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 53625
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name Fc_EEM_G0
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 1
_Spectral_peak_list.Experiment_name '2D 1H-15N HSQC'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
label dataset sw sf
HN 15N
s25r001-10_trosy_DG2-274.nv
4204.64404297 2837.68408203
700.132995605 70.952003479
HN.L HN.P HN.W HN.B HN.E HN.J HN.U 15N.L 15N.P 15N.W 15N.B 15N.E 15N.J 15N.U vol int stat comment flag0 flag8 flag9
0 {L639.H} 9.15985 0.02779 0.05636 ++ {0.0} {} {L639.N} 134.06813 0.12316 0.34549 ++ {0.0} {} 0.0 57.2038 0 {} 0 0 0
1 {D509.H} 9.84605 0.02726 0.04590 ++ {0.0} {} {D509.N} 131.22981 0.13794 0.29100 ++ {0.0} {} 0.0 27.4212 0 {} 0 0 0
2 {K638.H} 9.46996 0.02584 0.03917 ++ {0.0} {} {K638.N} 131.18591 0.16694 0.29463 ++ {0.0} {} 0.0 21.7072 0 {} 0 0 0
3 {L597.H} 9.35619 0.02142 0.04945 ++ {0.0} {} {L597.N} 131.16919 0.10724 0.32386 ++ {0.0} {} 0.0 79.2329 0 {} 0 0 0
4 {C490.H} 9.93480 0.02955 0.04222 ++ {0.0} {} {C490.N} 130.01353 0.18964 0.29896 ++ {0.0} {} 0.0 17.3734 0 {} 0 0 0
5 {L535.H} 8.46141 0.02733 0.04482 ++ {0.0} {} {L535.N} 129.82372 0.16171 0.29789 ++ {0.0} {} 0.0 26.0978 0 {} 0 0 0
6 {E512.H} 8.81037 0.02149 0.04242 ++ {0.0} {} {E512.N} 129.35213 0.13148 0.31661 ++ {0.0} {} 0.0 38.5063 0 {} 0 0 0
7 {C596.H} 9.71554 0.02664 0.05422 ++ {0.0} {} {C596.N} 128.70462 0.15724 0.30856 ++ {0.0} {} 0.0 59.4315 0 {} 0 0 0
8 {D628.H} 9.53865 0.01979 0.03829 ++ {0.0} {} {D628.N} 128.79146 0.12013 0.31867 ++ {0.0} {} 0.0 54.7882 0 {} 0 0 0
9 {A568.H} 8.55612 0.02430 0.03850 ++ {0.0} {} {A568.N} 128.75304 0.18478 0.33555 ++ {0.0} {} 0.0 24.6933 0 {} 0 0 0
10 {L594.H} 9.22208 0.02240 0.05655 ++ {0.0} {} {L594.N} 128.48523 0.13073 0.34334 ++ {0.0} {} 0.0 65.0399 0 {} 0 0 0
11 {F652.H} 9.00540 0.02185 0.05079 ++ {0.0} {} {F652.N} 128.43423 0.14509 0.36293 ++ {0.0} {} 0.0 59.5688 0 {} 0 0 0
12 {K551.H} 9.04468 0.02966 0.04916 ++ {0.0} {} {K551.N} 128.44473 0.14681 0.28304 ++ {0.0} {} 0.0 22.4856 0 {} 0 0 0
13 {K519.H} 8.68134 0.03082 0.03479 ++ {0.0} {} {K519.N} 128.26846 0.16295 0.18867 ++ {0.0} {} 0.0 11.5166 0 {} 0 0 0
14 {V552.H} 9.14526 0.02650 0.04181 ++ {0.0} {} {V552.N} 127.81712 0.15291 0.27061 ++ {0.0} {} 0.0 19.7709 0 {} 0 0 0
15 {L627.H} 8.27861 0.02005 0.05132 ++ {0.0} {} {L627.N} 127.88311 0.12454 0.32182 ++ {0.0} {} 0.0 91.4695 0 {} 0 0 0
16 {R584.H} 8.94976 0.02544 0.05476 ++ {0.0} {} {R584.N} 127.39537 0.15817 0.49564 ++ {0.0} {} 0.0 75.6704 0 {} 0 0 0
17 {K643.H} 8.66526 0.02206 0.05223 ++ {0.0} {} {K643.N} 127.09795 0.13957 0.40048 ++ {0.0} {} 0.0 86.6778 0 {} 0 0 0
18 {V492.H} 9.25577 0.02867 0.03834 ++ {0.0} {} {V492.N} 126.98722 0.16818 0.24151 ++ {0.0} {} 0.0 15.4133 0 {} 0 0 0
