Content for NMR-STAR saveframe, "spectral_peak_list_1"
save_spectral_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_1
_Spectral_peak_list.Entry_ID 34600
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 3
_Spectral_peak_list.Sample_label $sample_3
_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 1H-13C NOESY'
_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 Volume Data Height lw1 (hz) lw2 (hz) lw3 (hz)
P90CA-HB2-HA 63.075 2.231 4.386 9.23e+08 ga 6058946 250.0 80.0 20.0
P90CB-M89HG2-P90HB3 32.254 2.567 1.832 4.22e+08 ga 3302988 250.0 71.9 20.0
P90CB-HA-HB3 31.940 4.396 1.836 3.71e+08 ga 2102661 250.0 80.0 20.0
P90CB-HB2-HB3 32.271 2.244 1.828 29156670
P90CB-HB3-HB2 32.155 1.835 2.263 24193440
P90CD-M89HA-P90HD2 50.666 4.747 3.811 2544782
P90CD-M89HA-P90HD3 50.584 4.777 3.624 4.62e+08 ga 2884615 250.0 80.0 20.0
P90CD-HD2-HD3 50.700 3.800 3.614 20574872
P90CD-HD3-HD2 50.666 3.629 3.815 20315558
P90CG-HD*-HG* 27.322 3.727 1.972 1.36e+09 ga 3292504 250.0 80.0 39.8
Q93CB-HB2-HB3 29.325 2.091 1.917 22557504
Q93CB-HB3-HB2 29.202 1.917 2.098 22854818
Q93CB-HG*-HB2 29.312 2.300 2.106 23698784
Q93CB-HG*-HB3 29.395 2.295 1.925 7135804
A96CA-HB*-HA 52.398 1.349 4.264 1.67e+09 ga 7420664 250.0 72.4 37.1
L97CB-A96HB*-L97HB2 42.234 1.334 1.508 2.33e+08 ga 1484353 250.0 80.0 20.0
L97CB-HA-HB2 42.363 4.236 1.513 2.23e+08 ga 1558548 250.0 80.0 20.0
L97CB-HB2-HB3 42.383 1.497 1.610 45788728
L97CB-HB3-HB2 42.383 1.612 1.514 49783696
L97CB-HD2*-HB2 42.268 0.853 1.511 3.05e+08 ga 1922714 250.0 80.0 20.0
A100CA-HB*-HA 52.056 1.333 4.476 8.92e+08 ga 3840048 250.0 64.9 39.6
T101CB-HA-HB 69.970 4.347 4.148 3.09e+09 ga 22135816 250.0 66.2 23.3
T101CB-HG2*-HB 69.895 1.150 4.162 1.49e+09 ga 5318890 250.0 80.0 40.0
D103CB-HB2-HB3 41.487 2.659 2.907 16402936
D103CB-HB3-HB2 41.377 2.882 2.632 19536766
Q105CB-HA-HB* 29.059 4.269 2.179 5.54e+08 ga 2124800 250.0 75.2 40.0
Q105CB-HB*-HG3 28.955 2.170 2.026 26450600
Q105CB-HG2-HB* 29.035 2.315 2.173 9654096
Q105CB-HG3-HB* 28.979 2.030 2.178 30346274
R107CG-HB*-HG3 27.212 1.767 1.555 21335338
R107CG-HD*-HG3 27.178 3.135 1.553 5.89e+08 ga 2912052 250.0 80.0 29.7
I110CA-HB-HA 61.055 1.790 4.188 1.27e+09 ga 5136662 250.0 80.0 34.0
I110CA-V111HG1*-I110HA 60.939 0.832 4.187 1.94e+09 ga 8090288 250.0 80.0 31.6
V111CA-HG1*-HA 62.032 0.861 4.085 1.35e+09 ga 5402086 250.0 80.0 35.4
K115CA-P116HD2-K115HA 54.123 3.790 4.561 1.23e+09 ga 7065418 250.0 80.0 23.6
K115CB-HA-HB3 32.616 4.551 1.671 2.01e+08 ga 1568377 250.0 64.7 23.7
K115CB-HB2-HB3 32.606 1.793 1.663 41724924
