Content for NMR-STAR saveframe, spectral_peak_list_10
save_spectral_peak_list_10
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_10
_Spectral_peak_list.Entry_ID 52953
_Spectral_peak_list.ID 10
_Spectral_peak_list.Name HCCH_TOCSY
_Spectral_peak_list.Sample_ID 2
_Spectral_peak_list.Sample_label $sample_2
_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 10
_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 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
Assignment w1 w2 w3
P4CA-CA-HA 64.356 64.283 4.440
P4CB-CA-HA 32.852 64.271 4.441
P4CD-CA-HA 51.588 64.264 4.443
P4CG-CA-HA 28.281 64.296 4.442
E5CA-CG-HG 57.864 36.981 2.014
E5CB-CG-HG 31.097 36.895 1.999
E5CG-CA-HA 37.111 57.737 4.131
E5CG-CG-HG 37.075 36.961 1.999
F6CA-CB-HB2 58.454 40.257 3.012
I8CA-CA-HA 61.844 61.786 3.770
I8CA-CB-HB 61.841 40.274 1.930
I8CA-CD1-HD1 61.864 14.044 0.910
I8CA-CG1-HG12 61.171 27.565 1.511
I8CA-CG1-HG13 61.900 27.453 1.227
I8CA-CG2-HG2 61.846 17.821 0.986
I8CB-CA-HA 40.359 61.788 3.770
I8CB-CB-HB 40.369 40.304 1.931
I8CB-CD1-HD1 40.370 14.038 0.909
I8CB-CG1-HG12 40.334 27.481 1.504
I8CB-CG1-HG13 40.325 27.494 1.225
I8CB-CG2-HG2 40.277 17.838 0.985
I8CD1-CA-HA 14.073 61.748 3.769
I8CD1-CB-HB 14.142 40.301 1.933
I8CD1-CD1-HD1 14.164 14.058 0.911
I8CD1-CG1-HG12 14.143 27.567 1.509
I8CD1-CG1-HG13 14.129 27.486 1.224
I8CD1-CG2-HG2 14.268 17.856 0.987
I8CG1-CA-HA 27.442 61.738 3.770
I8CG1-CB-HB 27.542 40.285 1.932
I8CG1-CD1-HD1 27.574 14.053 0.910
I8CG1-CG1-HG12 27.020 27.667 1.511
I8CG1-CG1-HG13 27.607 27.613 1.227
I8CG1-CG2-HG2 27.594 17.859 0.987
I8CG2-CA-HA 17.940 61.740 3.769
I8CG2-CB-HB 17.871 40.302 1.932
I8CG2-CD1-HD1 17.879 14.083 0.912
I8CG2-CG1-HG12 17.865 27.582 1.511
I8CG2-CG1-HG13 17.952 27.602 1.230
I8CG2-CG2-HG2 17.997 17.877 0.987
K9CA-CA-HA 58.932 58.870 4.165
K9CA-CB-HB3 58.977 34.486 1.795
K9CA-CB-HB2 58.979 34.500 1.725
K9CA-CD-HD 58.896 30.037 1.671
K9CA-CE-HE 58.906 43.014 2.990
K9CA-CG-HG 58.965 25.622 1.401
K9CB-CA-HA 34.581 58.849 4.167
K9CB-CB-HB3 34.577 34.486 1.794
K9CB-CB-HB2 34.563 34.402 1.723
K9CB-CD-HD 34.645 30.031 1.671
K9CB-CE-HE 34.592 43.020 2.989
K9CB-CG-HG 34.546 25.628 1.401
K9CD-CA-HA 30.180 58.932 4.166
K9CD-CB-HB3 30.172 34.426 1.797
K9CD-CB-HB2 30.246 34.647 1.722
K9CD-CD-HD 30.119 29.978 1.678
K9CD-CE-HE 30.065 42.982 2.993
K9CD-CG-HG 30.081 25.674 1.406
K9CE-CB-HB3 43.124 34.379 1.791
K9CE-CB-HB2 43.163 34.551 1.726
K9CE-CD-HD 43.070 29.964 1.680
K9CE-CE-HE 43.160 42.973 2.993
K9CE-CG-HG 43.129 25.621 1.401
K9CG-CA-HA 25.704 58.864 4.164