19 {Y548.H} 9.07249 0.02317 0.03502 ++ {0.0} {} {Y548.N} 127.00925 0.15801 0.27202 ++ {0.0} {} 0.0 19.1031 0 {} 0 0 0
20 {V491.H} 9.46819 0.02682 0.04406 ++ {0.0} {} {V491.N} 126.73635 0.14770 0.28800 ++ {0.0} {} 0.0 26.5518 0 {} 0 0 0
21 {V532.H} 8.36217 0.03246 0.04413 ++ {0.0} {} {V532.N} 126.69684 0.15611 0.21716 ++ {0.0} {} 0.0 13.6938 0 {} 0 0 0
22 {E659.H} 8.65894 0.03234 0.04772 ++ {0.0} {} {E659.N} 126.51377 0.21430 0.31575 ++ {0.0} {} 0.0 19.6467 0 {} 0 0 0
23 {N613.H} 9.31032 0.02179 0.03695 ++ {0.0} {} {N613.N} 126.64541 0.30074 0.42963 ++ {0.0} {} 0.0 22.2388 0 {} 0 0 0
24 {E523.H} 8.98114 0.02615 0.03193 ++ {0.0} {} {E523.N} 126.21961 0.25098 0.30661 ++ {0.0} {} 0.0 12.9451 0 {} 0 0 0
25 {A607.H} 8.11687 0.02358 0.03982 ++ {0.0} {} {A607.N} 126.27168 0.20287 0.31047 ++ {0.0} {} 0.0 25.8989 0 {} 0 0 0
26 {V626.H} 9.19655 0.02573 0.04246 ++ {0.0} {} {V626.N} 126.17886 0.18552 0.27044 ++ {0.0} {} 0.0 22.6767 0 {} 0 0 0
27 {K503.H} 8.22185 0.03352 0.06071 ++ {0.0} {} {K503.N} 126.13053 0.16942 0.29358 ++ {0.0} {} 0.0 24.1366 0 {} 0 0 0
28 {K676.H} 7.66449 0.01775 0.04115 ++ {0.0} {} {K676.N} 125.81020 0.14003 0.50711 ++ {0.0} {} 0.0 291.2917 0 {} 0 0 0
29 {V531.H} 9.16549 0.02013 0.04404 ++ {0.0} {} {V531.N} 125.63221 0.10965 0.28199 ++ {0.0} {} 0.0 47.6316 -1 {} 0 0 0
30 {A460.H} 8.16685 0.02477 0.04811 ++ {0.0} {} {A460.N} 125.47073 0.15050 0.33937 ++ {0.0} {} 0.0 47.9727 0 {} 0 0 0
31 {V534.H} 8.65060 0.02809 0.06114 ++ {0.0} {} {V534.N} 125.38631 0.20395 0.54119 ++ {0.0} {} 0.0 47.7980 0 {} 0 0 0
32 {V531.H} 9.28557 0.03127 0.03715 ++ {0.0} {} {V531.N} 125.48894 0.26822 0.31274 ++ {0.0} {} 0.0 12.8766 0 {} 0 0 0
33 {E609.H} 8.84014 0.02418 0.05126 ++ {0.0} {} {E609.N} 125.71035 0.20774 0.44130 ++ {0.0} {} 0.0 71.6285 0 {} 0 0 0
34 {C550.H} 8.63919 0.02844 0.04790 ++ {0.0} {} {C550.N} 125.42715 0.16380 0.33116 ++ {0.0} {} 0.0 21.2259 0 {} 0 0 0
35 {T640.H} 8.14693 0.04410 0.06299 ++ {0.0} {} {T640.N} 125.27579 0.13220 0.33093 ++ {0.0} {} 0.0 63.8317 0 {} 0 0 0
36 {F470.H} 9.38711 0.02899 0.04601 ++ {0.0} {} {F470.N} 125.12501 0.15494 0.26927 ++ {0.0} {} 0.0 21.4745 0 {} 0 0 0
37 {L672.H} 8.69619 0.02543 0.07339 ++ {0.0} {} {L672.N} 124.74640 0.13132 0.33953 ++ {0.0} {} 0.0 65.2806 0 {} 0 0 0
38 {K567.H} 8.65051 0.04315 0.06164 ++ {0.0} {} {K567.N} 124.75938 0.24097 0.29567 ++ {0.0} {} 0.0 13.5469 0 {} 0 0 0
39 {Y578.H} 9.28388 0.02526 0.05535 ++ {0.0} {} {Y578.N} 124.61497 0.13942 0.43469 ++ {0.0} {} 0.0 82.0009 0 {} 0 0 0
40 {L580.H} 9.43914 0.01417 0.01113 ++ {0.0} {} {L580.N} 124.10309 0.17525 0.05055 ++ {0.0} {} 0.0 5.8467 0 {} 0 0 0
41 {A660.H} 10.40236 0.03001 0.04204 ++ {0.0} {} {A660.N} 124.22035 0.22293 0.30714 ++ {0.0} {} 0.0 17.2518 0 {} 0 0 0
42 {L670.H} 9.46876 0.02842 0.07664 ++ {0.0} {} {L670.N} 124.02315 0.16087 0.44908 ++ {0.0} {} 0.0 74.5453 0 {} 0 0 0
