Content for NMR-STAR saveframe, "spectral_peak_list_8"
save_spectral_peak_list_8
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_8
_Spectral_peak_list.Entry_ID 31056
_Spectral_peak_list.ID 8
_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 9
_Spectral_peak_list.Experiment_name '3D HN(CA)CO'
_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
;
label dataset sw sf
HN C13 N15
UbxHD_hncaco.nv
1999.57678223 3770.10009766 1359.98901367
599.664978027 150.792999268 60.7700004578
HN.L HN.P HN.W HN.B HN.E HN.J HN.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0
0 {62.H} 7.68053 0.02902 0.05337 ++ {0.0} {i.h} {61.C} 175.43497 0.30664 0.54125 ++ {0.0} {i-1.c} {62.N} 125.29800 0.29852 0.56949 ++ {0.0} {i.n} 0.0 0.3635 1 {} 0
1 {62.H} 7.67813 0.02851 0.05175 ++ {0.0} {i.h} {62.C} 180.97060 0.32471 0.56422 ++ {0.0} {i.c} {62.N} 125.29701 0.30767 0.60341 ++ {0.0} {i.n} 0.0 0.8660 1 {} 0
2 {18.H} 8.22457 0.02412 0.04120 ++ {0.0} {i.h} {} 179.90845 0.25611 0.39666 ++ {0.0} {i-1.c} {18.N} 123.90367 0.27406 0.46717 ++ {0.0} {i.n} 0.0 0.1136 1 {} 0
3 {18.H} 8.22557 0.02205 0.04970 ++ {0.0} {i.h} {18.C} 177.64938 0.30344 0.50088 ++ {0.0} {i.c} {18.N} 123.89788 0.28312 0.53421 ++ {0.0} {i.n} 0.0 0.2966 1 {} 0
4 {54.H} 8.16342 0.03337 0.05942 ++ {0.0} {i.h} {54.C} 179.41980 0.32181 0.52065 ++ {0.0} {i.c} {54.N} 123.17066 0.32078 0.57166 ++ {0.0} {i.n} 0.0 0.1540 1 {} 0
5 {30.H} 8.84482 0.03473 0.04577 ++ {0.0} {i.h} {30.C} 178.10641 0.33537 0.47626 ++ {0.0} {i.c} {30.N} 122.83998 0.30141 0.48045 ++ {0.0} {i.n} 0.0 0.1033 1 {} 0
6 {8.H} 8.55829 0.02930 0.05753 ++ {0.0} {i.h} {8.C} 175.57780 0.26160 0.40503 ++ {0.0} {i.c} {8.N} 122.48947 0.26455 0.46603 ++ {0.0} {i.n} 0.0 0.1759 1 {} 0
7 {61.H} 8.32619 0.03451 0.07052 ++ {0.0} {i.h} {61.C} 175.40836 0.30539 0.51529 ++ {0.0} {i.c} {61.N} 122.50278 0.28484 0.54360 ++ {0.0} {i.n} 0.0 0.4582 1 {} 0
8 {61.H} 8.32004 0.01975 0.02821 ++ {0.0} {i.h} {} 176.30602 0.30637 0.42169 ++ {0.0} {i-1.c} {61.N} 122.49551 0.30228 0.51868 ++ {0.0} {i.n} 0.0 0.1476 1 {} 0
9 {50.H} 8.12300 0.02765 0.03950 ++ {0.0} {i.h} {50.C} 180.16544 0.32728 0.52618 ++ {0.0} {i.c} {50.N} 122.43631 0.33137 0.59916 ++ {0.0} {i.n} 0.0 0.0896 1 {} 0