K9CG-CB-HB3 25.591 34.457 1.792
K9CG-CB-HB2 25.777 34.474 1.722
K9CG-CD-HD 25.768 30.003 1.673
K9CG-CE-HE 25.793 42.990 2.991
K9CG-CG-HG 25.771 25.609 1.401
V10CA-CA-HA 62.390 62.306 3.703
V10CA-CB-HB 62.421 33.917 2.120
V10CA-CG1-HG1 62.418 21.326 0.965
V10CA-CG2-HG2 62.416 20.458 0.962
V10CB-CA-HA 34.049 62.323 3.703
V10CB-CB-HB 33.969 33.911 2.121
V10CB-CG1-HG1 34.016 21.346 0.965
V10CB-CG2-HG2 34.030 20.510 0.963
V10CG-CA-HA 21.012 62.310 3.703
V10CG-CB-HB 21.062 33.919 2.124
V10CG-CG1-HG1 20.862 21.315 0.966
V10CG-CG2-HG2 21.140 20.488 0.964
Q11CA-CA-HA 54.461 54.376 4.689
Q11CA-CB-HB3 54.561 29.885 2.078
Q11CA-CB-HB2 54.551 29.915 1.959
Q11CA-CG-HG 54.442 34.196 2.402
Q11CB-CA-HA 30.637 54.331 4.689
Q11CB-CB-HB3 29.945 29.883 2.079
Q11CB-CB-HB2 29.960 29.915 1.960
Q11CB-CG-HG 30.039 34.162 2.402
Q11CG-CA-HA 34.313 54.369 4.689
Q11CG-CB-HB3 34.326 29.893 2.081
Q11CG-CB-HB2 34.329 29.809 1.950
Q11CG-CG-HG 34.356 34.196 2.402
P14CA-CA-HA 64.034 63.982 4.374
P14CA-CB-HB3 64.064 32.806 2.231
P14CA-CB-HB2 64.038 32.824 1.859
P14CA-CG-HG 64.049 28.133 1.972
P14CB-CA-HA 32.895 63.988 4.373
P14CB-CB-HB3 32.930 32.845 2.231
P14CB-CB-HB2 32.933 32.810 1.862
P14CB-CG-HG 32.773 28.108 1.977
P14CD-CA-HA 51.319 63.991 4.373
P14CD-CB-HB3 51.325 32.823 2.230
P14CD-CB-HB2 51.291 32.841 1.863
P14CG-CA-HA 28.273 63.973 4.374
P14CG-CB-HB3 28.165 32.747 2.225
P14CG-CB-HB2 28.152 32.802 1.856
D15CA-CA-HA 55.215 55.081 4.567
D15CA-CB-HB3 55.140 41.802 2.663
D15CA-CB-HB2 55.164 41.897 2.618
D15CB-CA-HA 41.944 55.086 4.567
D15CB-CB-HB3 41.926 41.837 2.662
D15CB-CB-HB2 41.892 41.807 2.615
V16CA-CA-HA 63.207 63.164 4.079
V16CA-CB-HB 63.117 33.500 2.075
V16CA-CG1-HG1 63.197 21.926 0.886
V16CA-CG2-HG2 63.188 21.091 0.894
V16CB-CA-HA 33.544 63.148 4.079
V16CB-CB-HB 33.601 33.498 2.075
V16CB-CG1-HG1 33.566 21.924 0.887
V16CB-CG2-HG2 33.584 21.080 0.893
V16CG-CA-HA 21.633 63.167 4.079
V16CG-CB-HB 21.535 33.513 2.072
V16CG-CG1-HG1 21.455 21.910 0.887
V16CG-CG2-HG2 21.727 21.090 0.893
A17CA-CA-HA 54.634 53.827 4.223
A17CA-CB-HB 53.875 19.755 1.366
A17CB-CA-HA 19.812 53.805 4.218
A17CB-CA-HB 19.834 53.804 1.367
A17CB-CB-HB 19.839 19.830 1.372
G18CA-CA-HA3 46.423 46.326 3.934
G18CA-CA-HA2 46.489 46.374 3.267
G19CA-CA-HA3 46.055 45.900 4.031
G19CA-CA-HA2 46.089 45.901 3.912
Y20CA-CB-HB3 58.253 39.355 3.008
Y20CA-CB-HB2 58.232 39.365 3.236
Y20CB-CA-HA 39.525 58.132 4.698
Y20CB-CB-HB3 39.505 39.387 3.002
Y20CB-CB-HB2 39.322 39.299 3.224
H21CA-CB-HB3 56.860 32.736 3.059
H21CA-CB-HB2 56.868 32.739 2.945
H21CB-CB-HB3 32.601 32.876 3.051
