######################### # Spectral peak lists # ######################### 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_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 34600 _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 1H-15N 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 'noesyhsqcetgp3d; Bruker Biospin - collection' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Volume Data Height L91N-P90HA-L91H 122.329 4.384 8.326 8.55e+07 ga 2518192 L91N-HA-H 122.223 4.230 8.322 1.01e+08 ga 1424826 N92N-L91HA-N92H 119.259 4.248 8.409 4.45e+08 ga 2003825 N92N-HA-H 119.298 4.635 8.405 9.23e+07 ga 1988742 Q93N-HA-H 120.885 4.291 8.369 1.49e+07 ga 1159153 G94N-Q93HA-G94H 109.834 4.286 8.395 7.84e+07 ga 1767026 G94N-HA*-H 109.669 3.888 8.398 6.88e+07 ga 1979152 A95N-G94HA*-A95H 123.864 3.882 8.040 1.49e+08 ga 2218812 A95N-HB*-H 123.938 1.319 8.044 1.07e+08 ga 1141352 A96N-A95HA-A96H 122.978 4.241 8.181 3.14e+08 ga 2581495 A96N-A95HB*-A96H 122.997 1.332 8.180 7.49e+07 ga 2108397 L97N-A96HB*-L97H 120.957 1.336 8.092 3.67e+07 ga 1194875 L97N-HA-H 121.138 4.257 8.087 1.03e+08 ga 1860567 L97N-HB3-H 120.957 1.606 8.088 2.07e+08 ga 3161092 L97N-HD2*-H 121.102 0.859 8.099 7.95e+07 ga 1844823 G98N-L97HA-G98H 109.263 4.291 8.245 7.74e+07 ga 1813467 G98N-HA*-H 109.238 3.852 8.247 1.11e+08 ga 2315334 I99N-G98HA*-I99H 119.728 3.916 7.888 1.67e+08 ga 1945289 I99N-HB-H 119.873 1.776 7.898 5.70e+07 ga 1080963 A100N-I99HA-A100H 128.067 4.155 8.351 2.44e+08 ga 4020643 A100N-HB*-H 128.635 1.310 8.357 4.95e+08 ga 3783497 T101N-A100HA-T101H 114.696 4.469 8.214 2.94e+08 ga 2798843 V102N-T101HA-V102H 121.138 4.350 8.101 1.01e+08 ga 4079649 V102N-HB-H 121.126 1.967 8.099 1.64e+08 ga 2098678 D103N-V102HA-D103H 124.336 4.334 8.400 2.63e+08 ga 5024290 D103N-V102HG-D103H 124.369 0.848 8.403 7.13e+07 ga 1629579 D103N-HB2-H 124.261 2.648 8.402 7.26e+07 ga 1434166 A104N-D103HA-A104H 122.766 4.575 8.265 1.15e+08 ga 2893379 A104N-D103HB3-A104H 122.832 2.863 8.265 1.77e+08 ga 2821968 A104N-HA-H 122.760 4.134 8.263 6.33e+07 ga 1778960 A104N-HB*-H 122.818 1.377 8.267 3.26e+07 ga 2845567 Q105N-HB*-H 116.986 2.164 8.209 8.34e+07 ga 1558158 Q105N-HG2-H 117.156 2.320 8.205 6.58e+07 ga 1459963 Q105N-HG3-H 117.158 2.012 8.210 1.09e+08 ga 2013632 G106N-HA*-H 109.035 3.904 8.233 1.16e+08 ga 3405298 R107N-HB*-H 121.130 1.784 8.194 4.63e+08 ga 3164802 R107N-HG*-H 121.098 1.573 8.204 7.23e+07 ga 1216077 I108N-R107HA-I108H 122.573 4.302 8.188 1.37e+08 ga 5529106 I108N-HB-H 122.568 1.757 8.188 2.49e+08 ga 3667157 I108N-HG12-H 122.573 1.481 8.184 6.46e+07 ga 1162606 Q109N-I108HA-Q109H 125.602 4.163 8.469 3.38e+08 ga 4954223 Q109N-HA-H 125.474 4.354 8.466 1.07e+08 ga 1739112 I110N-Q109HA-I110H 123.661 4.375 8.276 3.12e+08 ga 5439500 I110N-HB-H 123.694 1.771 8.278 1.48e+08 ga 2491680 V111N-I110HA-V111H 124.916 