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 34289
_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.Experiment_ID 10
_Spectral_peak_list.Experiment_name '3D 1H-15N 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
#FORMAT xeasy3D
#INAME 1 H
#INAME 2 HC
#INAME 3 C
#SPECTRUM C13NOESY H HC C
1 7.220 7.483 139.477 4 U 3.325E+04 0.000E+00 e 0 0 0 0
2 0.977 7.472 139.548 3 U 2.180E+05 0.000E+00 e 0 593 904 905 #QU 0.920 #SUP 0.92
3 9.476 7.480 139.380 3 U 1.279E+05 0.000E+00 e 0 183 904 905 #QU 0.562 #SUP 0.56
4 3.702 7.476 139.380 3 U 1.614E+05 0.000E+00 e 0 809 904 905 #QU 0.790 #SUP 0.79
5 0.980 7.477 139.334 3 U 2.161E+05 0.000E+00 e 0 593 904 905 #QU 0.962 #SUP 0.96
6 4.583 7.473 139.431 3 U 1.008E+05 0.000E+00 e 0 611 904 905 #QU 0.779 #SUP 0.78
7 3.224 7.472 139.395 3 U 3.324E+05 0.000E+00 e 0 641 904 905 #QU 0.734 #SUP 0.73
8 2.175 7.471 139.380 3 U 9.460E+04 0.000E+00 e 0 714 904 905 #QU 0.234 #SUP 0.23
9 1.402 7.478 139.253 3 U 1.261E+05 0.000E+00 e 0 640 904 905 #QU 0.598 #SUP 0.60
10 2.155 7.463 139.314 3 U 7.288E+04 0.000E+00 e 0 613 904 905 #VC 0.46900 #QU 0.600 #SUP 0.88
714 904 905 #VC 0.53100 #QU 0.703 #SUP 0.88
11 4.729 7.774 138.906 4 U 3.347E+05 0.000E+00 e 0 0 0 0
12 2.034 7.768 138.921 4 U 6.517E+04 0.000E+00 e 0 0 0 0
13 1.851 7.771 138.827 3 U 3.805E+04 0.000E+00 e 0 692 906 907 #QU 0.498 #SUP 0.50
14 7.650 7.814 138.193 4 U 2.013E+05 0.000E+00 e 0 0 0 0
15 9.875 7.843 138.091 4 U 2.787E+04 0.000E+00 e 0 0 0 0
16 3.038 7.831 137.938 3 U 3.288E+04 0.000E+00 e 0 545 908 909 #QU 0.552 #SUP 0.55
17 3.196 8.036 137.597 3 U 2.933E+04 0.000E+00 e 0 633 910 911 #QU 0.546 #SUP 0.55
18 7.058 8.035 137.390 3 U 3.911E+04 0.000E+00 e 0 886 910 911 #QU 0.626 #SUP 0.63
19 3.196 8.036 137.288 3 U 3.939E+04 0.000E+00 e 0 633 910 911 #QU 0.693 #SUP 0.69
20 7.338 7.207 133.948 4 U 1.940E+05 0.000E+00 e 0 0 0 0
21 8.473 7.208 133.897 3 U 1.535E+05 0.000E+00 e 0 380 880 895 #QU 0.984 #SUP 0.98
22 6.862 7.207 133.826 3 U 7.849E+05 0.000E+00 e 0 888 880 895 #QU 0.999 #SUP 1.00
23 4.669 7.208 133.902 3 U 1.085E+05 0.000E+00 e 0 581 880 895 #QU 0.948 #SUP 0.95
24 7.441 7.204 133.897 4 U 2.684E+04 0.000E+00 e 0 0 0 0
25 3.610 7.205 133.897 3 U 4.147E+04 0.000E+00 e 0 801 880 895 #VC 0.50029 #QU 0.999 #SUP 1.00
595 880 895 #VC 0.49971 #QU 0.978 #SUP 1.00
26 1.850 7.202 133.892 3 U 1.103E+05 0.000E+00 e 0 579 880 895 #VC 0.50099 #QU 0.982 #SUP 1.00
599 880 895 #VC 0.49901 #QU 0.993 #SUP 1.00