H21CB-CB-HB2 32.802 32.802 2.950
N22CA-CA-HA 54.844 54.754 3.746
N22CA-CB-HB3 54.794 38.105 2.765
N22CA-CB-HB2 54.768 38.149 2.590
N22CB-CA-HA 38.159 54.771 3.746
N22CB-CB-HB3 38.088 38.087 2.763
N22CB-CB-HB2 38.105 38.159 2.590
L23CA-CA-HA 55.942 55.864 4.340
L23CA-CB-HB3 55.913 44.163 2.029
L23CA-CB-HB2 55.920 44.249 1.537
L23CA-CD-HD 55.906 24.151 0.954
L23CA-CG-HG 55.919 27.328 0.885
L23CB-CA-HA 44.335 55.867 4.333
L23CB-CB-HB3 44.347 44.323 2.026
L23CB-CD-HD 44.340 24.232 0.952
L23CB-CG-HG 44.290 26.978 0.889
L23CD-CA-HA 24.187 55.966 4.337
L23CD-CB-HB3 24.266 44.360 2.034
L23CD-CD-HD 24.231 24.150 0.952
L23CG-CA-HA 27.461 55.802 4.331
L23CG-CB-HB3 27.629 44.268 2.032
L23CG-CD-HD 27.464 24.140 0.954
L23CG-CG-HG 27.514 27.314 0.887
R24CA-CB-HB3 57.869 30.495 1.816
R24CA-CD-HD3 57.732 44.323 3.229
R24CA-CD-HD2 57.810 44.358 3.145
R24CB-CD-HD3 30.731 44.298 3.226
R24CB-CD-HD2 30.662 44.356 3.147
R24CD-CA-HA 44.423 57.680 4.669
R24CD-CB-HB3 44.477 30.476 1.810
R24CD-CD-HD3 44.354 44.285 3.215
R24CD-CD-HD2 44.400 44.290 3.147
R24CG-CA-HA 28.870 57.893 4.666
R24CG-CB-HB3 28.804 30.409 1.809
R24CG-CD-HD2 28.629 44.286 3.154
C25CA-CB-HB3 58.265 31.327 2.826
C25CA-CB-HB2 58.513 31.328 3.346
C25CB-CA-HA 31.775 58.063 4.918
C25CB-CB-HB3 31.365 31.252 2.829
C25CB-CB-HB2 31.421 31.360 3.351
G26CA-CA-HA2 46.710 46.348 4.854
E27CA-CA-HA 55.901 55.780 5.054
E27CA-CB-HB 55.889 33.803 1.967
E27CA-CG-HG 55.867 37.800 2.240
E27CB-CA-HA 33.899 55.658 5.053
E27CB-CB-HB 33.864 33.783 1.962
E27CB-CG-HG 33.826 37.773 2.237
E27CG-CA-HA 37.892 55.787 5.055
E27CG-CB-HB 37.850 33.801 1.962
V28CA-CA-HA 62.733 62.575 4.503
V28CA-CB-HB 62.614 32.678 1.552
V28CA-CG1-HG1 62.629 22.949 0.800
V28CA-CG2-HG2 62.633 23.814 0.403
V28CB-CA-HA 32.784 62.698 4.498
V28CB-CB-HB 32.851 32.737 1.547
V28CB-CG1-HG1 32.732 22.975 0.798
V28CB-CG2-HG2 32.764 23.742 0.404
V28CG-CA-HA 23.423 62.653 4.498
V28CG-CB-HB 23.331 32.753 1.551
V28CG-CG1-HG1 23.495 22.989 0.799
V28CG-CG2-HG2 23.296 23.730 0.404
L29CA-CA-HA 53.588 53.594 5.275
L29CA-CB-HB3 53.492 45.815 0.948
L29CA-CB-HB2 53.637 45.692 1.444
L29CA-CD1-HD1 53.639 24.683 0.630
L29CA-CD2-HD2 53.599 25.939 0.667
L29CA-CG-HG 53.566 28.196 1.451
L29CB-CA-HA 45.889 53.595 5.273
L29CB-CB-HB3 45.798 45.553 0.938
L29CB-CB-HB2 45.744 45.610 1.449
L29CB-CD1-HD1 45.905 24.709 0.629
L29CB-CD2-HD2 45.826 26.008 0.667
L29CB-CG-HG 45.926 28.205 1.449
L29CD-CD2-HD2 25.002 25.966 0.667
L29CD1-CB-HB2 24.851 45.736 1.458
L29CD2-CA-HA 25.573 53.529 5.274
L29CD2-CB-HB3 25.528 45.820 0.938
