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 30483
_Spectral_peak_list.ID 1
_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.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
tocsy600.nv
8012.82080078 8012.82080078
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 {15.H} 8.40274 0.03305 0.04604 ++ {0.0} {} {15.HA} 3.91532 0.03641 0.05977 ++ {0.0} {} 0.0 5.6261 0 {} 0
1 {12.H} 8.33553 0.03180 0.06239 ++ {0.0} {} {12.HA} 3.95106 0.04649 0.08509 ++ {0.0} {} 0.0 8.1054 0 {} 0
2 {13.H} 7.74658 0.04194 0.05662 ++ {0.0} {} {13.HA} 4.04678 0.06283 0.09330 ++ {0.0} {} 0.0 5.3123 0 {} 0
3 {10.H} 7.72863 0.03124 0.05143 ++ {0.0} {} {10.HA} 4.21205 0.05536 0.08677 ++ {0.0} {} 0.0 18.1150 0 {} 0
4 {8.H} 8.39566 0.02724 0.05046 ++ {0.0} {} {8.HA} 4.07397 0.05226 0.10337 ++ {0.0} {} 0.0 8.4971 0 {} 0
5 {16.H} 7.95341 0.02998 0.05157 ++ {0.0} {} {16.HA} 3.93185 0.04369 0.11033 ++ {0.0} {} 0.0 11.8997 0 {} 0
6 {17.H} 7.53960 0.03147 0.08579 ++ {0.0} {} {17.HA} 4.16890 0.05102 0.10486 ++ {0.0} {} 0.0 29.2738 0 {} 0
7 {2.H} 7.69517 0.03129 0.06142 ++ {0.0} {} {2.HA} 4.51346 0.05728 0.11489 ++ {0.0} {} 0.0 21.1124 0 {} 0
8 {1.H1} 7.83628 0.03482 0.07137 ++ {0.0} {} {1.HA} 4.41885 0.04418 0.10318 ++ {0.0} {} 0.0 20.1835 0 {} 0
9 {11.H} 7.95991 0.03438 0.06517 ++ {0.0} {} {11.HA} 4.12652 0.05801 0.08905 ++ {0.0} {} 0.0 2.9429 0 {} 0
10 {19.H} 7.83757 0.03482 0.06911 ++ {0.0} {} {19.HA} 4.40743 0.04418 0.11912 ++ {0.0} {} 0.0 20.1835 0 {} 0
11 {7.H} 7.82828 0.03017 0.04157 ++ {0.0} {} {7.HA} 4.74449 0.04440 0.09291 ++ {0.0} {} 0.0 5.3791 0 {} 0
12 {14.H} 7.70976 0.03124 0.07598 ++ {0.0} {} {14.HA} 4.14290 0.05536 0.12042 ++ {0.0} {} 0.0 18.1150 0 {} 0
13 {9.H} 8.23436 0.03094 0.06161 ++ {0.0} {} {9.HA} 3.93865 0.04047 0.08911 ++ {0.0} {} 0.0 10.0936 0 {} 0
14 {5.H} 7.79199 0.03674 0.06386 ++ {0.0} {} {5.HA} 3.91848 0.05907 0.11207 ++ {0.0} {} 0.0 10.1481 0 {} 0
15 {6.H} 7.72884 0.03088 0.06045 ++ {0.0} {} {6.HA} 3.91335 0.04565 0.10349 ++ {0.0} {} 0.0 10.9221 0 {} 0
16 {4.H} 7.88782 0.03623 0.07230 ++ {0.0} {} {4.HA} 4.14726 0.04530 0.11989 ++ {0.0} {} 0.0 12.7278 0 {} 0
17 {18.H} 7.64435 0.03792 0.07996 ++ {0.0} {} {18.HA} 4.17049 0.05476 0.11778 ++ {0.0} {} 0.0 29.6594 0 {} 0
18 {15.H} 8.40417 0.03015 0.05721 ++ {0.0} {} {15.HB1} 1.46974 0.03792 0.06626 ++ {0.0} {} 0.0 7.7956 0 {} 0
19 {12.H} 8.33550 0.03095 0.05769 ++ {0.0} {} {12.HB1} 1.50592 0.03993 0.08138 ++ {0.0} {} 0.0 10.1567 0 {} 0
20 {8.H} 8.39477 0.02414 0.00976 ++ {0.0} {} {8.HB2} 1.92256 0.07439 0.03300 ++ {0.0} {} 0.0 1.7232 0 {} 0