K115CB-HB3-HB2 32.606 1.661 1.774 49342180
K115CB-HG2-HB3 32.582 1.429 1.667 9.12e+08 ga 3562238 250.0 79.2 39.5
K115CD-HG2-HD* 29.042 1.427 1.650 11596496
K115CG-HB3-HG2 24.538 1.638 1.419 10255640
K115CG-HB3-HG3 24.540 1.645 1.379 7834642
P116CD-K115HA-P116HD2 50.589 4.541 3.754 9.86e+08 ga 4474722 250.0 80.0 30.0
P116CD-K115HA-P116HD3 50.766 4.559 3.594 6.68e+08 ga 3161734 250.0 80.0 30.0
P116CD-HD2-HD3 50.643 3.762 3.589 28109262
P116CD-HD3-HD2 50.644 3.593 3.758 26656106
S123CA-HB*-HA 58.066 3.795 4.431 9.12e+08 ga 4108310 250.0 80.0 30.0
S123CA-HB3-HA 57.981 3.708 4.430 1.01e+09 ga 4801111 250.0 80.0 30.0
I125CG1-HG13-HG12 27.053 1.003 1.303 1.57e+09 ga 7806112 250.0 71.0 30.0
I125CG2-HB-HG2* 17.666 1.737 0.651 1.73e+09 ga 13527307 250.0 80.0 20.0
S126CB-HB*-HB* 65.024 3.506 3.512 239027328
F127CA-HB2-HA 57.348 2.847 4.599 8.89e+08 ga 3157032 244.2 80.0 40.0
F127CA-HB3-HA 57.370 3.011 4.594 1.17e+09 ga 5759818 250.0 80.0 30.1
F127CA-HD*-HA 57.293 7.096 4.604 7.63e+08 ga 2442338 250.0 80.0 40.0
F127CB-HA-HB2 40.700 4.572 2.837 7.47e+08 ga 2260248 250.0 80.0 40.0
F127CB-HA-HB3 40.509 4.592 3.015 1.07e+09 ga 4598610 299.7 78.7 30.5
F127CB-HB2-HB3 40.484 2.839 3.015 22763274
F127CB-HB3-HB2 40.478 3.014 2.838 20042952
F127CB-HD*-HB2 40.561 7.087 2.841 1.08e+09 ga 4022751 250.0 80.0 37.8
F127CB-HD*-HB3 40.484 7.092 3.013 9.39e+08 ga 4233001 250.0 80.0 31.1
F127CB-L142HB2-F127HB2 40.399 1.272 2.837 3.45e+08 ga 1978405 250.0 80.0 20.0
F127CB-L142HB2-F127HB3 40.736 1.295 3.012 1.66e+08 ga 1222484 248.8 76.9 20.0
F127CB-L142HD2*-F127HB2 40.132 0.980 2.839 4.48e+08 ga 2506556 250.0 80.0 20.0
F127CB-L142HD2*-F127HB3 40.601 0.983 3.010 1.42e+09 ga 4944221 250.0 80.0 40.0
F127CD1-HB2-HD* 129.281 2.839 7.091 2.24e+08 ga 1364375 250.0 80.0 20.0
F127CD1-HB3-HD* 128.980 3.008 7.081 1.76e+08 ga 1229341 250.0 80.0 20.0
F127CD1-HE*-HD* 128.998 7.321 7.089 6.09e+08 ga 4329092 250.0 73.1 22.7
F127CE1-HD*-HE* 129.212 7.066 7.298 3.42e+08 ga 2533138 250.0 66.9 23.3
K128CA-HB2-HA 55.135 1.756 4.926 5.92e+08 ga 3038910 250.0 80.0 26.3
K128CA-HB3-HA 55.156 1.531 4.929 7.76e+08 ga 3702401 250.0 80.0 33.0
K128CA-HG*-HA 55.080 1.264 4.927 7.07e+08 ga 3866622 250.0 77.2 27.1
K128CA-M135HA-K128HA 55.164 5.090 4.924 8258824
K128CB-HA-HB3 35.561 4.921 1.546 5.88e+08 ga 3376395 250.0 71.6 27.1
K128CB-HB2-HB3 35.588 1.753 1.537 18538474
K128CB-HB3-HB2 35.547 1.545 1.759 18287218
K128CB-HG*-HB2 35.761 1.268 1.770 3126742
K128CB-HG*-HB3 35.670 1.259 1.539 1.50e+09 ga 5624325 250.0 72.5 40.0
K128CG-HA-HG* 24.388 4.924 1.253 6.29e+08 ga 3309746 250.0 76.8 29.7
