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 53625
_Spectral_peak_list.ID 2
_Spectral_peak_list.Name C_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 2
_Spectral_peak_list.Experiment_name '2D 1H-13C 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
1H 13C
s25r001-11_Chsqc_DG2-274.nv
2811.97680664 4238.30175781
700.132995605 176.050994873
1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 13C.L 13C.P 13C.W 13C.B 13C.E 13C.J 13C.U vol int stat comment flag0 flag8 flag9
0 {A660.HB1} 1.64003 0.04692 0.02861 ++ {0.0} {} {A660.CB} 19.20034 0.50620 0.40894 ++ {0.0} {} 0.0 7.0436 0 {} 0 0 0
1 {T588.HG21} 1.27692 0.03434 0.01527 ++ {0.0} {} {T588.CG2} 21.55033 0.40727 0.26296 ++ {0.0} {} 0.0 6.4300 0 {} 0 0 0
2 {V531.HG11} 1.21454 0.03718 0.07965 ++ {0.0} {} {V531.CG1} 22.54481 0.09960 0.24302 ++ {0.0} {} 0.0 50.5073 0 {} 0 0 0
3 {L670.HD11} 1.11189 0.04124 0.06917 ++ {0.0} {} {L670.CD1} 24.74135 0.16399 0.27265 ++ {0.0} {} 0.0 35.6864 0 {} 0 0 0
4 {L670.HD21} 1.12058 0.02717 0.06448 ++ {0.0} {} {L670.CD2} 26.49713 0.09112 0.23871 ++ {0.0} {} 0.0 90.2452 0 {} 0 0 0
5 {I565.HD11} 1.07412 0.03559 0.07175 ++ {0.0} {} {I565.CD1} 14.86434 0.07907 0.23370 ++ {0.0} {} 0.0 76.5008 0 {} 0 0 0
6 {L471.HD21} 0.98465 0.03272 0.09033 ++ {0.0} {} {L471.CD2} 24.98923 0.09565 0.22198 ++ {0.0} {} 0.0 183.3565 0 {} 0 0 0
7 {V491.HG11} 1.09400 0.03660 0.08562 ++ {0.0} {} {V491.CG1} 22.38225 0.16578 0.31359 ++ {0.0} {} 0.0 39.8126 0 {} 0 0 0
8 {V511.HG11} 1.02275 0.04879 0.04583 ++ {0.0} {} {V511.CG1} 21.08199 0.15414 0.14790 ++ {0.0} {} 0.0 9.5090 0 {} 0 0 0
9 {T536.HG21} 1.04073 0.05118 0.18376 ++ {0.0} {} {T536.CG2} 21.70227 0.14069 0.22111 ++ {0.0} {} 0.0 43.6604 0 {} 0 0 0
10 {T666.HG21} 0.97421 0.06205 0.01283 ++ {0.0} {} {T666.CG2} 19.63786 0.19749 0.05918 ++ {0.0} {} 0.0 5.6246 0 {} 0 0 0
11 {L580.HD11} 0.96448 0.03305 0.08202 ++ {0.0} {} {L580.CD1} 26.85848 0.07106 0.20127 ++ {0.0} {} 0.0 126.9544 0 {} 0 0 0
12 {L538.HD11} 0.95941 0.03054 0.08562 ++ {0.0} {} {L538.CD1} 23.82178 0.19381 0.45103 ++ {0.0} {} 0.0 207.4971 0 {} 0 0 0
13 {L464.HD11} 0.91528 0.05119 0.17851 ++ {0.0} {} {L463.CD1} 25.16854 0.14789 0.88402 ++ {0.0} {} 0.0 239.1225 0 {} 0 0 0
14 {V492.HG11} 0.95427 0.03904 0.08644 ++ {0.0} {} {V492.CG1} 23.49676 0.12726 0.24056 ++ {0.0} {} 0.0 123.1249 0 {} 0 0 0