10 {22.H} 9.01844 0.02765 0.03950 ++ {0.0} {i.h} {22.C} 176.13571 0.30707 0.52378 ++ {0.0} {i.c} {22.N} 121.44621 0.28334 0.54150 ++ {0.0} {i.n} 0.0 0.1547 1 {} 0
11 {60.H} 8.11771 0.03873 0.08119 ++ {0.0} {i.h} {} 176.41068 0.29327 0.54498 ++ {0.0} {i-1.c} {60.N} 121.11013 0.33113 0.63923 ++ {0.0} {i.n} 0.0 0.3088 1 {} 0
12 {21.H} 7.86550 0.01255 0.03950 ++ {0.0} {i.h} {} 179.60657 0.35079 0.55098 ++ {0.0} {i-1.c} {21.N} 121.11982 0.27845 0.50146 ++ {0.0} {i.n} 0.0 0.0552 1 {} 0
13 {47.H} 7.99897 0.02921 0.05079 ++ {0.0} {i.h} {47.C} 177.02715 0.30106 0.49139 ++ {0.0} {i.c} {47.N} 120.76968 0.33216 0.60969 ++ {0.0} {i.n} 0.0 0.1632 1 {} 0
14 {7.H} 8.29490 0.02765 0.03950 ++ {0.0} {i.h} {} 173.82362 0.34030 0.50703 ++ {0.0} {i-1.c} {7.N} 120.75497 0.28936 0.48888 ++ {0.0} {i.n} 0.0 0.0864 1 {} 0
15 {7.H} 8.29544 0.03217 0.09020 ++ {0.0} {i.h} {7.C} 176.34337 0.26150 0.42513 ++ {0.0} {i.c} {7.N} 120.74331 0.28038 0.51834 ++ {0.0} {i.n} 0.0 0.1774 1 {} 0
16 {10.H} 8.17862 0.03618 0.09546 ++ {0.0} {i.h} {10.C} 176.89455 0.30474 0.49085 ++ {0.0} {i.c} {10.N} 120.75632 0.28691 0.51519 ++ {0.0} {i.n} 0.0 0.3207 1 {} 0
17 {10.H} 8.18219 0.03357 0.03950 ++ {0.0} {i.h} {9.C} 173.40668 0.29755 0.33942 ++ {0.0} {i-1.c} {10.N} 120.74109 0.27174 0.34850 ++ {0.0} {i.n} 0.0 0.0913 1 {} 0
18 {44.H} 9.16265 0.01763 0.02707 ++ {0.0} {i.h} {} 176.30202 0.25453 0.33595 ++ {0.0} {i-1.c} {44.N} 120.40609 0.27700 0.39994 ++ {0.0} {i.n} 0.0 0.1178 1 {} 0
19 {33.H} 8.46361 0.02763 0.06207 ++ {0.0} {i.h} {32.C} 177.94672 0.29542 0.53577 ++ {0.0} {i-1.c} {33.N} 120.38864 0.30176 0.57519 ++ {0.0} {i.n} 0.0 0.2859 1 {} 0
20 {20.H} 7.94665 0.02137 0.03950 ++ {0.0} {i.h} {19.C} 179.70520 0.32265 0.52877 ++ {0.0} {i-1.c} {20.N} 120.37830 0.32697 0.62313 ++ {0.0} {i.n} 0.0 0.2278 1 {} 0
21 {53.H} 8.31951 0.00890 0.01693 ++ {0.0} {i.h} {52.C} 178.81876 0.20665 0.27794 ++ {0.0} {i-1.c} {53.N} 117.96095 0.26316 0.34711 ++ {0.0} {i.n} 0.0 0.0394 1 {} 0
22 {56.H} 7.47757 0.02489 0.03569 ++ {0.0} {i.h} {55.C} 178.94679 0.31213 0.37705 ++ {0.0} {i-1.c} {56.N} 117.96910 0.29795 0.38875 ++ {0.0} {i.n} 0.0 0.0603 1 {} 0
23 {56.H} 7.47805 0.01975 0.02821 ++ {0.0} {i.h} {56.C} 177.49881 0.31324 0.47909 ++ {0.0} {i.c} {56.N} 117.95296 0.28504 0.51130 ++ {0.0} {i.n} 0.0 0.2034 1 {} 0
