27.134 42.752 1.769
L107CG-CD1-HG 27.013 24.017 1.769
L107CG-CD2-HG 27.134 25.515 1.760
L107CG-CG-HG 27.134 27.054 1.769
L108CD1-CB-HD1 25.989 41.055 0.774
L108CD1-CD1-HD1 25.989 26.007 0.781
L108CD1-CD2-HD1 25.989 22.828 0.778
L108CD2-CB-HD2 22.752 41.120 0.569
L108CD2-CD1-HD2 22.752 25.902 0.576
L108CD2-CD2-HD2 22.752 22.671 0.564
D109CA-CA-HA 56.126 56.192 4.574
D109CA-CB-HA 56.126 41.128 4.572
D109CB-CA-HB2 41.113 56.065 2.730
D109CB-CB-HB2 41.113 41.110 2.716
N110CA-CA-HA 53.304 53.377 4.892
N110CA-CB-HA 53.304 38.877 4.889
N110CB-CA-HB2 38.745 53.400 2.818
N110CB-CA-HB3 38.784 53.389 2.910
N110CB-CB-HB2 38.745 38.612 2.810
N110CB-CB-HB3 38.784 38.900 2.903
V111CA-CA-HA 64.769 64.690 4.049
V111CB-CG1-HB 31.921 21.041 2.183
V111CG1-CB-HG1 21.123 31.963 0.938
V111CG1-CG1-HG1 21.123 21.143 0.943
V111CG1-CG2-HG1 21.123 21.980 0.944
V111CG2-CB-HG2 21.979 31.993 1.013
V111CG2-CG1-HG2 21.979 21.173 1.013
V111CG2-CG2-HG2 21.979 22.091 1.015
Q112CA-CA-HA 56.724 56.687 4.169
Y113CA-CA-HA 57.829 57.869 4.494
Y113CA-CB-HA 57.829 38.409 4.495
Y113CB-CA-HB2 38.377 57.820 3.161
Y113CB-CB-HB2 38.377 38.422 3.159
A116CA-CA-HA 53.943 53.953 4.195
A116CA-CB-HA 53.943 20.460 4.203
A116CB-CA-HB 20.313 53.999 1.326
A116CB-CB-HB 20.313 20.264 1.329
R117CA-CA-HA 57.150 57.217 4.442
R117CA-CB-HA 57.150 34.321 4.450
R117CA-CD-HA 57.150 43.046 4.437
R117CA-CG-HA 57.150 27.328 4.437
R117CB-CA-HB2 34.421 57.072 1.809
R117CB-CA-HB3 34.441 57.085 1.552
R117CB-CB-HB2 34.421 34.439 1.798
R117CB-CB-HG3 34.441 34.399 1.566
R117CB-CD-HB2 34.421 43.046 1.800
R117CB-CD-HB3 34.441 43.026 1.552
R117CB-CG-HB2 34.421 27.288 1.796
R117CB-CG-HB3 34.441 27.366 1.552
R117CD-CB-HD2 43.085 34.557 3.322
R117CD-CB-HD3 43.120 34.490 3.257
R117CD-CD-HD2 43.085 43.275 3.318
R117CD-CD-HD3 43.120 43.241 3.261
R117CD-CG-HD2 43.085 27.475 3.318
R117CD-CG-HD3 43.120 27.373 3.259
R117CG-CA-HG2 27.289 57.046 1.663
R117CG-CA-HG3 27.289 56.902 1.567
R117CG-CB-HG2 27.309 34.355 1.670
R117CG-CB-HG3 27.289 34.304 1.566
R117CG-CD-HG2 27.309 43.208 1.663
R117CG-CD-HG3 27.289 43.230 1.581
R117CG-CG-HG2 27.309 27.340 1.674
R117CG-CG-HG3 27.289 27.328 1.590
G118CA-CA-HA2 44.656 44.589 3.907
G118CA-CA-HA3 44.298 44.255 3.615
F120CA-CA-HA 55.704 55.754 5.251
F120CA-CB-HA 55.704 43.539 5.249
F120CB-CA-HB2 43.671 55.772 2.984
K121CB-CD-HB2 34.278 29.834 1.403
K121CB-CG-HB2 34.288 25.041 1.397
V122CA-CA-HA 60.386 60.317 4.909
V122CB-CB-HB 34.228 34.275 2.006
V122CB-CG1-HB 34.228 22.205 2.011
V122CG1-CA-HG1 22.354 60.429 0.758
V122CG1-CB-HG1 22.354 34.196 0.753
V122CG1-CG1-HG1 22.354 22.396 0.750
Y123CA-CA-HA 56.896 56.877 5.035
Y123CA-CB-HA 56.896 41.063 5.029
L124CA-CA-HA 53.723 53.725 5.834
L124CA-CB-HA 53.723 44.715 5.830
L124CB-CA-HB2 44.704 53.741 1.930
L124CB-CA-HB3 44.630 53.751 1.251
L124CB-CD1-HB2 44.704 25.276 1.932
L124CB-CD1-HB3 44.630 25.346 1.266
L124CD1-CA-HD1 25.280 53.625 0.783
L124CD1-CB-HD1 25.315 44.859 0.787
L124CD1-CD1-HD1 25.280 25.285 0.783
L124CD1-CD2-HD1 25.280 23.754 0.785
L124CD1-CG-HD1 25.280 29.186 0.786
L124CD2-CA-HD2 23.779 53.701 0.781
L124CD2-CB-HD2 23.779 44.753 0.780
L124CD2-CD1-HD2 23.779 25.365 0.782
L124CD2-CD2-HD2 23.779 23.842 0.782
L124CD2-CG-HD2 23.779 29.127 0.780
L124CG-CD1-HG 29.146 25.273 1.686
L124CG-CD2-HG 29.146 23.827 1.682