15 {V511.HG21} 0.97747 0.04428 0.11987 ++ {0.0} {} {V511.CG2} 21.77031 0.09682 0.25539 ++ {0.0} {} 0.0 222.0678 0 {} 0 0 0
16 {L463.HD21} 0.85687 0.03975 0.09617 ++ {0.0} {} {L463.CD2} 23.88462 0.22551 0.32216 ++ {0.0} {} 0.0 149.6751 0 {} 0 0 0
17 {L661.HD21} 0.95518 0.03957 0.11987 ++ {0.0} {} {L661.CD2} 23.39529 0.16865 0.28964 ++ {0.0} {} 0.0 85.5536 0 {} 0 0 0
18 {L464.HD21} 0.86096 0.04447 0.11987 ++ {0.0} {} {L464.CD2} 23.62662 0.12227 0.25383 ++ {0.0} {} 0.0 194.3369 0 {} 0 0 0
19 {L543.HD21} 0.87246 0.03101 0.14488 ++ {0.0} {} {L543.CD2} 22.37557 0.12153 0.22402 ++ {0.0} {} 0.0 204.9551 0 {} 0 0 0
20 {L471.HD11} 0.81103 0.04949 0.08839 ++ {0.0} {} {L471.CD1} 27.76817 0.16357 0.23626 ++ {0.0} {} 0.0 29.6506 0 {} 0 0 0
21 {L543.HD11} 0.84473 0.04060 0.06957 ++ {0.0} {} {L543.CD1} 25.51016 0.12204 0.21822 ++ {0.0} {} 0.0 28.5366 0 {} 0 0 0
22 {V626.HG11} 0.85180 0.04332 0.12307 ++ {0.0} {} {V626.CG1} 22.00333 0.13322 0.30154 ++ {0.0} {} 0.0 182.5475 0 {} 0 0 0
23 {L635.HD21} 0.81952 0.03377 0.08329 ++ {0.0} {} {L635.CD2} 28.06204 0.08517 0.22999 ++ {0.0} {} 0.0 149.2362 0 {} 0 0 0
24 {V534.HG21} 0.80641 0.03973 0.10091 ++ {0.0} {} {V534.CG2} 21.10968 0.13389 0.24634 ++ {0.0} {} 0.0 102.3286 0 {} 0 0 0
25 {A516.HB1} 0.80866 0.05877 0.06880 ++ {0.0} {} {A516.CB} 20.51290 0.17657 0.19391 ++ {0.0} {} 0.0 11.4579 0 {} 0 0 0
26 {I561.HD11} 0.80857 0.03531 0.07235 ++ {0.0} {} {I561.CD1} 14.09391 0.15372 0.34969 ++ {0.0} {} 0.0 48.3795 0 {} 0 0 0
27 {V513.HG11} 0.77731 0.04455 0.07970 ++ {0.0} {} {V513.CG1} 19.81433 0.14323 0.23191 ++ {0.0} {} 0.0 32.1356 0 {} 0 0 0
28 {V469.HG11} 0.73362 0.04265 0.06685 ++ {0.0} {} {V469.CG1} 22.74534 0.18501 0.30406 ++ {0.0} {} 0.0 28.1161 0 {} 0 0 0
29 {V608.HG21} 0.76955 0.04317 0.12088 ++ {0.0} {} {V608.CG2} 22.24636 0.11504 0.23163 ++ {0.0} {} 0.0 202.2609 0 {} 0 0 0
30 {I561.HG21} 0.75117 0.05273 0.05702 ++ {0.0} {} {I561.CG2} 17.94664 0.29068 0.32395 ++ {0.0} {} 0.0 11.0402 0 {} 0 0 0
31 {L672.HD21} 0.73596 0.02954 0.08632 ++ {0.0} {} {L672.CD2} 24.13451 0.09898 0.22138 ++ {0.0} {} 0.0 373.0201 0 {} 0 0 0
32 {L627.HD11} 0.69643 0.02687 0.09127 ++ {0.0} {} {L627.CD1} 25.90859 0.09759 0.21876 ++ {0.0} {} 0.0 217.0400 0 {} 0 0 0
33 {V651.HG11} 0.97779 0.04083 0.08901 ++ {0.0} {} {V651.CG2} 21.51141 0.14305 0.37710 ++ {0.0} {} 0.0 45.3283 0 {} 0 0 0
34 {L635.HD11} 0.71607 0.03514 0.09701 ++ {0.0} {} {L635.CD1} 23.92512 0.09550 0.21724 ++ {0.0} {} 0.0 179.7163 0 {} 0 0 0
