Content for NMR-STAR saveframe, "spectral_peak_list_3"
save_spectral_peak_list_3
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_3
_Spectral_peak_list.Entry_ID 30443
_Spectral_peak_list.ID 3
_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
hsqc200.nv
8064.51611328 10060.3623047
500.131988525 125.763000488
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 {S3.HB1} 3.87952 0.03415 0.03973 ++ {0.0} {} {S3.CB} 63.58861 0.43386 0.56415 ++ {0.0} {} 0.0 73.8721 0 {} 0
1 {E4.HA} 4.33881 0.03415 0.03973 ++ {0.0} {} {E4.CA} 59.29345 0.43386 0.56415 ++ {0.0} {} 0.0 73.8721 0 {} 0
2 {S1.HB} 4.06365 0.02440 0.05118 ++ {0.0} {} {S1.CB} 63.22471 0.30231 0.51916 ++ {0.0} {} 0.0 -182.8450 0 {} 0
3 {V7.HB} 4.04050 0.03580 0.05469 ++ {0.0} {} {V7.CB} 62.62954 0.30693 0.53174 ++ {0.0} {} 0.0 89.9158 0 {} 0
4 {I6.HA} 4.14404 0.04284 0.05183 ++ {0.0} {} {I6.CA} 61.35011 0.35174 0.39746 ++ {0.0} {} 0.0 59.4114 0 {} 0
5 {R2.HA} 4.43020 0.03831 0.05620 ++ {0.0} {} {R2.CA} 56.80211 0.48164 0.84559 ++ {0.0} {} 0.0 92.0149 0 {} 0
6 {Q9.HA} 4.35014 0.04404 0.09842 ++ {0.0} {} {Q9.CA} 56.17418 0.46912 0.95395 ++ {0.0} {} 0.0 165.2150 0 {} 0
7 {S1.HA} 4.28574 0.05221 0.05919 ++ {0.0} {} {S1.CA} 57.38478 0.40469 0.71709 ++ {0.0} {} 0.0 119.2200 0 {} 0
8 {L5.HA} 4.23462 0.02480 0.04320 ++ {0.0} {} {L5.CA} 56.36482 0.37676 0.55074 ++ {0.0} {} 0.0 71.5217 0 {} 0
9 {R10.HA} 4.28595 0.02235 0.05245 ++ {0.0} {} {R10.CA} 56.38648 0.50013 0.67090 ++ {0.0} {} 0.0 136.1500 0 {} 0
10 {H8.HB} 3.20878 0.03687 0.07900 ++ {0.0} {} {H8.CB} 43.58481 0.38432 0.85884 ++ {0.0} {} 0.0 -288.2700 0 {} 0
11 {} 3.28851 0.01929 0.06665 ++ {0.0} {} {} 28.99630 0.39381 0.60436 ++ {0.0} {} 0.0 -49.4555 0 {} 0
12 {} 3.22122 0.02480 0.04979 ++ {0.0} {} {} 28.92751 0.44682 0.52260 ++ {0.0} {} 0.0 -51.0025 0 {} 0
13 {E4.HG} 2.43670 0.04006 0.05532 ++ {0.0} {} {E4.CG} 33.41747 0.37360 0.57159 ++ {0.0} {} 0.0 -90.1053 0 {} 0
14 {Q9.HG} 2.37266 0.03756 0.06536 ++ {0.0} {} {Q9.CG} 33.92014 0.42835 0.91585 ++ {0.0} {} 0.0 -152.2520 0 {} 0
15 {} 2.20819 0.01075 0.01231 ++ {0.0} {} {} 33.00411 0.47451 0.58101 ++ {0.0} {} 0.0 54.6083 0 {} 0
16 {I6.HB} 1.91254 0.00827 0.01181 ++ {0.0} {} {I6.CB} 38.73230 0.37123 0.47471 ++ {0.0} {} 0.0 58.7206 0 {} 0
17 {Q9.HG} 2.13856 0.04273 0.05795 ++ {0.0} {} {Q9.CG} 29.79502 0.41877 0.68579 ++ {0.0} {} 0.0 -47.0320 0 {} 0
18 {E4.HB} 2.14998 0.04585 0.04460 ++ {0.0} {} {E4.CB} 28.65729 0.43829 0.41724 ++ {0.0} {} 0.0 -40.4108 0 {} 0
19 {V7.HB} 2.07831 0.05414 0.06181 ++ {0.0} {} {V7.CB} 32.26889 0.33338 0.73590 ++ {0.0} {} 0.0 69.4579 0 {} 0
20 {Q9.HB} 1.99657 0.01929 0.06157 ++ {0.0} {} {Q9.CB} 29.76810 0.39647 0.63591 ++ {0.0} {} 0.0 -42.7179 0 {} 0
21 {R10.HB} 1.93455 0.01378 0.08050 ++ {0.0} {} {R10.CB} 30.80623 0.47480 0.62362 ++ {0.0} {} 0.0 -61.6857 0 {} 0
22 {R10.HG} 1.80264 0.00827 0.02738 ++ {0.0} {} {R10.CG} 30.81737 0.37650 0.44286 ++ {0.0} {} 0.0 -36.8026 0 {} 0