I125CA-CA-HA 60.448 60.516 5.135
I125CB-CG1-HB 38.952 26.777 2.077
I125CB-CG2-HB 38.952 17.665 2.077
I125CD1-CD1-HD1 13.615 13.580 0.962
I125CG2-CG1-HG2 17.868 26.842 0.906
I125CG2-CG2-HG2 17.868 17.864 0.910
D126CA-CA-HA 53.514 53.680 5.121
D126CA-CB-HA 53.514 43.346 5.123
D126CB-CA-HB2 43.467 53.490 2.553
D126CB-CA-HB3 43.455 53.522 2.773
V128CA-CA-HA 64.221 64.161 3.590
V128CB-CB-HB 31.660 31.614 2.184
V128CB-CG2-HB 31.614 22.913 2.183
V128CG1-CB-HG1 20.277 31.487 1.065
V128CG1-CG1-HG1 20.277 20.187 1.071
V128CG1-CG2-HG1 20.277 22.748 1.077
V128CG2-CB-HG2 22.878 31.438 1.108
V128CG2-CG2-HG2 22.878 22.855 1.100
M130CE-CE-HE 16.695 16.764 2.133
L131CD1-CB-HD1 26.509 42.338 0.660
L131CD1-CD1-HD1 26.509 26.528 0.643
L131CD1-CD2-HD1 26.509 23.179 0.654
L131CD2-CB-HD2 23.084 42.447 0.805
L131CD2-CD1-HD2 23.083 26.643 0.808
L131CD2-CD2-HD2 23.084 23.118 0.807
S132CA-CA-HA 57.410 57.514 4.373
S132CA-CB-HA 57.410 65.078 4.377
S132CB-CA-HB2 64.834 57.637 4.113
H134CA-CA-HA 59.956 59.906 4.380
H134CA-CB-HA 59.949 30.596 4.366
H134CB-CA-HB2 30.733 59.855 3.171
H134CB-CA-HB3 30.716 59.863 3.082
H134CB-CB-HB2 30.733 30.665 3.182
H134CB-CB-HB3 30.716 30.708 3.086
S135CA-CA-HA 62.439 62.482 4.294
S135CA-CB-HA 62.439 63.461 4.296
F136CA-CB-HA 61.537 38.669 4.140
F136CB-CA-HB2 38.469 61.516 3.091
F136CB-CB-HB2 38.469 38.412 3.083
N137CA-CA-HA 56.410 56.523 4.392
N137CA-CB-HA 56.410 37.971 4.389
N137CB-CA-HB2 38.065 56.339 2.898
N137CB-CA-HB3 38.024 56.400 2.777
N137CB-CB-HB2 38.065 38.081 2.899
N137CB-CB-HB3 38.024 38.057 2.786
A138CA-CA-HA 55.106 55.201 4.083
A138CB-CA-HB 18.485 55.079 1.432
A138CB-CB-HB 18.485 18.453 1.436
L139CA-CA-HA 57.886 57.928 3.701
L139CA-CB-HA 57.886 42.072 3.692
L139CA-CD1-HA 57.886 25.643 3.701
L139CD1-CB-HD1 25.783 42.049 0.529
L139CD1-CD1-HD1 25.783 25.822 0.527
L139CD1-CD2-HD1 25.783 23.306 0.520
L139CD1-CG-HD1 25.783 26.931 0.526
L139CD2-CB-HD2 23.213 41.797 0.205
L139CD2-CD1-HD2 23.213 25.804 0.200
L139CD2-CD2-HD2 23.213 23.120 0.205
L139CD2-CG-HD2 23.213 26.876 0.201
L139CG-CB-HG 26.890 41.881 1.093
L139CG-CD2-HG 26.890 23.282 1.106
L139CG-CG-HG 26.890 26.830 1.103
L140CB-CA-HB2 41.477 58.495 1.701
L140CB-CA-HB3 41.396 58.408 1.424
L140CB-CB-HB2 41.477 41.469 1.693
L140CB-CB-HB3 41.396 41.373 1.427
L140CD1-CB-HD1 23.595 41.532 0.740
L140CD1-CD1-HD1 23.595 23.700 0.741
L140CD1-CD2-HD1 23.595 25.013 0.737
L140CD1-CG-HD1 23.634 27.030 0.737
L140CD2-CB-HD2 25.038 41.583 0.775
L140CD2-CD1-HD2 25.038 23.627 0.782
L140CD2-CD2-HD2 25.038 25.127 0.782
L140CD2-CG-HD2 25.037 27.030 0.781
L140CG-CB-HG 27.023 41.501 1.460
L140CG-CD1-HG 27.023 23.617 1.455
L140CG-CD2-HG 27.023 24.972 1.451
L140CG-CG-HG 27.023 26.906 1.451
K141CD-CA-HD2 28.685 58.936 1.645
K141CD-CB-HD2 28.685 31.748 1.653
K141CD-CD-HD2 28.685 28.687 1.651
K141CD-CE-HD2 28.685 42.090 1.649
K141CD-CG-HD2 28.685 24.626 1.647
K141CE-CB-HE2 42.191 31.882 2.957
K141CE-CD-HE2 42.191 28.696 2.952
K141CE-CE-HE2 42.191 42.090 2.952
K141CE-CG-HE2 42.191 24.832 2.950
K141CG-CA-HG2 24.655 58.956 1.480
K141CG-CB-HG2 24.655 31.706 1.477
K141CG-CD-HG2 24.655 28.764 1.478
K141CG-CE-HG2 24.655 42.119 1.477
K141CG-CG-HG2 24.653 24.665 1.480
T142CB-CA-HB 68.129 66.291 4.067
T142CG2-CG2-HG2 23.034 22.987 1.250
L143CD1-CB-HD1 23.467 41.851 0.507
L143CD1-CD1-HD1 23.467 23.464 0.512
