Content for NMR-STAR saveframe, "spectral_peak_list_2"
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 30093
_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 .
_Spectral_peak_list.Chem_shift_reference_label .
_Spectral_peak_list.Experiment_ID 16
_Spectral_peak_list.Experiment_name '3D 15N edited 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 .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details
;
Residue numbering for CikA is offset by 612.
For example, residues 613 to 729 in CikA is residue 1 to 117 in this peak list.
;
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Peak Pick Table, File: n15noesy_v8.PCK
#
# Input Parameters:
DATA DIMCOUNT 3
DATA X_AXIS 1024 4807.69 601.13 7534.430 PPM 0.00
DATA Y_AXIS 256 5590.54 601.13 5456.492 PPM 0.00
DATA Z_AXIS 128 1583.90 60.92 8099.846 PPM 0.00
#
FORMAT %4d %4d %9.4f %9.4f %9.4f %+8.2e %10s
VARS PkID Sl.Z X Y Z Intensity Assign
792 3 7.9022 3.5339 132.5929 +1.52e+07 G108.N,HN; G108.HA2
799 3 7.9043 2.8870 132.5826 +7.25e+06 G108.N,HN; R90.HD2
794 3 7.9041 4.2131 132.5735 +1.43e+07 G108.N,HN; M107.HA
793 3 7.9101 4.0138 132.5461 +1.81e+07 G108.N,HN; G108.HA1
800 3 7.9017 2.6196 132.5456 +6.14e+06 G108.N,HN; Q104.HG1
789 3 7.9059 2.0393 132.5433 +1.05e+07 G108.N,HN; M107.HB2
795 3 7.9159 0.7770 132.5349 +4.59e+06 G108.N,HN; L109.HD2#
178 6 10.0640 0.8699 131.9529 +1.31e+07 W30.N,HN; I29.HG2#
181 6 10.0574 5.1372 131.9386 +1.01e+07 W30.N,HN; I29.HA
151 8 7.7732 4.1482 131.6271 +2.09e+07 G25.N,HN; G25.HA1
148 8 7.7655 1.6915 131.6152 +1.93e+07 G25.N,HN; A24.HB#
152 8 7.7647 4.4017 131.6054 +1.13e+07 G25.N,HN; A24.HA
150 8 7.7682 3.5458 131.5948 +1.77e+07 G25.N,HN; G25.HA2
154 8 7.7664 4.6677 131.5859 +8.69e+06 G25.N,HN; T22.HA
848 9 9.1729 0.2625 131.3809 +5.13e+06 L6.N,HN; L6.HD1#
37 9 9.1619 5.4014 131.3279 +1.64e+07 L6.N,HN; V5.HA
34 9 9.1647 0.9726 131.3189 +3.96e+07 L6.N,HN; V5.HG2#
33 9 9.1636 0.7338 131.3026 +1.38e+07 L6.N,HN; L6.HD2#
35 9 9.1651 1.6295 131.2809 +9.93e+06 L6.N,HN; L6.HB1
36 9 9.1596 1.7781 131.2671 +9.25e+06 L6.N,HN; L48.HB1
5 13 10.3556 3.3717 130.5777 +6.61e+06 W30.NE1,HE1; S8.HB2
4 13 10.3476 4.5312 130.5468 +6.94e+06 W30.NE1,HE1; V32.HA
3 13 10.3483 0.7273 130.5287 +2.72e+07 W30.NE1,HE1; V32.HG2#
64 13 9.0717 2.2367 130.5033 +6.69e+06 E11.N,HN; E11.HB1|HB2
845 13 10.3460 4.8939 130.4957 +5.31e+06 W30.NE1,HE1; E9.HA
65 14 9.0679 2.4993 130.3681 +6.38e+06 E11.N,HN; E11.HG1
579 16 8.7639 5.5240 129.9868 +7.28e+06 L79.N,HN; L79.HA
578 16 8.7522 5.3372 129.9504 +1.34e+07 L79.N,HN; A50.HA
917 16 8.7572 1.5823 129.9411 +2.13e+07 L79.N,HN; L79.HB1|HB2
572 16 8.7563 0.6704 129.9376 +1.19e+07 L79.N,HN; I78.HD1#
571 16 8.7542 0.8309 129.9349 +1.94e+07 L79.N,HN; L79.HD1#|HD2#
573 16 8.7600 1.1833 129.9327 +2.04e+07 L79.N,HN; I78.HG2#
576 16 8.7584 1.9815 129.9285 +4.91e+06 L79.N,HN; L49.HB1
577 16 8.7534 5.0413 129.9219 +2.06e+07 L79.N,HN; I78.HA
173 20 9.9658 5.0148 129.1533 +7.61e+06 V28.N,HN; Q27.HA
170 20 9.9611 0.9305 129.1481 +1.17e+07 V28.N,HN; V28.HG2#
862 20 9.9474 1.9825 129.1156 +6.16e+06 V28.N,HN; V28.HB
174 21 8.7348 0.9567 128.8782 +3.64e+07 I29.N,HN; V5.HG2#
177 21 8.7354 5.0680 128.8442 +2.11e+07 I29.N,HN; V28.HA
176 21 8.7352 5.4088 128.8133 +8.30e+06 I29.N,HN; V5.HA
214 22 8.4598 1.8780 128.7410 +1.07e+07 V36.N,HN; E35.HB2
213 22 8.4617 2.0410 128.7322 +4.69e+07 V36.N,HN; V36.HB
212 22 8.4617 0.9842 128.7206 +4.14e+07 V36.N,HN; V36.HG2#
211 22 8.4614 0.8480 128.7156 +2.84e+07 V36.N,HN; V36.HG1#
219 22 8.4622 4.3017 128.7150 +4.05e+07 V36.N,HN; E35.HA
216 22 8.4604 3.4831 128.7052 +1.51e+07 V36.N,HN; V36.HA
215 22 8.4631 2.2537 128.6920 +1.61e+07 V36.N,HN; E35.HG1
44 24 9.0433 1.9248 128.2433 +8.62e+06 V7.N,HN; V7.HB
40 24 9.0406 1.4758 128.2291 +8.28e+06 V7.N,HN; A50.HB#
38 24 9.0443 0.7050 128.1917 +3.77e+07 V7.N,HN; L6.HD2#
45 25 9.0394 5.1508 128.1783 +1.88e+07 V7.N,HN; L6.HA
43 25 9.0338 1.7697 128.1445 +5.23e+06 V7.N,HN; L48.HB1
39 25 9.0353 0.2457 128.1427 +6.04e+06 V7.N,HN; L6.HD1#
46 25 9.0371 4.8927 128.1240 +5.85e+06 V7.N,HN; L49.HA
42 25 9.0563 0.9903 128.1090 +5.69e+06 V7.N,HN; V5.HG1#
314 25 9.3604 1.5810 128.0843 +1.66e+07 L48.N,HN; L48.HG
313 25 9.3663 1.3923 128.0676 +9.77e+06 L48.N,HN; L48.HB2
310 25 9.3607 0.8180 128.0586 +4.23e+07 L48.N,HN; V47.HG2#
311 25 9.3598 0.7165 128.0519 +3.59e+07 L48.N,HN; L48.HD1#
315 25 9.3597 1.7747 128.0508 +1.49e+07 L48.N,HN; L48.HB1
316 25 9.3624 5.0414 128.0449 +3.19e+07 L48.N,HN; V47.HA
312 25 9.3565 0.9783 128.0429 +1.27e+07 L48.N,HN; V5.HG1#
395 26 8.1721 2.5870 127.8988 +7.55e+06 V58.N,HN; D57.HB2
396 26 8.1738 2.7780 127.8949 +8.46e+06 V58.N,HN; D57.HB1
397 26 8.1753 3.3151 127.8568 +2.09e+07 V58.N,HN; V58.HA
391 26 8.1771 -0.0884 127.8561 +2.69e+07 V58.N,HN; V58.HG1#
393 26 8.1765 1.1895 127.8513 +4.52e+07 V58.N,HN; V58.HB
392 26 8.1764 0.2390 127.8465 +4.89e+07 V58.N,HN; V58.HG2#
398 26 8.1764 4.6056 127.8373 +6.88e+07 V58.N,HN; D57.HA
703 28 8.7286 1.6537 127.4073 +9.68e+06 H97.N,HN; I96.HB
704 28 8.7348 3.2872 127.3876 +1.13e+07 H97.N,HN; H97.HB1
705 28 8.7356 3.1200 127.3826 +1.31e+07 H97.N,HN; H97.HB2
699 29 8.7338 0.4121 127.3691 +1.65e+07 H97.N,HN; I96.HG2#
706 29 8.7366 4.0497 127.3671 +3.22e+07 H97.N,HN; I96.HA
701 29 8.7339 1.0432 127.3597 +1.17e+07 H97.N,HN; I92.HG2#
698 29 8.7335 0.2211 127.2367 +9.37e+06 H97.N,HN; I96.HD1#