K128CG-HB2-HG* 24.459 1.760 1.270 3423466
K128CG-HB3-HG* 24.527 1.550 1.252 10199145
K128CG-HE*-HG* 24.526 2.942 1.249 3.74e+08 ga 2385397 249.1 79.5 23.8
K128CG-S133HA-K128HG* 24.550 4.275 1.257 2786336
K128CG-M135HG3-K128HG* 24.525 2.463 1.246 4.32e+08 ga 2286516 250.0 79.9 25.6
C129CA-HB2-HA 60.825 2.762 4.344 1.46e+09 ga 6620056 300.0 80.0 30.1
C129CA-L142HD1*-C129HA 60.729 0.988 4.349 1.34e+09 ga 7336284 282.0 80.0 27.5
C129CB-HA-HB2 29.459 4.352 2.770 9.10e+08 ga 4657742 292.9 73.4 28.3
C129CB-HA-HB3 29.466 4.330 3.375 5.85e+08 ga 2087919 250.0 79.9 39.9
C129CB-HB2-HB3 29.369 2.772 3.364 4.65e+09 ga 24777368 250.0 67.1 32.8
C129CB-HB3-HB2 29.404 3.362 2.772 4.85e+09 ga 26703576 250.0 70.5 30.2
C129CB-L142HD1*-C129HB2 29.401 0.987 2.770 8.31e+08 ga 3795570 250.0 67.4 40.0
C129CB-H145HD2-C129HB2 29.344 6.829 2.773 7.82e+08 ga 4002735 250.0 80.0 26.0
C129CB-H145HD2-C129HB3 29.211 6.847 3.360 2.16e+08 ga 1475437 250.0 80.0 19.9
D130CA-HB*-HA 55.527 2.757 4.463 1.84e+09 ga 13887303 250.0 69.0 21.5
D130CB-HA-HB* 40.023 4.462 2.758 1.87e+09 ga 13374055 250.0 71.5 22.4
V131CA-HB-HA 64.878 1.270 3.838 3.67e+08 ga 2001954 250.0 72.4 30.0
V131CA-HG1*-HA 64.801 0.726 3.837 9.24e+08 ga 6235624 250.0 64.4 25.8
V131CA-HG2*-HA 64.773 0.296 3.840 1.07e+09 ga 5602836 250.0 72.5 28.8
V131CB-HG1*-HB 33.113 0.728 1.269 9.93e+08 ga 3228876 250.0 80.0 40.0
V131CB-HG2*-HB 33.130 0.302 1.267 1.10e+09 ga 4876034 250.0 71.7 35.0
V131CG1-HA-HG1* 21.194 3.845 0.731 1.08e+09 ga 8089874 250.0 73.6 20.6
V131CG1-HG1*-HG1* 21.124 0.731 0.733 567505984
V131CG2-HA-HG2* 20.152 3.834 0.296 8.26e+08 ga 5806070 250.0 79.8 20.4
C132CA-HA-HA 58.249 5.106 5.107 130368704
C132CA-HB2-HA 58.261 3.450 5.108 1.33e+09 ga 8683572 250.0 80.0 20.9
C132CA-HB3-HA 58.258 2.778 5.108 1.09e+09 ga 6277342 250.0 78.0 25.8
C132CB-HA-HB2 32.223 5.108 3.453 1.21e+09 ga 5017698 250.0 78.5 35.0
C132CB-HA-HB3 32.250 5.108 2.775 8.56e+08 ga 4468198 250.0 71.4 30.0
C132CB-HB2-HB3 32.217 3.452 2.770 4.53e+09 ga 24225870 250.0 69.0 30.0
C132CB-HB3-HB2 32.236 2.770 3.452 4.80e+09 ga 25195672 250.0 70.9 30.0
C132CB-H149HE1-C132HB2 32.207 8.060 3.450 2.22e+08 ga 1374600 250.0 80.0 22.8
C132CB-H149HE1-C132HB3 32.199 8.078 2.778 4.95e+08 ga 2543336 250.0 66.4 30.0
S133CA-K128HD*-S133HA 61.000 1.563 4.271 1153319
S133CA-K128HE*-S133HA 61.257 2.905 4.269 1487558
S133CA-K128HG*-S133HA 60.931 1.248 4.276 4994971
S133CA-HB3-HA 61.000 3.980 4.271 12474739
S133CB-HB2-HB3 62.133 4.258 3.977 24165912
S133CB-HB3-HB2 62.050 3.977 4.269 21590828