L143CD1-CD2-HD1 23.467 26.015 0.515
L143CD2-CB-HD2 25.770 42.035 0.472
L143CD2-CD1-HD2 25.768 23.472 0.467
L143CD2-CD2-HD2 25.770 25.878 0.466
L143CG-CB-HG 26.611 41.882 1.475
L143CG-CD1-HG 26.611 23.478 1.483
L143CG-CD2-HG 26.611 25.783 1.486
L143CG-CG-HG 26.611 26.657 1.482
E144CA-CA-HA 58.899 58.959 3.910
E144CA-CB-HA 58.899 30.386 3.917
E144CA-CG-HA 58.899 36.640 3.916
E144CB-CB-HB2 30.243 30.195 2.076
E144CB-CB-HB3 30.243 30.157 1.990
E144CB-CG-HB2 30.313 36.559 2.077
E144CB-CG-HB3 30.313 36.499 1.986
E144CG-CA-HG2 36.644 58.947 2.449
E144CG-CA-HG3 36.755 59.058 2.073
E144CG-CB-HG2 36.644 30.235 2.450
E144CG-CB-HG3 36.638 30.214 2.086
E144CG-CG-HG2 36.644 36.729 2.462
E144CG-CG-HG3 36.755 36.706 2.086
E145CA-CA-HA 53.733 53.716 4.539
E145CA-CB-HA 53.733 30.232 4.537
E145CA-CG-HA 53.733 36.251 4.536
E145CB-CA-HB2 30.264 53.700 1.988
E145CB-CA-HB3 30.235 53.652 1.815
E145CB-CB-HB2 30.264 30.240 1.990
E145CB-CB-HB3 30.235 30.193 1.819
E145CB-CG-HB2 30.264 36.243 1.985
E145CB-CG-HB3 30.235 36.476 1.818
E145CG-CA-HG2 36.449 53.853 2.144
E145CG-CB-HG2 36.449 30.200 2.139
E145CG-CG-HG2 36.449 36.493 2.139
E148CA-CA-HA 59.206 59.246 4.151
E148CA-CB-HA 59.206 30.007 4.159
E148CA-CG-HA 59.206 36.530 4.152
E148CB-CB-HB2 30.159 30.135 2.125
E148CB-CG-HB2 30.159 36.521 2.136
E148CG-CA-HG2 36.512 59.308 2.349
E148CG-CB-HG2 36.513 30.103 2.352
E148CG-CG-HG2 36.512 36.435 2.350
H149CA-CA-HA 56.847 56.872 5.106
H149CA-CB-HA 56.847 31.106 5.108
V150CA-CA-HA 60.473 60.569 5.422
V150CB-CB-HB 34.465 34.347 1.697
V150CB-CG1-HB 34.465 22.650 1.695
V150CG1-CB-HG1 22.674 34.293 0.754
V150CG1-CG1-HG1 22.674 22.559 0.748
V150CG2-CB-HG2 22.674 34.311 0.659
V150CG2-CG2-HG2 22.674 22.632 0.659
F152CA-CA-HA 58.043 58.084 5.181
F152CA-CB-HA 58.043 41.330 5.186
F152CB-CB-HB2 41.612 41.551 3.124
L153CA-CB-HA 53.539 42.340 5.285
L153CA-CD1-HA 53.539 25.389 5.287
L153CA-CD2-HA 53.539 27.954 5.284
L153CD1-CB-HD1 25.481 42.383 0.947
L153CD1-CD1-HD1 25.481 25.427 0.950
L153CD1-CD2-HD1 25.481 28.034 0.952
L153CD2-CB-HD2 28.033 42.323 0.858
L153CD2-CD1-HD2 28.033 25.518 0.856
L153CD2-CD2-HD2 28.033 27.971 0.858
L153CG-CA-HG 28.033 53.474 0.857
L154CA-CA-HA 53.149 53.193 5.306
L154CA-CB-HA 53.149 44.694 5.302
L154CA-CD1-HA 53.149 25.375 5.295
L154CB-CA-HB2 44.648 53.288 1.414
L154CB-CD2-HB2 44.648 25.166 1.421
L154CD1-CA-HD1 25.381 53.233 0.882
L154CD1-CB-HD1 25.381 44.770 0.886
L154CD1-CD1-HD1 25.381 25.407 0.886
L154CD2-CB-HD2 25.060 44.715 1.050
L154CD2-CD1-HD2 25.060 25.435 1.051
L154CD2-CD2-HD2 25.060 25.010 1.048
L154CD2-CG-HD2 25.059 27.812 1.050
A155CA-CA-HA 50.300 50.304 6.184
A155CA-CB-HA 50.300 22.717 6.191
A155CB-CA-HB 22.647 50.320 1.548
A155CB-CB-HB 22.647 22.579 1.545
T156CA-CA-HA 61.043 61.089 5.421
T156CA-CB-HA 61.043 68.925 5.432
T157CA-CA-HA 61.625 61.797 5.024
T157CA-CB-HA 61.625 71.189 5.044
T157CB-CA-HB 71.198 61.615 4.491
T157CG2-CG2-HG2 22.149 22.133 1.572
D158CA-CA-HA 51.625 51.614 5.030
D158CA-CB-HA 51.625 40.956 5.030
D158CB-CA-HB2 41.074 51.540 1.719
D158CB-CA-HB3 41.167 51.604 2.066
D158CB-CB-HB2 41.074 41.014 1.725
D158CB-CB-HB3 41.167 41.042 2.064
Q160CA-CA-HA 57.718 57.845 4.156
Q160CA-CB-HA 57.718 27.600 4.157
Q160CA-CG-HA 57.718 34.523 4.165
Q160CB-CB-HB2 27.738 27.589 2.116
Q160CB-CG-HB2 27.738 34.535 2.111