35 {L597.HD21} 0.66580 0.04276 0.11737 ++ {0.0} {} {L597.CD2} 25.35919 0.13689 0.22822 ++ {0.0} {} 0.0 106.8593 0 {} 0 0 0
36 {L661.HD11} 0.66280 0.03288 0.05828 ++ {0.0} {} {L661.CD1} 27.31226 0.11950 0.18448 ++ {0.0} {} 0.0 22.6138 0 {} 0 0 0
37 {L672.HD11} 0.66617 0.03827 0.08721 ++ {0.0} {} {L672.CD1} 25.53188 0.07279 0.22892 ++ {0.0} {} 0.0 343.1174 0 {} 0 0 0
38 {I482.HD11} 0.61774 0.03828 0.08266 ++ {0.0} {} {I482.CD1} 13.02077 0.08815 0.21960 ++ {0.0} {} 0.0 139.5825 0 {} 0 0 0
39 {V656.HG11} 0.56461 0.04200 0.10030 ++ {0.0} {} {V656.CG1} 22.86756 0.15713 0.25417 ++ {0.0} {} 0.0 115.1665 0 {} 0 0 0
40 {V552.HG21} 0.57354 0.04710 0.09926 ++ {0.0} {} {V552.CG2} 22.45010 0.08985 0.16412 ++ {0.0} {} 0.0 52.1159 0 {} 0 0 0
41 {V534.HG11} 0.66803 0.04389 0.11987 ++ {0.0} {} {V534.CG1} 21.82185 0.08438 0.20049 ++ {0.0} {} 0.0 332.0548 0 {} 0 0 0
42 {V577.HG11} 0.50209 0.01889 0.02788 ++ {0.0} {} {V577.CG1} 21.51223 0.04933 0.07280 ++ {0.0} {} 0.0 19.0722 0 {} 0 0 0
43 {V577.HG21} 0.49972 0.03623 0.08589 ++ {0.0} {} {V577.CG2} 21.05658 0.07352 0.17710 ++ {0.0} {} 0.0 130.1865 0 {} 0 0 0
44 {V608.HG21} 0.56120 0.04463 0.06403 ++ {0.0} {} {V608.CG2} 20.87821 0.09723 0.16857 ++ {0.0} {} 0.0 24.8214 0 {} 0 0 0
45 {I606.HG21} 0.57722 0.04267 0.03176 ++ {0.0} {} {I606.CG2} 15.80484 0.31150 0.25222 ++ {0.0} {} 0.0 8.1853 0 {} 0 0 0
46 {V508.HG11} 0.53052 0.04123 0.07398 ++ {0.0} {} {V508.CG1} 20.51072 0.15704 0.23476 ++ {0.0} {} 0.0 37.6952 0 {} 0 0 0
47 {V592.HG11} 0.51244 0.03940 0.09566 ++ {0.0} {} {V592.CG1} 21.57708 0.07889 0.20569 ++ {0.0} {} 0.0 158.8486 0 {} 0 0 0
48 {L535.HD11} 0.45712 0.03238 0.05499 ++ {0.0} {} {L535.CD1} 26.47722 0.10116 0.16590 ++ {0.0} {} 0.0 19.7301 0 {} 0 0 0
49 {L480.HD21} 0.41601 0.04529 0.06418 ++ {0.0} {} {L480.CD2} 25.12341 0.10665 0.16217 ++ {0.0} {} 0.0 18.9743 0 {} 0 0 0
50 {V598.HG21} 0.58045 0.04234 0.11086 ++ {0.0} {} {V598.CG2} 21.88623 0.08317 0.21448 ++ {0.0} {} 0.0 329.2691 0 {} 0 0 0
51 {V552.HG11} 0.35924 0.03941 0.07732 ++ {0.0} {} {V552.CG1} 20.62712 0.09304 0.22384 ++ {0.0} {} 0.0 41.0038 0 {} 0 0 0
52 {V502.HG11} 0.36309 0.03812 0.08435 ++ {0.0} {} {V502.CG1} 23.00463 0.11372 0.21753 ++ {0.0} {} 0.0 53.1351 0 {} 0 0 0
53 {V641.HG11} 0.25730 0.03323 0.11936 ++ {0.0} {} {V641.CG1} 19.67663 0.08570 0.22444 ++ {0.0} {} 0.0 279.1941 0 {} 0 0 0
