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 30396
_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 3
_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 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
hsqc212.nv
6009.61523437 11312.2167969
500.132995605 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 {2.HA} 4.71034 0.04133 0.04314 ++ {0.0} {} {2.CA} 58.94244 0.43599 0.46713 ++ {0.0} {} 0.0 29.5619 0 {} 0
1 {21.HA} 4.61730 0.03775 0.04250 ++ {0.0} {} {21.CA} 57.40378 0.33316 0.38770 ++ {0.0} {} 0.0 32.8246 0 {} 0
2 {23.HA} 4.56756 0.04661 0.06487 ++ {0.0} {} {23.CA} 59.62537 0.45650 0.69999 ++ {0.0} {} 0.0 58.8277 0 {} 0
3 {4.HA} 4.56049 0.05521 0.07462 ++ {0.0} {} {4.CA} 58.61520 0.45754 0.45402 ++ {0.0} {} 0.0 47.2871 0 {} 0
4 {14.HA} 4.58333 0.03233 0.04619 ++ {0.0} {} {14.CA} 56.45752 0.45705 0.41839 ++ {0.0} {} 0.0 25.3097 0 {} 0
5 {5.HA} 4.12437 0.04107 0.05867 ++ {0.0} {} {5.CA} 58.68163 0.43651 0.52669 ++ {0.0} {} 0.0 34.5979 0 {} 0
6 {3.HA} 4.17234 0.04107 0.05867 ++ {0.0} {} {3.CA} 58.67069 0.43305 0.58310 ++ {0.0} {} 0.0 42.0050 0 {} 0
7 {7.HA} 4.20766 0.03526 0.04346 ++ {0.0} {} {7.CA} 60.30092 0.45722 0.58413 ++ {0.0} {} 0.0 37.9975 0 {} 0
8 {20.HA} 4.26960 0.03830 0.05451 ++ {0.0} {} {20.CA} 60.80803 0.47663 0.62447 ++ {0.0} {} 0.0 39.7946 0 {} 0
9 {10.HA} 4.42944 0.01241 0.04562 ++ {0.0} {} {10.CA} 59.63483 0.64841 0.69838 ++ {0.0} {} 0.0 26.7421 0 {} 0
10 {15.HA} 4.43313 0.01280 0.01829 ++ {0.0} {} {15.CA} 61.36190 0.60515 0.43169 ++ {0.0} {} 0.0 26.6690 0 {} 0
11 {19.HA} 4.43175 0.02978 0.02900 ++ {0.0} {} {19.CA} 60.45458 0.55287 0.54135 ++ {0.0} {} 0.0 33.6127 0 {} 0
12 {6.HA1} 3.81565 0.01644 0.02349 ++ {0.0} {} {6.CA} 47.78002 0.53738 0.23038 ++ {0.0} {} 0.0 34.1216 0 {} 0
13 {18.HA2} 3.91820 0.03424 0.03981 ++ {0.0} {} {18.CA} 47.10476 0.49625 0.58542 ++ {0.0} {} 0.0 65.3595 0 {} 0
14 {13.HA2} 3.88017 0.02166 0.03094 ++ {0.0} {} {13.CA} 47.98704 0.68432 0.27573 ++ {0.0} {} 0.0 33.5706 0 {} 0
15 {16.HA} 3.74149 0.04786 0.04713 ++ {0.0} {} {16.CA} 65.96864 0.35184 0.34617 ++ {0.0} {} 0.0 52.7642 -1 {} 0
16 {8.HA} 3.91150 0.04566 0.06420 ++ {0.0} {} {8.CA} 64.49861 0.47811 0.67779 ++ {0.0} {} 0.0 92.0672 0 {} 0
17 {9.HA} 3.78189 0.03565 0.03688 ++ {0.0} {} {9.CA} 62.50048 0.44622 0.46370 ++ {0.0} {} 0.0 55.8007 0 {} 0
18 {11.HA} 4.54908 0.00694 0.07092 ++ {0.0} {} {11.CA} 58.38766 0.10927 0.58820 ++ {0.0} {} 0.0 23.3575 0 {} 0