43 {E574.H} 8.57078 0.02432 0.04425 ++ {0.0} {} {E574.N} 124.06941 0.17100 0.30930 ++ {0.0} {} 0.0 40.6824 0 {} 0 0 0
44 {E562.H} 8.39085 0.02649 0.04910 ++ {0.0} {} {E562.N} 123.84856 0.20830 0.37282 ++ {0.0} {} 0.0 34.8924 0 {} 0 0 0
45 {V511.H} 7.93660 0.02361 0.03972 ++ {0.0} {} {V511.N} 123.79831 0.20324 0.30881 ++ {0.0} {} 0.0 28.5726 0 {} 0 0 0
46 {K549.H} 9.38166 0.02502 0.04395 ++ {0.0} {} {K549.N} 123.62777 0.18006 0.29201 ++ {0.0} {} 0.0 22.8751 0 {} 0 0 0
47 {S655.H} 8.77128 0.02534 0.03890 ++ {0.0} {} {S655.N} 123.71680 0.23680 0.36992 ++ {0.0} {} 0.0 24.1335 0 {} 0 0 0
48 {A516.H} 8.02238 0.02785 0.03469 ++ {0.0} {} {A516.N} 123.57233 0.22189 0.27607 ++ {0.0} {} 0.0 13.0429 0 {} 0 0 0
49 {V656.H} 8.38045 0.02107 0.04408 ++ {0.0} {} {V656.N} 123.56402 0.14692 0.24778 ++ {0.0} {} 0.0 30.1073 0 {} 0 0 0
50 {L471.H} 8.07223 0.02730 0.07103 ++ {0.0} {} {L471.N} 123.02914 0.20765 0.52585 ++ {0.0} {} 0.0 54.9855 0 {} 0 0 0
51 {I606.H} 7.88959 0.02515 0.04672 ++ {0.0} {} {I606.N} 123.47283 0.17176 0.32011 ++ {0.0} {} 0.0 30.2199 0 {} 0 0 0
52 {E617.H} 8.08468 0.02622 0.04516 ++ {0.0} {} {E617.N} 122.99552 0.19131 0.31603 ++ {0.0} {} 0.0 28.3966 0 {} 0 0 0
53 {M657.H} 8.69189 0.02725 0.05088 ++ {0.0} {} {M657.N} 123.48753 0.21277 0.32395 ++ {0.0} {} 0.0 25.3446 0 {} 0 0 0
54 {D642.H} 8.43858 0.03390 0.04843 ++ {0.0} {} {D642.N} 123.31955 0.18909 0.46464 ++ {0.0} {} 0.0 59.8412 0 {} 0 0 0
55 {W506.H} 8.77083 0.02495 0.05313 ++ {0.0} {} {W506.N} 122.81280 0.19350 0.85433 ++ {0.0} {} 0.0 66.7781 0 {} 0 0 0
56 {K599.H} 9.28937 0.02495 0.05449 ++ {0.0} {} {K599.N} 122.70755 0.13223 0.40644 ++ {0.0} {} 0.0 45.4572 0 {} 0 0 0
57 {I482.H} 8.16867 0.02780 0.04617 ++ {0.0} {} {I482.N} 122.31729 0.25332 0.41640 ++ {0.0} {} 0.0 23.0673 0 {} 0 0 0
58 {L464.H} 8.02174 0.02996 0.06052 ++ {0.0} {} {L464.N} 122.99615 0.22111 0.47906 ++ {0.0} {} 0.0 28.8159 0 {} 0 0 0
59 {R521.H} 8.41082 0.02805 0.04861 ++ {0.0} {} {R521.N} 122.40241 0.23639 0.34785 ++ {0.0} {} 0.0 25.6605 0 {} 0 0 0
60 {V577.H} 7.75408 0.02502 0.07548 ++ {0.0} {} {V577.N} 122.41309 0.18643 0.48234 ++ {0.0} {} 0.0 116.3260 0 {} 0 0 0
61 {R573.H} 9.38574 0.02623 0.03697 ++ {0.0} {} {R573.N} 122.19733 0.21884 0.27606 ++ {0.0} {} 0.0 16.4367 0 {} 0 0 0
62 {E522.H} 8.74948 0.02293 0.03300 ++ {0.0} {} {E522.N} 122.20368 0.24400 0.33557 ++ {0.0} {} 0.0 16.2272 0 {} 0 0 0
63 {L463.H} 8.05983 0.04250 0.03381 ++ {0.0} {} {L463.N} 122.16250 0.28957 0.21281 ++ {0.0} {} 0.0 8.5694 0 {} 0 0 0
64 {K589.H} 7.88073 0.02653 0.07621 ++ {0.0} {} {K589.N} 122.29921 0.18048 0.57332 ++ {0.0} {} 0.0 109.4875 0 {} 0 0 0
65 {K563.H} 8.60924 0.02654 0.04613 ++ {0.0} {} {K563.N} 122.26432 0.17759 0.33249 ++ {0.0} {} 0.0 26.5163 0 {} 0 0 0
66 {L538.H} 8.32197 0.02836 0.05117 ++ {0.0} {} {L538.N} 122.42755 0.23422 0.40008 ++ {0.0} {} 0.0 28.6353 0 {} 0 0 0