542 31 7.7742 4.9344 126.9079 +7.56e+06 K75.N,HN; K75.HA
913 31 7.7759 1.2823 126.8872 +7.64e+06 K75.N,HN; K75.HB2
545 31 7.7622 5.3793 126.8829 +8.06e+06 K75.N,HN; A46.HA
543 31 7.7597 4.4707 126.8740 +2.44e+07 K75.N,HN; L74.HA
538 31 7.7557 0.6629 126.8705 +2.56e+07 K75.N,HN; L74.HD1#
865 31 9.8545 1.7244 126.8679 +7.02e+06 L31.N,HN; L31.HB2
184 31 9.8595 4.7609 126.8671 +5.50e+06 L31.N,HN; L31.HA
541 31 7.7549 3.0969 126.8663 +5.15e+06 K75.N,HN; K75.HE1
182 31 9.8615 0.9792 126.8630 +7.97e+06 L31.N,HN; V5.HG1#
912 31 7.7621 1.5393 126.8594 +1.68e+07 K75.N,HN; K75.HG1|HG2
539 31 7.7583 1.0134 126.8561 +1.35e+07 K75.N,HN; A46.HB#
540 31 7.7600 1.7588 126.8553 +6.94e+06 K75.N,HN; K75.HD1
183 31 9.8554 0.8257 126.8524 +1.24e+07 L31.N,HN; L31.HD1#
185 32 9.8548 5.9065 126.7515 +8.49e+06 L31.N,HN; W30.HA
553 32 9.1384 2.6826 126.6874 +7.90e+06 F77.N,HN; F77.HB2
677 32 9.4243 4.6023 126.6677 +6.81e+06 I92.N,HN; I92.HA
551 32 9.1156 1.5277 126.6514 +8.38e+06 F77.N,HN; L49.HG
674 32 9.4092 2.8959 126.6453 +8.53e+06 I92.N,HN; Y91.HB2
549 32 9.1340 0.6901 126.6440 +4.11e+07 F77.N,HN; I76.HG2#
665 32 9.4073 1.0499 126.6434 +1.46e+07 I92.N,HN; I92.HG2#
675 32 9.4106 5.5366 126.6417 +9.94e+06 I92.N,HN; L79.HA
554 32 9.1360 4.6129 126.6288 +2.43e+07 F77.N,HN; I76.HA
550 32 9.1344 0.8181 126.6219 +2.28e+07 F77.N,HN; V47.HG2#
667 32 9.4108 1.3693 126.6168 +1.11e+07 I92.N,HN; I92.HG11
552 32 9.1232 1.7364 126.6152 +6.13e+06 F77.N,HN; I78.HB
663 32 9.4088 0.4435 126.6137 +1.20e+07 I92.N,HN; I92.HD1#
555 32 9.1314 5.0901 126.6107 +7.62e+06 F77.N,HN; L48.HA
557 32 9.1256 5.6679 126.6040 +5.94e+06 F77.N,HN; F77.HA
669 32 9.4146 1.8617 126.5865 +1.34e+07 I92.N,HN; I92.HB
668 32 9.4075 1.5849 126.5783 +5.38e+06 I92.N,HN; L79.HB1|HB2
676 32 9.4118 5.3116 126.5778 +2.39e+07 I92.N,HN; Y91.HA
664 32 9.4093 0.8343 126.5673 +1.40e+07 I92.N,HN; L79.HD1#|HD2#
333 37 8.3241 4.8857 125.6959 +2.32e+07 A50.N,HN; L49.HA
328 37 8.3223 1.4671 125.6947 +3.60e+07 A50.N,HN; A50.HB#
331 37 8.3272 5.3207 125.6927 +7.99e+06 A50.N,HN; A50.HA
326 37 8.3237 0.7064 125.6859 +2.69e+07 A50.N,HN; L49.HD1#
329 37 8.3311 1.9217 125.6689 +9.11e+06 A50.N,HN; V7.HB
327 37 8.3188 0.8297 125.6479 +1.50e+07 A50.N,HN; L79.HD1#|HD2#
332 37 8.3178 5.0750 125.6346 +6.81e+06 A50.N,HN; V7.HA
20 37 9.1699 1.5166 125.5715 +1.01e+07 I4.N,HN; I4.HB
17 38 9.1643 0.5770 125.5231 +8.54e+06 I4.N,HN; I4.HG2#
24 38 9.1737 5.3254 125.5204 +2.08e+07 I4.N,HN; R3.HA
22 38 9.1952 4.6713 125.5174 +6.73e+06 I4.N,HN; I4.HA
18 38 9.1680 0.9073 125.5142 +1.39e+07 I4.N,HN; I4.HG11
19 38 9.1532 1.2865 125.4948 +6.68e+06 I4.N,HN; I4.HG12
23 38 9.1645 5.0802 125.4936 +6.83e+06 I4.N,HN; V28.HA
643 39 8.8742 2.6885 125.2540 +7.55e+06 D89.N,HN; D89.HB1
642 39 8.8727 0.7098 125.2405 +1.81e+07 D89.N,HN; V88.HG2#
641 39 8.8783 0.4444 125.2403 +1.70e+07 D89.N,HN; V88.HG1#
645 39 8.8782 3.7919 125.2318 +1.86e+07 D89.N,HN; V88.HA
646 39 8.8808 4.6514 125.2164 +1.50e+07 D89.N,HN; D89.HA
644 39 8.8808 2.3707 125.2124 +6.51e+06 D89.N,HN; D89.HB2
25 40 8.1175 0.1039 125.0903 +5.90e+06 V5.N,HN; I4.HD1#
31 40 8.1161 5.0698 125.0882 +8.98e+06 V5.N,HN; V28.HA
32 40 8.1143 4.6568 125.0756 +2.35e+07 V5.N,HN; I4.HA
28 40 8.1146 0.9815 125.0747 +3.69e+07 V5.N,HN; V5.HG2#
26 40 8.1184 0.5821 125.0658 +2.86e+07 V5.N,HN; I4.HG2#
29 40 8.1152 1.8374 125.0619 +1.83e+07 V5.N,HN; V5.HB
27 40 8.1142 0.8409 125.0496 +2.40e+07 V5.N,HN; V47.HG2#
833 42 8.2551 1.4324 124.6281 +6.58e+07 A113.N,HN; A113.HB#
835 42 8.2545 4.4099 124.6227 +9.79e+07 A113.N,HN; A113.HA
834 42 8.2556 1.6488 124.6178 +2.56e+07 A113.N,HN; L112.HB1|HB2
831 42 8.2516 0.8962 124.6070 +1.11e+07 A113.N,HN; L112.HD1#
625 43 9.1972 2.8994 124.5155 +1.05e+07 Q86.N,HN; Y85.HB1
626 43 9.1972 4.4872 124.4991 +1.32e+07 Q86.N,HN; Q86.HA
923 43 9.1992 2.0657 124.4821 +4.16e+07 Q86.N,HN; Q86.HB1
622 43 9.1987 2.3989 124.4763 +5.40e+07 Q86.N,HN; Q86.HG1|HG2
627 43 9.1987 4.6279 124.4752 +4.97e+07 Q86.N,HN; Y85.HA
620 43 9.1942 0.8979 124.4440 +6.43e+06 Q86.N,HN; V62.HG1#
325 43 8.8139 4.6335 124.4383 +6.37e+06 L49.N,HN; I76.HA
624 43 9.1959 2.6762 124.4365 +9.04e+06 Q86.N,HN; Y85.HB2
879 43 8.8165 1.5689 124.4356 +2.09e+07 L49.N,HN; L49.HB2
321 43 8.8157 1.3902 124.4323 +1.29e+07 L49.N,HN; L48.HB2
324 43 8.8117 5.0838 124.4199 +2.59e+07 L49.N,HN; L48.HA
619 43 9.1952 0.7151 124.4195 +9.56e+06 Q86.N,HN; V88.HG2#
318 43 8.8157 0.6919 124.4166 +3.62e+07 L49.N,HN; L49.HD1#
317 43 8.8146 0.8129 124.4050 +1.91e+07 L49.N,HN; V47.HG2#
323 43 8.8028 4.9003 124.3835 +8.68e+06 L49.N,HN; L49.HA
843 44 7.7655 4.3942 124.3252 +9.17e+06 Q117.N,HN; A116.HA
844 44 7.7814 4.1749 124.2764 +3.32e+07 Q117.N,HN; Q117.HA
57 44 9.2566 4.6208 124.2355 +8.29e+06 E9.N,HN; F53.HA
54 44 9.2626 2.0892 124.1992 +1.61e+07 E9.N,HN; E9.HB2
53 44 9.2769 1.4726 124.1875 +7.74e+06 E9.N,HN; A50.HB#
56 44 9.2613 4.7800 124.1693 +2.72e+07 E9.N,HN; S8.HA
55 44 9.2638 4.8906 124.1570 +1.50e+07 E9.N,HN; E9.HA
728 45 8.4806 4.6190 123.9595 +6.01e+06 F101.N,HN; S100.HA
727 45 8.4993 4.2600 123.9564 +1.62e+07 F101.N,HN; F101.HA
724 45 8.4960 2.9094 123.9396 +1.36e+07 F101.N,HN; F101.HB2
723 45 8.4939 0.4245 123.9374 +9.00e+06 F101.N,HN; I96.HG2#
725 46 8.4984 3.4096 123.9108 +1.54e+07 F101.N,HN; F101.HB1
726 46 8.4995 3.9436 123.8956 +1.11e+07 F101.N,HN; S100.HB2