24 {46.H} 8.05526 0.02581 0.10352 ++ {0.0} {i.h} {46.C} 180.38657 0.28952 0.46382 ++ {0.0} {i.c} {46.N} 117.60334 0.28272 0.51584 ++ {0.0} {i.n} 0.0 0.2390 1 {} 0
25 {55.H} 7.93808 0.02108 0.03950 ++ {0.0} {i.h} {55.C} 178.92561 0.34318 0.51011 ++ {0.0} {i.c} {55.N} 117.59562 0.30259 0.50620 ++ {0.0} {i.n} 0.0 0.1282 1 {} 0
26 {41.H} 7.96279 0.02729 0.06156 ++ {0.0} {i.h} {41.C} 173.71594 0.29411 0.43450 ++ {0.0} {i.c} {41.N} 117.26115 0.27815 0.48614 ++ {0.0} {i.n} 0.0 0.1663 1 {} 0
27 {41.H} 7.96559 0.03469 0.03787 ++ {0.0} {i.h} {40.C} 176.55460 0.29254 0.31707 ++ {0.0} {i-1.c} {41.N} 117.25340 0.28232 0.31923 ++ {0.0} {i.n} 0.0 0.0483 1 {} 0
28 {27.H} 7.93736 0.01725 0.02259 ++ {0.0} {i.h} {26.C} 173.12778 0.30878 0.37587 ++ {0.0} {i-1.c} {27.N} 114.79684 0.27253 0.37794 ++ {0.0} {i.n} 0.0 0.0684 1 {} 0
29 {24.H} 7.68763 0.02876 0.05721 ++ {0.0} {i.h} {24.C} 174.00076 0.30499 0.48894 ++ {0.0} {i.c} {24.N} 114.44619 0.28592 0.52977 ++ {0.0} {i.n} 0.0 0.2850 1 {} 0
30 {24.H} 7.68970 0.03099 0.04187 ++ {0.0} {i.h} {23.C} 176.91554 0.28971 0.40027 ++ {0.0} {i-1.c} {24.N} 114.44675 0.27025 0.41860 ++ {0.0} {i.n} 0.0 0.0930 1 {} 0
31 {23.H} 8.03336 0.01612 0.02283 ++ {0.0} {i.h} {} 176.06163 0.29464 0.40198 ++ {0.0} {i-1.c} {23.N} 113.75584 0.28373 0.44743 ++ {0.0} {i.n} 0.0 0.0991 1 {} 0
32 {15.H} 8.52660 0.01798 0.03134 ++ {0.0} {i.h} {} 177.45366 0.27131 0.40248 ++ {0.0} {i-1.c} {15.N} 113.42563 0.26154 0.43236 ++ {0.0} {i.n} 0.0 0.1209 1 {} 0
33 {15.H} 8.52891 0.02311 0.03818 ++ {0.0} {i.h} {15.C} 175.48904 0.27937 0.44240 ++ {0.0} {i.c} {15.N} 113.40830 0.29570 0.52573 ++ {0.0} {i.n} 0.0 0.1889 1 {} 0
34 {40.H} 8.50257 0.03199 0.05978 ++ {0.0} {i.h} {40.C} 176.55440 0.32303 0.51202 ++ {0.0} {i.c} {40.N} 113.05878 0.30328 0.56018 ++ {0.0} {i.n} 0.0 0.2194 1 {} 0
35 {40.H} 8.50171 0.02684 0.04359 ++ {0.0} {i.h} {} 179.73540 0.28521 0.40808 ++ {0.0} {i-1.c} {40.N} 113.05694 0.28844 0.47135 ++ {0.0} {i.n} 0.0 0.0917 1 {} 0
36 {29.H} 7.71643 0.02447 0.05482 ++ {0.0} {i.h} {29.C} 175.09885 0.28253 0.49739 ++ {0.0} {i.c} {29.N} 111.99953 0.28792 0.53736 ++ {0.0} {i.n} 0.0 0.3138 1 {} 0
37 {29.H} 7.71870 0.02662 0.04518 ++ {0.0} {i.h} {28.C} 178.56873 0.29534 0.44401 ++ {0.0} {i-1.c} {29.N} 112.00388 0.29591 0.49170 ++ {0.0} {i.n} 0.0 0.1240 1 {} 0