67 {V495.H} 7.99489 0.02788 0.06230 ++ {0.0} {} {V495.N} 122.57861 0.25169 0.42569 ++ {0.0} {} 0.0 26.7105 0 {} 0 0 0
68 {Q571.H} 8.12549 0.03097 0.05570 ++ {0.0} {} {Q571.N} 122.18003 0.25692 0.45319 ++ {0.0} {} 0.0 38.1180 0 {} 0 0 0
69 {V608.H} 8.06305 0.03390 0.04843 ++ {0.0} {} {V608.N} 122.00804 0.23803 0.36989 ++ {0.0} {} 0.0 31.3572 0 {} 0 0 0
70 {I561.H} 8.33191 0.03537 0.05452 ++ {0.0} {} {I561.N} 122.14892 0.08314 0.28158 ++ {0.0} {} 0.0 20.4277 0 {} 0 0 0
71 {V508.H} 8.89862 0.02324 0.04212 ++ {0.0} {} {V508.N} 121.74764 0.20573 0.29953 ++ {0.0} {} 0.0 25.8819 0 {} 0 0 0
72 {V469.H} 7.86341 0.02519 0.04607 ++ {0.0} {} {V469.N} 121.53683 0.25889 0.38580 ++ {0.0} {} 0.0 20.8089 0 {} 0 0 0
73 {F504.H} 8.58468 0.02287 0.03765 ++ {0.0} {} {F504.N} 120.99641 0.24532 0.42409 ++ {0.0} {} 0.0 21.4284 0 {} 0 0 0
74 {E586.H} 7.47594 0.02397 0.06173 ++ {0.0} {} {E586.N} 121.63532 0.18554 0.47594 ++ {0.0} {} 0.0 71.9620 0 {} 0 0 0
75 {I565.H} 9.35557 0.02448 0.04135 ++ {0.0} {} {I565.N} 121.36399 0.17876 0.29895 ++ {0.0} {} 0.0 30.2781 0 {} 0 0 0
76 {T666.H} 8.29400 0.03420 0.05735 ++ {0.0} {} {T666.N} 121.41304 0.30811 0.50835 ++ {0.0} {} 0.0 23.2107 0 {} 0 0 0
77 {V651.H} 8.21358 0.02506 0.06520 ++ {0.0} {} {V651.N} 121.06190 0.14612 0.39003 ++ {0.0} {} 0.0 105.9092 0 {} 0 0 0
78 {T622.H} 9.00112 0.02764 0.05186 ++ {0.0} {} {T622.N} 120.89169 0.26429 0.42041 ++ {0.0} {} 0.0 30.8056 0 {} 0 0 0
79 {C458.H} 8.52684 0.02407 0.04489 ++ {0.0} {} {C458.N} 121.01643 0.24271 0.48323 ++ {0.0} {} 0.0 41.6471 0 {} 0 0 0
80 {S533.H} 8.90351 0.02328 0.04843 ++ {0.0} {} {S533.N} 120.66099 0.11674 0.30796 ++ {0.0} {} 0.0 56.5284 0 {} 0 0 0
81 {N505.H} 9.22762 0.02322 0.03456 ++ {0.0} {} {N505.N} 120.64683 0.18989 0.28362 ++ {0.0} {} 0.0 17.9651 0 {} 0 0 0
82 {Q576.H} 8.97197 0.03268 0.04668 ++ {0.0} {} {Q576.N} 120.65594 0.22362 0.40305 ++ {0.0} {} 0.0 29.9603 0 {} 0 0 0
83 {K569.H} 8.29065 0.02676 0.04960 ++ {0.0} {} {K569.N} 120.82879 0.24021 0.42653 ++ {0.0} {} 0.0 33.3687 0 {} 0 0 0
84 {N554.H} 8.07966 0.02672 0.03786 ++ {0.0} {} {N554.N} 120.89045 0.34500 0.51874 ++ {0.0} {} 0.0 17.7264 0 {} 0 0 0
85 {N619.H} 8.40004 0.03098 0.03870 ++ {0.0} {} {N619.N} 120.52800 0.28689 0.35231 ++ {0.0} {} 0.0 14.1264 0 {} 0 0 0
86 {V537.H} 7.83998 0.02793 0.04881 ++ {0.0} {} {V537.N} 120.45468 0.19631 0.38279 ++ {0.0} {} 0.0 28.5374 0 {} 0 0 0
87 {K517.H} 8.50366 0.03304 0.08033 ++ {0.0} {} {K517.N} 120.22089 0.25093 0.55656 ++ {0.0} {} 0.0 32.2197 0 {} 0 0 0
88 {V488.H} 8.49486 0.03402 0.07143 ++ {0.0} {} {V488.N} 120.39865 0.24324 0.43197 ++ {0.0} {} 0.0 32.6456 0 {} 0 0 0
89 {Q667.H} 7.63296 0.02120 0.04316 ++ {0.0} {} {Q667.N} 120.33739 0.23308 0.41110 ++ {0.0} {} 0.0 31.0230 0 {} 0 0 0