827 46 8.0643 1.2771 123.8820 +6.22e+06 L112.N,HN; T110.HG2#
95 46 6.8946 1.3504 123.8760 +1.27e+07 L16.N,HN; L16.HG
943 46 8.0636 1.6557 123.8576 +8.37e+07 L112.N,HN; L112.HB1|HB2
829 46 8.0593 3.9358 123.8562 +1.42e+07 L112.N,HN; S111.HB2
830 46 8.0634 4.4877 123.8519 +5.14e+07 L112.N,HN; S111.HA
92 46 6.8982 0.7581 123.8412 +2.24e+07 L16.N,HN; L16.HD2#
69 46 8.5324 4.1160 123.8400 +1.78e+07 A12.N,HN; A12.HA
93 46 6.8946 0.8598 123.8352 +2.23e+07 L16.N,HN; L16.HD1#
826 46 8.0686 0.9083 123.8351 +1.10e+07 L112.N,HN; L112.HD1#
67 46 8.5349 2.2326 123.8318 +1.44e+07 A12.N,HN; E11.HB1|HB2
66 46 8.5363 1.4958 123.8304 +4.65e+07 A12.N,HN; A12.HB#
97 46 6.8965 1.7696 123.8275 +2.32e+07 L16.N,HN; L16.HB2
96 46 6.8959 1.5616 123.8134 +2.76e+07 L16.N,HN; L16.HB1
94 46 6.9029 1.2352 123.8085 +1.56e+07 L16.N,HN; T15.HG2#
99 46 6.8999 4.1097 123.8079 +3.48e+07 L16.N,HN; L16.HA
98 46 6.9021 3.7144 123.7928 +8.41e+06 L16.N,HN; T13.HA
828 46 8.0822 3.0738 123.7812 +6.71e+06 L112.N,HN; K75.HE1
343 46 8.5856 2.0566 123.7695 +1.01e+07 F53.N,HN; P52.HB2
348 46 8.5779 4.3329 123.7673 +1.45e+07 F53.N,HN; P52.HA
346 46 8.5711 3.1563 123.7567 +5.40e+06 F53.N,HN; F53.HB1
349 46 8.5781 4.6398 123.7476 +8.27e+06 F53.N,HN; F53.HA
345 47 8.5840 2.9623 123.6918 +7.08e+06 F53.N,HN; F53.HB2
914 50 10.0901 1.5762 122.9802 +1.28e+07 I76.N,HN; K75.HB1
915 50 10.0985 2.7140 122.9779 +5.73e+06 I76.N,HN; D89.HB1
546 50 10.0875 0.6844 122.9504 +1.54e+07 I76.N,HN; I76.HG2#
548 51 10.0874 4.9101 122.8988 +1.55e+07 I76.N,HN; K75.HA
260 53 7.7135 0.7780 122.4768 +3.25e+07 A41.N,HN; L40.HD1#
266 53 7.7125 3.9187 122.4692 +2.66e+07 A41.N,HN; L40.HA
262 53 7.7132 1.4769 122.4608 +1.20e+08 A41.N,HN; A41.HB#
263 53 7.7140 1.7585 122.4530 +2.16e+07 A41.N,HN; L40.HB1
267 53 7.7130 4.1476 122.4481 +4.30e+07 A41.N,HN; A41.HA
264 53 7.7173 2.2846 122.4363 +6.51e+06 A41.N,HN; E37.HG2
117 53 8.3978 0.8637 122.3885 +8.14e+06 I20.N,HN; L16.HD1#
122 53 8.4061 4.0789 122.3701 +1.66e+07 I20.N,HN; S19.HB1|HB2
120 53 8.4101 1.7757 122.3685 +1.88e+07 I20.N,HN; I20.HB
877 53 7.7119 3.4822 122.3661 +6.83e+06 A41.N,HN; V36.HA
121 53 8.4057 3.7200 122.3268 +1.03e+07 I20.N,HN; I20.HA
116 53 8.4114 0.7024 122.3230 +1.77e+07 I20.N,HN; I20.HD1#
567 54 8.1549 3.0244 122.2505 +7.59e+06 I78.N,HN; F77.HB1
660 54 8.5706 4.5479 122.2413 +4.77e+07 Y91.N,HN; R90.HA
656 54 8.5675 1.4206 122.2352 +4.13e+07 Y91.N,HN; R90.HB1
659 54 8.5668 3.0463 122.2274 +5.45e+06 Y91.N,HN; R90.HD1
661 54 8.5663 5.3217 122.2209 +1.02e+07 Y91.N,HN; Y91.HA
658 54 8.5665 2.8630 122.2193 +1.98e+07 Y91.N,HN; R90.HD2
566 54 8.1537 2.7047 122.2152 +7.35e+06 I78.N,HN; F77.HB2
657 54 8.5669 1.1656 122.2148 +5.18e+06 Y91.N,HN; I78.HG2#
655 54 8.5652 0.4374 122.2126 +7.67e+06 Y91.N,HN; V88.HG1#
568 54 8.1511 5.0441 122.2083 +8.30e+06 I78.N,HN; I78.HA
963 54 7.2669 2.5897 122.2010 +6.57e+06 E35.N,HN; D33.HB1|HB2
564 54 8.1504 0.6766 122.2003 +1.69e+07 I78.N,HN; I76.HG2#
560 54 8.1496 1.7436 122.1978 +1.64e+07 I78.N,HN; I78.HB
569 54 8.1516 5.3069 122.1955 +1.12e+07 I78.N,HN; Y91.HA
570 54 8.1448 5.6894 122.1947 +2.59e+07 I78.N,HN; F77.HA
916 54 8.1446 1.2989 122.1923 +1.37e+07 I78.N,HN; I78.HG12
561 54 8.1532 1.1965 122.1913 +1.81e+07 I78.N,HN; I78.HG2#
558 54 8.1500 0.4438 122.1908 +1.95e+07 I78.N,HN; V88.HG1#
210 54 7.2716 4.7491 122.1836 +7.86e+06 E35.N,HN; D33.HA
205 54 7.2607 2.2489 122.1681 +1.96e+07 E35.N,HN; E35.HG1
209 54 7.2612 4.3046 122.1675 +2.70e+07 E35.N,HN; E35.HA
204 54 7.2614 1.8742 122.1635 +4.26e+07 E35.N,HN; E35.HB2
868 54 7.2617 2.0743 122.1564 +4.66e+07 E35.N,HN; E35.HB1
202 54 7.2634 0.7954 122.1562 +2.64e+07 E35.N,HN; L39.HD1#
208 54 7.2616 3.9588 122.1512 +1.95e+07 E35.N,HN; G34.HA1
207 54 7.2618 3.3894 122.1487 +1.44e+07 E35.N,HN; G34.HA2
203 54 7.2599 0.9732 122.1243 +8.34e+06 E35.N,HN; V36.HG2#
337 54 7.9922 1.5869 122.1119 +3.46e+07 E51.N,HN; L79.HB1|HB2
336 55 7.9944 1.4767 122.0763 +3.72e+07 E51.N,HN; A50.HB#
342 55 7.9943 5.3346 122.0685 +3.43e+07 E51.N,HN; A50.HA
883 55 7.9943 0.8595 122.0511 +1.97e+07 E51.N,HN; L79.HD1#|HD2#
341 55 7.9968 4.3599 122.0416 +6.46e+06 E51.N,HN; P52.HA
599 56 8.1100 1.1668 121.8052 +2.20e+07 K82.N,HN; K82.HG1|HG2
601 56 8.1159 3.9214 121.7490 +2.78e+07 K82.N,HN; S81.HB1|HB2
920 56 8.1112 1.5723 121.7470 +3.39e+07 K82.N,HN; K82.HB2
600 56 8.1075 3.5903 121.7459 +1.21e+07 K82.N,HN; K82.HA
602 56 8.1117 4.4174 121.7442 +4.61e+07 K82.N,HN; S81.HA
11 60 8.4667 1.6384 120.9486 +1.62e+07 R3.N,HN; R3.HB2
944 60 8.4650 1.3667 120.9221 +1.47e+07 R3.N,HN; I45.HG11|HG12
13 60 8.4657 2.0556 120.9140 +1.74e+07 R3.N,HN; R3.HB1
15 60 8.4651 4.5491 120.9105 +3.32e+07 R3.N,HN; G2.HA1
12 60 8.4690 1.7868 120.9085 +1.06e+07 R3.N,HN; R3.HG2
7 60 8.4668 1.0283 120.9055 +1.75e+07 R3.N,HN; I45.HD1#
14 60 8.4650 3.9903 120.8980 +3.43e+07 R3.N,HN; G2.HA2
62 60 8.4384 4.8975 120.8933 +1.18e+07 D10.N,HN; E9.HA
8 60 8.4671 1.1778 120.8863 +2.45e+07 R3.N,HN; I45.HG2#
60 61 8.4410 2.8509 120.8446 +1.16e+07 D10.N,HN; D10.HB1
9 61 8.4545 0.9000 120.8316 +7.46e+06 R3.N,HN; I4.HG11
16 61 8.4738 5.3197 120.8244 +1.08e+07 R3.N,HN; R3.HA
61 61 8.4358 4.7571 120.7998 +2.00e+07 D10.N,HN; D10.HA
59 61 8.4368 2.6533 120.7980 +1.48e+07 D10.N,HN; D10.HB2
58 61 8.4405 2.3641 120.7904 +1.06e+07 D10.N,HN; E9.HB1
783 61 8.2583 2.7281 120.7819 +3.15e+07 M107.N,HN; M107.HG1
786 61 8.2611 3.8846 120.7811 +1.31e+07 M107.N,HN; Q104.HA