4.171 8.268 3.07e+08 ga 5855037 N112N-V111HA-N112H 122.709 4.069 8.505 2.32e+08 ga 2740539 N112N-HB3-H 122.812 2.693 8.507 6.07e+07 ga 1519023 K115N-N114HA-K115H 122.613 4.618 8.097 1.45e+08 ga 2395730 K115N-HB3-H 122.593 1.634 8.087 6.36e+07 ga 1162646 A118N-I117HA-A118H 128.463 4.060 8.309 1.80e+08 ga 3598456 A118N-HA-H 128.535 4.273 8.311 3.89e+06 ga 3787156 A119N-A118HA-A119H 123.696 4.258 8.268 1.30e+08 ga 2716808 A119N-HB*-H 123.644 1.349 8.266 1.12e+08 ga 2082554 T121N-HG2*-H 114.365 1.158 8.024 3.55e+07 ga 1181167 I122N-T121HA-I122H 123.051 4.296 8.117 1.17e+08 ga 2461780 N124N-HB*-H 121.084 2.715 8.358 7.76e+07 ga 1468657 I125N-N124HA-I125H 120.472 4.676 7.934 1.42e+08 ga 2963911 I125N-HA-H 120.465 4.111 7.929 3.48e+07 ga 1183969 S126N-I125HA-S126H 118.266 4.076 7.699 4.20e+08 ga 5399870 F127N-S126HA-F127H 121.574 4.438 8.770 3.20e+08 ga 5511862 F127N-S126HB*-F127H 121.605 3.492 8.776 4.17e+07 ga 1053984 F127N-HA-H 121.525 4.574 8.766 5.86e+07 ga 1295888 F127N-HB2-H 121.601 2.824 8.769 1.16e+08 ga 1816879 F127N-HB3-H 121.676 2.978 8.781 2.32e+07 ga 1051146 K128N-F127HA-K128H 125.347 4.585 8.645 3.25e+08 ga 4522450 K128N-HA-H 125.323 4.899 8.646 5.81e+07 ga 1260669 K128N-HB2-H 125.338 1.749 8.639 2.24e+08 ga 1839707 K128N-HB3-H 125.478 1.529 8.641 8.65e+07 ga 1801592 C129N-K128HA-C129H 128.265 4.905 9.118 3.44e+08 ga 7679451 C129N-K128HB3-C129H 128.213 1.509 9.115 -1.85e+08 ga 893096 C129N-K128HG*-C129H 128.295 1.244 9.115 1.00e+08 ga 1960461 C129N-HA-H 128.210 4.364 9.111 6.00e+07 ga 1231049 C129N-HB2-H 128.264 2.752 9.117 1.30e+08 ga 3276289 C129N-HB3-H 128.279 3.343 9.115 1.98e+08 ga 3879950 C129N-M135HB2-C129H 128.280 1.710 9.122 6.21e+07 ga 1176634 C129N-M135HB3-C129H 128.348 1.624 9.109 3.70e+07 ga 1197725 C129N-L142HD*-C129H 128.234 0.971 9.116 2.58e+07 ga 1006944 D130N-C129HA-D130H 129.012 4.340 8.980 1.84e+08 ga 5123478 D130N-HB*-H 129.084 2.729 8.980 4.93e+07 ga 2674234 D130N-V131H-D130H 129.105 9.153 8.980 1.26e+09 ga 1141384 V131N-D130H-V131H 123.310 9.020 9.114 3.84e+07 ga 1926507 V131N-D130HB*-V131H 123.300 2.725 9.112 8.20e+07 ga 1384204 V131N-HA-H 123.337 3.858 9.120 7.82e+07 ga 1467210 V131N-HB-H 123.384 1.241 9.117 1.41e+08 ga 2545944 V131N-HG1*-H 123.375 0.712 9.117 8.95e+07 ga 1873524 V131N-C132H-V131H 123.395 8.216 9.118 1.08e+08 ga 2187315 V131N-D134H-V131H 123.542 8.363 9.121 1.91e+07 ga 867815 C132N-V131H-C132H 118.732 9.121 8.206 1.13e+08 ga 2981930 C132N-V131HB-C132H 118.753 1.269 8.216 1.33e+08 ga 2675027 C132N-HA-H 118.654 5.106 8.208 8.53e+07 ga 1571880 C132N-HB2-H 118.583 3.346 8.211 6.05e+07 ga 1452532 C132N-HB3-H 118.688 2.744 8.212 7.66e+07 ga 1591274 C132N-S133H-C132H 118.708 7.890 8.212 1.30e+08 ga 2354572 C132N-D134HB2-C132H 118.756 2.358 8.213 2.65e+07 ga 845938 S133N-D130HA-S133H 113.560 4.437 7.902 5.60e+07 ga 1046084 S133N-V131H-S133H 