90 {D605.H} 6.76554 0.03973 0.05595 ++ {0.0} {} {D605.N} 120.51602 0.19034 0.28108 ++ {0.0} {} 0.0 16.5828 0 {} 0 0 0
91 {R530.H} 8.77207 0.02840 0.04436 ++ {0.0} {} {R530.N} 120.19494 0.17314 0.27897 ++ {0.0} {} 0.0 20.9014 0 {} 0 0 0
92 {R645.H} 7.39967 0.02427 0.06446 ++ {0.0} {} {R645.N} 120.26078 0.18722 0.36855 ++ {0.0} {} 0.0 59.0686 0 {} 0 0 0
93 {Y525.H} 8.34916 0.02663 0.05741 ++ {0.0} {} {Y525.N} 119.97861 0.18047 0.29452 ++ {0.0} {} 0.0 39.8934 0 {} 0 0 0
94 {Q615.H} 7.91508 0.02237 0.04959 ++ {0.0} {} {Q615.N} 119.81818 0.11865 0.34282 ++ {0.0} {} 0.0 72.5574 0 {} 0 0 0
95 {H658.H} 7.09727 0.02766 0.04750 ++ {0.0} {} {H658.N} 120.12904 0.16431 0.28639 ++ {0.0} {} 0.0 24.3050 0 {} 0 0 0
96 {Y602.H} 8.29014 0.04746 0.06780 ++ {0.0} {} {Y602.N} 119.81510 0.24726 0.30439 ++ {0.0} {} 0.0 13.7889 0 {} 0 0 0
97 {D541.H} 6.98624 0.03160 0.05780 ++ {0.0} {} {D541.N} 119.72800 0.13884 0.39102 ++ {0.0} {} 0.0 46.6667 0 {} 0 0 0
98 {K621.H} 8.46716 0.02790 0.06471 ++ {0.0} {} {K621.N} 119.33021 0.30074 0.42963 ++ {0.0} {} 0.0 38.4008 0 {} 0 0 0
99 {W646.H} 7.44147 0.02914 0.05766 ++ {0.0} {} {W646.N} 119.37397 0.15121 0.30794 ++ {0.0} {} 0.0 42.3266 0 {} 0 0 0
100 {V641.H} 8.42876 0.02665 0.05279 ++ {0.0} {} {V641.N} 119.88235 0.16831 0.30946 ++ {0.0} {} 0.0 45.5358 0 {} 0 0 0
101 {V513.H} 8.13505 0.03036 0.04808 ++ {0.0} {} {V513.N} 118.84824 0.22781 0.36077 ++ {0.0} {} 0.0 20.9090 0 {} 0 0 0
102 {T489.H} 7.91826 0.02728 0.04764 ++ {0.0} {} {T489.N} 119.40361 0.24842 0.35365 ++ {0.0} {} 0.0 19.7329 0 {} 0 0 0
103 {E547.H} 8.45970 0.01894 0.05359 ++ {0.0} {} {E547.N} 119.17845 0.19571 0.46789 ++ {0.0} {} 0.0 58.3592 0 {} 0 0 0
104 {M481.H} 7.24699 0.02687 0.04220 ++ {0.0} {} {M481.N} 118.97424 0.19507 0.31705 ++ {0.0} {} 0.0 22.6302 0 {} 0 0 0
105 {W542.H} 7.62938 0.03138 0.05109 ++ {0.0} {} {W542.N} 118.68202 0.20490 0.39506 ++ {0.0} {} 0.0 26.3204 0 {} 0 0 0
106 {S673.H} 8.07916 0.02304 0.05461 ++ {0.0} {} {S673.N} 118.74885 0.19023 0.63927 ++ {0.0} {} 0.0 129.4164 0 {} 0 0 0
107 {Y665.H} 7.32156 0.02754 0.05010 ++ {0.0} {} {Y665.N} 118.45201 0.18860 0.34104 ++ {0.0} {} 0.0 29.3102 0 {} 0 0 0
108 {K546.H} 7.37962 0.03666 0.06780 ++ {0.0} {} {K546.N} 118.37428 0.27243 0.40186 ++ {0.0} {} 0.0 21.1504 0 {} 0 0 0
109 {A559.H} 7.25907 0.03025 0.04637 ++ {0.0} {} {A559.N} 118.34765 0.23422 0.33110 ++ {0.0} {} 0.0 20.4332 0 {} 0 0 0
110 {S553.H} 8.31833 0.02983 0.04744 ++ {0.0} {} {S553.N} 118.33955 0.20544 0.31181 ++ {0.0} {} 0.0 20.5446 0 {} 0 0 0
111 {S669.H} 8.56031 0.02529 0.05151 ++ {0.0} {} {S669.N} 118.16062 0.20006 0.50142 ++ {0.0} {} 0.0 62.8258 0 {} 0 0 0
112 {Q591.H} 7.40544 0.02695 0.05705 ++ {0.0} {} {Q591.N} 118.18420 0.13062 0.56348 ++ {0.0} {} 0.0 89.0344 0 {} 0 0 0
113 {T623.H} 9.51382 0.02530 0.04767 ++ {0.0} {} {T623.N} 118.22704 0.12656 0.30307 ++ {0.0} {} 0.0 54.5429 0 {} 0 0 0
