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 30590
_Spectral_peak_list.ID 1
_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 11
_Spectral_peak_list.Experiment_name '3D 1H-13C filtered NOESY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_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
;
# Number of dimensions 3
# INAME 1 H1
# INAME 2 C13
# INAME 3 H1
1 4.229 59.190 0.913 0 U 4.985e+04 0.00e+00 - 0 940 520 2802 0
# HD1 I68
2 1.178 20.953 4.236 0 U 2.996e+05 0.00e+00 - 0 820 821 2712 0
# HA L73
3 1.178 20.953 0.792 0 U 4.943e+06 0.00e+00 - 0 820 821 2783 0
# HD2 L73
4 1.178 20.953 1.550 0 U 2.201e+06 0.00e+00 - 0 820 821 2933 0
# HG L70
5 1.178 20.953 7.704 0 U 2.731e+05 0.00e+00 - 0 820 821 2722 0
# H R74
6 1.178 20.953 1.467 0 U -7.644e+05 0.00e+00 - 0 820 821 2682 0
# HB2 L70
7 1.178 20.953 0.859 0 U -3.311e+06 0.00e+00 - 0 820 821 2714 0
# HD1 L73
8 0.825 16.812 0.960 0 U -1.238e+04 0.00e+00 - 0 2453 2456 1018 0
# HD1 L753
9 0.825 16.812 1.921 0 U 3.513e+03 0.00e+00 - 0 2453 2456 1220 0
# HE M779
10 3.057 31.672 0.848 0 U 1.252e+04 0.00e+00 - 0 2917 2846 1148 0
# HD1 L765
11 4.236 54.904 1.178 0 U -4.313e+04 0.00e+00 - 0 2712 2717 820 0
# HG2 T763
12 1.825 26.379 0.968 0 U 1.824e+04 0.00e+00 - 0 2409 2414 920 0
# HG2 T756
13 1.816 34.221 0.937 0 U 4.507e+03 0.00e+00 - 0 2465 2471 1143 0
# HD2 L753
14 1.573 16.364 6.902 0 U -3.141e+07 0.00e+00 - 0 1200 1199 2814 0
# HD1 W10
15 1.573 16.364 6.932 0 U 2.442e+07 0.00e+00 - 0 1200 1199 2819 0
# HH2 W10
16 1.573 16.364 6.800 0 U 7.970e+06 0.00e+00 - 0 1200 1199 2821 0
# HZ3 W10
17 0.848 22.368 7.130 0 U 7.394e+04 0.00e+00 - 0 1148 1202 2779 0
# HZ2 W10
18 0.848 22.368 3.057 0 U 2.022e+05 0.00e+00 - 0 1148 1202 2917 0
# HB2 W10
19 0.848 22.368 3.694 0 U 5.669e+05 0.00e+00 - 0 1148 1202 2115 0
# HB T12
20 0.848 22.368 6.800 0 U 9.205e+04 0.00e+00 - 0 1148 1202 2821 0
# HZ3 W10
21 0.848 22.368 8.603 0 U 4.099e+05 0.00e+00 - 0 1148 1202 2100 0
# H K11
22 0.792 23.473 1.178 0 U 3.746e+05 0.00e+00 - 0 2783 2890 820 0
# HG2 T763
23 0.792 23.473 1.611 0 U -5.357e+05 0.00e+00 - 0 2783 2890 816 0
# HB A760
24 0.792 23.473 0.968 0 U -6.286e+05 0.00e+00 - 0 2783 2890 920 0
# HG2 T756
25 1.611 19.277 0.792 0 U 1.918e+07 0.00e+00 - 0 816 279 2783 0
# HD2 L73
26 1.611 19.277 0.498 0 U 3.303e+06 0.00e+00 - 0 816 279 2430 0
# HD1 I44
27 1.611 19.277 0.121 0 U 6.154e+04 0.00e+00 - 0 816 279 2801 0
# HD2 L70
28 1.611 19.277 6.800 0 U 4.975e+05 0.00e+00 - 0 816 279 2821 0