63 61 8.4366 3.7174 120.7806 +6.30e+06 D10.N,HN; T13.HB
784 61 8.2591 4.2158 120.7727 +5.60e+07 M107.N,HN; M107.HA
938 61 8.2588 2.0960 120.7691 +3.97e+07 M107.N,HN; M107.HB1
782 61 8.2621 2.5804 120.7675 +2.28e+07 M107.N,HN; M107.HG2
779 61 8.2591 1.2464 120.7653 +2.35e+07 M107.N,HN; T106.HG2#
785 61 8.2560 3.9701 120.7519 +1.39e+07 M107.N,HN; Q103.HA
145 61 7.2121 4.0305 120.7292 +1.65e+07 A24.N,HN; T23.HA
141 61 7.2029 1.0989 120.7204 +7.09e+06 A24.N,HN; I20.HG2#
139 61 7.2210 0.5795 120.7149 +6.20e+06 A24.N,HN; L21.HD1#
142 61 7.2114 1.3069 120.7039 +2.55e+07 A24.N,HN; T23.HG2#
144 61 7.2104 4.3934 120.7003 +4.92e+07 A24.N,HN; A24.HA
143 61 7.2109 1.6929 120.6954 +1.02e+08 A24.N,HN; A24.HB#
410 62 7.4880 3.3206 120.6300 +1.38e+07 L61.N,HN; V58.HA
411 62 7.4814 4.0517 120.6233 +3.16e+07 L61.N,HN; L61.HA
408 62 7.4754 2.2775 120.6214 +1.39e+07 L61.N,HN; E60.HG2
895 62 7.4823 1.6853 120.6213 +4.44e+07 L61.N,HN; L61.HB1
409 62 7.4847 2.3950 120.6098 +1.19e+07 L61.N,HN; E60.HG1
407 62 7.4827 2.0827 120.6096 +4.00e+07 L61.N,HN; E60.HB1|HB2
406 62 7.4821 0.8103 120.6053 +3.05e+07 L61.N,HN; L61.HD1#
140 62 7.2146 0.8817 120.6038 +1.44e+07 A24.N,HN; L102.HD2#
166 63 8.4188 2.9114 120.3847 +6.32e+06 Q27.N,HN; Y26.HB1
168 63 8.4233 5.3226 120.3317 +6.90e+06 Q27.N,HN; R3.HA
164 63 8.4233 2.0058 120.3189 +7.41e+06 Q27.N,HN; Q27.HB1
861 63 8.4392 1.3004 120.3144 +5.35e+06 Q27.N,HN; I4.HG12
169 63 8.4243 4.6343 120.2723 +2.65e+07 Q27.N,HN; Y26.HA
167 64 8.4136 4.9979 120.1840 +7.48e+06 Q27.N,HN; Q27.HA
448 65 8.2532 3.2221 119.9369 +8.90e+06 L65.N,HN; V62.HA
447 65 8.2521 2.7125 119.9019 +8.32e+06 L65.N,HN; Q64.HG1
896 65 8.2501 0.9740 119.8975 +1.25e+07 L65.N,HN; V36.HG2#
444 65 8.2457 1.7142 119.8968 +6.29e+06 L65.N,HN; R68.HG1|HG2
446 65 8.2449 2.3212 119.8918 +8.73e+06 L65.N,HN; Q64.HB1
449 66 8.2453 3.9678 119.8484 +2.34e+07 L65.N,HN; L65.HA
441 66 8.2460 0.7521 119.8301 +4.57e+07 L65.N,HN; L65.HD1#
383 67 8.0851 4.2409 119.5831 +2.55e+07 D57.N,HN; G56.HA1
380 67 8.0841 2.5920 119.5773 +2.97e+07 D57.N,HN; D57.HB2
382 67 8.0838 4.6112 119.5708 +2.73e+07 D57.N,HN; D57.HA
381 67 8.0845 2.7603 119.5675 +3.08e+07 D57.N,HN; D57.HB1
386 67 8.0872 3.7872 119.5666 +4.14e+07 Q59.N,HN; Q59.HA
891 67 8.0873 2.1033 119.5621 +2.28e+07 D57.N,HN; E60.HB1|HB2
374 67 8.0894 0.2406 119.5564 +1.29e+07 Q59.N,HN; V58.HG2#
894 67 8.0851 2.2606 119.5489 +2.62e+07 D57.N,HN; E60.HG2
387 67 8.0850 1.1939 119.5385 +1.89e+07 Q59.N,HN; V58.HB
893 67 8.0871 2.3921 119.5348 +2.47e+07 D57.N,HN; E60.HG1
390 67 8.0867 3.3251 119.5311 +5.69e+06 D57.N,HN; V58.HA
373 67 8.0876 -0.0869 119.5107 +2.52e+07 Q59.N,HN; V58.HG1#
430 67 8.7553 3.8111 119.4745 +8.87e+06 D63.N,HN; Q59.HA
429 68 8.7592 4.1012 119.4429 +1.70e+07 D63.N,HN; E60.HA
426 68 8.7607 2.5900 119.4258 +2.52e+07 D63.N,HN; D63.HB2
427 68 8.7588 2.9122 119.4212 +2.69e+07 D63.N,HN; D63.HB1
423 68 8.7588 0.7101 119.4198 +2.42e+07 D63.N,HN; V62.HG2#
425 68 8.7594 2.0572 119.4196 +2.43e+07 D63.N,HN; V62.HB
424 68 8.7636 0.9001 119.4176 +2.26e+07 D63.N,HN; V62.HG1#
299 68 7.2997 2.1815 119.3993 +1.13e+07 A46.N,HN; P44.HB1
301 68 7.3051 4.6601 119.3949 +1.66e+07 A46.N,HN; I4.HA
428 68 8.7639 4.2698 119.3948 +2.28e+07 D63.N,HN; D63.HA
297 68 7.3003 1.3642 119.3705 +1.72e+07 A46.N,HN; I45.HG11|HG12
295 68 7.3024 0.6672 119.3704 +1.45e+07 A46.N,HN; L74.HD1#
745 68 7.9298 4.6167 119.3681 +1.27e+07 Q103.N,HN; S100.HA
747 68 7.9307 3.6496 119.3599 +7.37e+06 Q103.N,HN; L102.HA
298 68 7.2979 1.7235 119.3587 +1.04e+07 A46.N,HN; P44.HB2
294 68 7.3003 1.0222 119.3510 +3.75e+07 A46.N,HN; A46.HB#
744 68 7.9267 3.9940 119.3505 +3.10e+07 Q103.N,HN; Q103.HA
537 68 7.7763 4.0260 119.3467 +6.75e+06 L74.N,HN; E72.HA
934 68 7.9272 2.1762 119.3466 +9.06e+07 Q103.N,HN; Q103.HB1|HB2
307 68 8.5885 1.7393 119.3462 +1.98e+07 V47.N,HN; V47.HB
742 68 7.9313 1.8336 119.3424 +2.00e+07 Q103.N,HN; L102.HB1
910 68 7.7874 1.3671 119.3417 +1.87e+07 L74.N,HN; L74.HB2
535 68 7.7861 4.4756 119.3385 +3.11e+07 L74.N,HN; L74.HA
305 68 8.5878 1.0198 119.3323 +3.68e+07 V47.N,HN; A46.HB#
296 68 7.2994 1.1811 119.3286 +1.56e+07 A46.N,HN; I45.HG2#
309 68 8.5884 5.3761 119.3281 +2.72e+07 V47.N,HN; A46.HA
530 68 7.7850 0.6564 119.3259 +2.68e+07 L74.N,HN; L74.HD1#
303 68 8.5890 0.6795 119.3238 +3.24e+07 V47.N,HN; I76.HG2#
532 68 7.7826 1.5430 119.3222 +6.18e+06 L74.N,HN; K75.HG1|HG2
911 68 7.7855 2.0763 119.3216 +1.78e+07 L74.N,HN; Q73.HB2
300 68 7.2983 5.4025 119.3190 +8.57e+06 A46.N,HN; A46.HA
304 68 8.5882 0.8242 119.3148 +3.59e+07 V47.N,HN; V47.HG2#
746 68 7.9263 4.2435 119.3102 +8.08e+06 Q103.N,HN; T106.HB
808 68 7.8605 3.7690 119.3034 +1.13e+07 L109.N,HN; T106.HA
806 68 7.8585 4.3724 119.2989 +2.50e+07 L109.N,HN; L109.HA
536 68 7.7875 4.2471 119.2941 +1.88e+07 L74.N,HN; Q73.HA
804 68 7.8587 1.2932 119.2935 +1.21e+07 L109.N,HN; T110.HG2#
533 68 7.7859 2.3566 119.2919 +1.59e+07 L74.N,HN; E72.HG2
939 68 7.8559 1.9489 119.2841 +4.11e+07 L109.N,HN; L109.HG
807 68 7.8596 4.0045 119.2786 +1.07e+07 L109.N,HN; G108.HA1
812 68 7.8589 1.6578 119.2593 +1.85e+07 L109.N,HN; L109.HB2
803 69 7.8567 0.7441 119.2475 +3.74e+07 L109.N,HN; L109.HD1#
851 69 7.9174 2.3938 119.2079 +5.76e+07 Q103.N,HN; Q103.HG1
308 69 8.5943 5.0403 119.1985 +1.05e+07 V47.N,HN; V47.HA
809 69 7.8549 3.5579 119.1939 +7.19e+06 L109.N,HN; G108.HA2
