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 30650
_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 1
_Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY'
_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 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
1Hx 1Hy
tocsy602.nv
6009.61523437 6009.61523437
500.131988525 500.131988525
1Hx.L 1Hx.P 1Hx.W 1Hx.B 1Hx.E 1Hx.J 1Hx.U 1Hy.L 1Hy.P 1Hy.W 1Hy.B 1Hy.E 1Hy.J 1Hy.U vol int stat comment flag0
0 {13.HB1} 4.28567 0.01636 0.01109 ++ {0.0} {} {13.HA} 4.61505 0.03436 0.02843 ++ {0.0} {} 0.0 16.9545 0 {} 0
1 {13.HB2} 4.21210 0.00585 0.01090 ++ {0.0} {} {13.HA} 4.61834 0.05792 0.04886 ++ {0.0} {} 0.0 17.3681 0 {} 0
2 {3.HN} 8.49940 0.06551 0.07064 ++ {0.0} {} {3.HA} 4.40648 0.05262 0.08765 ++ {0.0} {} 0.0 17.6180 0 {} 0
3 {4.HN} 8.06210 0.03032 0.04991 ++ {0.0} {} {4.HA} 4.34134 0.03496 0.07798 ++ {0.0} {} 0.0 13.6271 0 {} 0
4 {3.HE} 7.66394 0.03652 0.05325 ++ {0.0} {} {3.HZ} 7.11151 0.03249 0.05023 ++ {0.0} {} 0.0 14.3490 0 {} 0
5 {3.HZ} 7.10303 0.02822 0.04513 ++ {0.0} {} {3.HE} 7.62684 0.03640 0.06757 ++ {0.0} {} 0.0 18.7547 0 {} 0
6 {8.HN} 8.04191 0.03403 0.05516 ++ {0.0} {} {8.HA} 4.39586 0.05629 0.04864 ++ {0.0} {} 0.0 10.2292 0 {} 0
7 {7.HN} 9.19377 0.03560 0.06584 ++ {0.0} {} {7.HA1} 3.99879 0.06455 0.10252 ++ {0.0} {} 0.0 7.2144 0 {} 0
8 {3.HE1} 10.13296 0.01639 0.05107 ++ {0.0} {} {} 7.79048 0.06383 0.11497 ++ {0.0} {} 0.0 6.7181 0 {} 0
9 {2.HN} 7.78668 0.02548 0.06400 ++ {0.0} {} {2.HA} 5.20131 0.03128 0.04152 ++ {0.0} {} 0.0 16.4231 0 {} 0
10 {2.HD22} 7.23670 0.03672 0.04841 ++ {0.0} {} {2.HD21} 7.11227 0.02954 0.04567 ++ {0.0} {} 0.0 14.3490 0 {} 0
11 {2.HD21} 7.10526 0.02973 0.04463 ++ {0.0} {} {2.HD22} 7.24649 0.03309 0.06143 ++ {0.0} {} 0.0 18.7547 0 {} 0
12 {11.HN} 8.44067 0.03560 0.03288 ++ {0.0} {} {11.HA} 3.96684 0.06455 0.09145 ++ {0.0} {} 0.0 7.2144 0 {} 0
13 {12.HN} 8.32576 0.03535 0.04419 ++ {0.0} {} {12.HA} 4.42851 0.03693 0.05508 ++ {0.0} {} 0.0 6.4970 0 {} 0
14 {7.HN} 9.18622 0.00616 0.05983 ++ {0.0} {} {7.HA1} 3.95324 0.03002 0.08907 ++ {0.0} {} 0.0 2.5628 0 {} 0