113.514 9.101 7.903 1.15e+08 ga 1520082 S133N-C132H-S133H 113.489 8.212 7.900 1.39e+08 ga 2858660 S133N-C132HA-S133H 113.458 5.103 7.899 7.29e+07 ga 1954399 S133N-C132HB2-S133H 113.425 3.455 7.898 9.83e+07 ga 1685964 S133N-HA-H 113.441 4.268 7.899 4.06e+08 ga 7430114 S133N-D134H-S133H 113.422 8.359 7.897 9.60e+07 ga 1727653 D134N-C129HB3-D134H 124.468 3.358 8.351 1.70e+08 ga 1948536 D134N-S133H-D134H 124.521 7.912 8.351 9.03e+07 ga 1756174 D134N-HA-H 124.437 4.321 8.349 1.04e+08 ga 2163914 D134N-HB2-H 124.482 2.314 8.347 2.21e+08 ga 4187526 D134N-HB3-H 124.571 2.047 8.347 6.42e+07 ga 1239913 D134N-M135H-D134H 124.471 7.784 8.344 2.44e+07 ga 960795 M135N-D134HA-M135H 116.723 4.333 7.749 3.26e+08 ga 5724280 M135N-HB3-H 116.678 1.660 7.747 1.42e+08 ga 2777676 F136N-M135HA-F136H 117.368 5.071 8.720 4.22e+08 ga 4393324 F136N-M135HB2-F136H 117.335 1.703 8.728 7.66e+07 ga 1363612 F136N-HA-H 117.300 4.811 8.713 7.65e+07 ga 1507824 F136N-HD*-H 117.532 7.151 8.700 8.66e+07 ga 1969206 H138N-F136HB2-H138H 111.751 2.607 6.620 9.29e+07 ga 1637322 H138N-F136HB3-H138H 111.628 3.086 6.619 8.38e+07 ga 1578646 H138N-P137HD*-H138H 111.535 3.872 6.621 6.00e+07 ga 1240467 H138N-HB2-H 111.714 2.799 6.620 8.75e+07 ga 1524082 H138N-L141HB2-H138H 111.593 1.850 6.623 1.03e+08 ga 1749388 L139N-H138HA-L139H 128.637 4.747 8.359 2.90e+08 ga 3910892 L139N-H138HB2-L139H 128.714 2.794 8.353 5.79e+07 ga 2170756 L139N-H138HB3-L139H 128.724 3.160 8.360 2.60e+08 ga 2290733 L139N-HB2-H 128.635 1.298 8.353 4.12e+05 ga 3199648 L139N-HB3-H 128.661 0.852 8.358 1.72e+08 ga 3491817 L139N-A140H-L139H 128.721 9.425 8.348 7.40e+07 ga 1106879 A140N-H138HB3-A140H 120.256 3.172 9.435 2.63e+07 ga 839442 A140N-HA-H 120.335 4.727 9.442 1.69e+08 ga 2445424 A140N-HB*-H 120.286 1.369 9.434 1.30e+08 ga 2462767 A140N-L141H-A140H 120.233 6.823 9.429 3.29e+07 ga 1148914 L141N-H138HB2-L141H 115.747 2.798 6.814 7.73e+07 ga 1459225 L141N-H138HB3-L141H 115.874 3.197 6.825 8.56e+07 ga 1602091 L141N-A140HB*-L141H 115.825 1.369 6.811 7.54e+07 ga 1827130 L141N-HA-H 115.839 4.062 6.814 1.19e+08 ga 2370959 L141N-HB2-H 115.823 1.838 6.808 1.75e+08 ga 3170807 L141N-HB3-H 115.830 1.623 6.813 7.96e+07 ga 1355873 L141N-HG-H 115.810 1.705 6.815 1.13e+08 ga 2045596 L141N-L142H-L141H 115.848 7.036 6.814 1.53e+08 ga 2916780 L142N-L141H-L142H 122.178 6.818 7.038 1.22e+08 ga 2663233 L142N-L141HB2-L142H 122.116 1.827 7.045 8.55e+07 ga 1545609 L142N-HA-H 122.136 3.212 7.037 9.41e+07 ga 2476824 L142N-HB2-H 122.110 1.252 7.036 9.81e+07 ga 2006789 L142N-HB3-H 122.118 1.962 7.040 1.60e+08 ga 3708254 L142N-HD*-H 122.183 0.972 7.043 8.33e+07 ga 1627691 L142N-N143H-L142H 122.126 8.540 7.037 8.95e+07 ga 2533973 N143N-L139HD*-N143H 117.751 0.714 8.535 4.20e+07 ga 1115107 N143N-L142H-N143H 117.788 7.040 8.540 1.29e+08 ga 3038752 N143N-L142HB2-N143H 117.921 1.303 8.527 1.41e+08 