L29CD2-CD1-HD1 25.733 24.718 0.630
L29CD2-CG-HG 25.521 28.177 1.444
L29CG-CA-HA 28.379 53.529 5.269
L29CG-CB-HB3 28.418 45.899 0.940
L29CG-CB-HB2 28.240 45.704 1.445
L29CG-CD1-HD1 28.330 24.730 0.628
L29CG-CD2-HD2 28.320 26.006 0.668
L29CG-CG-HG 28.229 28.172 1.447
F30CA-CA-HA 56.336 56.285 5.119
F30CA-CB-HB3 56.318 43.643 2.380
F30CA-CB-HB2 56.373 43.595 2.161
F30CB-CA-HA 43.643 56.270 5.134
S31CA-CA-HA 56.825 56.726 4.413
S31CA-CB-HB3 57.099 66.038 3.312
S31CA-CB-HB2 57.162 65.994 3.729
S31CB-CA-HA 66.181 57.025 4.411
A32CA-CB-HB 51.908 18.406 1.477
A32CB-CA-HA 18.400 51.877 3.595
A32CB-CB-HB 18.483 18.406 1.483
P33CA-CA-HA 65.610 65.497 4.437
P33CA-CB-HB3 65.475 35.567 2.181
P33CA-CB-HB2 65.496 35.570 2.564
P33CA-CG-HG3 65.495 25.489 1.910
P33CA-CG-HG2 65.429 25.493 2.013
P33CB-CA-HA 35.582 65.444 4.434
P33CB-CB-HB3 35.657 35.559 2.180
P33CB-CB-HB2 35.681 35.619 2.568
P33CB-CD-HD3 35.640 51.336 3.693
P33CB-CD-HD2 35.469 51.224 3.487
P33CB-CG-HG3 35.451 25.505 1.907
P33CB-CG-HG2 35.713 25.381 2.007
P33CD-CA-HA 51.309 65.265 4.436
P33CD-CB-HB3 51.615 35.521 2.171
P33CD-CB-HB2 51.621 35.619 2.561
P33CD-CD-HD2 51.345 51.114 3.480
P33CD-CG-HG3 51.308 25.453 1.915
P33CD-CG-HG2 51.513 25.426 2.013
P33CG-CA-HA 25.629 65.525 4.434
P33CG-CB-HB3 25.617 35.611 2.179
P33CG-CB-HB2 25.474 35.623 2.560
P33CG-CD-HD3 25.542 51.410 3.710
P33CG-CD-HD2 25.503 51.163 3.482
P33CG-CG-HG3 25.582 25.529 1.914
P33CG-CG-HG2 25.440 25.375 2.006
A34CA-CB-HB 53.536 20.429 1.457
A34CB-CA-HA 20.500 53.505 4.712
S35CA-CB-HB3 58.638 64.103 3.637
S35CA-CB-HB2 58.648 64.095 3.693
S35CB-CB-HB2 64.232 64.090 3.684
Y36CA-CA-HA 57.812 57.796 5.101
Y36CA-CB-HB3 57.703 41.527 2.497
Y36CA-CB-HB2 58.199 41.455 3.083
Y36CB-CA-HA 41.677 57.603 5.099
Y36CB-CB-HB2 41.485 41.446 3.076
E37CA-CA-HA 55.115 55.081 5.016
E37CA-CB-HB3 54.923 36.230 1.662
E37CA-CB-HB2 55.069 36.294 1.805
E37CA-CG-HG 55.110 38.257 1.970
E37CB-CG-HG 36.114 38.202 1.970
E37CG-CB-HB3 38.492 36.188 1.669
E37CG-CB-HB2 38.439 36.236 1.798
E37CG-CG-HG 38.445 38.260 1.974
V38CA-CB-HB 60.887 35.637 1.669
V38CA-CG1-HG1 60.864 23.419 0.598
V38CA-CG2-HG2 60.857 22.394 0.012
V38CB-CB-HB 35.932 36.032 1.664
V38CB-CG1-HG1 35.673 23.423 0.597
V38CB-CG2-HG2 35.709 22.390 0.011
V38CG-CB-HB 22.907 35.691 1.673
V38CG-CG1-HG1 22.818 23.418 0.598
V38CG-CG2-HG2 23.099 22.410 0.012
S39CA-CA-HA 57.397 57.212 4.659
S39CA-CB-HB3 57.420 64.118 3.888
S39CA-CB-HB2 57.316 64.138 3.566
S39CB-CA-HA 64.173 57.288 4.653
S39CB-CB-HB2 64.286 64.158 3.566
C40CA-CA-HA 62.107 62.177 4.408
