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 30451
_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 13C
hsqc216.nv
6009.61523437 11312.2167969
500.131988525 125.762001038
1Hx.L 1Hx.P 1Hx.W 1Hx.B 1Hx.E 1Hx.J 1Hx.U 13C.L 13C.P 13C.W 13C.B 13C.E 13C.J 13C.U vol int stat comment flag0
0 {5.HA} 4.10608 0.02851 0.03395 ++ {0.0} {} {5.CA} 57.91257 0.46179 0.63915 ++ {0.0} {} 0.0 16.7123 0 {} 0
1 {2.HA} 4.18222 0.02196 0.03745 ++ {0.0} {} {2.CA} 56.61466 0.38085 0.69969 ++ {0.0} {} 0.0 18.3623 0 {} 0
2 {8.HA} 4.51329 0.01297 0.02650 ++ {0.0} {} {8.CA} 57.25703 0.41550 0.56590 ++ {0.0} {} 0.0 14.7939 0 {} 0
3 {9.HA} 4.20821 0.01528 0.04086 ++ {0.0} {} {9.CA} 57.30085 1.00791 0.83314 ++ {0.0} {} 0.0 14.0645 0 {} 0
4 {10.HA} 4.19863 0.04399 0.04387 ++ {0.0} {} {10.CA} 56.27873 0.43329 0.49260 ++ {0.0} {} 0.0 17.0535 0 {} 0
5 {7.HA} 3.97000 0.03935 0.05622 ++ {0.0} {} {7.CA} 63.39376 0.67849 0.86764 ++ {0.0} {} 0.0 10.6943 0 {} 0
6 {1.HA} 4.13370 0.00828 0.05774 ++ {0.0} {} {1.CA} 62.53637 0.33304 0.52824 ++ {0.0} {} 0.0 11.2284 0 {} 0
7 {3.HA} 4.31842 0.04188 0.03365 ++ {0.0} {} {3.CA} 59.96357 0.48793 0.61619 ++ {0.0} {} 0.0 15.6945 0 {} 0
8 {4.HA} 3.76241 0.04535 0.03661 ++ {0.0} {} {4.CA} 58.78368 0.69653 0.67625 ++ {0.0} {} 0.0 12.2092 0 {} 0
9 {6.HA} 3.82774 0.02081 0.03065 ++ {0.0} {} {6.CA} 64.34061 1.05722 0.86224 ++ {0.0} {} 0.0 12.1764 0 {} 0
10 {} 3.23887 0.01551 0.03856 ++ {0.0} {} {} 58.83228 0.47455 0.67257 ++ {0.0} {} 0.0 8.2948 0 {} 0
11 {5.HD1} 0.86693 0.03988 0.06878 ++ {0.0} {} {5.CD1} 23.91011 0.55818 1.27508 ++ {0.0} {} 0.0 118.0010 0 {} 0
12 {5.HB1} 1.81085 0.04756 0.05337 ++ {0.0} {} {5.CB} 41.86225 0.48475 0.83035 ++ {0.0} {} 0.0 19.3689 0 {} 0
13 {6.HB} 1.92379 0.04570 0.03254 ++ {0.0} {} {6.CB} 38.14722 0.40487 0.67429 ++ {0.0} {} 0.0 18.3732 0 {} 0
14 {6.HD} 0.85074 0.03160 0.07503 ++ {0.0} {} {6.CD} 13.18775 0.41784 1.06873 ++ {0.0} {} 0.0 67.3033 0 {} 0
15 {9.HG1} 2.42138 0.03059 0.04369 ++ {0.0} {} {9.CG} 33.97940 0.44878 0.60092 ++ {0.0} {} 0.0 26.4843 0 {} 0
16 {9.HB1} 2.16075 0.04589 0.05665 ++ {0.0} {} {9.CB} 29.04214 0.39015 0.74480 ++ {0.0} {} 0.0 28.6954 0 {} 0
17 {9.HB2} 2.08904 0.08346 0.10258 ++ {0.0} {} {9.CB} 27.78504 0.59810 0.97455 ++ {0.0} {} 0.0 31.6584 0 {} 0
18 {1.HB1} 3.97465 0.06503 0.08831 ++ {0.0} {} {1.CB} 63.36962 0.39963 0.60098 ++ {0.0} {} 0.0 24.7890 0 {} 0
19 {2.HD1} 3.12661 0.05750 0.08214 ++ {0.0} {} {2.CD} 43.59218 0.80221 0.94887 ++ {0.0} {} 0.0 37.6612 0 {} 0
20 {2.HB2} 1.82170 0.04388 0.03820 ++ {0.0} {} {2.CB} 30.52919 0.57587 0.73368 ++ {0.0} {} 0.0 25.7046 0 {} 0