ga 1296753 N143N-L142HB3-N143H 117.815 1.948 8.540 1.92e+08 ga 3122500 N143N-L142HD1*-N143H 117.739 0.991 8.534 7.18e+07 ga 1137118 N143N-L142HG-N143H 118.005 1.525 8.544 8.71e+07 ga 1342105 N143N-HA-H 117.913 4.292 8.537 1.33e+08 ga 2247789 N143N-HB*-H 117.869 2.643 8.538 2.92e+08 ga 5462348 N143N-A144H-N143H 117.851 7.442 8.539 1.28e+08 ga 2637965 N143N-A144HA-N143H 117.907 4.007 8.540 5.48e+07 ga 1488925 A144N-N143H-A144H 121.579 8.548 7.459 7.63e+07 ga 1955634 A144N-N143HA-A144H 121.421 4.294 7.448 6.59e+07 ga 1529754 A144N-N143HB*-A144H 121.630 2.648 7.459 7.63e+07 ga 1744018 A144N-HA-H 121.572 4.035 7.459 2.42e+08 ga 4311698 A144N-HB*-H 121.576 1.373 7.457 3.33e+08 ga 7491938 H145N-A144H-H145H 118.958 7.698 7.455 8.63e+07 ga 1958834 H145N-A144HB*-H145H 118.829 1.374 7.444 1.51e+08 ga 3196911 H145N-HA-H 118.921 4.098 7.442 1.58e+08 ga 2079814 H145N-HB2-H 118.838 2.683 7.446 1.90e+08 ga 3332935 H145N-HB3-H 118.857 3.019 7.446 4.31e+08 ga 4771906 H145N-K146H-H145H 118.983 8.426 7.448 1.21e+08 ga 1689683 H145N-R147H-H145H 119.105 7.082 7.443 8.46e+07 ga 984111 K146N-L142HD1*-K146H 117.221 0.976 8.428 6.38e+07 ga 1643619 K146N-H145H-K146H 117.170 7.453 8.418 1.30e+08 ga 1704273 K146N-H145HB3-K146H 117.204 3.017 8.427 1.32e+08 ga 1785479 K146N-HA-H 117.135 3.672 8.428 8.72e+07 ga 1666026 K146N-HB2-H 117.152 1.931 8.427 1.31e+08 ga 5081968 K146N-HG3-H 117.175 1.811 8.428 1.04e+08 ga 1477650 K146N-R147H-K146H 117.223 7.109 8.427 1.06e+08 ga 1732423 R147N-K146H-R147H 117.606 8.403 7.088 7.72e+07 ga 1060548 R147N-K146HA-R147H 117.477 3.639 7.094 7.49e+07 ga 1202156 R147N-K146HB2-R147H 117.571 1.903 7.089 8.74e+07 ga 1365924 R147N-HA-H 117.612 4.083 7.091 9.81e+07 ga 2337611 R147N-HB2-H 117.636 1.761 7.093 2.53e+08 ga 3951487 R147N-HG*-H 117.548 1.617 7.092 9.74e+07 ga 1365695 R147N-M148H-R147H 117.645 7.717 7.096 9.66e+07 ga 1593888 M148N-R147H-M148H 116.136 7.101 7.720 8.51e+07 ga 1276313 M148N-HA-H 116.190 4.153 7.718 1.35e+08 ga 2065837 M148N-HB*-H 116.087 1.762 7.720 3.10e+08 ga 4058824 M148N-H149H-M148H 116.168 7.273 7.718 1.16e+08 ga 1851458 H149N-K146HA-H149H 116.251 3.682 7.267 8.59e+07 ga 1265510 H149N-M148H-H149H 116.003 7.730 7.288 1.01e+08 ga 1511651 H149N-HB2-H 116.019 3.255 7.284 1.28e+08 ga 2179256 H149N-HD2-H 116.219 6.662 7.281 4.55e+07 ga 1098963 T150N-H149H-T150H 112.746 7.291 7.776 7.64e+07 ga 1695455 D151N-T150HA-D151H 122.444 4.370 8.376 9.02e+07 ga 3192436 D151N-HA-H 122.461 4.623 8.375 9.10e+07 ga 2036226 D151N-HB*-H 122.392 2.635 8.377 9.19e+07 ga 1900135 D151N-G152H-D151H 122.593 8.175 8.376 1880312 G152N-D151H-G152H 109.160 8.382 8.177 7.28e+07 ga 1505900 ; 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 HN . . 12.0227 ppm . . . 4.697 . . 34600 2 2 . . N 15 N . . 27 ppm . . . 120.500 . . 34600 2 3 . . H 1 H . . 12 ppm . . . 4.697 . . 34600 2 stop_ save_