C40CA-CB-HB3 62.078 30.555 3.575
C40CA-CB-HB2 62.090 30.547 2.769
C40CB-CA-HA 30.628 62.057 4.403
C40CB-CB-HB3 30.800 30.593 3.551
L41CA-CA-HA 56.480 56.311 4.573
L41CA-CB-HB3 56.605 43.157 1.295
L41CA-CB-HB2 56.592 43.215 1.590
L41CA-CD1-HD1 56.410 23.382 0.837
L41CA-CD2-HD2 56.482 26.202 0.707
L41CB-CA-HA 43.445 56.332 4.573
L41CB-CD2-HD2 43.279 26.288 0.707
L41CD1-CA-HA 23.517 56.346 4.572
L41CD1-CD1-HD1 23.489 23.415 0.834
L41CD1-CD2-HD2 23.438 26.213 0.707
L41CD2-CA-HA 26.130 56.370 4.575
L41CD2-CD1-HD1 26.085 23.554 0.834
L41CD2-CD2-HD2 26.176 26.221 0.709
L41CG-CA-HA 28.423 56.527 4.575
L41CG-CD2-HD2 28.400 26.197 0.700
L42CA-CB-HB3 56.778 42.023 1.061
L42CA-CB-HB2 56.752 41.993 0.570
L42CA-CD1-HD1 56.734 27.022 0.844
L42CA-CD2-HD2 56.839 24.330 0.779
L42CA-CG-HG 56.666 29.278 1.635
L42CB-CA-HA 41.894 56.643 4.417
L42CB-CB-HB3 41.871 42.102 1.076
L42CB-CB-HB2 42.114 42.036 0.571
L42CB-CD1-HD1 41.998 27.074 0.846
L42CB-CD2-HD2 42.104 24.328 0.778
L42CB-CG-HG 42.245 29.424 1.629
L42CD1-CA-HA 26.990 56.639 4.415
L42CD1-CB-HB3 26.791 41.921 1.072
L42CD1-CB-HB2 26.981 41.969 0.578
L42CD1-CD2-HD2 27.003 24.330 0.779
L42CD1-CG-HG 26.883 29.364 1.630
L42CD2-CA-HA 24.496 56.634 4.418
L42CD2-CB-HB3 24.300 42.014 1.070
L42CD2-CB-HB2 24.675 42.071 0.560
L42CD2-CD1-HD1 24.399 27.000 0.845
L42CD2-CD2-HD2 24.441 24.322 0.781
L42CD2-CG-HG 24.450 29.281 1.628
L42CG-CA-HA 29.215 56.674 4.414
L42CG-CB-HB3 29.477 41.894 1.084
L42CG-CB-HB2 29.331 41.898 0.565
L42CG-CD1-HD1 29.441 27.046 0.846
L42CG-CD2-HD2 29.452 24.366 0.779
D44CA-CB-HB3 55.416 41.186 2.891
D44CB-CB-HB3 41.263 41.209 2.890
Q45CA-CA-HA 57.909 57.770 4.299
Q45CA-CB-HB* 57.843 31.911 1.776
Q45CA-CG-HG3 57.961 36.217 2.447
Q45CA-CG-HG2 57.930 36.124 2.528
Q45CB-CA-HA 32.201 57.855 4.293
Q45CB-CB-HB* 32.001 31.925 1.763
Q45CB-CG-HG3 32.074 36.159 2.445
Q45CB-CG-HG2 31.990 36.122 2.524
Q45CG-CA-HA 36.242 57.845 4.298
Q45CG-CB-HB* 36.170 31.899 1.770
Q45CG-CG-HG3 36.249 36.080 2.445
Q45CG-CG-HG2 36.231 36.180 2.527
R46CA-CA-HA 55.580 55.444 5.316
R46CA-CB-HB 55.680 33.039 1.671
R46CA-CD-HD3 55.660 44.448 3.060
R46CA-CD-HD2 55.601 44.465 2.976
R46CA-CG-HG 55.887 28.446 1.349
R46CB-CA-HA 33.085 55.474 5.309
R46CB-CB-HB 33.115 33.027 1.671
R46CB-CD-HD3 33.122 44.468 3.060
R46CB-CD-HD2 33.119 44.445 2.976
R46CB-CG-HG 32.822 28.425 1.338
R46CD-CA-HA 44.519 55.553 5.310
R46CD-CB-HB 44.612 33.051 1.670
R46CD-CD-HD3 44.618 44.525 3.061
R46CD-CD-HD2 44.453 44.466 2.980
R46CG-CA-HA 28.392 55.613 5.312
R46CG-CB-HB 28.354 33.051 1.669
R46CG-CD-HD3 28.415 44.491 3.064