D134CA-HB2-HA 55.715 2.336 4.344 1.10e+09 ga 4749982 250.0 80.0 30.0
D134CA-HB3-HA 55.758 2.030 4.349 1.30e+09 ga 5914644 253.3 80.0 30.0
D134CA-F136HE*-D134HA 55.927 6.779 4.329 3.61e+08 ga 2228778 300.0 79.5 20.0
D134CA-F136HZ-D134HA 55.822 6.274 4.326 4.72e+08 ga 2631923 300.0 80.0 20.0
D134CB-HA-HB2 41.048 4.355 2.349 3.53e+08 ga 2195435 282.8 78.1 20.0
D134CB-HA-HB3 41.078 4.361 2.053 9.40e+08 ga 3198542 300.0 79.8 40.0
D134CB-HB2-HB3 41.109 2.330 2.023 2.32e+09 ga 17333570 250.0 73.1 20.0
D134CB-HB3-HB2 41.063 2.040 2.351 3.53e+09 ga 14465899 250.0 74.2 40.0
D134CB-F136HE*-D134HB3 41.045 6.816 2.051 3.03e+08 ga 1564460 250.0 80.0 27.5
D134CB-F136HZ-D134HB3 41.227 6.296 2.036 5.58e+08 ga 1817636 250.0 80.0 40.0
M135CA-K128HA-M135HA 53.727 4.916 5.088 8065899
M135CA-HB2-HA 53.841 1.715 5.092 1.41e+09 ga 7360648 250.0 79.5 27.3
M135CA-HG2-HA 53.562 2.278 5.096 4.73e+08 ga 2167144 250.0 80.0 27.5
M135CA-F136HD*-M135HA 53.812 7.137 5.093 5.98e+08 ga 2256302 300.0 80.0 34.2
M135CA-F136HE*-M135HA 54.003 6.809 5.075 3.06e+08 ga 2219227 250.0 80.0 19.3
M135CA-F136HZ-M135HA 53.660 6.299 5.080 2.52e+08 ga 1914515 250.0 63.9 20.0
M135CB-HA-HB2 35.851 5.088 1.739 6.09e+08 ga 2197220 250.0 80.0 30.0
M135CB-HA-HB3 36.232 5.072 1.676 7.22e+08 ga 3116370 250.0 80.0 30.0
M135CB-HG2-HB2 35.810 2.286 1.717 5.11e+08 ga 2097034 300.0 80.0 27.7
M135CB-HG3-HB2 36.016 2.419 1.720 4.55e+08 ga 1934336 250.0 80.0 30.0
M135CB-HG3-HB3 35.982 2.427 1.659 5.46e+08 ga 2489223 250.0 80.0 30.0
M135CG-HA-HG3 31.607 5.027 2.427 2.29e+08 ga 1600769 250.0 80.0 20.0
F136CA-HB2-HA 56.065 2.613 4.835 4728822
F136CA-HB3-HA 55.754 3.085 4.838 5247516
F136CA-HD*-HA 55.776 7.126 4.846 2883783
F136CA-P137HD*-F136HA 55.661 3.874 4.838 11084345
F136CB-HA-HB2 43.779 4.831 2.626 3.60e+08 ga 2352096 250.0 77.0 20.0
F136CB-HA-HB3 43.538 4.828 3.075 1.05e+09 ga 3614498 250.0 80.0 40.0
F136CB-HB2-HB3 43.607 2.634 3.081 3.66e+09 ga 18296664 250.0 71.3 32.4
F136CB-HB3-HB2 43.637 3.072 2.634 17832504
F136CB-HD*-HB2 43.630 7.140 2.638 1.07e+09 ga 4234557 250.0 79.5 40.0
F136CB-HD*-HB3 43.563 7.137 3.076 8.22e+08 ga 4545802 250.0 74.5 27.9
F136CB-P137HD*-F136HB2 43.795 3.856 2.630 3.12e+08 ga 1619468 250.0 80.0 27.1
F136CB-P137HD*-F136HB3 43.500 3.878 3.077 1.02e+09 ga 3981579 250.0 80.0 40.0
F136CB-L141HB2-F136HB2 43.609 1.882 2.639 2.56e+08 ga 1613189 250.0 80.0 20.0
F136CB-L141HB2-F136HB3 43.594 1.855 3.076 5.85e+08 ga 3869441 250.0 77.4 20.0
F136CD1-M135HA-F136HD* 129.305 5.087 7.135 3.13e+08 ga 1821869 300.0 80.0 20.0