220 69 8.9518 0.8581 119.1678 +4.01e+07 E37.N,HN; V36.HG1#
225 69 8.9497 3.4741 119.1636 +8.90e+06 E37.N,HN; V36.HA
221 69 8.9520 0.9695 119.1622 +1.69e+07 E37.N,HN; V36.HG2#
870 69 8.9533 2.0162 119.1599 +7.43e+07 E37.N,HN; E37.HB1
869 69 8.9511 2.2548 119.1572 +5.63e+07 E37.N,HN; E37.HG1
850 69 7.9083 1.5824 119.1568 +1.62e+07 I17.N,HN; I17.HB
226 69 8.9474 4.3030 119.1550 +9.49e+06 E37.N,HN; E35.HA
405 69 7.9139 3.8184 119.1533 +8.75e+06 E60.N,HN; Q59.HA
223 69 8.9530 3.9292 119.1438 +3.00e+07 E37.N,HN; E37.HA
400 69 7.9147 2.0977 119.1438 +8.89e+07 E60.N,HN; E60.HB1|HB2
102 69 7.8999 3.0929 119.1213 +7.11e+06 I17.N,HN; I17.HA
402 69 7.9116 2.7695 119.1063 +7.69e+06 E60.N,HN; D57.HB1
100 69 7.8976 0.3967 119.1027 +1.37e+07 I17.N,HN; I17.HD1#
403 69 7.9141 3.3369 119.0980 +6.05e+06 E60.N,HN; V58.HA
404 69 7.9132 4.0984 119.0904 +3.88e+07 E60.N,HN; E60.HA
849 69 7.9030 0.2196 119.0703 +8.61e+06 I17.N,HN; I96.HD1#
413 70 8.3024 -0.0904 119.0217 +6.32e+06 V62.N,HN; V58.HG1#
417 70 8.3129 2.0600 119.0209 +2.31e+07 V62.N,HN; V62.HB
416 70 8.3136 1.6748 119.0070 +1.92e+07 V62.N,HN; L61.HB2
414 70 8.3157 0.7018 118.9992 +5.69e+07 V62.N,HN; V62.HG2#
415 70 8.3158 0.9053 118.9958 +2.19e+07 V62.N,HN; V62.HG1#
229 70 7.4680 1.6747 118.9832 +1.68e+07 R38.N,HN; R38.HB2
234 70 7.4668 3.8922 118.9792 +2.13e+07 R38.N,HN; R38.HA
232 70 7.4632 1.9996 118.9755 +2.60e+07 R38.N,HN; E37.HB1
420 70 8.3145 3.8211 118.9708 +8.22e+06 V62.N,HN; Q59.HA
419 70 8.3104 3.2350 118.9597 +1.17e+07 V62.N,HN; V62.HA
233 70 7.4651 2.2520 118.9568 +2.18e+07 R38.N,HN; E35.HG1
422 70 8.3164 4.0617 118.9567 +1.16e+07 V62.N,HN; L61.HA
228 70 7.4647 0.8249 118.9533 +1.47e+07 R38.N,HN; L31.HD2#
230 70 7.4659 1.8434 118.9512 +2.80e+07 R38.N,HN; R38.HB1
231 70 7.4711 1.4759 118.9416 +1.38e+07 R38.N,HN; L39.HB2
159 71 7.7857 4.6585 118.8033 +1.75e+07 Y26.N,HN; Y26.HA
158 71 7.7892 2.4040 118.8030 +1.07e+07 Y26.N,HN; Y26.HB2
162 71 7.7845 3.5595 118.7871 +5.25e+06 Y26.N,HN; G25.HA2
161 71 7.7899 4.1622 118.7319 +1.03e+07 Y26.N,HN; G25.HA1
157 71 7.7879 1.6816 118.7224 +1.22e+07 Y26.N,HN; A24.HB#
765 72 7.7610 3.6253 118.6202 +9.50e+06 V105.N,HN; L102.HA
758 72 7.7544 -0.0010 118.6154 +4.96e+07 V105.N,HN; V105.HG1#
764 72 7.7584 3.2291 118.6059 +1.49e+07 V105.N,HN; V105.HA
759 72 7.7578 0.3117 118.5880 +1.84e+07 V105.N,HN; V105.HG2#
761 72 7.7549 1.5567 118.5827 +2.84e+07 V105.N,HN; V105.HB
609 72 7.1839 0.7117 118.5792 +1.50e+07 Y85.N,HN; V88.HG2#
616 72 7.1806 4.4714 118.5752 +6.84e+06 Y85.N,HN; Q86.HA
611 72 7.1810 2.6768 118.5638 +3.02e+07 Y85.N,HN; Y85.HB2
614 72 7.1810 4.8205 118.5589 +5.59e+07 Y85.N,HN; N84.HA
610 72 7.1829 2.4574 118.5546 +1.34e+07 Y85.N,HN; N84.HB2
615 72 7.1841 4.6339 118.5491 +2.65e+07 Y85.N,HN; Y85.HA
613 72 7.1750 3.4102 118.5473 +6.39e+06 Y85.N,HN; G83.HA2
767 72 7.7486 4.2485 118.5367 +6.79e+06 V105.N,HN; T106.HB
612 72 7.1851 2.8963 118.5271 +1.73e+07 Y85.N,HN; Y85.HB1
766 72 7.7478 3.8907 118.4947 +7.79e+06 V105.N,HN; Q104.HA
439 72 8.0806 3.9695 118.4935 +3.53e+07 Q64.N,HN; Q64.HA
762 72 7.7465 2.1737 118.4930 +6.81e+06 V105.N,HN; Q103.HB1|HB2
437 72 8.0776 2.7123 118.4915 +3.84e+07 Q64.N,HN; Q64.HG1
431 72 8.0762 0.9745 118.4906 +1.40e+07 Q64.N,HN; V36.HG2#
432 72 8.0820 0.8025 118.4815 +1.59e+07 Q64.N,HN; L61.HD1#
440 72 8.0816 4.2709 118.4731 +1.26e+07 Q64.N,HN; D63.HA
435 72 8.0844 2.3173 118.4650 +2.39e+07 Q64.N,HN; Q64.HB1
434 72 8.0823 2.0664 118.4634 +2.68e+07 Q64.N,HN; Q64.HB2
436 72 8.0790 2.4515 118.4566 +3.55e+07 Q64.N,HN; Q64.HG2
438 72 8.0830 2.9226 118.4390 +1.69e+07 Q64.N,HN; D63.HB1
433 73 8.0906 1.6364 118.4362 +6.03e+06 Q64.N,HN; L61.HB2
729 74 8.3891 1.0826 118.0723 +1.55e+07 L102.N,HN; I20.HG2#
730 75 8.3895 0.9369 118.0281 +1.61e+07 L102.N,HN; L102.HD1#
733 75 8.3881 1.4941 118.0181 +2.09e+07 L102.N,HN; L102.HB2
735 75 8.3922 1.8200 118.0162 +2.30e+07 L102.N,HN; L102.HB1
739 75 8.3863 3.6279 118.0126 +1.73e+07 L102.N,HN; L102.HA
734 75 8.3836 1.6263 118.0103 +1.37e+07 L102.N,HN; L102.HG
731 75 8.3915 0.8804 118.0027 +1.50e+07 L102.N,HN; L102.HD2#
360 75 7.1294 4.7528 117.9951 +2.72e+07 Y55.N,HN; Y55.HA
359 75 7.1301 4.3561 117.9937 +1.60e+07 Y55.N,HN; S54.HA
356 75 7.1277 3.1923 117.9886 +1.41e+07 Y55.N,HN; Y55.HB1
951 75 8.3876 2.1539 117.9783 +6.56e+06 L102.N,HN; Q103.HB1|HB2
472 75 7.6668 4.5477 117.9486 +1.08e+07 Q67.N,HN; R66.HA
948 75 8.3983 4.1498 117.9406 +9.07e+06 L102.N,HN; E99.HA
358 75 7.1359 4.0233 117.9397 +9.44e+06 Y55.N,HN; S54.HB1
113 75 7.9072 3.1320 117.9371 +9.63e+06 S19.N,HN; C18.HB1
355 75 7.1272 2.9265 117.9350 +1.06e+07 Y55.N,HN; Y55.HB2
361 75 7.1257 4.6437 117.9291 +1.45e+07 Y55.N,HN; F53.HA
357 75 7.1178 3.7199 117.9205 +6.87e+06 Y55.N,HN; S54.HB2
469 75 7.6604 3.9629 117.9066 +2.13e+07 Q67.N,HN; Q64.HA
465 75 7.6596 2.1505 117.9040 +1.04e+08 Q67.N,HN; Q67.HB1|HB2
467 75 7.6612 2.5948 117.9018 +4.93e+07 Q67.N,HN; Q67.HG2
471 75 7.6593 4.1418 117.9015 +5.10e+07 Q67.N,HN; Q67.HA
466 75 7.6582 2.4553 117.8991 +4.06e+07 Q67.N,HN; Q67.HG1
464 75 7.6578 1.7197 117.8850 +1.55e+07 Q67.N,HN; R68.HG1|HG2
468 75 7.6582 3.1552 117.8828 +8.84e+06 Q67.N,HN; R68.HD1|HD2
854 75 7.9067 0.7168 117.8772 +1.18e+07 S19.N,HN; I17.HG2#
853 75 7.9025 0.8798 117.8526 +1.37e+07 S19.N,HN; L16.HD1#
114 75 7.9081 4.0669 117.8413 +6.35e+07 S19.N,HN; S19.HB1|HB2