R46CG-CD-HD2 28.221 44.479 2.979
R46CG-CG-HG 28.505 28.424 1.342
L47CA-CA-HA 52.659 52.565 5.057
L47CA-CB-HB3 52.558 43.251 1.669
L47CA-CB-HB2 52.610 43.200 1.767
L47CA-CD1-HD1 52.603 25.318 0.410
L47CA-CD2-HD2 52.611 25.501 0.752
L47CA-CG-HG 52.542 28.931 1.570
L47CB-CA-HA 43.304 52.592 5.056
L47CB-CB-HB3 43.445 43.375 1.677
L47CB-CB-HB2 43.366 43.353 1.773
L47CB-CD1-HD1 43.279 25.301 0.409
L47CB-CD2-HD2 43.358 25.593 0.751
L47CD2-CA-HA 25.512 52.546 5.058
L47CD2-CB-HB3 25.514 43.365 1.687
L47CD2-CB-HB2 25.433 43.243 1.774
L47CD2-CD1-HD1 25.482 25.316 0.410
L47CD2-CD2-HD2 25.461 25.532 0.752
L47CG-CA-HA 28.784 52.724 5.058
L47CG-CB-HB2 29.157 43.296 1.779
L47CG-CD1-HD1 29.100 25.329 0.409
L47CG-CD2-HD2 29.026 25.506 0.752
L47CG-CG-HG 28.885 28.867 1.562
P48CA-CA-HA 64.123 64.117 4.672
P48CA-CB-HB3 63.916 32.938 2.036
P48CA-CB-HB2 64.057 32.762 2.553
P48CA-CD-HD3 64.004 51.177 3.631
P48CA-CD-HD2 64.039 51.071 3.772
P48CA-CG-HG 64.048 28.899 2.113
P48CB-CA-HA 32.848 64.135 4.671
P48CB-CB-HB2 32.903 32.739 2.543
P48CB-CD-HD3 32.790 51.168 3.630
P48CB-CD-HD2 32.906 51.147 3.779
P48CB-CG-HG 32.895 28.933 2.121
P48CD-CA-HA 51.417 63.853 4.667
P48CD-CB-HB3 51.454 32.776 2.035
P48CD-CB-HB2 51.465 32.739 2.549
P48CD-CD-HD3 51.311 51.207 3.632
P48CD-CG-HG 51.366 28.936 2.110
P48CG-CA-HA 29.053 63.980 4.668
P48CG-CB-HB3 29.010 32.744 2.035
P48CG-CB-HB2 29.156 32.686 2.542
P48CG-CG-HG 28.971 28.815 2.109
L49CA-CA-HA 60.853 60.701 3.859
L49CA-CB-HB3 60.814 43.616 1.291
L49CA-CB-HB2 60.869 43.593 1.858
L49CA-CD1-HD1 60.881 26.393 0.822
L49CA-CD2-HD2 60.907 26.824 0.744
L49CA-CG-HG 60.580 31.469 1.860
L49CB-CA-HA 43.905 60.702 3.862
L49CB-CB-HB2 43.614 43.628 1.845
L49CB-CD1-HD1 43.761 26.307 0.824
L49CB-CD2-HD2 43.699 26.785 0.745
L49CB-CG-HG 44.232 31.516 1.849
L49CD2-CA-HA 26.696 60.775 3.858
L49CD2-CB-HB2 27.041 43.650 1.856
L49CD2-CD1-HD1 26.782 26.426 0.822
L49CD2-CD2-HD2 26.678 26.825 0.744
L49CG-CA-HA 31.549 60.403 3.867
D50CA-CA-HA 56.763 56.460 4.306
D50CA-CB-HB 56.544 40.937 2.699
D50CB-CA-HA 41.067 56.583 4.307
D50CB-CB-HB 41.078 41.096 2.701
G51CA-CA-HA3 45.498 45.445 3.688
G51CA-CA-HA2 45.508 45.510 4.510
Y52CA-CA-HA 65.954 65.702 4.057
Y52CA-CB-HB* 65.834 37.982 2.903
Y52CB-CA-HA 38.088 65.755 4.069
Y52CB-CB-HB* 38.063 38.057 2.906
P53CA-CA-HA 67.803 67.686 3.609
P53CA-CB-HB3 67.851 31.653 1.631
P53CA-CB-HB2 67.658 31.631 1.733
P53CA-CG-HG3 67.581 30.286 2.014
P53CA-CG-HG2 67.653 30.016 0.749
P53CB-CA-HA 31.748 67.720 3.608
P53CD-CA-HA 51.013 67.767 3.591
P53CD-CB-HB2 50.963 31.564 1.729