F136CD1-HB2-HD* 129.446 2.643 7.143 2.38e+08 ga 1433409 300.0 73.6 20.0
F136CD1-HB3-HD* 129.370 3.060 7.141 3.35e+08 ga 1984373 300.0 79.4 20.0
F136CD1-HE*-HD* 129.442 6.817 7.140 4.97e+08 ga 3143178 250.0 80.0 20.0
F136CD1-P137HD*-F136HD* 129.571 3.897 7.148 2.34e+08 ga 1373289 300.0 76.9 20.0
F136CD1-L141HB2-F136HD* 129.622 1.851 7.141 2.27e+08 ga 1460774 300.0 80.0 19.7
F136CD1-L142HB2-F136HD* 129.952 1.279 7.145 3.34e+08 ga 1800752 300.0 80.0 19.9
F136CD1-L142HD1*-F136HD* 129.561 0.991 7.139 3.15e+08 ga 1949370 279.4 80.0 20.0
F136CE1-HD*-HE* 127.779 7.138 6.778 3.53e+08 ga 2429870 300.0 71.2 20.0
F136CE1-HZ-HE* 126.983 6.294 6.782 8.47e+08 ga 3987892 288.5 80.0 28.6
P137CA-HD*-HA 63.781 3.795 4.757 25944028
P137CB-HA-HB2 32.345 4.778 1.849 8.06e+08 ga 2235750 300.0 80.0 40.0
P137CB-HA-HB3 32.342 4.767 2.260 1.27e+09 ga 4480320 294.7 80.0 40.0
P137CD-F136HA-P137HD* 51.048 4.835 3.877 9333511
P137CD-F136HB2-P137HD* 51.155 2.636 3.869 4.81e+08 ga 2292772 250.0 80.0 30.0
P137CD-F136HB3-P137HD* 51.043 3.086 3.886 8.20e+08 ga 3866934 250.0 74.9 30.0
P137CD-HG2-HD* 51.050 2.165 3.867 1.28e+09 ga 5202710 250.0 80.0 30.0
P137CD-HG3-HD* 51.112 1.938 3.893 1.31e+09 ga 4280536 250.0 79.6 40.0
P137CD-L141HD1*-P137HD* 51.071 1.141 3.885 8.34e+08 ga 3336765 250.0 73.5 40.0
P137CG-HD*-HG2 27.051 3.874 2.165 1.22e+09 ga 6406243 250.0 80.0 28.4
P137CG-HD*-HG3 26.967 3.869 1.940 5.85e+08 ga 2756974 250.0 80.0 30.0
P137CG-HG2-HG3 27.151 2.180 1.945 14928073
P137CG-HG3-HG2 27.042 1.936 2.167 17043742
H138CB-F136HB2-H138HB2 34.500 2.574 2.794 2.21e+08 ga 1417646 250.0 80.0 20.0
H138CB-HA-HB2 34.618 4.794 2.815 8.55e+08 ga 2458254 300.0 80.0 40.0
H138CB-HA-HB3 34.800 4.780 3.158 8.13e+08 ga 3679041 300.0 80.0 27.6
H138CB-HB2-HB3 34.774 2.806 3.165 5.27e+09 ga 18652420 295.6 74.7 39.1
H138CB-HB3-HB2 34.787 3.154 2.801 4.61e+09 ga 17682966 284.5 71.4 38.8
H138CB-HD2-HB2 34.879 7.067 2.815 4.02e+08 ga 1671426 297.9 80.0 30.0
H138CB-HD2-HB3 34.453 7.089 3.173 1.65e+08 ga 1165671 300.0 80.0 17.6
H138CB-A140HB*-H138HB3 34.853 1.404 3.150 3.46e+08 ga 1406577 300.0 80.0 30.0
H138CB-L141HB2-H138HB2 34.724 1.860 2.820 2.25e+08 ga 1736872 289.3 79.5 17.7
H138CB-L141HB2-H138HB3 34.538 1.843 3.179 2.84e+08 ga 1542757 250.0 80.0 27.0
H138CB-L141HD1*-H138HB2 34.579 1.151 2.790 3.58e+08 ga 1897977 300.0 80.0 20.0
H138CB-L141HG-H138HB2 34.576 1.704 2.815 4.03e+08 ga 2052368 300.0 80.0 20.0
H138CB-L141HG-H138HB3 35.041 1.707 3.177 2.93e+08 ga 1671891 300.0 80.0 20.0
L139CA-F127HD*-L139HA 57.864 7.109 3.180 2.44e+08 ga 1246889 298.1 80.0 20.0