# HZ3 W10
29 1.611 19.277 0.637 0 U -9.595e+06 0.00e+00 - 0 816 279 2927 0
# HD1 L70
30 1.611 19.277 1.369 0 U 6.350e+05 0.00e+00 - 0 816 279 2713 0
# HB3 L73
31 1.611 19.277 0.859 0 U -1.261e+07 0.00e+00 - 0 816 279 2714 0
# HD1 L73
32 1.550 26.959 1.178 0 U 7.041e+03 0.00e+00 - 0 2933 2934 820 0
# HG2 T763
33 0.968 21.617 1.825 0 U 1.897e+05 0.00e+00 - 0 920 921 2409 0
# HG3 R42
34 0.968 21.617 0.792 0 U 1.891e+06 0.00e+00 - 0 920 921 2783 0
# HD2 L73
35 0.968 21.617 3.041 0 U 2.254e+05 0.00e+00 - 0 920 921 2408 0
# HD2 R42
36 0.968 21.617 0.498 0 U 2.920e+05 0.00e+00 - 0 920 921 2430 0
# HD1 I44
37 0.968 21.617 0.121 0 U 5.840e+05 0.00e+00 - 0 920 921 2801 0
# HD2 L70
38 0.968 21.617 1.467 0 U 2.583e+05 0.00e+00 - 0 920 921 2682 0
# HB2 L70
39 0.968 21.617 0.859 0 U -1.238e+06 0.00e+00 - 0 920 921 2714 0
# HD1 L73
40 3.041 42.671 0.968 0 U 1.944e+04 0.00e+00 - 0 2408 2413 920 0
# HG2 T756
41 1.695 40.539 1.921 0 U -9.780e+03 0.00e+00 - 0 2660 2665 1220 0
# HE M779
42 3.694 70.465 0.848 0 U 2.410e+04 0.00e+00 - 0 2115 2119 1148 0
# HD1 L765
43 0.937 23.531 1.816 0 U 4.463e+05 0.00e+00 - 0 1143 1142 2465 0
# HB3 K48
44 0.937 23.531 0.712 0 U 7.868e+05 0.00e+00 - 0 1143 1142 2432 0
# HG2 I44
45 1.950 18.225 7.130 0 U 2.465e+05 0.00e+00 - 0 1212 1213 2779 0
# HZ2 W10
46 0.498 12.712 1.611 0 U -1.750e+04 0.00e+00 - 0 2430 2436 816 0
# HB A760
47 0.498 12.712 0.968 0 U 6.664e+03 0.00e+00 - 0 2430 2436 920 0
# HG2 T756
48 0.498 12.712 7.066 0 U -3.256e+03 0.00e+00 - 0 2430 2436 736 0
# HD Y757
49 0.498 12.712 6.595 0 U 8.068e+03 0.00e+00 - 0 2430 2436 777 0
# HE Y757
50 2.945 59.421 0.859 0 U -3.128e+03 0.00e+00 - 0 824 525 2714 0
# HD1 L73
51 0.627 23.772 6.800 0 U 6.211e+04 0.00e+00 - 0 1203 1204 2821 0
# HZ3 W10
52 0.121 25.511 1.611 0 U -3.095e+03 0.00e+00 - 0 2801 2929 816 0
# HB A760
53 0.121 25.511 0.968 0 U -3.941e+03 0.00e+00 - 0 2801 2929 920 0
# HG2 T756
54 0.121 25.511 7.066 0 U 7.466e+03 0.00e+00 - 0 2801 2929 736 0
# HD Y757
55 0.121 25.511 3.999 0 U 1.676e+04 0.00e+00 - 0 2801 2929 818 0
# HA T763
56 1.421 21.151 1.914 0 U -1.375e+07 0.00e+00 - 0 2640 2644 1219 0
# HG M779
57 1.421 21.151 1.921 0 U 1.351e+07 0.00e+00 - 0 2640 2644 1220 0
# HE M779
58 0.712 17.296 0.937 0 U 2.051e+04 0.00e+00 - 0 2432 2438 1143 0
# HD2 L753
59 0.712 17.296 6.595 0 U 2.660e+03 0.00e+00 - 0 2432 2438 777 0
# HE Y757
60 0.960 25.757 0.825 0 U 5.648e+05 0.00e+00 - 0 1018 1015 2453 0