458 76 8.8209 3.3934 117.7816 +5.76e+06 R66.N,HN; R66.HD1
137 76 7.9014 1.7052 117.7745 +1.09e+07 T23.N,HN; A24.HB#
459 76 8.8200 3.2480 117.7740 +6.11e+06 R66.N,HN; R66.HD2
460 76 8.8187 3.9639 117.7629 +9.52e+06 R66.N,HN; L65.HA
451 76 8.8219 0.7507 117.7580 +2.18e+07 R66.N,HN; L65.HD1#
135 76 7.8956 1.1345 117.7508 +1.84e+07 T23.N,HN; T22.HG2#
462 76 8.8239 4.5465 117.7478 +9.10e+06 R66.N,HN; R66.HA
690 76 8.2227 0.4179 117.7458 +2.53e+07 I96.N,HN; I96.HG2#
138 76 7.8970 4.3579 117.7439 +3.66e+07 T23.N,HN; T23.HB
689 76 8.2228 0.2059 117.7439 +1.68e+07 I96.N,HN; I96.HD1#
452 76 8.8235 1.5539 117.7412 +9.65e+06 R66.N,HN; R66.HG2
694 76 8.2225 1.9318 117.7390 +2.23e+07 I96.N,HN; P95.HB2
453 76 8.8199 2.1395 117.7348 +2.15e+07 R66.N,HN; R66.HB1
696 76 8.2229 4.3901 117.7327 +2.96e+07 I96.N,HN; P95.HA
692 76 8.2226 1.0445 117.7296 +4.63e+07 I96.N,HN; I96.HG11|HG12
693 76 8.2241 1.6505 117.7295 +3.06e+07 I96.N,HN; I96.HB
691 76 8.2243 0.8360 117.7255 +3.70e+07 I96.N,HN; L94.HD2#
695 76 8.2192 2.3590 117.7231 +1.28e+07 I96.N,HN; P95.HB1
454 76 8.8209 2.4620 117.7230 +5.76e+06 R66.N,HN; Q67.HG1
461 76 8.8255 4.2879 117.7158 +8.49e+06 R66.N,HN; D63.HA
697 76 8.2260 4.0548 117.7140 +1.45e+07 I96.N,HN; I96.HA
749 76 7.9641 0.4491 117.7088 +8.13e+06 Q104.N,HN; I92.HD1#
757 76 7.9519 4.6201 117.7014 +6.30e+06 Q104.N,HN; S100.HA
134 76 7.8965 1.3059 117.6968 +2.47e+07 T23.N,HN; T23.HG2#
750 76 7.9584 1.8793 117.6804 +1.54e+07 Q104.N,HN; Q104.HB2
754 76 7.9536 3.8864 117.6594 +2.70e+07 Q104.N,HN; Q104.HA
753 76 7.9553 2.5971 117.6451 +2.94e+07 Q104.N,HN; Q104.HG1
751 76 7.9561 2.1686 117.6321 +4.03e+07 Q104.N,HN; Q103.HB1|HB2
752 77 7.9539 2.4247 117.5994 +4.05e+07 Q104.N,HN; Q104.HG2
748 77 7.9560 0.0015 117.5567 +7.17e+06 Q104.N,HN; V105.HG1#
88 77 7.9113 3.4803 117.4808 +9.59e+06 T15.N,HN; T15.HA
842 77 8.1204 4.3894 117.4704 +7.32e+06 S115.N,HN; T114.HA
85 78 7.9078 1.2309 117.3900 +2.44e+07 T15.N,HN; T15.HG2#
87 78 7.9033 2.6835 117.3532 +7.66e+06 T15.N,HN; S14.HB2
86 78 7.9050 1.4747 117.3488 +5.61e+06 T15.N,HN; A12.HB#
90 78 7.9137 4.1401 117.3198 +2.21e+07 T15.N,HN; T15.HB
857 78 8.0301 0.7082 117.3014 +7.00e+06 T22.N,HN; L21.HD2#
351 78 8.4392 4.0324 117.2655 +9.47e+06 S54.N,HN; S54.HB1
353 79 8.4309 4.6504 117.2131 +2.18e+07 S54.N,HN; F53.HA
236 79 7.2307 0.7813 117.2041 +3.55e+07 L39.N,HN; L39.HD1#
240 79 7.2350 1.8272 117.2005 +3.54e+07 L39.N,HN; L39.HB1
238 79 7.2336 1.4697 117.1992 +2.69e+07 L39.N,HN; L39.HB2
243 79 7.2269 3.7416 117.1945 +1.61e+07 L39.N,HN; L39.HA
352 79 8.4236 4.3516 117.1843 +1.50e+07 S54.N,HN; S54.HA
239 79 7.2307 1.6807 117.1799 +2.53e+07 L39.N,HN; L39.HG
131 79 8.0250 0.9276 117.1771 +1.21e+07 T22.N,HN; V28.HG2#
350 79 8.4313 3.7096 117.1745 +1.23e+07 S54.N,HN; S54.HB2
133 79 8.0299 4.2797 117.1616 +1.63e+07 T22.N,HN; T22.HB
237 79 7.2364 0.9787 117.1606 +1.02e+07 L39.N,HN; V36.HG2#
241 79 7.2378 2.0387 117.1597 +1.04e+07 L39.N,HN; V36.HB
244 79 7.2307 3.4863 117.1581 +9.33e+06 L39.N,HN; V36.HA
245 79 7.2366 3.8838 117.1580 +1.32e+07 L39.N,HN; R38.HA
497 79 8.3169 2.7793 117.1443 +1.11e+07 C69.N,HN; C69.HB1
502 79 8.3094 5.0145 117.1397 +1.56e+07 C69.N,HN; C69.HA
130 79 8.0268 1.1382 117.1225 +1.82e+07 T22.N,HN; T22.HG2#
905 79 8.3152 2.1235 117.1213 +1.98e+07 C69.N,HN; L65.HB1
492 79 8.3150 0.7641 117.1189 +1.53e+07 C69.N,HN; L40.HD2#
501 79 8.3118 4.5031 117.1169 +2.41e+07 C69.N,HN; R68.HA
496 79 8.3131 2.5070 117.1139 +1.93e+07 C69.N,HN; C69.HB2
132 79 8.0358 4.6872 117.1123 +1.02e+07 T22.N,HN; T22.HA
500 79 8.3135 4.1364 117.1037 +7.34e+06 C69.N,HN; Q67.HA
858 79 8.0220 1.2960 117.0940 +4.78e+06 T22.N,HN; T23.HG2#
494 79 8.3115 1.7267 117.0882 +2.27e+07 C69.N,HN; R68.HG1|HG2
499 79 8.3114 3.9626 117.0845 +7.81e+06 C69.N,HN; L65.HA
638 79 7.0228 4.5003 117.0269 +6.77e+06 V88.N,HN; Q86.HA
498 79 8.3080 3.1454 117.0250 +9.85e+06 C69.N,HN; R68.HD1|HD2
824 80 7.9374 4.4003 116.9961 +5.48e+06 S111.N,HN; L112.HA
630 80 7.0215 0.7165 116.9516 +6.88e+07 V88.N,HN; V88.HG2#
634 80 7.0212 1.9041 116.9486 +4.52e+07 V88.N,HN; V88.HB
629 80 7.0216 0.4490 116.9475 +2.87e+07 V88.N,HN; V88.HG1#
637 80 7.0282 4.0802 116.9467 +5.42e+06 V88.N,HN; G87.HA1
633 80 7.0145 1.4855 116.9434 +5.79e+06 V88.N,HN; I76.HG11
636 80 7.0208 3.7798 116.9422 +2.28e+07 V88.N,HN; V88.HA
631 80 7.0217 0.8997 116.9343 +1.23e+07 V88.N,HN; V62.HG1#
635 80 7.0331 2.4039 116.9300 +9.40e+06 V88.N,HN; Q86.HG1|HG2
639 80 7.0182 1.2590 116.9288 +5.63e+06 V88.N,HN; I78.HG12
529 80 7.5108 4.4519 116.9201 +6.56e+06 Q73.N,HN; L74.HA
528 80 7.5010 4.2512 116.9019 +2.66e+07 Q73.N,HN; Q73.HA
522 80 7.5026 1.3474 116.8965 +7.86e+06 Q73.N,HN; T70.HG2#
527 80 7.5003 4.0461 116.8933 +1.29e+07 Q73.N,HN; E72.HA
525 80 7.5040 2.3540 116.8662 +3.15e+07 Q73.N,HN; E72.HG2
523 80 7.5060 2.1726 116.8621 +2.44e+07 Q73.N,HN; Q73.HB1
822 80 7.9428 3.9612 116.8590 +5.30e+06 S111.N,HN; S111.HB1
524 80 7.5042 2.0170 116.8527 +2.27e+07 Q73.N,HN; E72.HB1
823 80 7.9312 4.4918 116.8127 +6.82e+06 S111.N,HN; S111.HA
526 81 7.4953 2.6797 116.7980 +5.15e+06 Q73.N,HN; P71.HB1
681 81 7.3986 1.8844 116.7722 +2.48e+07 L94.N,HN; P93.HB2
686 81 7.3968 4.5806 116.7614 +5.93e+07 L94.N,HN; P93.HA
928 81 7.3966 1.4982 116.7602 +2.40e+07 L94.N,HN; L94.HG
685 81 7.3953 4.4346 116.7574 +1.76e+07 L94.N,HN; G80.HA1
680 81 7.3929 1.3467 116.7571 +1.18e+07 L94.N,HN; L94.HB2