L139CA-HB2-HA 57.690 1.301 3.197 7.99e+08 ga 2879224 280.9 80.0 30.0
L139CA-HB3-HA 57.828 0.863 3.190 7.83e+08 ga 3765860 250.0 80.0 20.0
L139CA-HD*-HA 57.796 0.764 3.191 1.05e+09 ga 5979971 250.0 80.0 20.0
L139CA-L142HB3-L139HA 57.739 1.968 3.184 6.71e+08 ga 5207420 250.0 67.0 20.0
L139CB-HA-HB2 41.661 3.201 1.338 3.28e+08 ga 2197560 250.0 79.3 20.0
L139CB-HA-HB3 41.424 3.192 0.866 5.02e+08 ga 3530693 250.0 69.6 20.0
L139CB-HB2-HB3 41.448 1.322 0.858 2.30e+09 ga 14763984 250.0 73.4 20.0
L139CB-HB3-HB2 41.439 0.864 1.328 2.61e+09 ga 15965291 250.0 80.0 20.0
L139CB-HD1*-HB2 41.471 0.735 1.322 1.06e+09 ga 4581840 250.0 80.0 20.0
L139CB-HD1*-HB3 41.463 0.734 0.857 3.43e+08 ga 4863976 157.0 30.0 16.6
L139CB-HG-HB2 41.433 1.171 1.327 9.56e+08 ga 5053961 250.0 60.0 34.9
L139CB-HG-HB3 41.594 1.174 0.852 6.43e+08 ga 2879919 234.0 60.0 39.0
L139CG-HD*-HG 26.568 0.746 1.179 5146686
L141CA-HB2-HA 56.797 1.857 4.067 7.52e+08 ga 4483118 253.7 60.0 20.0
L141CA-HB3-HA 56.616 1.628 4.074 7.81e+08 ga 4968418 276.8 60.0 20.0
L141CA-HD2*-HA 56.597 0.927 4.068 9.70e+08 ga 7013056 274.7 60.0 20.0
L141CB-F136HB2-L141HB2 41.862 2.601 1.835 1.98e+08 ga 1609040 300.0 60.0 20.0
L141CB-F136HB3-L141HB2 42.035 3.076 1.849 3.10e+08 ga 2207477 270.4 60.0 20.0
L141CB-F136HB3-L141HB3 42.227 3.084 1.628 4.71e+08 ga 1466342 300.0 60.0 40.0
L141CB-F136HD*-L141HB2 42.220 7.147 1.862 1.88e+08 ga 1193817 300.0 60.0 20.0
L141CB-F136HD*-L141HB3 42.079 7.147 1.626 3.17e+08 ga 2304251 293.0 60.0 20.0
L141CB-HA-HB2 42.016 4.062 1.863 4.40e+08 ga 2184017 300.0 60.0 30.0
L141CB-HA-HB3 42.001 4.073 1.627 8.01e+08 ga 3103401 299.1 60.0 40.0
L141CB-HB2-HB3 42.006 1.855 1.617 14755235
L141CB-HB3-HB2 42.009 1.620 1.860 16637797
L141CB-HD1*-HB2 41.965 1.125 1.854 5.23e+08 ga 2953269 299.6 60.0 29.1
L141CB-HD2*-HB3 42.086 0.919 1.610 6.60e+08 ga 2930588 300.0 60.0 30.5
L141CD1-P137HD*-L141HD1* 26.308 3.880 1.140 5.34e+08 ga 4648366 268.7 60.0 19.8
L141CD1-HB2-HD1* 26.315 1.875 1.137 11769072
L141CG-HD2*-HG 27.243 0.937 1.719 6.56e+08 ga 3586103 300.0 60.0 28.2
L142CA-F136HD*-L142HA 57.561 7.128 3.236 2.73e+08 ga 1898781 300.0 60.0 20.0
L142CA-F136HE*-L142HA 57.376 6.824 3.257 1.41e+08 ga 1116504 299.7 60.0 20.0
L142CA-HB2-HA 57.676 1.274 3.249 1.00e+09 ga 4095928 258.1 60.0 40.0
L142CA-HB3-HA 57.741 1.981 3.240 2.84e+08 ga 2092220 274.1 60.0 20.0
L142CA-HD*-HA 57.707 0.981 3.243 1.39e+09 ga 5873384 269.6 60.0 39.5
L142CA-H145HB2-L142HA 57.683 2.698 3.219 5.41e+08 ga 2259318 263.6 60.0 40.0
L142CA-H145HB3-L142HA 57.807 3.032 3.239 1.10e+09 ga 6240548 289.1 60.0 31.4