38 {6.H} 8.47097 0.02547 0.03826 ++ {0.0} {i.h} {6.C} 173.89407 0.30916 0.42815 ++ {0.0} {i.c} {6.N} 110.55028 0.33455 0.53411 ++ {0.0} {i.n} 0.0 0.1040 1 {} 0
39 {37.H} 8.47444 0.02456 0.04459 ++ {0.0} {i.h} {37.C} 180.11571 0.30793 0.45845 ++ {0.0} {i.c} {37.N} 123.59993 0.35020 0.62143 ++ {0.0} {i.n} 0.0 0.1860 0 {} 0
40 {37.H} 8.46906 0.01701 0.02240 ++ {0.0} {i.h} {} 177.43787 0.24025 0.30839 ++ {0.0} {i-1.c} {37.N} 123.54680 0.29792 0.41277 ++ {0.0} {i.n} 0.0 0.0683 0 {} 0
41 {3.H} 8.51381 0.02361 0.02155 ++ {0.0} {i.h} {} 174.41623 0.28468 0.26248 ++ {0.0} {i-1.c} {3.N} 124.23310 0.36327 0.32720 ++ {0.0} {i.n} 0.0 0.0195 0 {} 0
42 {54.H} 8.16508 0.00638 0.02207 ++ {0.0} {i.h} {53.C} 177.73512 0.24560 0.34405 ++ {0.0} {i-1.c} {54.N} 123.14311 0.25201 0.38689 ++ {0.0} {i.n} 0.0 0.0462 0 {} 0
43 {30.H} 8.85835 0.03476 0.04418 ++ {0.0} {i.h} {29.C} 175.13208 0.27387 0.41562 ++ {0.0} {i-1.c} {30.N} 122.83528 0.30010 0.50013 ++ {0.0} {i.n} 0.0 0.0644 0 {} 0
44 {50.H} 8.13981 0.01652 0.03336 ++ {0.0} {i.h} {49.C} 177.59317 0.26119 0.38507 ++ {0.0} {i-1.c} {50.N} 122.16894 0.28148 0.43938 ++ {0.0} {i.n} 0.0 0.0489 0 {} 0
45 {28.H} 8.37924 0.04582 0.06118 ++ {0.0} {i.h} {} 174.69894 0.31354 0.49896 ++ {0.0} {i-1.c} {28.N} 121.80264 0.28781 0.49594 ++ {0.0} {i.n} 0.0 0.0776 0 {} 0
46 {28.H} 8.37764 0.04206 0.08667 ++ {0.0} {i.h} {28.C} 178.56393 0.30354 0.49460 ++ {0.0} {i.c} {28.N} 121.80242 0.28798 0.53481 ++ {0.0} {i.n} 0.0 0.1503 0 {} 0
47 {48.H} 8.59713 0.02346 0.02922 ++ {0.0} {i.h} {} 176.87082 0.29728 0.41719 ++ {0.0} {i-1.c} {48.N} 121.76598 0.26917 0.43097 ++ {0.0} {i.n} 0.0 0.0538 0 {} 0
48 {48.H} 8.59902 0.01185 0.01693 ++ {0.0} {i.h} {48.C} 180.36314 0.29618 0.47130 ++ {0.0} {i.c} {48.N} 121.78217 0.32463 0.59371 ++ {0.0} {i.n} 0.0 0.1255 0 {} 0
49 {22.H} 9.01278 0.02765 0.03950 ++ {0.0} {i.h} {21.C} 178.63150 0.29544 0.40757 ++ {0.0} {i-1.c} {22.N} 121.45987 0.28091 0.43363 ++ {0.0} {i.n} 0.0 0.0471 0 {} 0
50 {21.H} 7.87228 0.02593 0.08413 ++ {0.0} {i.h} {21.C} 178.63075 0.29405 0.47083 ++ {0.0} {i.c} {21.N} 121.09376 0.27350 0.49415 ++ {0.0} {i.n} 0.0 0.2171 0 {} 0
51 {39.H} 8.25544 0.01110 0.05956 ++ {0.0} {i.h} {} 178.04608 0.30305 0.44413 ++ {0.0} {i-1.c} {39.N} 121.09084 0.26711 0.42389 ++ {0.0} {i.n} 0.0 0.0520 0 {} 0