15 {2.HB2} 2.91064 0.01027 0.07271 ++ {0.0} {} {2.HA} 5.18629 0.05442 0.05648 ++ {0.0} {} 0.0 5.4463 0 {} 0
16 {2.HB1} 3.28400 0.02670 0.10158 ++ {0.0} {} {2.HA} 5.18544 0.04001 0.07407 ++ {0.0} {} 0.0 7.4074 0 {} 0
17 {10.HG21} 1.16621 0.03628 0.01873 ++ {0.0} {} {10.HA} 3.89140 0.03780 0.06491 ++ {0.0} {} 0.0 32.5301 0 {} 0
18 {10.HD11} 1.15334 0.03628 0.01691 ++ {0.0} {} {10.HA} 3.89306 0.03780 0.05950 ++ {0.0} {} 0.0 32.5301 0 {} 0
19 {11.HG12} 1.22969 0.02471 0.02722 ++ {0.0} {} {11.HA} 3.96188 0.05473 0.07844 ++ {0.0} {} 0.0 42.6334 0 {} 0
20 {11.HG12} 1.21804 0.02471 0.02102 ++ {0.0} {} {11.HA} 3.96701 0.05473 0.08328 ++ {0.0} {} 0.0 42.6334 0 {} 0
21 {13.HN} 8.05515 0.03463 0.07794 ++ {0.0} {} {13.HA} 4.61065 0.02633 0.09254 ++ {0.0} {} 0.0 28.9107 0 {} 0
22 {10.HN} 8.49418 0.03115 0.06788 ++ {0.0} {} {10.HA} 3.89033 0.05328 0.09192 ++ {0.0} {} 0.0 10.2292 0 {} 0
23 {14.HN} 8.00273 0.03912 0.10383 ++ {0.0} {} {14.HA} 4.51345 0.03365 0.10500 ++ {0.0} {} 0.0 21.8744 0 {} 0
24 {6.HN} 8.04245 0.02548 0.03311 ++ {0.0} {} {6.HA} 4.40838 0.03128 0.05318 ++ {0.0} {} 0.0 16.4231 0 {} 0
25 {5.HN} 7.76938 0.03913 0.06144 ++ {0.0} {} {5.HA} 4.14652 0.05612 0.10532 ++ {0.0} {} 0.0 8.8920 0 {} 0
26 {13.HN} 8.05218 0.02707 0.05261 ++ {0.0} {} {13.HB2} 4.22147 0.04928 0.07525 ++ {0.0} {} 0.0 6.2028 0 {} 0
27 {9.HN} 8.65597 0.04378 0.05952 ++ {0.0} {} {9.HA} 4.19918 0.07081 0.09333 ++ {0.0} {} 0.0 16.0541 0 {} 0
28 {13.HN} 8.05531 0.03448 0.04486 ++ {0.0} {} {13.HB1} 4.30009 0.10310 0.08098 ++ {0.0} {} 0.0 14.1019 0 {} 0
29 {11.HN} 8.44295 0.02220 0.02225 ++ {0.0} {} {11.HB} 2.20582 0.04510 0.05153 ++ {0.0} {} 0.0 3.2875 0 {} 0
30 {11.HB} 2.20001 0.04305 0.04627 ++ {0.0} {} {11.HA} 3.96383 0.06146 0.06879 ++ {0.0} {} 0.0 11.8192 0 {} 0
31 {12.HN} 8.32241 0.02716 0.02991 ++ {0.0} {} {12.HB1} 1.78054 0.03767 0.08496 ++ {0.0} {} 0.0 7.7347 0 {} 0
32 {14.HN} 8.00136 0.01832 0.06149 ++ {0.0} {} {14.HG} 1.82563 0.04117 0.07304 ++ {0.0} {} 0.0 5.2564 0 {} 0
33 {14.HN} 8.00637 0.04141 0.03148 ++ {0.0} {} {14.HB2} 2.06362 0.11360 0.13347 ++ {0.0} {} 0.0 5.8439 0 {} 0