L142CB-F127HB2-L142HB2 40.213 2.835 1.281 2.01e+08 ga 1478475 291.1 60.0 21.5
L142CB-F127HB3-L142HB2 40.329 3.028 1.277 3.59e+08 ga 2074444 299.9 60.0 27.4
L142CB-F136HB2-L142HB2 39.943 2.625 1.258 4.25e+08 ga 1489578 300.0 60.0 40.0
L142CB-F136HD*-L142HB2 39.764 7.122 1.282 4.11e+08 ga 1705308 300.0 60.0 39.2
L142CB-HA-HB2 40.121 3.222 1.278 8.73e+08 ga 3531071 270.0 60.0 40.0
L142CB-HA-HB3 40.213 3.197 1.978 8.68e+08 ga 3600970 250.0 60.0 40.0
L142CB-HB2-HB3 40.125 1.273 1.974 3.57e+09 ga 16045234 277.4 60.0 38.2
L142CB-HB3-HB2 40.135 1.974 1.275 3.44e+09 ga 15701674 277.9 60.0 37.1
L142CB-HD2*-HB2 40.160 0.991 1.278 1.08e+09 ga 4759650 270.0 60.0 40.0
L142CB-HD2*-HB3 40.091 0.993 1.977 8.82e+08 ga 4342977 300.0 60.0 33.5
L142CB-HG-HB2 40.144 1.499 1.272 1.33e+09 ga 6083972 270.0 60.0 38.1
L142CB-HG-HB3 40.091 1.500 1.981 1.09e+09 ga 4799548 270.0 60.0 40.0
L142CD1-C129HA-L142HD1* 22.721 4.345 0.978 5871374
L142CD1-HA-HD1* 22.812 3.216 0.975 7.16e+08 ga 7877252 234.6 60.0 17.6
L142CD2-F127HB3-L142HD2* 26.478 3.048 0.986 1.09e+09 ga 8205180 270.0 60.0 23.8
L142CD2-HA-HD2* 26.504 3.195 0.985 3.71e+08 ga 4549663 224.4 60.0 15.5
L142CG-F127HB3-L142HG 27.549 2.988 1.502 3.77e+08 ga 1542346 270.0 59.9 39.9
L142CG-HB2-HG 27.821 1.293 1.506 4400256
L142CG-HB3-HG 27.540 1.979 1.504 6229432
L142CG-HD2*-HG 27.571 0.990 1.505 6961026
N143CB-L139HD1*-N143HB* 37.114 0.736 2.674 9.09e+07 ga 1677240 204.2 60.0 12.0
N143CB-HA-HB* 37.034 4.299 2.656 1.14e+09 ga 6962663 261.6 60.0 31.4
N143CB-A144HA-N143HB* 36.990 4.028 2.660 8.37e+08 ga 4907594 270.0 60.0 31.5
A144CA-N143HB*-A144HA 55.179 2.649 4.024 9.33e+08 ga 5297012 270.0 60.0 31.9
A144CA-HB*-HA 54.955 1.379 4.034 3.90e+09 ga 16350684 270.0 60.0 39.4
A144CA-R147HG3-A144HA 54.747 1.765 4.041 4.71e+08 ga 2649819 267.4 60.0 31.7
A144CB-HA-HB* 17.942 4.040 1.379 4.07e+09 ga 28240792 260.1 60.0 25.3
H145CA-HB2-HA 58.875 2.693 4.115 1.85e+09 ga 9026799 270.0 60.0 33.7
H145CB-L142HA-H145HB2 28.183 3.235 2.699 4.00e+08 ga 1464515 300.0 60.0 40.0
H145CB-L142HA-H145HB3 28.192 3.251 3.038 4728894
H145CB-HA-HB2 28.140 4.108 2.706 1.17e+09 ga 5331276 297.1 60.0 35.1
H145CB-HA-HB3 27.905 4.103 3.049 5.41e+08 ga 2830251 300.0 60.0 27.4
H145CB-HB2-HB3 28.118 2.701 3.042 3.73e+09 ga 15373885 279.6 60.0 40.0
H145CB-HB3-HB2 28.117 3.036 2.695 3.84e+09 ga 16834216 281.7 60.0 37.9
H145CB-HD2-HB2 28.196 6.798 2.703 2.20e+08 ga 1411628 283.1 60.0 26.3
H145CB-HD2-HB3 28.267 6.843 3.035 3.33e+08 ga 1562490 263.1 60.0 40.0
H145CD2-C129HB2-H145HD2 123.805 2.770 6.844 1.24e+08 ga 1160740 250.0 60.0 20.0