Q160CG-CB-HG2 34.486 27.713 2.439
Q160CG-CG-HG2 34.486 34.512 2.437
K161CA-CA-HA 56.269 56.244 4.221
K161CA-CB-HA 56.269 33.067 4.217
K161CA-CG-HA 56.269 26.031 4.211
K161CB-CA-HB2 33.182 56.184 2.108
K161CB-CB-HB2 33.182 33.064 2.116
K161CB-CD-HB2 33.182 28.971 2.114
K161CB-CG-HB2 33.182 26.076 2.116
K161CD-CB-HD2 29.176 32.946 1.716
K161CD-CB-HD3 28.928 32.986 1.569
K161CD-CD-HD2 29.176 29.119 1.698
K161CD-CD-HD3 28.928 28.950 1.572
K161CD-CE-HD2 29.176 42.181 1.707
K161CD-CE-HD3 28.928 42.286 1.564
K161CD-CG-HD2 29.176 26.000 1.699
K161CD-CG-HD3 28.928 25.997 1.567
K161CE-CB-HE2 42.300 32.836 3.033
K161CE-CD-HE2 42.300 29.039 3.026
K161CE-CE-HE2 42.300 42.286 3.018
K161CE-CG-HE2 42.300 26.038 3.015
K161CG-CA-HG2 25.995 56.241 1.421
K161CG-CB-HG2 25.995 33.130 1.416
K161CG-CB-HG3 25.933 33.017 1.349
K161CG-CD-HG2 25.995 28.971 1.413
K161CG-CD-HG3 25.933 29.057 1.327
K161CG-CE-HG2 25.995 42.340 1.421
K161CG-CE-HG3 25.933 42.312 1.328
K161CG-CG-HG2 25.995 25.996 1.421
K161CG-CG-HG3 25.933 26.139 1.332
L162CA-CA-HA 52.410 52.437 4.445
L162CA-CB-HA 52.410 41.842 4.450
L162CA-CD1-HA 52.410 26.737 4.444
L162CB-CA-HB2 41.903 52.516 1.901
L162CB-CB-HB2 41.903 41.821 1.904
L162CB-CD1-HB2 41.903 26.761 1.899
L162CD1-CB-HD1 26.730 41.752 0.924
L162CD1-CD1-HD1 26.730 26.733 0.924
L162CD1-CD2-HD1 26.730 25.043 0.927
L162CD2-CB-HD2 25.095 42.063 0.935
L162CD2-CD1-HD2 25.095 26.765 0.933
L162CD2-CD2-HD2 25.095 25.063 0.934
T165CB-CA-HB 67.801 63.454 4.092
I166CA-CA-HA 62.582 62.459 3.858
I166CA-CG1-HA 62.582 28.854 3.849
I166CB-CA-HB 37.914 62.496 1.750
I166CB-CB-HB 37.914 37.931 1.749
I166CB-CD1-HB 37.914 12.072 1.742
I166CB-CG1-HB 37.914 29.014 1.749
I166CB-CG2-HB 37.914 16.781 1.749
I166CD1-CD1-HD1 12.059 12.206 0.622
I166CD1-CG1-HD1 12.059 29.138 0.622
I166CG1-CB-HG12 29.054 37.861 1.391
I166CG1-CB-HG13 29.029 38.019 1.031
I166CG1-CD1-HG12 29.054 12.029 1.389
I166CG1-CD1-HG13 29.029 12.137 1.034
I166CG1-CG1-HG12 29.054 29.081 1.389
I166CG1-CG1-HG13 29.029 29.107 1.038
I166CG1-CG2-HG12 29.054 16.702 1.391
I166CG1-CG2-HG13 29.029 16.760 1.036
I166CG2-CB-HG2 16.783 37.903 0.688
I166CG2-CG2-HG2 16.783 16.812 0.690
L167CD1-CB-HD1 23.595 42.276 0.719
L167CD1-CD1-HD1 23.595 23.607 0.719
L167CD1-CD2-HD1 23.595 25.282 0.718
L167CD1-CG-HD1 23.595 26.627 0.715
L167CD2-CB-HD2 25.280 42.235 0.785
L167CD2-CD2-HD2 25.280 25.293 0.788
L167CG-CB-HG 26.580 42.276 1.450
L167CG-CD1-HG 26.580 23.689 1.455
L167CG-CD2-HG 26.580 25.055 1.446
L167CG-CG-HG 26.580 26.596 1.450
S168CA-CA-HA 60.574 60.547 4.232
S168CA-CB-HA 60.574 63.395 4.232
S168CB-CA-HB2 63.442 60.513 3.953
S168CB-CB-HB2 63.442 63.496 3.957
R169CA-CA-HA 55.457 55.445 4.584
R169CA-CB-HA 55.457 31.652 4.586
R169CA-CG-HA 55.457 27.460 4.581
R169CB-CB-HB2 31.661 31.721 2.133
R169CB-CB-HB3 31.634 31.628 1.722
R169CB-CD-HB2 31.661 43.042 2.126
R169CB-CD-HB3 31.634 43.166 1.729
R169CB-CG-HB2 31.661 27.499 2.126
R169CB-CG-HB3 31.634 27.615 1.722
R169CD-CA-HD2 43.060 55.461 3.072
R169CD-CB-HD2 43.060 31.505 3.066
R169CD-CD-HD2 43.060 43.050 3.066
R169CD-CG-HD2 43.060 27.484 3.063
R169CG-CB-HG2 27.591 31.681 1.698
R169CG-CD-HG2 27.591 43.127 1.696
R169CG-CG-HG2 27.591 27.561 1.693
C170CB-CA-HB2 30.714 57.696 2.598
C170CB-CB-HB2 30.714 30.683 2.598
L171CA-CA-HA 54.498 54.430 4.182
L171CA-CB-HA 54.498 41.786 4.184