52 {47.H} 7.99738 0.01769 0.04295 ++ {0.0} {i.h} {46.C} 180.41573 0.27904 0.39945 ++ {0.0} {i-1.c} {47.N} 120.76911 0.31428 0.51810 ++ {0.0} {i.n} 0.0 0.0611 0 {} 0
53 {44.H} 9.16682 0.02521 0.05079 ++ {0.0} {i.h} {44.C} 178.61005 0.31849 0.54243 ++ {0.0} {i.c} {44.N} 120.41042 0.30647 0.57002 ++ {0.0} {i.n} 0.0 0.1533 0 {} 0
54 {35.H} 7.89655 0.02593 0.08964 ++ {0.0} {i.h} {} 178.35904 0.29405 0.50540 ++ {0.0} {i-1.c} {35.N} 120.39970 0.27350 0.51994 ++ {0.0} {i.n} 0.0 0.2171 0 {} 0
55 {35.H} 7.89833 0.01517 0.05079 ++ {0.0} {i.h} {35.C} 180.72461 0.28444 0.49849 ++ {0.0} {i.c} {35.N} 120.39951 0.27398 0.52983 ++ {0.0} {i.n} 0.0 0.3245 0 {} 0
56 {20.H} 7.93099 0.01649 0.02750 ++ {0.0} {i.h} {} 180.65164 0.29618 0.44208 ++ {0.0} {i.c} {20.N} 120.41043 0.29121 0.52397 ++ {0.0} {i.n} 0.0 0.1070 0 {} 0
57 {59.H} 7.90275 0.02741 0.06207 ++ {0.0} {i.h} {59.C} 176.49977 0.22633 0.37763 ++ {0.0} {i.c} {59.N} 120.03323 0.31982 0.59297 ++ {0.0} {i.n} 0.0 0.1471 0 {} 0
58 {59.H} 7.89500 0.01010 0.02448 ++ {0.0} {i.h} {} 177.41443 0.29291 0.37709 ++ {0.0} {i-1.c} {59.N} 120.04247 0.29277 0.46695 ++ {0.0} {i.n} 0.0 0.0530 0 {} 0
59 {58.H} 7.50438 0.03555 0.05079 ++ {0.0} {i.h} {} 177.50784 0.27281 0.36678 ++ {0.0} {i-1.c} {58.N} 120.01554 0.32174 0.47080 ++ {0.0} {i.n} 0.0 0.1526 0 {} 0
60 {42.H} 8.20033 0.04837 0.07827 ++ {0.0} {i.h} {} 176.20183 0.29246 0.40291 ++ {0.0} {i.c} {42.N} 119.71490 0.27550 0.43192 ++ {0.0} {i.n} 0.0 0.1895 0 {} 0
61 {42.H} 8.19634 0.01844 0.01640 ++ {0.0} {i.h} {41.C} 173.75932 0.23943 0.21720 ++ {0.0} {i-1.c} {42.N} 119.70557 0.24437 0.20869 ++ {0.0} {i.n} 0.0 0.0715 0 {} 0
62 {49.H} 8.69592 0.02485 0.04177 ++ {0.0} {i.h} {49.C} 177.57896 0.32070 0.46549 ++ {0.0} {i.c} {49.N} 119.70040 0.29929 0.49818 ++ {0.0} {i.n} 0.0 0.2442 0 {} 0
63 {49.H} 8.70580 0.02141 0.02425 ++ {0.0} {i.h} {} 180.29826 0.28763 0.21591 ++ {0.0} {i-1.c} {49.N} 119.68536 0.26414 0.14750 ++ {0.0} {i.n} 0.0 0.0568 0 {} 0
64 {25.H} 8.48373 0.02765 0.03950 ++ {0.0} {i.h} {} 173.85869 0.26441 0.36754 ++ {0.0} {i-1.c} {25.N} 119.36495 0.29865 0.46077 ++ {0.0} {i.n} 0.0 0.1792 0 {} 0
65 {51.H} 8.93094 0.05135 0.07336 ++ {0.0} {i.h} {51.C} 177.67050 0.28587 0.46452 ++ {0.0} {i.c} {51.N} 119.33720 0.30575 0.55308 ++ {0.0} {i.n} 0.0 0.1124 0 {} 0