21 {7.H} 7.82751 0.03247 0.05350 ++ {0.0} {} {7.HB2} 2.82756 0.08477 0.11157 ++ {0.0} {} 0.0 6.6862 0 {} 0
22 {19.H} 7.83440 0.03490 0.07320 ++ {0.0} {} {19.HB2} 1.79532 0.06012 0.11902 ++ {0.0} {} 0.0 13.3358 0 {} 0
23 {19.H} 7.83411 0.03400 0.06168 ++ {0.0} {} {19.HG} 1.62584 0.05258 0.10687 ++ {0.0} {} 0.0 5.5523 0 {} 0
24 {19.H} 7.83090 0.02711 0.03250 ++ {0.0} {} {19.HD21} 0.89407 0.03510 0.03459 ++ {0.0} {} 0.0 1.9417 0 {} 0
25 {13.H} 7.75514 0.04553 0.07072 ++ {0.0} {} {13.HB2} 1.50035 0.05378 0.09183 ++ {0.0} {} 0.0 19.1414 0 {} 0
26 {10.H} 7.72298 0.04553 0.07596 ++ {0.0} {} {10.HB2} 1.53917 0.05378 0.12536 ++ {0.0} {} 0.0 19.1414 0 {} 0
27 {14.H} 7.71230 0.03330 0.04545 ++ {0.0} {} {14.HB2} 1.76945 0.06115 0.10283 ++ {0.0} {} 0.0 3.7151 0 {} 0
28 {14.H} 7.70474 0.04550 0.04143 ++ {0.0} {} {19.HD21} 0.89669 0.04779 0.06508 ++ {0.0} {} 0.0 4.4305 0 {} 0
29 {18.H} 7.64410 0.03538 0.06775 ++ {0.0} {} {18.HB} 1.91565 0.07210 0.11875 ++ {0.0} {} 0.0 7.6705 0 {} 0
30 {18.H} 7.64248 0.02817 0.01420 ++ {0.0} {} {18.HG13} 1.35468 0.07506 0.02036 ++ {0.0} {} 0.0 1.6263 0 {} 0
31 {18.H} 7.64942 0.01276 0.00437 ++ {0.0} {} {18.HG12} 1.57319 0.04323 0.01436 ++ {0.0} {} 0.0 1.5797 0 {} 0
32 {18.H} 7.64577 0.03569 0.02988 ++ {0.0} {} {18.HD11} 0.84991 0.04819 0.07404 ++ {0.0} {} 0.0 15.6718 0 {} 0
33 {18.H} 7.64577 0.03569 0.06550 ++ {0.0} {} {18.HG21} 0.94481 0.04819 0.10448 ++ {0.0} {} 0.0 15.6718 0 {} 0
34 {17.H} 7.55005 0.02885 0.03714 ++ {0.0} {} {17.HE2} 2.97065 0.05679 0.08541 ++ {0.0} {} 0.0 -2.5700 0 {} 0
35 {17.H} 7.53912 0.03471 0.06063 ++ {0.0} {} {17.HB2} 2.02082 0.05292 0.13254 ++ {0.0} {} 0.0 11.9893 0 {} 0
36 {17.H} 7.54173 0.03115 0.06135 ++ {0.0} {} {17.HD2} 1.69676 0.10853 0.13750 ++ {0.0} {} 0.0 6.4580 0 {} 0
37 {17.H} 7.53866 0.02977 0.02965 ++ {0.0} {} {17.HG2} 1.45929 0.10585 0.10541 ++ {0.0} {} 0.0 1.5660 0 {} 0
38 {9.H} 8.23325 0.03324 0.04029 ++ {0.0} {} {9.HB2} 1.90277 0.04988 0.08769 ++ {0.0} {} 0.0 2.9144 0 {} 0
39 {16.H} 7.95181 0.02115 0.01727 ++ {0.0} {} {16.HB2} 1.95339 0.06077 0.04600 ++ {0.0} {} 0.0 1.2679 0 {} 0
40 {16.H} 7.95050 0.03281 0.04023 ++ {0.0} {} {16.HD2} 1.69905 0.04140 0.07631 ++ {0.0} {} 0.0 2.9465 0 {} 0
41 {11.H} 7.95831 0.03208 0.04376 ++ {0.0} {} {11.HB2} 1.83771 0.06016 0.11089 ++ {0.0} {} 0.0 3.3795 0 {} 0
42 {4.H} 7.88616 0.02010 0.02872 ++ {0.0} {} {4.HB} 1.97518 0.07884 0.06659 ++ {0.0} {} 0.0 1.4092 0 {} 0
43 {5.H} 7.79030 0.03148 0.03787 ++ {0.0} {} {5.HB} 2.05144 0.05016 0.09905 ++ {0.0} {} 0.0 3.6067 0 {} 0
44 {5.H} 7.79184 0.04104 0.06016 ++ {0.0} {} {5.HG21} 0.88742 0.04010 0.05034 ++ {0.0} {} 0.0 6.4751 0 {} 0