L171CA-CD1-HA 54.498 24.255 4.172
L171CB-CA-HB2 41.736 54.414 1.088
L171CB-CA-HB3 41.697 54.461 0.682
L171CB-CB-HB2 41.736 41.818 1.094
L171CB-CB-HB3 41.697 41.613 0.688
L171CB-CD1-HB2 41.736 24.319 1.076
L171CB-CD1-HB3 41.697 24.240 0.698
L171CD1-CA-HD1 24.215 54.445 0.556
L171CD1-CB-HD1 24.215 41.818 0.548
L171CD1-CD1-HD1 24.215 24.161 0.550
L171CD1-CG-HD1 24.215 26.636 0.550
L171CD2-CA-HD2 26.459 54.477 0.847
L171CD2-CB-HD2 24.129 41.865 0.516
L171CD2-CD2-HD2 24.133 24.152 0.519
L171CD2-CG-HD2 24.129 26.685 0.518
L171CG-CB-HG 26.634 41.737 0.831
L171CG-CD1-HG 26.634 24.113 0.826
Q172CB-CB-HB2 30.901 30.824 1.851
Q172CB-CB-HB3 31.003 31.044 1.618
Q172CB-CG-HB2 30.901 34.017 1.852
Q172CB-CG-HB3 31.003 34.032 1.618
Q172CG-CB-HG2 34.005 30.794 2.103
Q172CG-CG-HG2 34.005 33.996 2.100
H174CA-CA-HA 55.197 55.113 5.268
H174CA-CB-HA 55.197 31.609 5.260
H174CB-CA-HB2 31.512 55.226 3.173
H174CB-CB-HB2 31.512 31.438 3.185
H174CB-CB-HB3 31.596 31.584 2.877
L175CD1-CB-HD1 26.108 42.935 1.069
L175CD1-CD1-HD1 26.108 26.296 1.073
L175CD1-CD2-HD1 26.108 26.101 1.071
L175CD1-CG-HD1 26.108 30.407 1.071
L175CD2-CD2-HD2 26.201 26.159 0.849
L175CD2-CG-HD2 26.201 30.488 0.849
L175CG-CD2-HG 30.429 26.216 1.786
L175CG-CG-HG 30.429 30.384 1.788
K176CB-CA-HB2 35.696 55.261 2.042
K176CB-CA-HB3 35.696 55.355 1.817
K176CB-CB-HB2 35.696 35.736 2.051
K176CB-CB-HB3 35.696 35.709 1.835
K176CB-CD-HB2 35.696 29.461 2.039
K176CB-CD-HB3 35.680 29.302 1.830
K176CB-CE-HB2 35.696 42.076 2.056
K176CB-CE-HB3 35.696 41.917 1.830
K176CB-CG-HB2 35.696 25.092 2.030
K176CB-CG-HB3 35.696 25.102 1.827
K176CD-CB-HD2 29.437 35.712 1.728
K176CD-CD-HD2 29.437 29.254 1.728
K176CD-CE-HD2 29.437 42.112 1.731
K176CD-CG-HD2 29.437 25.102 1.731
K176CE-CB-HE2 41.992 35.821 2.865
K176CE-CB-HE3 41.992 35.853 2.939
K176CE-CD-HE2 41.992 29.480 2.874
K176CE-CD-HE3 41.992 29.432 2.943
K176CE-CE-HE2 41.992 42.036 2.872
K176CE-CE-HE3 41.992 42.068 2.936
K176CE-CG-HE2 41.992 25.221 2.870
K176CE-CG-HE3 41.992 25.205 2.941
K176CG-CA-HG2 25.130 55.273 1.600
K176CG-CB-HG2 25.130 35.553 1.598
K176CG-CD-HG2 25.147 29.431 1.593
K176CG-CE-HG2 25.130 42.083 1.591
K176CG-CG-HG2 25.130 25.088 1.596
A177CB-CA-HB 19.163 52.528 1.457
A177CB-CB-HB 19.163 19.178 1.445
L178CD1-CB-HD1 26.427 42.924 0.919
L178CD1-CD1-HD1 26.429 26.483 0.920
L178CD1-CD2-HD2 26.427 22.915 0.907
L178CD2-CB-HD2 22.983 43.063 0.908
L178CD2-CD1-HD2 22.984 26.552 0.914
L178CD2-CD2-HD2 22.983 22.814 0.906
D179CB-CA-HB2 42.809 53.427 2.939
D179CB-CA-HB3 42.750 53.484 2.742
D179CB-CB-HB2 42.809 42.804 2.940
D179CB-CB-HB3 42.750 42.788 2.737
V180CA-CA-HA 66.644 66.605 3.548
V180CB-CB-HB 31.937 31.916 2.104
V180CB-CG1-HB 31.937 22.750 2.104
V180CB-CG2-HB 31.937 21.116 2.113
V180CG1-CB-HG1 22.701 31.831 1.045
V180CG1-CG1-HG1 22.660 22.667 1.044
V180CG1-CG2-HG1 22.660 20.987 1.045
V180CG2-CB-HG2 21.008 31.913 0.964
V180CG2-CG1-HG2 21.010 22.489 0.969
V180CG2-CG2-HG2 21.010 20.987 0.962
Q182CA-CA-HA 59.206 59.163 4.148
Q182CA-CB-HA 59.009 29.972 4.157
Q182CA-CG-HA 59.206 35.282 4.154
Q182CB-CA-HB2 30.153 58.986 1.909
Q182CB-CG-HB2 30.153 35.264 1.909
Q182CB-CG-HB3 29.967 35.201 2.452
Q182CG-CA-HG2 35.216 59.033 2.374
Q182CG-CA-HG3 35.240 59.063 2.613
Q182CG-CB-HG2 35.216 29.946 2.380
Q182CG-CB-HG3 35.240 30.085 2.608