66 {51.H} 8.96742 0.02403 0.02964 ++ {0.0} {i.h} {} 180.26653 0.29130 0.40727 ++ {0.0} {i-1.c} {51.N} 119.33224 0.29687 0.41307 ++ {0.0} {i.n} 0.0 0.0353 0 {} 0
67 {26.H} 8.63760 0.03555 0.05079 ++ {0.0} {i.h} {26.C} 173.14154 0.27512 0.45191 ++ {0.0} {i.c} {26.N} 119.00546 0.29299 0.53766 ++ {0.0} {i.n} 0.0 0.1042 0 {} 0
68 {36.H} 8.71642 0.02765 0.03950 ++ {0.0} {i.h} {} 177.51425 0.30507 0.50290 ++ {0.0} {i.c} {36.N} 119.71825 0.26945 0.50297 ++ {0.0} {i.n} 0.0 0.2013 0 {} 0
69 {36.H} 8.70307 0.01446 0.03929 ++ {0.0} {i.h} {} 180.79375 0.24718 0.37250 ++ {0.0} {i-1.c} {36.N} 119.00257 0.27754 0.44790 ++ {0.0} {i.n} 0.0 0.0695 0 {} 0
70 {34.H} 8.09393 0.02422 0.05034 ++ {0.0} {i.h} {} 178.25389 0.36960 0.59647 ++ {0.0} {i.c} {34.N} 118.99768 0.30803 0.56457 ++ {0.0} {i.n} 0.0 0.1606 0 {} 0
71 {45.H} 8.30654 0.01233 0.03002 ++ {0.0} {i.h} {44.C} 178.62280 0.29045 0.37453 ++ {0.0} {i-1.c} {45.N} 118.66244 0.26096 0.40573 ++ {0.0} {i.n} 0.0 0.0603 0 {} 0
72 {17.H} 7.68396 0.02697 0.05079 ++ {0.0} {i.h} {17.C} 179.85728 0.29018 0.47054 ++ {0.0} {i.c} {17.N} 118.64826 0.28480 0.53512 ++ {0.0} {i.n} 0.0 0.2217 0 {} 0
73 {17.H} 7.68515 0.01788 0.03950 ++ {0.0} {i.h} {16.C} 180.54527 0.23631 0.37889 ++ {0.0} {i-1.c} {17.N} 118.63563 0.25853 0.46464 ++ {0.0} {i.n} 0.0 0.0542 0 {} 0
74 {13.H} 8.38387 0.03148 0.05079 ++ {0.0} {i.h} {13.C} 177.03885 0.28317 0.45839 ++ {0.0} {i.c} {13.N} 118.28927 0.30911 0.56649 ++ {0.0} {i.n} 0.0 0.1604 0 {} 0
75 {57.H} 7.34563 0.02765 0.03950 ++ {0.0} {i.h} {} 177.31198 0.33836 0.57004 ++ {0.0} {i-1.c} {57.N} 118.29578 0.30339 0.57254 ++ {0.0} {i.n} 0.0 0.2378 0 {} 0
76 {53.H} 8.32578 0.02349 0.03950 ++ {0.0} {i.h} {53.C} 177.72295 0.29690 0.52848 ++ {0.0} {i.c} {53.N} 117.95200 0.28857 0.53944 ++ {0.0} {i.n} 0.0 0.2055 0 {} 0
77 {46.H} 8.04474 0.01975 0.02821 ++ {0.0} {i.h} {45.C} 177.95166 0.29024 0.41269 ++ {0.0} {i-1.c} {46.N} 117.60261 0.26836 0.43259 ++ {0.0} {i.n} 0.0 0.0692 0 {} 0
78 {9.H} 8.17000 0.01378 0.02083 ++ {0.0} {i.h} {8.C} 175.60152 0.29224 0.35625 ++ {0.0} {i-1.c} {9.N} 117.28657 0.25379 0.36422 ++ {0.0} {i.n} 0.0 0.0475 0 {} 0
79 {9.H} 8.16227 0.00841 0.07227 ++ {0.0} {i.h} {9.C} 173.42017 0.28863 0.40903 ++ {0.0} {i.c} {9.N} 117.25609 0.26263 0.45447 ++ {0.0} {i.n} 0.0 0.0996 0 {} 0