# HB A46
61 0.960 25.757 3.963 0 U 3.768e+05 0.00e+00 - 0 1018 1015 2459 0
# HA2 G47
62 0.960 25.757 3.394 0 U 2.163e+05 0.00e+00 - 0 1018 1015 2797 0
# HA3 G47
63 3.963 45.575 0.960 0 U -6.048e+04 0.00e+00 - 0 2459 2461 1018 0
# HD1 L753
64 0.913 13.351 4.229 0 U 5.111e+03 0.00e+00 - 0 2802 2827 940 0
# HA M776
65 0.913 13.351 7.146 0 U 2.178e+05 0.00e+00 - 0 2802 2827 786 0
# HZ F780
66 0.913 13.351 7.215 0 U -2.220e+05 0.00e+00 - 0 2802 2827 785 0
# HE F780
67 0.913 13.351 6.595 0 U -1.815e+04 0.00e+00 - 0 2802 2827 777 0
# HE Y757
68 0.913 13.351 1.921 0 U 1.338e+04 0.00e+00 - 0 2802 2827 1220 0
# HE M779
69 1.914 31.839 1.421 0 U 5.604e+04 0.00e+00 - 0 1219 1218 2640 0
# HB A66
70 1.467 43.538 1.178 0 U 5.779e+04 0.00e+00 - 0 2682 2686 820 0
# HG2 T763
71 1.467 43.538 0.968 0 U -4.742e+04 0.00e+00 - 0 2682 2686 920 0
# HG2 T756
72 0.637 23.478 1.611 0 U 2.982e+05 0.00e+00 - 0 2927 2928 816 0
# HB A760
73 3.394 45.575 0.960 0 U -9.297e+03 0.00e+00 - 0 2797 2461 1018 0
# HD1 L753
74 1.369 42.331 1.611 0 U 6.340e+04 0.00e+00 - 0 2713 2718 816 0
# HB A760
75 0.859 24.964 1.178 0 U 3.091e+05 0.00e+00 - 0 2714 2719 820 0
# HG2 T763
76 0.859 24.964 1.611 0 U 3.838e+03 0.00e+00 - 0 2714 2719 816 0
# HB A760
77 0.859 24.964 0.968 0 U -1.003e+06 0.00e+00 - 0 2714 2719 920 0
# HG2 T756
78 0.859 24.964 2.945 0 U 1.715e+04 0.00e+00 - 0 2714 2719 824 0
# HA M761
79 0.859 24.964 3.999 0 U 7.325e+03 0.00e+00 - 0 2714 2719 818 0
# HA T763
80 0.859 24.964 0.861 0 U 8.749e+05 0.00e+00 - 0 2714 2719 1198 0
# HD1 L762
81 1.921 17.651 0.825 0 U 2.134e+07 0.00e+00 - 0 1220 1221 2453 0
# HB A46
82 1.921 17.651 1.695 0 U 1.513e+06 0.00e+00 - 0 1220 1221 2660 0
# HB I68
83 1.921 17.651 1.421 0 U 1.102e+06 0.00e+00 - 0 1220 1221 2640 0
# HB A66
84 1.921 17.651 0.913 0 U -1.832e+07 0.00e+00 - 0 1220 1221 2802 0
# HD1 I68
85 3.999 66.746 0.121 0 U -3.167e+04 0.00e+00 - 0 818 477 2801 0
# HD2 L70
86 3.999 66.746 0.859 0 U 4.325e+04 0.00e+00 - 0 818 477 2714 0
# HD1 L73
87 0.902 16.943 7.215 0 U -5.196e+03 0.00e+00 - 0 2828 2826 785 0
# HE F780
88 0.902 16.943 6.595 0 U 9.051e+02 0.00e+00 - 0 2828 2826 777 0
# HE Y757
89 0.861 22.311 0.859 0 U 3.773e+05 0.00e+00 - 0 1198 1197 2714 0
# HD1 L73
;
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-aliphatic 3 . 10.9872 ppm . . . 4.692 . . 30590 1
2 . . C 13 C . . 72 ppm . . . 38 . . 30590 1
3 . . H 1 H-aliphatic 1 . 10.9872 ppm . . . 4.692 . . 30590 1
stop_
save_