Q182CG-CG-HG2 35.216 35.250 2.381
Q182CG-CG-HG3 35.240 35.239 2.611
I183CB-CG2-HB 37.850 17.838 1.863
I183CD1-CD1-HD1 12.422 12.316 0.633
I183CD1-CG1-HD1 12.422 30.179 0.640
I183CG2-CB-HG2 18.054 37.942 0.707
I183CG2-CG2-HG2 18.054 18.037 0.707
R184CA-CA-HA 60.797 60.893 3.491
H185CA-CA-HA 59.859 59.844 4.171
H185CA-CB-HA 59.859 29.940 4.174
H185CB-CB-HB2 29.933 29.919 3.200
H185CB-CB-HB3 29.933 29.899 3.289
L187CD1-CB-HD1 21.749 42.330 0.562
L187CD1-CD1-HD1 21.749 21.709 0.563
L187CD1-CD2-HD1 21.749 25.634 0.562
L187CD2-CB-HD2 25.513 42.227 0.686
L187CD2-CD1-HD2 25.513 21.658 0.681
L187CD2-CD2-HD2 25.513 25.497 0.681
L187CG-CD1-HG 26.283 21.761 1.765
E188CA-CA-HA 60.088 60.082 3.160
E188CA-CB-HA 60.088 29.643 3.162
E188CG-CB-HG2 36.482 29.869 1.986
E188CG-CG-HG2 36.482 36.496 1.991
H189CB-CB-HB2 29.953 29.923 2.921
I190CB-CD1-HB 38.065 15.413 1.258
I190CB-CG1-HB 38.065 28.226 1.286
I190CD1-CD1-HD1 15.206 15.121 0.006
I190CG2-CG1-HG2 14.588 28.508 0.371
I190CG2-CG2-HG2 14.588 14.603 0.371
L191CD1-CB-HD1 22.470 39.773 0.554
L191CD1-CD1-HD1 22.470 22.562 0.560
L191CD1-CD2-HD1 22.470 27.110 0.565
L191CD2-CB-HD2 26.971 39.810 0.450
L191CD2-CD1-HD2 26.971 22.441 0.447
L191CD2-CD2-HD2 26.971 26.989 0.442
N192CA-CA-HA 55.951 55.848 4.597
N192CA-CB-HA 55.951 37.683 4.609
N192CB-CA-HB2 37.590 55.983 2.752
N192CB-CA-HB2 37.479 55.876 3.022
N192CB-CB-HB2 37.798 37.852 2.746
N192CB-CB-HB3 37.479 37.602 3.037
H195CA-CA-HA 56.620 56.662 4.203
H195CB-CB-HB2 26.171 26.159 3.376
H195CB-CB-HB3 26.129 26.264 3.528
I196CA-CA-HA 60.096 60.193 4.297
I196CA-CG1-HA 60.096 27.488 4.300
I196CA-CG2-HA 60.096 17.038 4.300
I196CB-CA-HB 39.410 60.079 1.646
I196CB-CB-HB 39.410 39.415 1.642
I196CB-CG1-HB 39.410 27.419 1.636
I196CB-CG2-HB 39.410 17.008 1.639
I196CD1-CD1-HD1 13.157 13.060 0.817
I196CD1-CG1-HD1 13.157 27.802 0.817
I196CG1-CD1-HG12 27.462 13.092 1.138
I196CG1-CG1-HG12 27.462 27.466 1.151
I196CG2-CB-HG2 17.057 39.629 0.978
I196CG2-CG2-HG2 17.097 17.266 0.974
A197CA-CA-HA 52.807 52.742 4.305
A197CA-CB-HA 52.807 19.166 4.289
A197CB-CA-HB 19.262 52.791 1.399
A197CB-CB-HB 19.262 19.314 1.392
H198CA-CA-HA 54.356 54.397 5.244
H198CA-CB-HA 54.356 32.945 5.244
R201CB-CA-HB2 29.627 58.928 1.906
R201CB-CB-HB2 29.627 29.744 1.914
R201CB-CD-HB2 29.627 43.395 1.907
R201CB-CG-HB2 29.627 27.223 1.912
R201CD-CB-HD2 43.288 29.655 3.181
R201CD-CB-HD3 43.281 29.616 3.304
R201CD-CD-HD2 43.288 43.267 3.183
R201CD-CD-HD3 43.281 43.218 3.314
R201CD-CG-HD2 43.288 27.094 3.191
R201CD-CG-HD3 43.281 27.094 3.308
R201CG-CB-HG2 27.057 29.731 1.641
R201CG-CD-HG2 27.057 43.279 1.646
R201CG-CG-HG2 27.057 27.013 1.646
A202CA-CA-HA 55.302 55.318 3.858
A202CB-CA-HB 18.842 55.261 1.413
A202CB-CB-HB 18.842 18.825 1.398
L203CA-CA-HA 57.556 57.684 3.951
L203CA-CB-HA 57.556 41.313 3.941
L203CB-CB-HB2 41.259 41.170 2.027
L203CB-CD1-HB2 41.259 22.656 2.017
L203CB-CD2-HB2 41.259 25.300 2.020
L203CB-CG-HB2 41.259 27.193 2.017
L203CD1-CB-HD1 22.752 41.226 0.579
L203CD1-CD1-HD1 22.752 22.681 0.569
L203CD1-CD2-HD1 22.752 25.464 0.565
L203CD1-CG-HD1 22.752 27.112 0.565
L203CD2-CB-HD2 25.327 41.337 0.655
L203CD2-CD1-HD2 25.327 22.728 0.652
L203CD2-CD2-HD2 25.327 25.359 0.656
L203CD2-CG-HD2 25.327 27.276 0.655
Q204CA-CA-HA 59.404 59.562 3.837
Q204CA-CB-HA 59.404 28.214 3.839
Q204CB-CB-HB2 28.322 28.416 2.198