34 {5.HN} 7.76788 0.00721 0.02123 ++ {0.0} {} {5.HB1} 2.04139 0.02836 0.06845 ++ {0.0} {} 0.0 3.8549 0 {} 0
35 {8.HN} 8.04406 0.00725 0.02805 ++ {0.0} {} {8.HB1} 2.34084 0.02702 0.06467 ++ {0.0} {} 0.0 3.7317 0 {} 0
36 {1.HT1} 8.50017 0.00351 0.02787 ++ {0.0} {} {1.HB} 2.05694 0.03575 0.05721 ++ {0.0} {} 0.0 3.2631 -1 {} 0
37 {10.HN} 8.49540 0.00650 0.03288 ++ {0.0} {} {10.HB} 2.35376 0.02503 0.08462 ++ {0.0} {} 0.0 3.7571 0 {} 0
38 {} 8.46003 0.00769 0.01215 ++ {0.0} {} {} 2.20373 0.03715 0.03314 ++ {0.0} {} 0.0 2.6355 -1 {} 0
39 {1.HT1} 8.49988 0.01166 0.01876 ++ {0.0} {} {1.HB} 2.06095 0.08523 0.06665 ++ {0.0} {} 0.0 2.4136 0 {} 0
40 {4.HN} 8.06385 0.01063 0.00880 ++ {0.0} {} {4.HB1} 1.98867 0.07015 0.11859 ++ {0.0} {} 0.0 2.8486 0 {} 0
41 {6.HN} 8.05565 0.01063 0.01571 ++ {0.0} {} {6.HB1} 2.02992 0.07015 0.09545 ++ {0.0} {} 0.0 2.8486 0 {} 0
42 {6.HN} 8.05664 0.01153 0.00923 ++ {0.0} {} {6.HB2} 1.96597 0.06913 0.06239 ++ {0.0} {} 0.0 2.7924 0 {} 0
43 {} 8.03361 0.00874 0.01091 ++ {0.0} {} {} 2.33964 0.06870 0.10036 ++ {0.0} {} 0.0 3.2862 -1 {} 0
44 {} 7.95809 0.00214 0.00306 ++ {0.0} {} {} 2.05220 0.04620 0.02405 ++ {0.0} {} 0.0 2.2546 -1 {} 0
45 {} 7.94385 0.00236 0.00337 ++ {0.0} {} {} 2.06141 0.01723 0.02461 ++ {0.0} {} 0.0 2.1520 -1 {} 0
46 {} 7.96226 0.01437 0.02466 ++ {0.0} {} {} 7.49598 0.05608 0.11836 ++ {0.0} {} 0.0 14.6431 0 {} 0
47 {} 7.94384 0.01848 0.03143 ++ {0.0} {} {} 7.48713 0.04530 0.12533 ++ {0.0} {} 0.0 16.8170 0 {} 0
48 {5.HN} 7.77092 0.01164 0.00999 ++ {0.0} {} {5.HG1} 1.55139 0.03579 0.04910 ++ {0.0} {} 0.0 2.6950 0 {} 0
49 {5.HN} 7.77264 0.00957 0.01322 ++ {0.0} {} {5.HD1} 1.80842 0.06890 0.05462 ++ {0.0} {} 0.0 2.3244 0 {} 0
50 {10.HA} 3.86499 0.02259 0.02507 ++ {0.0} {} {10.HN} 8.51556 0.07441 0.09139 ++ {0.0} {} 0.0 5.2545 0 {} 0
51 {} 3.94992 0.01848 0.02640 ++ {0.0} {} {} 8.46646 0.05017 0.07191 ++ {0.0} {} 0.0 5.3162 0 {} 0
52 {} 3.97120 0.02909 0.05145 ++ {0.0} {} {} 9.20453 0.05497 0.08770 ++ {0.0} {} 0.0 6.2821 0 {} 0
53 {} 4.13458 0.02098 0.04840 ++ {0.0} {} {} 7.78366 0.04455 0.08720 ++ {0.0} {} 0.0 10.2143 0 {} 0