P53CD-CD-HD2 50.979 50.834 3.142
P53CD-CG-HG3 50.932 30.105 2.011
P53CD-CG-HG2 50.855 29.972 0.768
P53CG-CA-HA 29.999 67.688 3.611
P53CG-CG-HG2 29.960 29.959 0.773
E54CA-CA-HA 59.995 59.957 4.048
E54CA-CB-HB3 59.820 30.526 1.986
E54CA-CB-HB2 59.913 30.561 1.898
E54CA-CG-HG 59.883 36.987 2.222
E54CB-CB-HB2 30.672 30.549 1.873
E54CB-CG-HG 30.654 37.011 2.223
E54CG-CA-HA 37.103 59.874 4.047
E54CG-CB-HB3 37.106 30.534 1.990
E54CG-CB-HB2 37.006 30.550 1.876
E54CG-CG-HG 37.181 37.005 2.222
H55CA-CB-HB3 60.427 29.106 3.234
H55CA-CB-HB2 60.392 29.145 2.921
H55CB-CA-HA 29.246 60.325 4.045
F56CA-CA-HA 63.843 63.962 3.404
F56CA-CB-HB3 63.846 39.924 2.609
F56CA-CB-HB2 63.869 39.901 3.453
F56CB-CA-HA 40.022 63.825 3.395
F56CB-CB-HB2 40.037 39.979 3.469
R57CA-CB-HB3 60.498 31.601 2.061
R57CA-CD-HD3 60.636 44.104 3.338
R57CA-CD-HD2 60.605 44.147 3.197
R57CA-CG-HG3 60.483 28.742 1.742
R57CA-CG-HG2 60.493 28.806 1.528
R57CB-CD-HD3 31.657 44.133 3.336
R57CB-CD-HD2 31.387 44.168 3.205
R57CB-CG-HG3 31.675 28.849 1.739
R57CD-CB-HB3 44.192 31.602 2.068
R57CD-CD-HD3 44.174 44.156 3.331
R57CD-CG-HG3 44.097 28.833 1.749
R57CG-CD-HD3 28.795 44.102 3.330
R57CG-CD-HD2 28.609 44.206 3.203
R57CG-CG-HG3 28.744 28.777 1.743
L58CA-CA-HA 57.837 57.707 4.037
L58CA-CB-HB3 57.839 43.619 1.329
L58CA-CB-HB2 57.720 43.504 1.697
L58CA-CD1-HD1 57.750 25.745 0.832
L58CA-CD2-HD2 57.810 24.040 0.819
L58CB-CA-HA 43.663 57.736 4.040
L58CB-CB-HB3 43.560 43.533 1.313
L58CB-CD1-HD1 43.634 25.734 0.832
L58CB-CD2-HD2 43.731 24.014 0.814
L58CD1-CA-HA 25.774 57.712 4.038
L58CD1-CB-HB3 25.829 43.576 1.317
L58CD1-CD2-HD2 25.700 23.993 0.814
L58CD2-CA-HA 24.053 57.754 4.044
L58CD2-CB-HB3 24.065 43.597 1.320
L58CD2-CD1-HD1 24.112 25.711 0.832
L58CD2-CD2-HD2 24.032 23.897 0.819
L58CG-CA-HA 27.772 57.741 4.040
L58CG-CB-HB3 27.804 43.593 1.313
L58CG-CB-HB2 27.923 43.483 1.696
L58CG-CD2-HD3 27.961 24.010 0.813
K59CA-CA-HA 56.124 55.981 4.090
K59CA-CB-HB3 56.096 32.456 0.668
K59CA-CB-HB2 56.032 32.471 0.344
K59CA-CE-HE3 55.973 42.797 2.907
K59CA-CE-HE2 56.118 42.808 2.852
K59CA-CG-HG 56.110 25.133 0.949
K59CB-CA-HA 32.512 55.957 4.090
K59CB-CB-HB3 32.497 32.446 0.670
K59CB-CB-HB2 32.428 32.450 0.337
K59CB-CD-HD 32.798 28.492 1.366
K59CB-CE-HE3 32.580 42.763 2.902
K59CB-CE-HE2 32.581 42.837 2.863
K59CB-CG-HG 32.573 25.171 0.947
K59CD-CA-HA 28.818 56.024 4.091
K59CD-CB-HB3 28.644 32.492 0.662
K59CD-CB-HB2 28.690 32.469 0.338
K59CD-CE-HE3 28.630 42.773 2.901
K59CD-CE-HE2 28.614 42.813 2.865
K59CD-CG-HG 28.678 25.154 0.946
K59CE-CA-HA 42.786 55.984 4.084