45 {5.H} 7.79122 0.04104 0.04804 ++ {0.0} {} {5.HD11} 0.85759 0.04010 0.05523 ++ {0.0} {} 0.0 6.4751 0 {} 0
46 {6.H} 7.72494 0.03648 0.05764 ++ {0.0} {} {6.HB} 1.91225 0.07460 0.10455 ++ {0.0} {} 0.0 4.2800 0 {} 0
47 {2.H} 7.69694 0.02817 0.04054 ++ {0.0} {} {2.HB2} 1.61013 0.07506 0.16392 ++ {0.0} {} 0.0 1.6263 0 {} 0
48 {3.HD2} 3.76473 0.03342 0.00579 ++ {0.0} {} {3.HA} 4.51556 0.04559 0.00600 ++ {0.0} {} 0.0 1.5956 0 {} 0
49 {3.HD3} 3.65030 0.03079 0.01459 ++ {0.0} {} {3.HA} 4.51248 0.06596 0.02940 ++ {0.0} {} 0.0 1.9778 0 {} 0
50 {3.HB2} 2.23874 0.03964 0.08115 ++ {0.0} {} {3.HA} 4.50861 0.04159 0.09614 ++ {0.0} {} 0.0 12.2718 0 {} 0
51 {3.HG2} 2.06055 0.05471 0.10144 ++ {0.0} {} {3.HA} 4.50618 0.03981 0.09204 ++ {0.0} {} 0.0 14.2147 0 {} 0
52 {2.HB2} 1.61030 0.05915 0.07810 ++ {0.0} {} {2.HA} 4.51377 0.05564 0.11032 ++ {0.0} {} 0.0 9.5228 0 {} 0
53 {2.HG} 1.55620 0.03313 0.04733 ++ {0.0} {} {2.HA} 4.51453 0.05867 0.10937 ++ {0.0} {} 0.0 9.2224 0 {} 0
54 {2.HD21} 0.89442 0.02871 0.05287 ++ {0.0} {} {2.HA} 4.51351 0.05419 0.11660 ++ {0.0} {} 0.0 19.6107 0 {} 0
55 {1.HB2} 3.19213 0.03653 0.10364 ++ {0.0} {} {1.HA} 4.42043 0.05779 0.12303 ++ {0.0} {} 0.0 33.6429 0 {} 0
56 {19.HB2} 1.78571 0.05014 0.09007 ++ {0.0} {} {19.HA} 4.40126 0.04058 0.10059 ++ {0.0} {} 0.0 16.4082 0 {} 0
57 {19.HG} 1.61738 0.03444 0.07645 ++ {0.0} {} {19.HA} 4.40910 0.03804 0.06510 ++ {0.0} {} 0.0 6.8228 0 {} 0
58 {19.HD21} 0.89074 0.02763 0.05139 ++ {0.0} {} {19.HA} 4.40808 0.04012 0.10326 ++ {0.0} {} 0.0 18.6997 0 {} 0
59 {10.HB1} 1.53373 0.03009 0.05120 ++ {0.0} {} {10.HA} 4.20925 0.05707 0.11854 ++ {0.0} {} 0.0 97.1657 0 {} 0
60 {17.HE2} 2.97179 0.05362 0.07790 ++ {0.0} {} {17.HA} 4.17104 0.07272 0.11352 ++ {0.0} {} 0.0 6.9642 0 {} 0
61 {17.HB2} 2.00977 0.04758 0.10191 ++ {0.0} {} {17.HA} 4.16826 0.05062 0.11909 ++ {0.0} {} 0.0 22.8726 0 {} 0
62 {17.HD2} 1.69740 0.06331 0.06828 ++ {0.0} {} {17.HA} 4.17496 0.05148 0.09852 ++ {0.0} {} 0.0 15.2456 0 {} 0
63 {17.HG2} 1.44291 0.03313 0.05237 ++ {0.0} {} {17.HA} 4.17018 0.03301 0.09862 ++ {0.0} {} 0.0 10.4347 0 {} 0
64 {18.HG21} 0.93495 0.03752 0.04239 ++ {0.0} {} {18.HA} 4.16463 0.05534 0.11650 ++ {0.0} {} 0.0 57.9983 0 {} 0
65 {13.HB1} 1.49641 0.03051 0.06603 ++ {0.0} {} {13.HA} 4.05016 0.04207 0.10288 ++ {0.0} {} 0.0 134.5570 0 {} 0
66 {8.HB2} 1.92896 0.04953 0.07076 ++ {0.0} {} {8.HA} 4.07815 0.05623 0.09739 ++ {0.0} {} 0.0 6.1355 0 {} 0
67 {8.HD21} 0.85721 0.02711 0.03872 ++ {0.0} {} {8.HA} 4.07754 0.05189 0.12392 ++ {0.0} {} 0.0 11.9213 0 {} 0