21 {3.HB1} 3.08806 0.03704 0.02661 ++ {0.0} {} {3.CB} 39.12971 0.61335 0.61513 ++ {0.0} {} 0.0 19.5517 0 {} 0
22 {4.HB1} 2.10328 0.02464 0.03520 ++ {0.0} {} {4.CB} 29.18731 0.78313 0.73556 ++ {0.0} {} 0.0 13.9723 0 {} 0
23 {10.HB2} 1.69896 0.04188 0.04293 ++ {0.0} {} {10.CB} 41.71753 0.63734 0.93561 ++ {0.0} {} 0.0 15.9999 0 {} 0
24 {7.HB} 1.89074 0.04650 0.03411 ++ {0.0} {} {7.CB} 31.35256 0.50238 0.44953 ++ {0.0} {} 0.0 14.5390 0 {} 0
25 {7.HG1} 0.81038 0.02798 0.10097 ++ {0.0} {} {7.CG} 21.19399 0.56396 1.08482 ++ {0.0} {} 0.0 45.2701 -1 {} 0
26 {8.HB1} 3.25463 0.06420 0.08214 ++ {0.0} {} {8.CB} 28.33216 0.42032 0.82022 ++ {0.0} {} 0.0 20.1811 0 {} 0
27 {9.HG1} 2.46193 0.08306 0.08877 ++ {0.0} {} {9.CG} 32.76245 0.46530 0.51976 ++ {0.0} {} 0.0 17.4118 0 {} 0
28 {10.HB1} 1.92708 0.04092 0.10792 ++ {0.0} {} {10.CB} 30.56022 0.97764 0.72939 ++ {0.0} {} 0.0 20.1383 0 {} 0
29 {10.HG1} 1.69264 0.06896 0.10717 ++ {0.0} {} {10.CG} 27.22015 0.54466 1.20953 ++ {0.0} {} 0.0 56.2588 0 {} 0
30 {} 0.77893 0.01865 0.03741 ++ {0.0} {} {} 15.49008 0.60058 1.09746 ++ {0.0} {} 0.0 126.0963 0 {} 0
31 {6.HG} 0.86124 0.02533 0.06264 ++ {0.0} {} {6.CG} 17.43613 0.42455 0.98277 ++ {0.0} {} 0.0 83.5461 0 {} 0
32 {7.HG1} 0.71446 0.02670 0.07875 ++ {0.0} {} {7.CG1} 21.29730 0.41281 1.01614 ++ {0.0} {} 0.0 88.8206 0 {} 0
33 {7.HG2} 0.67197 0.03725 0.05233 ++ {0.0} {} {7.CG2} 22.00834 0.41911 0.93538 ++ {0.0} {} 0.0 59.9240 0 {} 0
34 {5.HD2} 0.91973 0.03988 0.06704 ++ {0.0} {} {5.CD2} 24.69030 0.55818 1.23478 ++ {0.0} {} 0.0 118.0010 0 {} 0
35 {} 1.26892 0.02726 0.04372 ++ {0.0} {} {} 27.16791 0.42978 0.92436 ++ {0.0} {} 0.0 99.2075 0 {} 0
36 {} 1.19831 0.02638 0.04116 ++ {0.0} {} {} 24.27768 0.55842 1.08183 ++ {0.0} {} 0.0 77.5461 0 {} 0
37 {} 1.57536 0.03000 0.04426 ++ {0.0} {} {} 30.83868 0.38567 1.02550 ++ {0.0} {} 0.0 100.7145 0 {} 0
38 {} 1.19595 0.02677 0.08735 ++ {0.0} {} {} 31.40681 0.47533 1.37297 ++ {0.0} {} 0.0 441.3851 0 {} 0
39 {} 1.16121 0.01622 0.06810 ++ {0.0} {} {} 33.55269 0.40375 0.92721 ++ {0.0} {} 0.0 97.3807 0 {} 0
40 {4.HG1} 2.36879 0.03620 0.03915 ++ {0.0} {} {4.CG} 32.98367 0.96695 1.02534 ++ {0.0} {} 0.0 21.5765 0 {} 0
41 {9.HG2} 2.18938 0.01460 0.04280 ++ {0.0} {} {9.CG} 32.87591 0.34573 0.81385 ++ {0.0} {} 0.0 35.4998 0 {} 0
42 {10.HD1} 3.16993 0.06267 0.12098 ++ {0.0} {} {10.CD} 43.24552 0.66192 1.19073 ++ {0.0} {} 0.0 64.5789 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 . . . 2347.81 . . 30451 1
2 . . H 1 H . . 6009.594 Hz . . . 2347.81 . . 30451 1
stop_
save_