H145CD2-L142HD1*-H145HD2 123.755 0.983 6.866 2.32e+08 ga 1368309 250.0 60.0 30.0
H145CD2-K146HA-H145HD2 123.753 3.670 6.843 2.32e+08 ga 1520191 300.0 60.0 20.0
H145CD2-H149HD2-H145HD2 123.976 6.626 6.844 2.36e+08 ga 1836396 300.0 60.0 20.0
K146CA-H145HD2-K146HA 60.262 6.861 3.676 4.05e+08 ga 2924052 300.0 60.0 20.0
K146CA-HB*-HA 60.101 1.957 3.677 1.30e+09 ga 7652262 300.0 60.0 25.3
K146CA-H149HD2-K146HA 60.141 6.632 3.681 1.05e+09 ga 4796999 300.0 60.0 34.7
K146CE-HB2-HE2 41.448 1.924 3.170 6.32e+08 ga 2280148 300.0 60.0 20.0
K146CE-HB2-HE3 41.485 1.923 3.057 5.02e+08 ga 3351716 285.0 60.0 20.0
K146CE-HE2-HE3 41.436 3.169 3.064 45608780
K146CE-HE3-HE2 41.261 3.034 3.167 30810892
K146CG-HA-HG3 26.532 3.658 1.831 2.43e+08 ga 1724584 285.0 60.0 20.0
K146CG-HE*-HG3 26.495 3.089 1.816 6.00e+07 ga 1190281 109.7 56.4 20.0
R147CG-HA-HG2 27.289 4.098 1.648 5.56e+08 ga 1873683 300.0 60.0 40.0
R147CG-HA-HG3 27.213 4.079 1.746 7.06e+08 ga 2388192 300.0 60.0 40.0
R147CG-HD*-HG2 27.248 3.159 1.656 3067559
R147CG-HD*-HG3 27.252 3.176 1.765 2594045
R147CG-HG2-HG3 27.212 1.651 1.751 32115740
R147CG-HG3-HG2 27.212 1.763 1.638 31649472
H149CB-V131HG1*-H149HB3 28.509 0.738 3.290 2.37e+08 ga 1393284 251.9 60.0 34.9
H149CB-V131HG2*-H149HB3 29.017 0.310 3.280 1.75e+08 ga 1319546 300.0 60.0 21.3
H149CB-HA-HB3 28.657 4.849 3.294 1.19e+09 ga 4402958 300.0 60.0 40.0
H149CB-HD2-HB2 28.498 6.643 3.252 5.85e+08 ga 1803799 296.8 60.0 40.0
H149CB-HD2-HB3 28.463 6.621 3.294 6.65e+08 ga 2204312 300.0 60.0 40.0
H149CB-T150HG2*-H149HB2 28.561 1.168 3.268 1.39e+08 ga 1103388 296.0 60.0 20.7
H149CD2-V131HB-H149HD2 124.194 1.274 6.642 8.66e+07 ga 1234740 239.1 60.0 13.9
H149CD2-V131HG1*-H149HD2 124.040 0.731 6.641 1.61e+08 ga 1246178 300.0 60.0 20.3
H149CD2-H145HD2-H149HD2 124.088 6.845 6.633 2.85e+08 ga 1981493 300.0 60.0 21.9
H149CD2-K146HA-H149HD2 124.571 3.677 6.631 5.90e+08 ga 2377682 300.0 60.0 40.0
H149CD2-K146HG3-H149HD2 47.352 1.816 6.638 3.21e+08 ga 1305789 300.0 60.0 40.0
H149CD2-HB2-HD2 124.665 3.259 6.616 4.85e+08 ga 1596197 300.0 60.0 40.0
T150CB-HG2*-HB 69.780 1.173 4.243 1.19e+09 ga 5317529 300.0 60.0 40.0
T150CG2-HB-HG2* 21.526 4.235 1.160 2.17e+09 ga 7350386 290.7 60.0 40.0
E153CA-HB3-HA 57.975 1.858 4.091 1.84e+09 ga 8644779 300.0 60.0 33.7
E153CG-HB2-HG* 36.567 2.019 2.160 12498025
;
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 . . 12.0227 ppm . . . 4.699 . . 34600 1
2 . . C 13 C . . 80 ppm . . . 45.00 . . 34600 1
3 . . H 1 H . . 12 ppm . . . 4.699 . . 34600 1
stop_
save_