114 {S496.H} 8.24510 0.03122 0.03350 ++ {0.0} {} {S496.N} 117.99267 0.25012 0.26559 ++ {0.0} {} 0.0 10.9897 0 {} 0 0 0
115 {E611.H} 9.08422 0.02260 0.04457 ++ {0.0} {} {E611.N} 118.31295 0.14964 0.30659 ++ {0.0} {} 0.0 54.0205 0 {} 0 0 0
116 {T595.H} 7.86533 0.02514 0.05649 ++ {0.0} {} {T595.N} 117.65358 0.15549 0.34091 ++ {0.0} {} 0.0 46.6462 0 {} 0 0 0
117 {E487.H} 7.71641 0.02190 0.04089 ++ {0.0} {} {E487.N} 117.65501 0.19030 0.30853 ++ {0.0} {} 0.0 31.2407 0 {} 0 0 0
118 {D630.H} 7.59457 0.03114 0.06341 ++ {0.0} {} {D630.N} 117.59330 0.14663 0.47594 ++ {0.0} {} 0.0 61.7915 0 {} 0 0 0
119 {L480.H} 7.12774 0.03387 0.04140 ++ {0.0} {} {L480.N} 117.37034 0.19235 0.24696 ++ {0.0} {} 0.0 12.6607 0 {} 0 0 0
120 {S583.H} 8.85664 0.02831 0.06217 ++ {0.0} {} {S583.N} 117.27367 0.13627 0.36252 ++ {0.0} {} 0.0 46.9384 0 {} 0 0 0
121 {E585.H} 8.52022 0.02398 0.05551 ++ {0.0} {} {E585.N} 117.23782 0.16712 0.46763 ++ {0.0} {} 0.0 65.3511 0 {} 0 0 0
122 {Y507.H} 9.15655 0.02634 0.03678 ++ {0.0} {} {Y507.N} 116.63819 0.17451 0.26421 ++ {0.0} {} 0.0 16.3092 0 {} 0 0 0
123 {L661.H} 7.17538 0.02431 0.04019 ++ {0.0} {} {L661.N} 116.52823 0.16625 0.29482 ++ {0.0} {} 0.0 28.5147 0 {} 0 0 0
124 {S629.H} 9.77000 0.03377 0.06702 ++ {0.0} {} {S629.N} 116.16519 0.16005 0.47548 ++ {0.0} {} 0.0 54.3088 0 {} 0 0 0
125 {N515.H} 8.09241 0.03379 0.02674 ++ {0.0} {} {N515.N} 116.03900 0.29816 0.23823 ++ {0.0} {} 0.0 8.0395 0 {} 0 0 0
126 {N650.H} 6.80733 0.02757 0.05794 ++ {0.0} {} {N650.N} 116.01636 0.15026 0.46506 ++ {0.0} {} 0.0 53.9619 0 {} 0 0 0
127 {N618.H} 8.64447 0.02852 0.06002 ++ {0.0} {} {N618.N} 115.72792 0.18811 0.37738 ++ {0.0} {} 0.0 38.6016 0 {} 0 0 0
128 {N544.H} 7.90891 0.02822 0.04171 ++ {0.0} {} {N544.N} 115.75834 0.24186 0.34035 ++ {0.0} {} 0.0 19.7001 0 {} 0 0 0
129 {S671.H} 8.19487 0.02773 0.05620 ++ {0.0} {} {S671.N} 115.20422 0.27895 0.52754 ++ {0.0} {} 0.0 63.3201 0 {} 0 0 0
130 {Q647.H} 8.58385 0.04015 0.07313 ++ {0.0} {} {Q647.N} 115.56458 0.13668 0.32077 ++ {0.0} {} 0.0 36.7594 0 {} 0 0 0
131 {T485.H} 8.35435 0.02665 0.04902 ++ {0.0} {} {T485.N} 115.35175 0.15907 0.36539 ++ {0.0} {} 0.0 35.8002 0 {} 0 0 0
132 {Y636.H} 8.06024 0.02120 0.05079 ++ {0.0} {} {Y636.N} 115.75888 0.17351 0.40330 ++ {0.0} {} 0.0 59.5775 0 {} 0 0 0
133 {K477.H} 8.73709 0.03488 0.05319 ++ {0.0} {} {K477.N} 115.44131 0.19303 0.28545 ++ {0.0} {} 0.0 18.1833 0 {} 0 0 0
134 {Y620.H} 7.50152 0.02751 0.05789 ++ {0.0} {} {Y620.N} 115.31821 0.14161 0.43128 ++ {0.0} {} 0.0 79.1520 0 {} 0 0 0
135 {Q648.H} 7.62286 0.02569 0.06773 ++ {0.0} {} {Q648.N} 115.26022 0.18838 0.57160 ++ {0.0} {} 0.0 57.5473 0 {} 0 0 0
136 {S566.H} 7.64131 0.02670 0.04729 ++ {0.0} {} {S566.N} 114.98150 0.17566 0.40087 ++ {0.0} {} 0.0 30.0380 0 {} 0 0 0