54 {} 3.88665 0.01027 0.01741 ++ {0.0} {} {} 8.51535 0.06529 0.08284 ++ {0.0} {} 0.0 5.8461 0 {} 0
55 {} 3.97577 0.01437 0.02472 ++ {0.0} {} {} 8.47041 0.04450 0.05483 ++ {0.0} {} 0.0 4.3871 0 {} 0
56 {} 3.94930 0.03080 0.04016 ++ {0.0} {} {} 2.20548 0.06197 0.09052 ++ {0.0} {} 0.0 10.4167 0 {} 0
57 {} 3.97845 0.01437 0.03898 ++ {0.0} {} {} 2.20718 0.06128 0.08322 ++ {0.0} {} 0.0 8.0698 0 {} 0
58 {} 3.95999 0.04123 0.09453 ++ {0.0} {} {} 1.22280 0.06299 0.09678 ++ {0.0} {} 0.0 37.4709 0 {} 0
59 {} 3.95475 0.04238 0.05067 ++ {0.0} {} {} 1.11537 0.04928 0.08806 ++ {0.0} {} 0.0 7.1177 0 {} 0
60 {} 3.88227 0.05491 0.07652 ++ {0.0} {} {} 1.15749 0.07854 0.13475 ++ {0.0} {} 0.0 27.1561 0 {} 0
61 {} 3.88073 0.01027 0.01839 ++ {0.0} {} {} 1.41151 0.06157 0.06926 ++ {0.0} {} 0.0 6.0583 0 {} 0
62 {} 4.33936 0.01344 0.01635 ++ {0.0} {} {} 1.54716 0.05345 0.07140 ++ {0.0} {} 0.0 7.1656 0 {} 0
63 {} 4.42643 0.01437 0.01784 ++ {0.0} {} {} 1.78484 0.03721 0.07863 ++ {0.0} {} 0.0 20.4827 0 {} 0
64 {} 4.40571 0.02259 0.02544 ++ {0.0} {} {} 1.77612 0.03394 0.07575 ++ {0.0} {} 0.0 21.3543 0 {} 0
65 {} 3.86145 0.01848 0.01996 ++ {0.0} {} {} 2.34998 0.07153 0.09131 ++ {0.0} {} 0.0 7.5828 0 {} 0
66 {} 4.38844 0.02132 0.01242 ++ {0.0} {} {} 2.34013 0.04413 0.04455 ++ {0.0} {} 0.0 3.3672 0 {} 0
67 {} 4.39067 0.04775 0.01088 ++ {0.0} {} {} 1.95197 0.06377 0.08448 ++ {0.0} {} 0.0 4.6068 0 {} 0
68 {} 4.14053 0.01848 0.01228 ++ {0.0} {} {} 1.73912 0.08811 0.07203 ++ {0.0} {} 0.0 3.9168 0 {} 0
69 {} 4.13985 0.00383 0.00698 ++ {0.0} {} {} 0.57270 0.03913 0.05591 ++ {0.0} {} 0.0 2.4838 0 {} 0
70 {} 2.19935 0.01848 0.02347 ++ {0.0} {} {} 1.22193 0.04140 0.05200 ++ {0.0} {} 0.0 15.9132 0 {} 0
71 {} 2.19798 0.01848 0.01925 ++ {0.0} {} {} 8.46684 0.03484 0.06767 ++ {0.0} {} 0.0 4.1897 0 {} 0
72 {} 4.38633 0.01848 0.02227 ++ {0.0} {} {} 3.44834 0.04613 0.05159 ++ {0.0} {} 0.0 3.6641 0 {} 0
73 {} 3.43811 0.06592 0.10751 ++ {0.0} {} {} 4.38588 0.05171 0.08691 ++ {0.0} {} 0.0 10.7727 0 {} 0
74 {8.HB1} 2.32306 0.01027 0.12207 ++ {0.0} {} {8.HA} 4.39307 0.04328 0.09085 ++ {0.0} {} 0.0 12.3537 0 {} 0