23 {L5.HG} 1.59814 0.01327 0.02162 ++ {0.0} {} {L5.CG} 30.86213 0.41572 0.81292 ++ {0.0} {} 0.0 133.7270 0 {} 0
24 {R10.HB} 1.68002 0.01378 0.01968 ++ {0.0} {} {R10.CB} 27.02988 0.18937 0.20790 ++ {0.0} {} 0.0 46.9454 -1 {} 0
25 {L5.HB} 1.72417 0.04101 0.04397 ++ {0.0} {} {L5.CB} 27.42260 0.34322 0.32777 ++ {0.0} {} 0.0 -87.8794 0 {} 0
26 {R10.HG} 1.18178 0.01681 0.02396 ++ {0.0} {} {R10.CG} 33.64837 0.45809 0.83316 ++ {0.0} {} 0.0 120.3320 0 {} 0
27 {I6.HG} 1.20954 0.02060 0.04353 ++ {0.0} {} {I6.CG} 31.49047 0.52907 1.19465 ++ {0.0} {} 0.0 487.5010 0 {} 0
28 {I6.HG} 1.24830 0.01366 0.02756 ++ {0.0} {} {I6.CG} 31.16830 0.46757 0.89981 ++ {0.0} {} 0.0 141.3010 0 {} 0
29 {I6.HG} 1.29155 0.01809 0.02691 ++ {0.0} {} {I6.CG} 27.34869 0.41626 0.71680 ++ {0.0} {} 0.0 105.8460 -1 {} 0
30 {I6.HG} 1.21111 0.01890 0.02931 ++ {0.0} {} {I6.CG} 24.34012 0.36731 0.60574 ++ {0.0} {} 0.0 120.7080 0 {} 0
31 {} 1.31840 0.01237 0.01144 ++ {0.0} {} {} 22.76995 0.37378 0.33409 ++ {0.0} {} 0.0 38.2859 0 {} 0
32 {L5.HD} 0.95178 0.02047 0.05374 ++ {0.0} {} {L5.CD} 25.21016 0.44448 0.96098 ++ {0.0} {} 0.0 288.3210 0 {} 0
33 {V7.HG} 0.89180 0.03526 0.04715 ++ {0.0} {} {V7.CG} 23.94183 0.51899 1.04713 ++ {0.0} {} 0.0 263.9920 0 {} 0
34 {V7.HD} 0.86584 0.02199 0.04989 ++ {0.0} {} {V7.CG} 21.40506 0.40708 1.03686 ++ {0.0} {} 0.0 300.1420 0 {} 0
35 {V7.HG} 0.90965 0.01378 0.01968 ++ {0.0} {} {V7.CG} 20.85313 0.40819 0.93360 ++ {0.0} {} 0.0 314.6540 0 {} 0
36 {I6.HD} 0.86152 0.00827 0.01181 ++ {0.0} {} {I6.CD} 17.68706 0.44749 0.99054 ++ {0.0} {} 0.0 258.3000 0 {} 0
37 {I6.HG} 0.86105 0.01558 0.02756 ++ {0.0} {} {I6.CG} 13.15649 0.29659 0.54329 ++ {0.0} {} 0.0 251.7720 0 {} 0
38 {} 0.79314 0.01851 0.02713 ++ {0.0} {} {} 15.56054 0.43199 0.84618 ++ {0.0} {} 0.0 146.5753 -1 {} 0
39 {} 2.03481 0.03713 0.04720 ++ {0.0} {} {} 28.61301 0.42293 0.36131 ++ {0.0} {} 0.0 -36.9662 0 {} 0
40 {} 1.80544 0.04134 0.05905 ++ {0.0} {} {} 27.20184 0.36519 0.42575 ++ {0.0} {} 0.0 -50.7712 -1 {} 0
41 {} 1.49986 0.01378 0.01968 ++ {0.0} {} {} 27.59195 0.46741 0.60399 ++ {0.0} {} 0.0 -31.3366 -1 {} 0
42 {} 1.56364 0.01378 0.03755 ++ {0.0} {} {} 28.08056 0.36924 0.45194 ++ {0.0} {} 0.0 -32.7386 -1 {} 0
43 {R2.HG} 1.68661 0.03866 0.03317 ++ {0.0} {} {R2.CG} 27.68490 0.36519 0.43734 ++ {0.0} {} 0.0 -50.7712 0 {} 0
44 {R10.HG} 1.66430 0.04101 0.05076 ++ {0.0} {} {R10.CG} 27.60674 0.34322 0.41188 ++ {0.0} {} 0.0 -87.8794 0 {} 0
45 {I6.HG} 1.18137 0.00908 0.01895 ++ {0.0} {} {I6.CG} 27.52775 0.29952 0.40573 ++ {0.0} {} 0.0 -25.9757 -1 {} 0
46 {I6.HG} 1.16166 0.00826 0.01228 ++ {0.0} {} {I6.CG} 27.48907 0.42559 0.38883 ++ {0.0} {} 0.0 -26.5405 0 {} 0
47 {L5.HB} 1.73593 0.01378 0.01968 ++ {0.0} {} {L5.CB} 42.60243 0.53138 0.33250 ++ {0.0} {} 0.0 -24.0716 0 {} 0
48 {L5.HB} 1.72067 0.02221 0.01651 ++ {0.0} {} {L5.CB} 42.69347 0.62315 0.40927 ++ {0.0} {} 0.0 -24.6280 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 . . . 2341.80 . . 30443 3
2 . . C 13 C . . 5030.936 Hz . . . 15593.97 . . 30443 3
stop_
save_