137 {W610.H} 6.10420 0.03441 0.04101 ++ {0.0} {} {W610.N} 114.83339 0.21279 0.26816 ++ {0.0} {} 0.0 12.6599 0 {} 0 0 0
138 {L635.H} 9.56703 0.02278 0.05538 ++ {0.0} {} {L635.N} 114.87298 0.15833 0.34048 ++ {0.0} {} 0.0 72.2669 0 {} 0 0 0
139 {S593.H} 8.75392 0.02272 0.05055 ++ {0.0} {} {S593.N} 114.80788 0.15873 0.45105 ++ {0.0} {} 0.0 52.9959 0 {} 0 0 0
140 {S637.H} 9.28783 0.02382 0.04821 ++ {0.0} {} {S637.N} 114.40125 0.15711 0.32541 ++ {0.0} {} 0.0 48.1511 0 {} 0 0 0
141 {N590.H} 8.31788 0.02655 0.05164 ++ {0.0} {} {N590.N} 113.95778 0.22738 0.45129 ++ {0.0} {} 0.0 32.1814 0 {} 0 0 0
142 {D478.H} 6.79407 0.03020 0.03531 ++ {0.0} {} {D478.N} 113.87177 0.22100 0.26269 ++ {0.0} {} 0.0 12.7945 0 {} 0 0 0
143 {Q540.H} 9.07607 0.02778 0.04439 ++ {0.0} {} {Q540.N} 113.15289 0.16826 0.34776 ++ {0.0} {} 0.0 24.2122 0 {} 0 0 0
144 {S644.H} 8.73673 0.02571 0.05162 ++ {0.0} {} {S644.N} 113.40629 0.21901 0.55502 ++ {0.0} {} 0.0 66.8198 0 {} 0 0 0
145 {S612.H} 8.93374 0.03079 0.05502 ++ {0.0} {} {S612.N} 113.15090 0.15259 0.30283 ++ {0.0} {} 0.0 56.3234 0 {} 0 0 0
146 {T564.H} 8.18554 0.02522 0.04114 ++ {0.0} {} {T564.N} 113.02150 0.20192 0.36953 ++ {0.0} {} 0.0 30.1256 0 {} 0 0 0
147 {M587.H} 7.16960 0.02550 0.05557 ++ {0.0} {} {M587.N} 112.27568 0.19303 0.49015 ++ {0.0} {} 0.0 67.2463 0 {} 0 0 0
148 {S483.H} 7.52511 0.03127 0.04333 ++ {0.0} {} {S483.N} 112.05015 0.26532 0.37024 ++ {0.0} {} 0.0 16.1700 0 {} 0 0 0
149 {T579.H} 8.63561 0.02446 0.06116 ++ {0.0} {} {T579.N} 111.91570 0.12262 0.46552 ++ {0.0} {} 0.0 91.2589 0 {} 0 0 0
150 {S604.H} 8.19451 0.03102 0.03642 ++ {0.0} {} {S604.N} 111.82097 0.26418 0.29742 ++ {0.0} {} 0.0 12.2789 0 {} 0 0 0
151 {F634.H} 8.70105 0.02886 0.05573 ++ {0.0} {} {F634.N} 111.85783 0.13568 0.31820 ++ {0.0} {} 0.0 45.7030 0 {} 0 0 0
152 {F601.H} 7.75593 0.02651 0.04927 ++ {0.0} {} {F601.N} 111.38747 0.17212 0.33623 ++ {0.0} {} 0.0 38.6574 0 {} 0 0 0
153 {V592.H} 8.60941 0.02175 0.05160 ++ {0.0} {} {V592.N} 111.20872 0.12085 0.45635 ++ {0.0} {} 0.0 93.3604 0 {} 0 0 0
154 {G600.H} 8.28012 0.01800 0.03646 ++ {0.0} {} {G600.N} 111.17960 0.18681 0.36460 ++ {0.0} {} 0.0 41.4531 0 {} 0 0 0
155 {S527.H} 8.07443 0.03000 0.03017 ++ {0.0} {} {S527.N} 110.95270 0.29553 0.29714 ++ {0.0} {} 0.0 10.0618 0 {} 0 0 0
156 {G570.H} 8.38630 0.02566 0.04388 ++ {0.0} {} {G570.N} 110.81726 0.22734 0.42235 ++ {0.0} {} 0.0 29.5693 0 {} 0 0 0
157 {G675.H} 8.27155 0.01812 0.04891 ++ {0.0} {} {G675.N} 109.31213 0.16469 0.58145 ++ {0.0} {} 0.0 152.3505 0 {} 0 0 0
158 {G465.H} 8.17962 0.02589 0.04475 ++ {0.0} {} {G465.N} 109.17943 0.16324 0.41195 ++ {0.0} {} 0.0 26.7027 0 {} 0 0 0
159 {H664.H} 8.43917 0.03089 0.03537 ++ {0.0} {} {H664.N} 108.68024 0.17811 0.22711 ++ {0.0} {} 0.0 11.8771 0 {} 0 0 0
160 {G466.H} 7.80328 0.02923 0.01510 ++ {0.0} {} {G466.N} 108.22093 0.15373 0.06824 ++ {0.0} {} 0.0 6.4262 0 {} 0 0 0