678 81 7.3958 0.8532 116.7557 +3.16e+07 L94.N,HN; L94.HD2#
683 81 7.3995 2.2995 116.7512 +2.47e+07 L94.N,HN; P93.HB1
682 81 7.4043 2.0310 116.7424 +1.77e+07 L94.N,HN; P93.HG1|HG2
684 81 7.3970 4.3248 116.7419 +1.90e+07 L94.N,HN; L94.HA
679 81 7.3967 1.0357 116.7114 +8.87e+06 L94.N,HN; I92.HG2#
962 81 7.3012 1.9971 116.6790 +6.92e+06 D33.N,HN; L31.HB1
688 81 7.3967 3.7474 116.6738 +7.15e+06 L94.N,HN; G80.HA2
506 81 8.5379 2.0528 116.6380 +1.05e+07 T70.N,HN; Q73.HB2
959 81 7.3026 0.0071 116.6257 +9.02e+06 D33.N,HN; V7.HG1#
191 81 7.3091 1.7281 116.6112 +9.16e+06 D33.N,HN; L31.HB2
511 82 8.5438 4.8191 116.5834 +1.40e+07 T70.N,HN; T70.HA
505 82 8.5400 2.1664 116.5802 +1.27e+07 T70.N,HN; Q73.HB1
193 82 7.2997 2.3430 116.5767 +1.26e+07 D33.N,HN; V32.HB
509 82 8.5400 2.7704 116.5711 +8.32e+06 T70.N,HN; C69.HB1
906 82 8.5401 2.3656 116.5644 +1.22e+07 T70.N,HN; E72.HG2
504 82 8.5418 1.3534 116.5610 +5.94e+07 T70.N,HN; T70.HG2#
510 82 8.5408 5.0099 116.5593 +6.09e+07 T70.N,HN; C69.HA
957 82 7.3017 4.7627 116.5574 +2.38e+07 D33.N,HN; D33.HA
961 82 7.3013 0.7705 116.5561 +4.11e+07 D33.N,HN; V32.HG1#
958 82 7.2948 4.5103 116.5536 +1.31e+07 D33.N,HN; V32.HA
194 82 7.2997 2.5811 116.5364 +1.97e+07 D33.N,HN; D33.HB1|HB2
708 83 9.1417 1.7890 116.3563 +7.07e+06 E99.N,HN; L102.HB1
710 83 9.1316 2.3493 116.3482 +2.98e+07 E99.N,HN; E99.HG1|HG2
956 83 9.1349 2.2055 116.3379 +1.49e+07 E99.N,HN; P98.HG2
955 83 9.1485 3.6844 116.3302 +7.30e+06 E99.N,HN; P98.HD1
709 83 9.1321 2.0688 116.3274 +5.13e+07 E99.N,HN; E99.HB1
712 83 9.1309 4.1621 116.3217 +2.10e+07 E99.N,HN; E99.HA
84 83 7.5822 4.1409 116.2319 +1.02e+07 S14.N,HN; T15.HB
79 84 7.5736 1.4948 116.1270 +6.91e+06 S14.N,HN; A12.HB#
77 84 7.5828 1.0392 116.1226 +1.52e+07 S14.N,HN; T13.HG2#
81 84 7.5836 3.3728 116.1183 +8.03e+06 S14.N,HN; S14.HA
82 84 7.5808 3.7019 116.1182 +1.61e+07 S14.N,HN; T13.HB
78 84 7.5801 1.2109 116.1163 +6.88e+06 S14.N,HN; S14.HB1
80 84 7.5828 2.7158 116.0918 +6.83e+06 S14.N,HN; S14.HB2
76 84 7.5619 0.2335 116.0731 +5.08e+06 S14.N,HN; L6.HD1#
83 84 7.5791 2.8604 116.0389 +5.26e+06 S14.N,HN; D10.HB1
650 86 7.2322 3.7905 115.7626 +8.43e+06 R90.N,HN; V88.HA
649 86 7.2388 2.6970 115.7530 +1.22e+07 R90.N,HN; F77.HB2
647 86 7.2347 0.4438 115.7357 +4.86e+07 R90.N,HN; V88.HG1#
653 86 7.2392 5.6877 115.7288 +1.63e+07 R90.N,HN; F77.HA
924 86 7.2351 1.4108 115.7272 +3.58e+07 R90.N,HN; R90.HB1
925 86 7.2397 2.3937 115.7192 +7.46e+06 R90.N,HN; D89.HB2
652 86 7.2326 4.6289 115.7149 +1.64e+07 R90.N,HN; D89.HA
651 86 7.2328 4.5398 115.6347 +2.11e+07 R90.N,HN; R90.HA
648 86 7.2289 0.7124 115.6234 +1.78e+07 R90.N,HN; V88.HG2#
127 87 8.3075 1.0891 115.4932 +2.12e+07 L21.N,HN; I20.HG2#
126 87 8.3042 0.9153 115.4842 +1.50e+07 L21.N,HN; V28.HG2#
128 87 8.3039 1.7451 115.4806 +1.63e+07 L21.N,HN; I20.HB
129 87 8.3078 4.2379 115.4722 +1.14e+07 L21.N,HN; L21.HA
125 87 8.3034 0.7072 115.4645 +2.65e+07 L21.N,HN; L21.HD2#
856 87 8.3071 1.9249 115.4599 +1.76e+07 L21.N,HN; L21.HG
124 87 8.3003 0.5828 115.4594 +1.78e+07 L21.N,HN; L21.HD1#
590 87 8.4632 0.8806 115.4434 +1.06e+07 S81.N,HN; L94.HD1#
488 87 7.2223 4.4984 115.4144 +2.49e+07 R68.N,HN; R68.HA
596 87 8.4611 4.4290 115.4028 +4.94e+07 S81.N,HN; S81.HA
480 87 7.2209 1.7161 115.3949 +4.08e+07 R68.N,HN; R68.HG1|HG2
597 88 8.4625 3.7405 115.3840 +2.76e+07 S81.N,HN; G80.HA2
595 88 8.4604 3.9183 115.3840 +6.18e+07 S81.N,HN; S81.HB1|HB2
593 88 8.4509 1.1945 115.3590 +1.34e+07 C18.N,HN; L21.HB2
484 88 7.2154 3.1342 115.3572 +1.71e+07 R68.N,HN; R68.HD1|HD2
945 88 8.4464 1.5760 115.3557 +1.57e+07 C18.N,HN; L16.HB1
946 88 8.4410 3.1230 115.3550 +1.14e+07 C18.N,HN; C18.HB1
947 88 7.2184 2.1379 115.3363 +3.66e+07 R68.N,HN; Q67.HB1|HB2
105 88 8.4452 0.7239 115.3277 +1.70e+07 C18.N,HN; I17.HG2#
482 88 7.2164 2.4737 115.3216 +1.12e+07 R68.N,HN; Q67.HG1
486 88 7.2253 4.1442 115.3192 +1.59e+07 R68.N,HN; Q67.HA
104 88 8.4457 0.2443 115.3100 +5.97e+06 C18.N,HN; L6.HD1#
852 88 8.4469 1.7611 115.3078 +6.24e+06 C18.N,HN; I20.HB
487 88 7.2159 3.9774 115.3050 +9.23e+06 R68.N,HN; L65.HA
479 88 7.2190 0.7582 115.2885 +1.34e+07 R68.N,HN; L65.HD1#
489 88 7.2165 2.5689 115.2583 +8.37e+06 R68.N,HN; Q67.HG2
247 89 8.1319 0.9987 115.0886 +1.00e+07 L40.N,HN; V36.HG2#
255 89 8.1389 3.7289 115.0816 +8.48e+06 L40.N,HN; L39.HA
257 89 8.1342 4.1481 115.0376 +6.75e+06 L40.N,HN; A41.HA
49 89 7.8830 1.4777 115.0354 +6.95e+06 S8.N,HN; A50.HB#
246 89 8.1333 0.7773 115.0312 +5.80e+07 L40.N,HN; L40.HD1#
249 89 8.1333 1.4573 115.0226 +3.34e+07 L40.N,HN; L39.HB2
874 89 8.1367 1.7313 115.0168 +3.47e+07 L40.N,HN; L40.HG
256 89 8.1367 3.9295 115.0125 +2.65e+07 L40.N,HN; L40.HA
254 89 8.1377 3.4813 114.9902 +5.91e+06 L40.N,HN; V36.HA
51 90 7.8826 4.5012 114.9671 +8.73e+06 S8.N,HN; V32.HA
47 90 7.8915 0.0052 114.9333 +1.83e+07 S8.N,HN; V7.HG1#
48 90 7.8894 0.7406 114.9253 +1.46e+07 S8.N,HN; L6.HD2#
73 90 8.0502 1.7675 114.9083 +7.06e+06 T13.N,HN; L16.HB2
52 90 7.8905 5.0700 114.8992 +2.64e+07 S8.N,HN; V7.HA
50 90 7.8965 4.7655 114.8683 +6.79e+06 S8.N,HN; S8.HA
75 90 8.0479 3.7072 114.8463 +3.33e+07 T13.N,HN; T13.HB
72 90 8.0481 1.4926 114.8434 +5.08e+07 T13.N,HN; A12.HB#
70 90 8.0425 1.0270 114.8099 +1.87e+07 T13.N,HN; T13.HG2#
966 91 7.1268 1.2264 114.7609 +1.18e+07 L42.N,HN; T43.HG2#
74 91 8.0481 4.1095 114.7245 +1.08e+07 T13.N,HN; A12.HA