68 {8.HD11} 0.90820 0.05975 0.04027 ++ {0.0} {} {8.HA} 4.13360 0.06893 0.09527 ++ {0.0} {} 0.0 53.7219 0 {} 0
69 {14.HB2} 1.86135 0.07530 0.07155 ++ {0.0} {} {14.HA} 4.14149 0.05944 0.09762 ++ {0.0} {} 0.0 11.3566 0 {} 0
70 {12.HB1} 1.49359 0.03133 0.06013 ++ {0.0} {} {12.HA} 3.95251 0.05174 0.10624 ++ {0.0} {} 0.0 134.9560 0 {} 0
71 {15.HB1} 1.45573 0.03266 0.05715 ++ {0.0} {} {15.HA} 3.92374 0.04541 0.12119 ++ {0.0} {} 0.0 127.0560 0 {} 0
72 {9.HE2} 2.95688 0.03770 0.08295 ++ {0.0} {} {9.HA} 3.95083 0.05047 0.11719 ++ {0.0} {} 0.0 7.8034 0 {} 0
73 {9.HD2} 1.67841 0.05847 0.10074 ++ {0.0} {} {9.HA} 3.93682 0.03973 0.10439 ++ {0.0} {} 0.0 25.1009 0 {} 0
74 {16.HE2} 2.93836 0.03770 0.08295 ++ {0.0} {} {16.HA} 3.93726 0.05047 0.11719 ++ {0.0} {} 0.0 7.8034 0 {} 0
75 {5.HB} 2.03629 0.05266 0.08151 ++ {0.0} {} {5.HA} 3.91799 0.05791 0.10963 ++ {0.0} {} 0.0 6.5026 0 {} 0
76 {6.HB} 1.90362 0.06933 0.09783 ++ {0.0} {} {6.HA} 3.92923 0.07065 0.14971 ++ {0.0} {} 0.0 18.7795 0 {} 0
77 {6.HG12} 1.27433 0.02711 0.03252 ++ {0.0} {} {6.HA} 3.91719 0.05735 0.05030 ++ {0.0} {} 0.0 2.3033 0 {} 0
78 {6.HG13} 1.24664 0.02711 0.03229 ++ {0.0} {} {6.HA} 3.92432 0.08178 0.07094 ++ {0.0} {} 0.0 2.4000 0 {} 0
79 {5.HG21} 0.84278 0.03504 0.03472 ++ {0.0} {} {5.HA} 3.88410 0.05157 0.06875 ++ {0.0} {} 0.0 79.7821 0 {} 0
80 {} 7.43348 0.03115 0.07157 ++ {0.0} {} {} 1.89735 0.10853 0.16775 ++ {0.0} {} 0.0 6.4580 0 {} 0
81 {4.H} 7.89251 0.01983 0.03776 ++ {0.0} {} {4.HG21} 0.92036 0.04765 0.03861 ++ {0.0} {} 0.0 2.5873 0 {} 0
82 {4.H} 7.89205 0.01983 0.03776 ++ {0.0} {} {4.HD11} 0.89341 0.04765 0.03861 ++ {0.0} {} 0.0 2.5873 0 {} 0
83 {} 1.90470 0.08734 0.10721 ++ {0.0} {} {} 4.16973 0.05077 0.10905 ++ {0.0} {} 0.0 12.9010 0 {} 0
84 {18.HB} 1.76022 0.08734 0.10212 ++ {0.0} {} {18.HA} 4.13858 0.05077 0.10686 ++ {0.0} {} 0.0 12.9010 0 {} 0
85 {6.HD11} 0.88101 0.03504 0.07222 ++ {0.0} {} {6.HA} 3.91661 0.05157 0.12347 ++ {0.0} {} 0.0 79.7821 0 {} 0
86 {8.H} 8.39086 0.03015 0.05118 ++ {0.0} {} {8.HG} 1.45483 0.03792 0.06386 ++ {0.0} {} 0.0 7.7956 0 {} 0
87 {9.HG2} 1.40351 0.03266 0.07031 ++ {0.0} {} {9.HA} 3.93980 0.04541 0.09636 ++ {0.0} {} 0.0 127.0560 0 {} 0
88 {14.HD11} 0.97249 0.02763 0.03446 ++ {0.0} {} {14.HA} 4.14263 0.04012 0.08648 ++ {0.0} {} 0.0 18.6997 0 {} 0
89 {6.H} 7.72808 0.04550 0.06454 ++ {0.0} {} {6.HD11} 0.89669 0.04779 0.08027 ++ {0.0} {} 0.0 4.4305 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 . . 8012.820 Hz . . . 4.692 . . 30483 1
2 . . H 1 H . . 8002.124 Hz . . . 4.692 . . 30483 1
stop_
save_