161 {T588.H} 7.05419 0.02620 0.05533 ++ {0.0} {} {T588.N} 107.80208 0.13973 0.43617 ++ {0.0} {} 0.0 58.6134 0 {} 0 0 0
162 {G631.H} 7.67568 0.02023 0.05235 ++ {0.0} {} {G631.N} 107.54619 0.14959 0.43850 ++ {0.0} {} 0.0 71.2977 0 {} 0 0 0
163 {G545.H} 7.69696 0.02772 0.04205 ++ {0.0} {} {G545.N} 107.00130 0.16594 0.29117 ++ {0.0} {} 0.0 20.4159 0 {} 0 0 0
164 {T479.H} 7.07900 0.02955 0.02633 ++ {0.0} {} {T479.N} 104.64157 0.18507 0.16084 ++ {0.0} {} 0.0 9.0017 0 {} 0 0 0
165 {G649.H} 7.48438 0.02214 0.05444 ++ {0.0} {} {G649.N} 104.85102 0.18610 0.44018 ++ {0.0} {} 0.0 56.6359 0 {} 0 0 0
166 {G614.H} 8.64561 0.02067 0.04465 ++ {0.0} {} {G614.N} 103.69493 0.16340 0.39539 ++ {0.0} {} 0.0 72.2687 0 {} 0 0 0
167 {G510.H} 8.97175 0.02376 0.03911 ++ {0.0} {} {G510.N} 102.06239 0.16728 0.28746 ++ {0.0} {} 0.0 28.3953 0 {} 0 0 0
168 {S468.H} 8.08341 0.04009 0.04180 ++ {0.0} {} {S468.N} 114.25079 0.26696 0.27580 ++ {0.0} {} 0.0 4.2968 0 {} 0 0 0
169 {F633.H} 8.65576 0.02852 0.07694 ++ {0.0} {} {F633.N} 115.59599 0.18811 0.50160 ++ {0.0} {} 0.0 38.6016 0 {} 0 0 0
170 {N663.H} 8.98201 0.03727 0.02881 ++ {0.0} {} {N663.N} 121.56627 0.19379 0.28126 ++ {0.0} {} 0.0 3.0546 0 {} 0 0 0
171 {Y578.H} 9.28587 0.02526 0.07201 ++ {0.0} {} {Y578.N} 124.53115 0.13942 0.64295 ++ {0.0} {} 0.0 82.0009 0 {} 0 0 0
172 {H662.H} 9.27873 0.03127 0.05781 ++ {0.0} {} {H662.N} 125.21728 0.26822 0.43947 ++ {0.0} {} 0.0 12.8766 0 {} 0 0 0
173 {C654.H} 8.67592 0.03234 0.05752 ++ {0.0} {} {C654.N} 125.97787 0.21430 0.39996 ++ {0.0} {} 0.0 19.6467 0 {} 0 0 0
174 {Q524.H} 8.77151 0.02534 0.05273 ++ {0.0} {} {Q524.H} 123.04612 0.23680 0.45710 ++ {0.0} {} 0.0 24.1335 0 {} 0 0 0
175 {H539.H} 8.92471 0.04130 0.03906 ++ {0.0} {} {H539.N} 123.27820 0.36071 0.33620 ++ {0.0} {} 0.0 3.0965 0 {} 0 0 0
176 {H514.H} 8.75231 0.03329 0.02582 ++ {0.0} {} {H514.N} 118.03606 0.30788 0.23220 ++ {0.0} {} 0.0 4.0159 0 {} 0 0 0
177 {T518.H} 8.59427 0.02287 0.05089 ++ {0.0} {} {T518.N} 121.74004 0.25596 0.66120 ++ {0.0} {} 0.0 21.4284 0 {} 0 0 0
178 {E462.H} 8.46521 0.02721 0.04668 ++ {0.0} {} {E462.N} 119.58562 0.19706 0.43160 ++ {0.0} {} 0.0 81.1261 0 {} 0 0 0
179 {V598.H} 8.26769 0.02005 0.03628 ++ {0.0} {} {V598.N} 127.23742 0.12454 0.25596 ++ {0.0} {} 0.0 91.4695 0 {} 0 0 0
180 {R484.H} 7.74812 0.02502 0.03927 ++ {0.0} {} {R484.N} 122.69505 0.18643 0.29663 ++ {0.0} {} 0.0 116.3260 0 {} 0 0 0
181 {T528.H} 7.05950 0.05758 0.06040 ++ {0.0} {} {T528.N} 108.87343 0.38209 0.40280 ++ {0.0} {} 0.0 1.4225 0 {} 0 0 0
;
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 Proton . 'not observed' . ppm . . . . . . 53625 1
2 . . N 15 Nitrogen . 'not observed' . ppm . . . . . . 53625 1
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
1 $software_1 . . 53625 1
stop_
save_