272 91 7.1248 1.8200 114.7117 +1.76e+07 L42.N,HN; L42.HG
967 91 7.1228 1.4760 114.7108 +3.29e+07 L42.N,HN; A41.HB#
269 91 7.1195 0.7598 114.7066 +2.70e+07 L42.N,HN; L42.HD2#
273 91 7.1259 1.9908 114.7035 +1.25e+07 L42.N,HN; L42.HB1
268 91 7.1224 0.8801 114.6986 +2.14e+07 L42.N,HN; L42.HD1#
965 91 7.1278 3.4430 114.6873 +5.55e+06 L42.N,HN; P44.HD2
964 91 7.1157 3.8978 114.6814 +1.08e+07 L42.N,HN; T43.HA
276 91 7.1236 4.1286 114.6771 +2.05e+07 L42.N,HN; A41.HA
512 94 7.8735 1.3594 114.1433 +1.10e+07 E72.N,HN; T70.HG2#
908 94 7.8743 2.2559 114.1317 +3.27e+07 E72.N,HN; E72.HG1
519 94 7.8733 4.4864 114.1261 +8.76e+06 E72.N,HN; P71.HA
520 94 7.8751 4.7803 114.1208 +1.41e+07 E72.N,HN; T70.HB
513 94 7.8728 1.9638 114.1204 +5.01e+07 E72.N,HN; E72.HB2
515 94 7.8729 4.0428 114.1168 +2.93e+07 E72.N,HN; E72.HA
516 94 7.8792 3.8995 114.1147 +1.06e+07 E72.N,HN; P71.HD1|HD2
518 94 7.8743 4.2355 114.1045 +7.28e+06 E72.N,HN; Q73.HA
514 94 7.8798 2.6780 114.0797 +9.56e+06 E72.N,HN; P71.HB1
954 96 7.7929 2.0667 113.6904 +2.78e+07 S100.N,HN; P98.HB2
715 96 7.7978 2.3512 113.6788 +1.88e+07 S100.N,HN; E99.HG1|HG2
722 96 7.7945 4.6083 113.6632 +2.24e+07 S100.N,HN; S100.HA
721 96 7.7977 4.1174 113.6618 +2.53e+07 S100.N,HN; S100.HB1
720 96 7.7989 3.9290 113.6437 +2.48e+07 S100.N,HN; S100.HB2
777 100 8.2434 3.9912 112.8789 +1.30e+07 T106.N,HN; Q103.HA
774 100 8.2510 2.1266 112.8554 +5.14e+06 T106.N,HN; M107.HB1
770 100 8.2421 0.3047 112.8518 +1.89e+07 T106.N,HN; V105.HG2#
778 100 8.2469 4.2318 112.8469 +2.30e+07 T106.N,HN; T106.HB
776 100 8.2475 3.7694 112.8409 +2.17e+07 T106.N,HN; T106.HA
769 100 8.2445 0.0047 112.8373 +1.84e+07 T106.N,HN; V105.HG1#
775 100 8.2435 3.2380 112.8365 +8.22e+06 T106.N,HN; V105.HA
772 100 8.2485 1.2393 112.8310 +3.83e+07 T106.N,HN; T106.HG2#
771 100 8.2406 0.8521 112.8259 +6.26e+06 T106.N,HN; L102.HD2#
773 100 8.2462 1.5551 112.8114 +1.93e+07 T106.N,HN; V105.HB
841 102 7.9486 4.4060 112.4975 +3.24e+07 T114.N,HN; A113.HA
836 102 7.9443 1.4398 112.4720 +7.80e+06 T114.N,HN; A113.HB#
838 102 7.9355 4.2868 112.4530 +7.09e+06 T114.N,HN; T114.HB
968 105 7.6195 4.7908 111.9342 +1.09e+07 V32.N,HN; L31.HA
186 105 7.6221 0.7599 111.8972 +3.29e+07 V32.N,HN; V32.HG1#
291 107 8.8057 2.1278 111.4078 +8.53e+06 I45.N,HN; I45.HB
290 107 8.8027 1.6650 111.3620 +5.61e+06 I45.N,HN; R3.HB2
289 108 8.7962 1.3561 111.2996 +1.69e+07 I45.N,HN; I45.HG11|HG12
287 108 8.7922 1.0211 111.2947 +1.65e+07 I45.N,HN; A46.HB#
293 108 8.7997 4.5663 111.2945 +1.23e+07 I45.N,HN; P44.HA
288 108 8.7946 1.1724 111.2793 +2.00e+07 I45.N,HN; I45.HG2#
292 108 8.7938 4.6708 111.2688 +1.30e+07 I45.N,HN; I45.HA
819 108 7.5956 4.2228 111.1890 +1.16e+07 T110.N,HN; M107.HA
816 108 7.5971 1.6623 111.1492 +1.08e+07 T110.N,HN; L109.HB2
942 108 7.5988 4.3608 111.1369 +8.01e+07 T110.N,HN; T110.HA
606 108 6.5334 3.3949 111.1266 +1.32e+07 G83.N,HN; G83.HA2
815 109 7.5991 1.2974 111.1108 +5.85e+07 T110.N,HN; T110.HG2#
817 109 7.5995 1.9499 111.1079 +1.47e+07 T110.N,HN; L109.HB1
607 109 6.5306 3.5834 111.1021 +4.16e+07 G83.N,HN; K82.HA
604 109 6.5274 1.1622 111.0782 +1.90e+07 G83.N,HN; K82.HG1|HG2
605 109 6.5307 1.5547 111.0717 +1.51e+07 G83.N,HN; K82.HD1|HD2
814 109 7.6022 0.7594 111.0658 +2.00e+07 T110.N,HN; L109.HD2#
608 109 6.5310 4.0784 111.0594 +7.30e+06 G83.N,HN; G83.HA1
582 113 8.5573 1.1901 110.1955 +8.31e+06 G80.N,HN; I78.HG2#
585 113 8.5573 3.7368 110.1948 +1.44e+07 G80.N,HN; G80.HA2
584 113 8.5476 1.8519 110.1933 +8.07e+06 G80.N,HN; I92.HB
580 113 8.5535 0.8440 110.1905 +2.88e+07 G80.N,HN; L79.HD1#|HD2#
918 113 8.5569 1.5457 110.1787 +2.02e+07 G80.N,HN; L79.HB1|HB2
586 113 8.5561 4.4345 110.1756 +1.52e+07 G80.N,HN; G80.HA1
589 113 8.5417 5.3089 110.1700 +8.03e+06 G80.N,HN; Y91.HA
588 113 8.5541 5.5467 110.1689 +3.72e+07 G80.N,HN; L79.HA
587 113 8.5555 4.5762 110.1624 +1.32e+07 G80.N,HN; P93.HA
581 113 8.5521 1.0434 110.1483 +6.50e+06 G80.N,HN; I92.HG2#
366 118 7.3754 3.2035 109.1795 +6.64e+06 G56.N,HN; Y55.HB1
362 119 7.3704 3.7666 109.0913 +3.65e+07 G56.N,HN; G56.HA2
363 119 7.3683 4.2437 109.0829 +2.77e+07 G56.N,HN; G56.HA1
371 119 7.3723 4.7601 109.0708 +3.00e+07 G56.N,HN; Y55.HA
199 123 8.4970 3.3870 108.2380 +1.20e+07 G34.N,HN; G34.HA2
198 123 8.5017 2.5839 108.2240 +1.19e+07 G34.N,HN; D33.HB1|HB2
201 123 8.5003 4.7431 108.2190 +2.11e+07 G34.N,HN; D33.HA
200 123 8.4986 3.9555 108.2178 +1.04e+07 G34.N,HN; G34.HA1
282 125 7.6435 3.4454 107.8212 +1.08e+07 T43.N,HN; P44.HD2
277 125 7.6382 0.7532 107.8186 +1.78e+07 T43.N,HN; L42.HD2#
283 125 7.6402 3.5486 107.8161 +9.64e+06 T43.N,HN; P44.HD1
286 125 7.6382 4.4247 107.8098 +1.63e+07 T43.N,HN; T43.HB
279 125 7.6399 1.2167 107.7945 +5.93e+07 T43.N,HN; T43.HG2#
284 125 7.6403 3.8844 107.7906 +5.04e+07 T43.N,HN; T43.HA
281 125 7.6396 1.7917 107.7868 +6.43e+06 T43.N,HN; L40.HB1
285 125 7.6390 4.1363 107.7837 +1.15e+07 T43.N,HN; A41.HA
278 125 7.6296 0.9479 107.7733 +7.39e+06 T43.N,HN; V5.HG2#
280 125 7.6381 1.4604 107.7418 +9.61e+06 T43.N,HN; A41.HB#
;
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 . 'not observed' 9615.385 Hz . . . 2828.00 . . 30093 2
2 . . N 15 N . folded 1583.899 Hz . . . 7278.86 . . 30093 2
3 . . H 1 H-aliphatic . 'not observed' 5590.535 Hz . . . 2828.00 . . 30093 2
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
3 $software_3 . . 30093 2
5 $software_5 . . 30093 2
stop_
save_