80 {31.H} 8.35249 0.02765 0.03950 ++ {0.0} {i.h} {31.C} 178.50491 0.38695 0.63281 ++ {0.0} {i.c} {31.N} 116.19547 0.29939 0.55544 ++ {0.0} {i.n} 0.0 0.1854 0 {} 0
81 {14.H} 7.72450 0.04484 0.06239 ++ {0.0} {i.h} {} 177.04875 0.42082 0.63180 ++ {0.0} {i.c} {14.N} 115.86515 0.33662 0.58886 ++ {0.0} {i.n} 0.0 0.1071 0 {} 0
82 {27.H} 7.94110 0.02975 0.06967 ++ {0.0} {i.h} {27.C} 174.60539 0.28232 0.48396 ++ {0.0} {i.c} {27.N} 114.81410 0.28100 0.53111 ++ {0.0} {i.n} 0.0 0.3051 0 {} 0
83 {11.H} 9.21667 0.01126 0.02199 ++ {0.0} {i.h} {10.C} 176.88321 0.26641 0.36008 ++ {0.0} {i-1.c} {11.N} 114.43898 0.25037 0.41043 ++ {0.0} {i.n} 0.0 0.0930 0 {} 0
84 {11.H} 9.21342 0.02175 0.05361 ++ {0.0} {i.h} {11.C} 175.66620 0.29992 0.49566 ++ {0.0} {i.c} {11.N} 114.45811 0.29175 0.53794 ++ {0.0} {i.n} 0.0 0.2148 0 {} 0
85 {38.H} 7.89446 0.02184 0.03809 ++ {0.0} {i.h} {37.C} 180.14526 0.32464 0.46530 ++ {0.0} {i-1.c} {38.N} 114.43522 0.30058 0.49757 ++ {0.0} {i.n} 0.0 0.0974 0 {} 0
86 {38.H} 7.89414 0.02367 0.05635 ++ {0.0} {i.h} {38.C} 177.88893 0.31570 0.51923 ++ {0.0} {i.c} {38.N} 114.44806 0.31503 0.59290 ++ {0.0} {i.n} 0.0 0.2844 0 {} 0
87 {23.H} 8.03726 0.02377 0.04747 ++ {0.0} {i.h} {23.C} 176.90407 0.34355 0.58872 ++ {0.0} {i.c} {23.N} 113.76637 0.31719 0.59725 ++ {0.0} {i.n} 0.0 0.2867 0 {} 0
88 {43.H} 8.78832 0.02074 0.02145 ++ {0.0} {i.h} {} 176.25851 0.26273 0.27029 ++ {0.0} {i-1.c} {43.N} 109.22555 0.32443 0.33782 ++ {0.0} {i.n} 0.0 0.2086 0 {} 0
89 {13.H} 8.40691 0.02223 0.02821 ++ {0.0} {i.h} {12.C} 178.00369 0.29590 0.32791 ++ {0.0} {i-1.c} {13.N} 118.28664 0.26923 0.31906 ++ {0.0} {i.n} 0.0 0.0515 0 {} 0
90 {39.H} 8.25403 0.01893 0.09769 ++ {0.0} {i.h} {} 179.60831 0.28034 0.44014 ++ {0.0} {i.c} {39.N} 121.10600 0.27418 0.51725 ++ {0.0} {i.n} 0.0 0.2957 0 {} 0
91 {32.H} 7.76491 0.03336 0.04766 ++ {0.0} {i.h} {32.C} 177.97546 0.33049 0.45554 ++ {0.0} {i.c} {32.N} 119.38796 0.33451 0.52336 ++ {0.0} {i.n} 0.0 0.0771 0 {} 0
92 {52.H} 8.23548 0.01796 0.03950 ++ {0.0} {i.h} {52.C} 178.82616 0.26050 0.40050 ++ {0.0} {i.c} {52.N} 118.99606 0.26383 0.45961 ++ {0.0} {i.n} 0.0 0.2033 0 {} 0
93 {52.H} 8.23595 0.02362 0.03370 ++ {0.0} {i.h} {51.C} 177.69987 0.33878 0.45203 ++ {0.0} {i-1.c} {52.N} 119.00362 0.27256 0.42909 ++ {0.0} {i.n} 0.0 0.1232 0 {} 0