19 {12.HA} 3.85189 0.04202 0.08804 ++ {0.0} {} {12.CA} 73.12331 0.39293 1.15159 ++ {0.0} {} 0.0 673.8650 0 {} 0
20 {22.HA} 3.89088 0.05603 0.08869 ++ {0.0} {} {22.CA} 66.90490 0.44888 1.18244 ++ {0.0} {} 0.0 761.2100 0 {} 0
21 {} 4.98346 0.06146 0.12123 ++ {0.0} {} {} 70.88417 0.50394 1.25731 ++ {0.0} {} 0.0 480.0394 0 {} 0
22 {16.HA} 3.73265 0.05593 0.08047 ++ {0.0} {} {16.CA} 67.07195 0.67140 0.46258 ++ {0.0} {} 0.0 680.7730 0 {} 0
23 {17.HB1} 3.32142 0.04877 0.11279 ++ {0.0} {} {17.CB} 29.32482 0.49021 0.98800 ++ {0.0} {} 0.0 120.4230 0 {} 0
24 {21.HB1} 3.20466 0.05061 0.04850 ++ {0.0} {} {21.CB} 29.51792 0.43745 0.42245 ++ {0.0} {} 0.0 41.4694 0 {} 0
25 {11.HB2} 3.53976 0.03604 0.02480 ++ {0.0} {} {11.CB} 29.74431 0.44540 0.25794 ++ {0.0} {} 0.0 24.1496 0 {} 0
26 {10.HB2} 3.32142 0.07550 0.14917 ++ {0.0} {} {10.CB} 29.32482 0.49021 1.08464 ++ {0.0} {} 0.0 120.4230 0 {} 0
27 {15.HB2} 3.30514 0.05663 0.05050 ++ {0.0} {} {15.CB} 40.32726 0.66396 0.54166 ++ {0.0} {} 0.0 28.9761 0 {} 0
28 {23.HB2} 3.15482 0.08163 0.09757 ++ {0.0} {} {23.CB} 40.62204 0.50117 0.64989 ++ {0.0} {} 0.0 48.7918 0 {} 0
29 {19.HB2} 3.06786 0.05002 0.09462 ++ {0.0} {} {19.CB} 40.05032 0.50389 1.08012 ++ {0.0} {} 0.0 117.0360 0 {} 0
30 {14.HB2} 2.83215 0.06345 0.05116 ++ {0.0} {} {14.CB} 39.54114 0.45123 0.37984 ++ {0.0} {} 0.0 29.6263 0 {} 0
31 {14.HB1} 2.77075 0.05750 0.08214 ++ {0.0} {} {14.CB} 39.51089 0.35802 0.31089 ++ {0.0} {} 0.0 30.3217 0 {} 0
32 {23.HB1} 2.77829 0.06420 0.06540 ++ {0.0} {} {23.CB} 40.62280 0.37341 0.38572 ++ {0.0} {} 0.0 35.4828 0 {} 0
33 {11.HB1} 3.40518 0.01375 0.01964 ++ {0.0} {} {11.CB} 52.57992 0.40042 0.32890 ++ {0.0} {} 0.0 29.1136 0 {} 0
34 {1.HA} 3.80444 0.02464 0.17362 ++ {0.0} {} {1.CA} 74.84096 0.49271 1.25051 ++ {0.0} {} 0.0 63.8007 0 {} 0
35 {20.HB2} 3.91284 0.05603 0.09070 ++ {0.0} {} {20.CB} 67.08366 0.44888 1.24102 ++ {0.0} {} 0.0 761.2100 0 {} 0
36 {} 3.97139 0.03071 0.06026 ++ {0.0} {} {} 62.83723 0.64794 1.18665 ++ {0.0} {} 0.0 615.6208 0 {} 0
37 {7.HE1} 2.99243 0.03451 0.06714 ++ {0.0} {} {7.CE} 43.09582 0.42410 0.78993 ++ {0.0} {} 0.0 122.9190 0 {} 0
38 {19.HB1} 2.91631 0.04970 0.05498 ++ {0.0} {} {19.CB} 40.30564 0.63350 0.74161 ++ {0.0} {} 0.0 39.6975 0 {} 0
39 {17.HA} 4.54943 0.03071 0.06797 ++ {0.0} {} {17.CA} 58.52663 0.64794 0.74862 ++ {0.0} {} 0.0 615.6210 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 ppm . . . 2786.97 . . 30396 1
2 . . C 13 CA . . 11319.045 ppm . . . 4401.52 . . 30396 1
stop_
save_