K59CE-CB-HB3 42.809 32.396 0.664
K59CE-CB-HB2 42.979 32.441 0.339
K59CE-CD-HD 43.049 28.523 1.370
K59CE-CE-HE3 42.969 42.858 2.907
K59CE-CE-HE2 42.938 42.752 2.862
K59CE-CG-HG 42.899 25.150 0.949
K59CG-CA-HA 25.138 55.995 4.089
K59CG-CB-HB3 25.175 32.321 0.653
K59CG-CB-HB2 25.125 32.493 0.337
K59CG-CD-HD 25.703 28.492 1.370
K59CG-CE-HE3 25.174 42.776 2.905
K59CG-CE-HE2 25.156 42.816 2.863
K59CG-CG-HG 25.061 25.310 0.945
H60CA-CB-HB3 55.154 30.924 1.554
H60CA-CB-HB2 55.146 30.970 2.505
H60CB-CA-HA 31.012 55.102 4.941
F61CA-CB-HB2 58.287 41.394 2.715
F61CB-CA-HA 41.424 58.251 4.511
T62CA-CA-HA 62.467 62.456 4.172
T62CA-CB-HB 62.479 70.613 4.068
T62CA-CG2-HG2 62.471 22.103 1.043
T62CB-CA-HA 70.720 62.467 4.174
T62CB-CB-HB 70.734 70.606 4.067
T62CB-CG2-HG2 70.858 22.048 1.041
T62CG2-CA-HA 22.138 62.460 4.173
T62CG2-CB-HB 22.154 70.586 4.066
T62CG2-CG2-HG2 22.182 22.070 1.042
N63CA-CA-HA 54.047 53.934 4.626
N63CA-CB-HB3 54.048 39.742 2.775
N63CA-CB-HB2 54.066 39.810 2.636
N63CB-CA-HA 39.861 53.949 4.627
N63CB-CB-HB3 39.764 39.672 2.774
N63CB-CB-HB2 39.784 39.810 2.639
S67CA-CA-HA 59.286 59.260 4.499
S67CA-CB-HB3 59.311 64.754 3.858
S67CA-CB-HB2 59.432 64.633 3.771
S67CB-CA-HA 64.863 59.256 4.499
S67CB-CB-HB3 64.915 64.706 3.862
S67CB-CB-HB2 64.749 64.550 3.776
L68CA-CA-HA 57.804 57.703 4.187
L68CA-CB-HB 57.783 44.121 1.576
L68CA-CD1-HD1 57.783 26.052 0.893
L68CA-CD2-HD2 57.773 24.353 0.854
L68CA-CG-HG 57.794 27.994 1.589
L68CB-CA-HA 44.216 57.651 4.186
L68CB-CB-HB 44.218 44.134 1.576
L68CB-CD1-HD1 44.225 26.057 0.892
L68CB-CD2-HD2 44.311 24.344 0.853
L68CB-CG-HG 44.180 28.027 1.587
L68CD1-CA-HA 26.010 57.629 4.187
L68CD1-CB-HB 25.876 44.133 1.577
L68CD1-CD1-HD1 25.914 26.047 0.892
L68CD1-CD2-HD2 25.989 24.364 0.853
L68CD1-CG-HG 25.876 27.947 1.593
L68CD2-CA-HA 24.503 57.661 4.186
L68CD2-CB-HB 24.543 44.108 1.576
L68CD2-CD1-HD1 24.491 26.043 0.891
L68CD2-CD2-HD2 24.723 24.341 0.853
L68CD2-CG-HG 24.410 27.990 1.591
L68CG-CA-HA 28.149 57.663 4.186
L68CG-CB-HB 28.136 44.147 1.575
L68CG-CD1-HD1 28.183 26.049 0.892
L68CG-CD2-HD2 28.200 24.358 0.854
L68CG-CG-HG 28.069 27.979 1.594
;
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 H . 'not observed' 14 ppm . . . . . . 52953 10
2 . . C 13 C . 'not observed' 40 ppm . . . . . . 52953 10
3 . . C 13 C . 'not observed' 70 ppm . . . . . . 52953 10
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
1 $software_1 . . 52953 10
2 $software_2 . . 52953 10
3 $software_3 . . 52953 10
4 $software_4 . . 52953 10
5 $software_5 . . 52953 10
stop_
save_