27 9.872 7.209 133.815 3 U 4.465E+04 0.000E+00 e 0 130 880 895 #QU 0.995 #SUP 0.99
28 3.068 7.208 133.790 3 U 7.033E+05 0.000E+00 e 0 647 880 895 #QU 0.892 #SUP 0.89
29 2.768 7.208 133.754 4 U 1.119E+05 0.000E+00 e 0 0 0 0
30 8.697 7.204 133.800 3 U 1.623E+05 0.000E+00 e 0 120 880 895 #QU 0.995 #SUP 1.00
31 5.808 7.204 133.805 3 U 1.382E+05 0.000E+00 e 0 584 880 895 #QU 0.985 #SUP 0.98
32 5.491 7.203 133.719 3 U 3.184E+04 0.000E+00 e 0 568 880 895 #QU 0.969 #SUP 0.97
33 0.849 7.205 133.815 3 U 2.118E+05 0.000E+00 e 0 598 880 895 #QU 0.977 #SUP 0.98
34 4.664 7.204 133.617 3 U 9.223E+04 0.000E+00 e 0 581 880 895 #QU 0.845 #SUP 0.84
35 2.708 7.115 131.879 3 U 1.324E+05 0.000E+00 e 0 565 881 896 #QU 0.831 #SUP 0.83
36 2.728 7.261 131.772 3 U 2.552E+04 0.000E+00 e 0 565 882 899 #QU 0.847 #SUP 0.85
37 7.098 7.261 131.645 4 U 3.110E+06 0.000E+00 e 0 0 0 0
38 2.819 7.111 131.701 3 U 1.377E+05 0.000E+00 e 0 566 881 896 #QU 0.940 #SUP 0.94
39 8.458 7.115 131.482 4 U 3.525E+04 0.000E+00 e 0 0 0 0
40 2.701 7.112 131.558 3 U 1.549E+05 0.000E+00 e 0 565 881 896 #QU 0.891 #SUP 0.89
41 0.841 7.111 131.573 4 U 1.368E+05 0.000E+00 e 0 0 0 0
42 3.000 7.259 131.461 4 U 4.757E+04 0.000E+00 e 0 0 0 0 #QU 0.024
43 7.255 7.112 131.436 4 U 3.343E+06 0.000E+00 e 0 0 0 0
44 6.846 7.111 131.441 4 U 4.940E+04 0.000E+00 e 0 0 0 0
45 3.028 7.111 131.451 4 U 3.899E+04 0.000E+00 e 0 0 0 0
46 1.918 7.286 129.933 3 U 4.340E+04 0.000E+00 e 0 710 900 901 #QU 0.948 #SUP 0.95
47 1.542 7.300 129.917 3 U 3.274E+04 0.000E+00 e 0 592 900 901 #QU 0.712 #SUP 0.71
48 2.725 6.920 128.562 3 U 4.130E+04 0.000E+00 e 0 784 887 894 #QU 0.531 #SUP 0.53
49 2.705 6.901 128.648 3 U 4.043E+04 0.000E+00 e 0 784 887 894 #QU 0.677 #SUP 0.68
50 8.473 6.912 128.541 3 U 1.175E+05 0.000E+00 e 0 34 887 894 #QU 0.686 #SUP 0.69
51 3.772 6.900 128.506 3 U 1.789E+05 0.000E+00 e 0 603 887 894 #QU 0.846 #SUP 0.85
52 2.693 6.897 128.516 3 U 3.404E+04 0.000E+00 e 0 784 887 894 #QU 0.509 #SUP 0.51
53 8.457 6.896 128.327 3 U 3.095E+04 0.000E+00 e 0 34 887 894 #QU 0.982 #SUP 0.98
54 2.710 6.896 128.348 3 U 2.850E+04 0.000E+00 e 0 784 887 894 #QU 0.974 #SUP 0.97
55 2.738 6.900 128.205 3 U 3.593E+04 0.000E+00 e 0 784 887 894 #QU 0.690 #SUP 0.69
56 2.154 6.901 128.190 3 U 4.148E+04 0.000E+00 e 0 705 887 894 #VC 0.57458 #QU 0.942 #SUP 0.98
708 887 894 #VC 0.42542 #QU 0.653 #SUP 0.98
57 3.042 7.027 121.749 3 U 9.804E+04 0.000E+00 e 0 634 886 889 #QU 0.623 #SUP 0.62