54 {L535.HD21} 0.27447 0.04859 0.13991 ++ {0.0} {} {L535.CD2} 23.07676 0.07347 0.23283 ++ {0.0} {} 0.0 169.9771 0 {} 0 0 0
55 {V537.HG11} 0.23785 0.04639 0.08324 ++ {0.0} {} {V537.CG1} 19.34427 0.15755 0.22037 ++ {0.0} {} 0.0 49.4671 0 {} 0 0 0
56 {L597.HD11} 0.14247 0.04087 0.09546 ++ {0.0} {} {L597.CD1} 21.08067 0.10240 0.21881 ++ {0.0} {} 0.0 131.2808 0 {} 0 0 0
57 {V592.HG21} 0.13507 0.04142 0.10444 ++ {0.0} {} {V592.CG2} 17.79646 0.07678 0.20443 ++ {0.0} {} 0.0 200.8882 0 {} 0 0 0
58 {L594.HD21} -0.05954 0.04063 0.10016 ++ {0.0} {} {L594.CD2} 25.11216 0.08289 0.23498 ++ {0.0} {} 0.0 226.8006 0 {} 0 0 0
59 {L594.HD11} -0.13541 0.03721 0.09473 ++ {0.0} {} {L594.CD1} 24.00010 0.11697 0.41713 ++ {0.0} {} 0.0 227.2365 0 {} 0 0 0
60 {I606.HD11} -0.60739 0.04077 0.09196 ++ {0.0} {} {I606.CD1} 13.20735 0.10455 0.22292 ++ {0.0} {} 0.0 105.4390 0 {} 0 0 0
61 {I565.HG21} 1.13291 0.04749 0.06810 ++ {0.0} {} {I565.CG2} 17.93048 0.31470 0.48382 ++ {0.0} {} 0.0 4.3864 0 {} 0 0 0
62 {V656.HG21} 0.45515 0.03972 0.05878 ++ {0.0} {} {V656.CG2} 22.20201 0.06674 0.09541 ++ {0.0} {} 0.0 163.2579 0 {} 0 0 0
63 {V537.HG21} 0.42664 0.03881 0.04080 ++ {0.0} {} {V537.CG1} 23.47433 0.07959 0.08349 ++ {0.0} {} 0.0 97.9305 0 {} 0 0 0
64 {V598.HG11} 0.55700 0.03881 0.04080 ++ {0.0} {} {V598.CG1} 23.55521 0.07959 0.08349 ++ {0.0} {} 0.0 97.9305 0 {} 0 0 0
65 {I482.HD21} 0.79953 0.05273 0.05702 ++ {0.0} {} {I482.CD2} 17.93914 0.29068 0.32395 ++ {0.0} {} 0.0 11.0402 0 {} 0 0 0
66 {V651.HG21} 0.90592 0.04710 0.05668 ++ {0.0} {} {V651.CG1} 21.53877 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0
67 {T564.HG21} 1.00124 0.04710 0.05668 ++ {0.0} {} {T564.CG2} 21.45953 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0
68 {V626.HG21} 0.83991 0.04710 0.05668 ++ {0.0} {} {V626.CG2} 22.11143 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0
69 {V508.HG21} 0.96529 0.04710 0.05668 ++ {0.0} {} {V508.CG2} 21.35863 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0
70 {V531.HG21} 0.98589 0.04710 0.05668 ++ {0.0} {} {V531.CG2} 21.26934 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0
71 {V469.HG11} 0.69282 0.04083 0.05942 ++ {0.0} {} {V469.CG1} 21.75070 0.14305 0.20386 ++ {0.0} {} 0.0 45.3283 0 {} 0 0 0
72 {V532.HG11} 1.03839 0.05011 0.06982 ++ {0.0} {} {V532.CG1} 21.97343 0.14069 0.18667 ++ {0.0} {} 0.0 43.6604 0 {} 0 0 0