75 {10.HB} 2.34547 0.03080 0.06108 ++ {0.0} {} {10.HA} 3.88718 0.03868 0.06119 ++ {0.0} {} 0.0 5.9837 0 {} 0
76 {} 4.19663 0.02348 0.06672 ++ {0.0} {} {} 2.17258 0.06752 0.11301 ++ {0.0} {} 0.0 7.9631 0 {} 0
77 {9.HB1} 2.16262 0.05316 0.06044 ++ {0.0} {} {9.HA} 4.19893 0.06183 0.06818 ++ {0.0} {} 0.0 12.7016 0 {} 0
78 {1.HN} 8.49460 0.03560 0.04987 ++ {0.0} {} {1.HA} 3.96942 0.06455 0.08560 ++ {0.0} {} 0.0 7.2144 0 {} 0
79 {9.HD1} 1.93994 0.05231 0.09508 ++ {0.0} {} {9.HA} 4.19399 0.05796 0.08882 ++ {0.0} {} 0.0 15.6949 0 {} 0
80 {9.HB2} 2.15618 0.05316 0.05005 ++ {0.0} {} {9.HA} 4.20022 0.06183 0.06790 ++ {0.0} {} 0.0 12.7016 0 {} 0
81 {6.HB2} 1.95692 0.01437 0.06398 ++ {0.0} {} {6.HA} 4.40858 0.03574 0.09942 ++ {0.0} {} 0.0 16.7691 0 {} 0
82 {6.HB1} 2.04937 0.01437 0.08530 ++ {0.0} {} {6.HA} 4.40414 0.03574 0.10044 ++ {0.0} {} 0.0 16.7691 0 {} 0
83 {12.HB1} 1.77321 0.01027 0.04758 ++ {0.0} {} {12.HA} 4.42001 0.03319 0.08366 ++ {0.0} {} 0.0 130.0802 0 {} 0
84 {4.HB1} 2.03150 0.03080 0.04400 ++ {0.0} {} {4.HA} 4.34636 0.04928 0.07041 ++ {0.0} {} 0.0 10.4207 0 {} 0
85 {4.HB2} 1.95901 0.04838 0.11441 ++ {0.0} {} {4.HA} 4.34457 0.04981 0.08647 ++ {0.0} {} 0.0 19.3813 0 {} 0
86 {5.HB1} 2.04610 0.03491 0.04987 ++ {0.0} {} {5.HA} 4.14331 0.03651 0.04516 ++ {0.0} {} 0.0 9.3100 0 {} 0
87 {5.HB2} 2.01552 0.03491 0.04987 ++ {0.0} {} {5.HA} 4.14482 0.03651 0.04516 ++ {0.0} {} 0.0 9.3100 0 {} 0
88 {14.HB1} 2.14906 0.02951 0.04215 ++ {0.0} {} {14.HA} 4.50801 0.02175 0.03107 ++ {0.0} {} 0.0 8.1818 0 {} 0
89 {14.HB2} 2.05977 0.01027 0.01467 ++ {0.0} {} {14.HA} 4.51220 0.01183 0.01690 ++ {0.0} {} 0.0 6.7170 0 {} 0
90 {9.HN} 8.66630 0.00853 0.00932 ++ {0.0} {} {9.HB2} 2.16299 0.03930 0.04586 ++ {0.0} {} 0.0 2.5628 0 {} 0
91 {1.HG21} 1.10963 0.00998 0.01426 ++ {0.0} {} {1.HA} 3.93321 0.07061 0.06029 ++ {0.0} {} 0.0 12.8738 0 {} 0
92 {1.HD11} 1.09750 0.01027 0.01467 ++ {0.0} {} {1.HA} 3.93414 0.06475 0.05569 ++ {0.0} {} 0.0 13.2523 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 H . . 6009.615 Hz . . . 2323.97 . . 30650 2
2 . . H 1 H . . 6001.588 Hz . . . 2323.97 . . 30650 2
stop_
save_