58 3.032 7.026 121.234 3 U 1.079E+05 0.000E+00 e 0 634 886 889 #QU 0.794 #SUP 0.79
59 3.179 7.024 120.984 3 U 6.766E+04 0.000E+00 e 0 633 886 889 #QU 0.578 #SUP 0.58
60 3.420 7.398 120.138 3 U 8.388E+04 0.000E+00 e 0 812 884 892 #QU 0.619 #SUP 0.62
61 3.435 7.398 120.001 3 U 8.056E+04 0.000E+00 e 0 812 884 892 #QU 0.472 #SUP 0.47
62 2.706 7.401 119.899 3 U 5.751E+04 0.000E+00 e 0 811 884 892 #QU 0.911 #SUP 0.91
63 7.101 6.960 119.914 4 U 1.541E+05 0.000E+00 e 0 0 0 0
64 0.838 6.960 119.919 3 U 7.888E+04 0.000E+00 e 0 598 883 890 #QU 0.830 #SUP 0.83
65 4.725 6.957 119.889 3 U 1.790E+05 0.000E+00 e 0 782 883 890 #QU 0.620 #SUP 0.62
66 3.095 6.960 119.817 4 U 2.202E+05 0.000E+00 e 0 0 0 0
67 2.059 6.960 119.766 3 U 1.513E+05 0.000E+00 e 0 574 883 890 #QU 0.449 #SUP 0.45
68 4.968 7.399 119.751 3 U 2.068E+05 0.000E+00 e 0 810 884 892 #QU 0.478 #SUP 0.48
69 0.833 6.956 119.705 3 U 8.908E+04 0.000E+00 e 0 598 883 890 #QU 0.787 #SUP 0.79
70 3.413 7.400 119.563 3 U 7.645E+04 0.000E+00 e 0 812 884 892 #QU 0.938 #SUP 0.94
71 7.196 6.960 119.624 4 U 7.508E+04 0.000E+00 e 0 0 0 0
72 3.178 7.084 119.486 3 U 1.178E+05 0.000E+00 e 0 814 885 891 #QU 0.917 #SUP 0.92
73 3.168 7.085 119.236 3 U 1.132E+05 0.000E+00 e 0 814 885 891 #QU 0.955 #SUP 0.95
74 3.887 6.854 118.594 3 U 2.496E+04 0.000E+00 e 0 857 888 893 #QU 0.600 #SUP 0.60
75 7.190 6.864 118.477 3 U 6.262E+05 0.000E+00 e 0 880 888 893 #QU 0.854 #SUP 0.85
76 5.062 6.866 118.475 3 U 7.829E+04 0.000E+00 e 0 799 888 893 #QU 0.984 #SUP 0.98
77 3.094 6.864 118.554 3 U 3.203E+05 0.000E+00 e 0 800 888 893 #QU 0.610 #SUP 0.61
78 1.910 6.865 118.569 4 U 2.314E+05 0.000E+00 e 0 0 0 0
79 2.125 6.859 118.569 3 U 8.411E+04 0.000E+00 e 0 648 888 893 #QU 0.580 #SUP 0.58
80 4.725 6.871 118.401 4 U 7.044E+04 0.000E+00 e 0 0 0 0
81 8.486 6.864 118.380 3 U 5.583E+04 0.000E+00 e 0 380 888 893 #QU 0.977 #SUP 0.98
82 0.842 6.857 118.411 3 U 6.693E+04 0.000E+00 e 0 598 888 893 #QU 0.996 #SUP 1.00
83 0.848 6.870 118.227 3 U 6.010E+04 0.000E+00 e 0 598 888 893 #QU 0.862 #SUP 0.86
84 7.877 6.857 118.263 3 U 2.532E+04 0.000E+00 e 0 173 888 893 #QU 0.955 #SUP 0.95
85 8.285 6.855 118.304 4 U 5.885E+04 0.000E+00 e 0 0 0 0
86 3.595 6.866 118.174 3 U 5.746E+04 0.000E+00 e 0 801 888 893 #QU 0.658 #SUP 0.66
;
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 . . 13 ppm . . . 4.703 . . 34289 1
2 . . N 15 N . . 35 ppm . . . 116.8 . . 34289 1
3 . . H 1 HN . . 20.0042 ppm . . . 4.703 . . 34289 1
stop_
save_