94 {19.H} 8.22030 0.01867 0.03134 ++ {0.0} {i.h} {19.C} 179.66513 0.32647 0.44070 ++ {0.0} {i.c} {19.N} 118.98869 0.30882 0.50355 ++ {0.0} {i.n} 0.0 0.1419 0 {} 0
95 {19.H} 8.24952 0.01837 0.03950 ++ {0.0} {i.h} {18.C} 177.65825 0.31970 0.42056 ++ {0.0} {i-1.c} {19.N} 118.99008 0.26751 0.41566 ++ {0.0} {i.n} 0.0 0.1175 0 {} 0
96 {45.H} 8.30516 0.02228 0.03950 ++ {0.0} {i.h} {45.C} 177.95129 0.28284 0.47913 ++ {0.0} {i.c} {45.N} 118.63666 0.29860 0.52581 ++ {0.0} {i.n} 0.0 0.2193 0 {} 0
97 {16.H} 8.23152 0.01380 0.01749 ++ {0.0} {i.h} {15.C} 175.47513 0.27868 0.31498 ++ {0.0} {i-1.c} {16.N} 121.10354 0.27054 0.32313 ++ {0.0} {i.n} 0.0 0.0651 0 {} 0
98 {16.H} 8.23147 0.02378 0.05079 ++ {0.0} {i.h} {16.C} 180.59291 0.28952 0.46492 ++ {0.0} {i.c} {16.N} 121.10485 0.27761 0.50616 ++ {0.0} {i.n} 0.0 0.2967 0 {} 0
99 {25.H} 8.46998 0.02765 0.03950 ++ {0.0} {i.h} {25.C} 173.15674 0.26441 0.44805 ++ {0.0} {i.c} {25.N} 119.36495 0.29865 0.56866 ++ {0.0} {i.n} 0.0 0.1792 0 {} 0
100 {4.H} 8.50119 0.02182 0.05153 ++ {0.0} {i.h} {} 176.72566 0.25236 0.45005 ++ {0.0} {i.c} {4.N} 123.19498 0.25586 0.46384 ++ {0.0} {i.n} 0.0 0.1793 0 {} 0
101 {6.H} 8.45895 0.00753 0.02499 ++ {0.0} {i.h} {} 176.69083 0.31316 0.41154 ++ {0.0} {i.c} {6.N} 110.49799 0.26855 0.41003 ++ {0.0} {i.n} 0.0 0.0290 0 {} 0
102 {3.H} 8.50827 0.01975 0.02821 ++ {0.0} {i.h} {} 176.15672 0.37556 0.58253 ++ {0.0} {i.c} {3.N} 123.56540 0.38359 0.70403 ++ {0.0} {i.n} 0.0 0.1630 0 {} 0
103 {5.H} 8.50106 0.03494 0.07950 ++ {0.0} {i.h} {} 176.29599 0.28112 0.43266 ++ {0.0} {i.c} {5.N} 123.53864 0.33022 0.62622 ++ {0.0} {i.n} 0.0 0.1657 0 {} 0
104 {12.H} 9.09452 0.01102 0.02106 ++ {0.0} {i.h} {} 175.59216 0.25339 0.40200 ++ {0.0} {i-1.c} {12.N} 123.20786 0.27850 0.45088 ++ {0.0} {i.n} 0.0 0.0289 0 {} 0
105 {12.H} 9.08859 0.01680 0.03509 ++ {0.0} {i.h} {12.C} 178.04839 0.26998 0.42928 ++ {0.0} {i.c} {12.N} 123.23833 0.28687 0.48749 ++ {0.0} {i.n} 0.0 0.0366 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 HN . 'not observed' 6300 Hz . . . 4.776 . . 31056 8
2 . . C 13 CO . 'not observed' 3770 Hz . . . 56.000 . . 31056 8
3 . . N 15 N . 'not observed' 1360 Hz . . . 119.001 . . 31056 8
stop_
save_