73 {A607.HB1} 1.32317 0.04946 0.04161 ++ {0.0} {} {A607.CB} 22.00985 0.54703 0.49428 ++ {0.0} {} 0.0 6.6121 0 {} 0 0 0
74 {V513.HG21} 0.97573 0.03183 0.07386 ++ {0.0} {} {V513.CG2} 21.59949 0.09682 0.22325 ++ {0.0} {} 0.0 222.0680 0 {} 0 0 0
75 {L480.HD11} 0.10662 0.04087 0.07759 ++ {0.0} {} {L48.CD1} 20.76982 0.08771 0.20096 ++ {0.0} {} 0.0 131.2810 0 {} 0 0 0
76 {L627.HD21} 0.21670 0.03812 0.06102 ++ {0.0} {} {L627.CD2} 23.00603 0.10704 0.18048 ++ {0.0} {} 0.0 53.1351 0 {} 0 0 0
77 {L639.HD11} 0.45456 0.03881 0.05968 ++ {0.0} {} {L639.CD1} 23.54540 0.07959 0.12043 ++ {0.0} {} 0.0 97.9305 0 {} 0 0 0
78 {T579.HG21} 0.94875 0.03957 0.04450 ++ {0.0} {} {T579.CG2} 23.23119 0.16865 0.18315 ++ {0.0} {} 0.0 85.5536 0 {} 0 0 0
79 {V488.HG11} 0.89414 0.03957 0.04450 ++ {0.0} {} {V488.CG1} 23.09757 0.16865 0.18315 ++ {0.0} {} 0.0 85.5536 0 {} 0 0 0
80 {L538.HD21} 1.02462 0.03272 0.05686 ++ {0.0} {} {L538.CD1} 24.93345 0.09565 0.17251 ++ {0.0} {} 0.0 183.3560 0 {} 0 0 0
81 {V488.HG21} 0.45850 0.03972 0.06384 ++ {0.0} {} {V488.CG2} 22.08135 0.06674 0.10302 ++ {0.0} {} 0.0 163.2580 0 {} 0 0 0
82 {A568.HB1} 1.45901 0.05055 0.04902 ++ {0.0} {} {A568.CB} 19.26295 0.52953 0.51505 ++ {0.0} {} 0.0 4.9338 0 {} 0 0 0
83 {L463.HD11} 0.91947 0.04060 0.03759 ++ {0.0} {} {L463.CD1} 25.40611 0.12204 0.11357 ++ {0.0} {} 0.0 28.5366 0 {} 0 0 0
84 {V491.HG21} 1.00867 0.07628 0.10897 ++ {0.0} {} {V491.CG2} 21.31830 0.34395 0.18522 ++ {0.0} {} 0.0 23.8916 0 {} 0 0 0
85 {V492.HG21} 0.96883 0.03660 0.01792 ++ {0.0} {} {V492.CG2} 21.99310 0.16578 0.10117 ++ {0.0} {} 0.0 39.8126 0 {} 0 0 0
86 {L580.HD21} 0.98768 0.03054 0.08363 ++ {0.0} {} {L580.CD2} 23.69277 0.19381 0.34286 ++ {0.0} {} 0.0 207.4970 0 {} 0 0 0
87 {V502.HG21} 0.81115 0.03101 0.06672 ++ {0.0} {} {V502.CD2} 22.46157 0.12153 0.19904 ++ {0.0} {} 0.0 204.9550 0 {} 0 0 0
88 {V532.HG21} 0.84570 0.04083 0.03875 ++ {0.0} {} {V532.CG2} 22.18390 0.14305 0.13620 ++ {0.0} {} 0.0 45.3283 0 {} 0 0 0
89 {L639.HD11} 0.05680 0.04257 0.05340 ++ {0.0} {} {L639.CD1} 26.94534 0.07102 0.09376 ++ {0.0} {} 0.0 70.1462 0 {} 0 0 0
90 {V641.HG21} 0.41614 0.04234 0.06625 ++ {0.0} {} {V641.CG1} 21.79003 0.08317 0.15129 ++ {0.0} {} 0.0 329.2690 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 2
2 . . N 15 Nitrogen . 'not observed' . ppm . . . . . . 53625 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
1 $software_1 . . 53625 2
stop_
save_