Q204CB-CG-HB2 28.322 34.209 2.201
Q204CG-CA-HG2 34.295 59.438 2.359
Q204CG-CB-HG2 34.295 28.416 2.361
Q204CG-CG-HG2 34.295 34.288 2.358
L205CD1-CB-HD1 22.209 42.398 0.833
L205CD1-CD1-HD1 22.209 22.248 0.830
L205CD1-CD2-HD1 22.209 25.799 0.830
L205CD2-CB-HD2 25.624 42.495 0.840
L205CD2-CD1-HD2 25.622 22.431 0.846
L205CD2-CD2-HD2 25.622 25.593 0.844
L206CD1-CB-HD1 25.809 42.976 0.769
L206CD1-CD1-HD1 25.809 25.981 0.776
L206CD1-CD2-HD1 25.809 24.221 0.788
L206CD2-CB-HD2 24.217 43.028 0.724
L206CD2-CD1-HD2 24.217 25.864 0.726
L206CD2-CD2-HD2 24.217 24.221 0.728
L206CG-CA-HG 29.297 57.990 1.247
L206CG-CB-HG 29.297 42.731 1.254
L206CG-CG-HG 29.297 29.373 1.252
A207CA-CA-HA 55.198 55.182 3.828
A207CB-CA-HB 19.094 55.310 1.449
A207CB-CB-HB 19.094 19.072 1.448
R208CA-CA-HA 59.015 59.032 4.021
R208CA-CB-HA 59.015 30.293 4.015
R208CB-CA-HB2 30.433 58.984 1.910
R208CB-CB-HB2 30.435 30.387 1.910
R208CB-CD-HB2 30.433 43.501 1.918
R208CB-CG-HB2 30.433 27.565 1.915
R208CD-CA-HD2 43.384 58.992 3.203
R208CD-CB-HD2 43.415 30.407 3.212
R208CD-CD-HD2 43.384 43.372 3.210
R208CD-CG-HD2 43.415 27.529 3.208
R208CG-CB-HG2 27.692 30.325 1.845
R208CG-CD-HG2 27.692 43.523 1.839
R208CG-CG-HG2 27.692 27.733 1.837
A209CA-CA-HA 53.993 53.977 4.223
A209CA-CB-HA 53.993 19.200 4.221
A209CB-CB-HB 19.228 19.062 1.478
A210CA-CA-HA 53.502 53.485 3.949
A210CB-CA-HB 18.985 53.537 1.656
A210CB-CB-HB 18.985 19.019 1.646
E211CA-CA-HA 57.088 57.246 3.962
E211CA-CB-HA 57.088 28.210 3.960
E211CB-CA-HB3 28.215 57.167 1.915
E211CB-CB-HB2 28.292 28.227 2.244
E211CB-CG-HB2 28.292 36.207 2.233
E211CB-CG-HB3 28.215 36.135 1.912
E211CG-CB-HG2 36.139 28.112 2.247
E211CG-CB-HG3 36.139 28.151 2.351
E211CG-CG-HG2 36.139 36.213 2.252
E211CG-CG-HG3 36.139 36.312 2.351
G212CA-CA-HA2 46.179 46.221 4.223
G212CA-CA-HA3 46.053 46.119 4.113
L214CD1-CB-HD1 23.337 41.554 0.818
L214CD1-CD1-HD1 23.337 23.369 0.814
L214CD1-CD2-HD1 23.337 26.599 0.812
L214CD2-CB-HD2 26.562 41.591 0.947
L214CD2-CD1-HD2 26.562 23.330 0.949
L214CD2-CD2-HD2 26.562 26.588 0.942
D216CA-CA-HA 57.333 57.377 4.531
D216CA-CB-HA 57.333 39.408 4.518
D216CB-CA-HB2 39.445 57.300 2.709
D216CB-CB-HB2 39.445 39.510 2.699
A217CA-CA-HA 55.547 55.533 3.929
A217CB-CB-HB 18.800 18.813 1.492
S219CA-CA-HA 62.106 62.111 4.419
S219CA-CB-HA 62.106 62.804 4.425
S219CB-CA-HB2 62.850 62.031 4.082
S219CB-CB-HB2 62.850 62.924 4.070
L220CD1-CB-HD1 22.793 42.999 0.816
L220CD1-CD1-HD1 22.793 22.729 0.816
L220CD1-CD2-HD1 22.793 25.742 0.813
L220CD1-CG-HD1 22.793 26.726 0.814
L220CD2-CB-HD2 25.674 43.173 0.742
L220CD2-CD1-HD2 25.674 22.825 0.737
L220CD2-CD2-HD2 25.674 25.759 0.732
L220CG-CD1-HG 26.814 22.705 1.851
L220CG-CD2-HG 26.814 25.588 1.847
L220CG-CG-HG 26.814 26.814 1.851
T221CA-CA-HA 68.592 68.711 3.674
T221CA-CB-HA 68.592 67.071 3.665
T221CB-CA-HB 67.032 68.511 4.279
D222CA-CA-HA 58.255 58.311 4.584
D222CA-CB-HA 58.255 40.925 4.584
D222CB-CA-HB2 40.993 58.311 2.960
D222CB-CB-HB2 40.993 41.071 2.960
Q223CA-CA-HA 59.014 59.012 3.996
Q223CA-CB-HA 59.019 28.386 3.997
Q223CA-CG-HA 59.014 34.227 3.994
Q223CB-CA-HB2 28.498 59.136 2.224
Q223CB-CB-HB2 28.498 28.460 2.223
Q223CB-CG-HB2 28.498 34.248 2.222
Q223CG-CB-HG2 34.276 28.469 2.487
Q223CG-CG-HG2 34.276 34.347 2.484
A224CA-CA-HA 55.470 55.461 4.100
A224CB-CB-HB 18.858 18.851 1.543
I225CD1-CD1-HD1 15.069 15.126 0.843
I225CD1-CG1-HD1 15.069 31.052 0.841
I225CG2-CB-HG2 17.503 38.427 0.748
I225CG2-CG2-HG2 17.503 17.565 0.761
A226CA-CA-HA 54.646 54.654 4.159
A226CA-CB-HA 54.646 18.554 4.164
A226CB-CA-HB 18.551 54.784 1.528
A226CB-CB-HB 18.551 18.524 1.528
S227CA-CA-HA 60.297 60.180 4.436
S227CA-CB-HA 60.297 63.864 4.443
S227CB-CA-HB2 63.871 60.269 4.022
S227CB-CB-HB2 63.871 63.920 4.026
G228CA-CA-HA2 45.267 45.455 4.017
G228CA-CA-HA2 45.417 45.415 4.410
G228CA-CA-HA3 45.401 45.458 4.019
D229CA-CA-HA 54.850 54.817 4.530
D229CA-CB-HA 54.850 40.100 4.526
D229CB-CA-HB2 40.157 54.760 2.959
D229CB-CA-HB3 40.098 54.825 2.715
G230CA-CA-HA2 45.564 45.544 4.437
G230CA-CA-HA3 45.781 45.641 3.551
Q231CB-CA-HB2 31.431 53.914 1.994
Q231CB-CB-HB2 31.431 31.422 1.996
Q231CB-CG-HB2 31.431 33.318 1.988
Q231CG-CA-HG2 33.293 53.994 2.270
Q231CG-CA-HG3 33.293 53.944 2.171
Q231CG-CB-HG2 33.304 31.362 2.260
Q231CG-CB-HG3 33.293 31.362 2.166
Q231CG-CG-HG2 33.304 33.468 2.262
Q231CG-CG-HG3 33.293 33.338 2.157
V232CA-CA-HA 61.932 62.015 4.042
V232CB-CB-HB 30.436 30.407 2.114
V232CB-CG2-HB 30.436 22.766 2.122
V232CG1-CA-HG1 22.773 62.015 0.737
V232CG1-CB-HG1 22.779 30.407 0.743
V232CG1-CG1-HG1 22.773 22.775 0.739
V232CG2-CA-HG2 22.773 62.091 0.792
V232CG2-CB-HG2 22.779 30.298 0.808
V232CG2-CG2-HG2 22.773 22.741 0.789
S233CB-CA-HB2 66.140 55.502 4.296
S233CB-CB-HB2 66.140 66.254 4.292
Q235CA-CA-HA 59.464 59.491 4.010
Q235CA-CG-HA 59.464 33.822 4.011
Q235CB-CG-HB2 28.121 33.581 1.993
Q235CG-CA-HG2 33.666 59.542 2.401
Q235CG-CB-HG2 33.666 28.221 2.403
Q235CG-CG-HG2 33.666 33.594 2.400
A236CA-CA-HA 54.944 54.970 4.160
A236CA-CB-HA 54.944 18.568 4.164
A236CB-CA-HB 18.565 54.728 1.511
A236CB-CB-HB 18.565 18.530 1.506
V237CA-CA-HA 66.799 66.832 3.670
V237CA-CA-HA 66.932 66.890 3.670
V237CB-CB-HB 31.819 31.842 2.085
V237CB-CG1-HB 31.819 22.719 2.095
V237CB-CG2-HB 31.819 24.666 2.096
V237CG1-CB-HG1 22.765 31.742 0.989
V237CG1-CG1-HG1 22.765 22.753 0.988
V237CG1-CG2-HG2 22.765 24.445 0.992
V237CG2-CB-HG2 24.514 31.786 1.070
V237CG2-CG1-HG2 24.514 22.665 1.070
V237CG2-CG2-HG2 24.514 24.622 1.073
S238CA-CA-HA 62.135 62.362 4.117
S238CB-CA-HB2 62.619 62.096 3.907
S238CB-CB-HB2 62.619 62.579 3.911
A239CA-CA-HA 54.427 54.442 4.204
A239CA-CB-HA 54.427 18.225 4.195
A239CB-CA-HB 18.383 54.489 1.509
A239CB-CB-HB 18.383 18.347 1.498
M240CA-CA-HA 57.856 57.907 4.223
M240CA-CB-HA 57.856 33.569 4.240
M240CA-CG-HA 57.856 31.422 4.235
M240CB-CA-HB2 33.835 57.937 2.240
M240CB-CB-HB2 33.835 33.819 2.236
M240CB-CG-HB2 33.835 31.402 2.232
M240CE-CE-HE 17.590 17.673 2.096
M240CG-CA-HG2 31.515 57.846 2.563
M240CG-CB-HG2 31.515 33.779 2.567
M240CG-CG-HG2 31.515 31.382 2.564
L241CA-CB-HA 55.720 42.360 4.331
L241CA-CD1-HA 55.720 26.660 4.337
L241CD1-CA-HD1 26.679 55.488 0.754
L241CD1-CB-HD1 26.679 42.331 0.754
L241CD1-CD1-HD1 26.679 26.763 0.753
L241CD1-CD2-HD1 26.679 22.412 0.755
L241CD2-CB-HD2 22.417 42.436 0.824
L241CD2-CD1-HD2 22.417 26.788 0.814
L241CD2-CD2-HD2 22.417 22.496 0.816
G242CA-CA-HA2 46.443 46.457 3.767
;
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 7
2 . . N 15 15N . . . . . . . . . . 50595 7
stop_
save_
#########################
# Spectral peak lists #
#########################
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_