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 34288
_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 4.925 7.425 139.247 3 U 1.949E+05 0.000E+00 e 0 637 757 758 #QU 0.843 #SUP 0.84
2 4.462 7.419 139.191 3 U 2.905E+05 0.000E+00 e 0 499 757 758 #QU 0.779 #SUP 0.78
3 3.773 7.421 139.181 4 U 4.774E+05 0.000E+00 e 0 0 0 0
4 2.254 7.423 139.171 4 U 2.535E+05 0.000E+00 e 0 0 0 0
5 9.692 7.416 139.150 3 U 4.352E+05 0.000E+00 e 0 99 757 758 #QU 0.872 #SUP 0.87
6 6.966 7.418 139.135 3 U 5.816E+04 0.000E+00 e 0 749 757 758 #QU 0.998 #SUP 1.00
7 3.032 7.419 139.150 3 U 1.035E+06 0.000E+00 e 0 635 757 758 #QU 0.467 #SUP 0.47
8 0.992 7.418 139.150 4 U 7.297E+05 0.000E+00 e 0 0 0 0
9 4.747 7.783 138.880 4 U 2.600E+05 0.000E+00 e 0 0 0 0
10 1.831 7.775 138.844 4 U 1.079E+05 0.000E+00 e 0 0 0 0
11 4.558 7.780 138.789 4 U 6.539E+04 0.000E+00 e 0 0 0 0
12 7.021 7.762 138.661 3 U 1.061E+05 0.000E+00 e 0 747 763 764 #QU 0.432 #SUP 0.43
13 4.097 7.768 138.386 4 U 2.342E+05 0.000E+00 e 0 0 0 0
14 3.170 7.761 138.396 4 U 1.108E+05 0.000E+00 e 0 0 0 0
15 1.360 7.757 138.254 4 U 7.398E+04 0.000E+00 e 0 0 0 0
16 6.963 8.148 137.510 3 U 6.197E+04 0.000E+00 e 0 750 788 789 #QU 0.782 #SUP 0.78
17 6.976 8.170 137.066 3 U 7.552E+04 0.000E+00 e 0 750 788 789 #QU 0.525 #SUP 0.52
18 3.102 8.157 137.138 3 U 6.582E+04 0.000E+00 e 0 517 788 789 #QU 0.788 #SUP 0.79
19 9.544 7.224 133.853 3 U 1.030E+05 0.000E+00 e 0 91 745 746 #QU 0.931 #SUP 0.93
20 5.820 7.214 133.820 3 U 2.908E+05 0.000E+00 e 0 469 745 746 #QU 0.972 #SUP 0.97
21 3.034 7.212 133.790 3 U 9.415E+05 0.000E+00 e 0 618 745 746 #QU 0.824 #SUP 0.82
22 1.840 7.211 133.815 3 U 2.443E+05 0.000E+00 e 0 483 745 746 #QU 0.957 #SUP 0.96
23 8.604 7.212 133.667 3 U 5.822E+05 0.000E+00 e 0 278 745 746 #QU 0.946 #SUP 0.95
24 6.868 7.213 133.744 3 U 1.715E+06 0.000E+00 e 0 751 745 746 #QU 0.999 #SUP 1.00
25 7.421 7.209 133.688 4 U 1.191E+05 0.000E+00 e 0 0 0 0
26 0.852 7.211 133.713 3 U 4.194E+05 0.000E+00 e 0 484 745 746 #QU 0.942 #SUP 0.94
27 3.865 7.217 133.576 3 U 4.961E+04 0.000E+00 e 0 414 745 746 #QU 0.761 #SUP 0.76
28 0.853 7.215 133.504 3 U 4.948E+05 0.000E+00 e 0 484 745 746 #QU 0.766 #SUP 0.77
29 2.836 7.239 131.950 3 U 1.192E+05 0.000E+00 e 0 450 753 781 #QU 0.797 #SUP 0.80
30 2.834 7.248 131.695 3 U 7.803E+04 0.000E+00 e 0 450 753 781 #QU 1.000 #SUP 1.00
31 2.664 7.248 131.711 3 U 1.564E+05 0.000E+00 e 0 449 753 781 #QU 0.992 #SUP 0.99
32 4.565 7.106 131.690 3 U 8.724E+04 0.000E+00 e 0 448 752 780 #QU 0.850 #SUP 0.85
33 3.005 7.087 131.685 3 U 6.200E+04 0.000E+00 e 0 530 752 780 #QU 0.422 #SUP 0.42
34 7.090 7.250 131.649 4 U 6.853E+06 0.000E+00 e 0 0 0 0
35 0.874 7.252 131.604 3 U 2.290E+05 0.000E+00 e 0 484 753 781 #QU 0.624 #SUP 0.62
36 1.506 7.103 131.578 3 U 7.765E+04 0.000E+00 e 0 680 752 780 #QU 0.931 #SUP 0.93
37 2.828 7.095 131.563 3 U 2.493E+05 0.000E+00 e 0 450 752 780 #QU 0.944 #SUP 0.94
38 1.522 7.244 131.537 3 U 1.204E+05 0.000E+00 e 0 859 753 781 #QU 0.594 #SUP 0.59
39 8.314 7.103 131.492 3 U 7.653E+04 0.000E+00 e 0 270 752 780 #QU 0.992 #SUP 0.99
40 3.024 7.103 131.497 4 U 5.594E+04 0.000E+00 e 0 0 0 0
41 7.243 7.096 131.476 4 U 7.616E+06 0.000E+00 e 0 0 0 0
42 4.824 7.098 131.502 4 U 9.015E+04 0.000E+00 e 0 0 0 0
43 2.674 7.098 131.548 3 U 3.529E+05 0.000E+00 e 0 449 752 780 #QU 0.994 #SUP 0.99
44 0.847 7.099 131.527 4 U 3.109E+05 0.000E+00 e 0 0 0 0
45 3.993 7.106 131.430 4 U 9.544E+04 0.000E+00 e 0 0 0 0
46 2.881 7.302 129.815 3 U 8.064E+04 0.000E+00 e 0 473 782 783 #QU 0.726 #SUP 0.73
47 1.613 7.316 129.700 3 U 5.160E+04 0.000E+00 e 0 855 782 783 #QU 0.876 #SUP 0.88
48 0.758 7.316 129.688 4 U 5.856E+04 0.000E+00 e 0 0 0 0
49 4.464 7.309 129.667 3 U 7.519E+04 0.000E+00 e 0 443 782 783 #QU 0.665 #SUP 0.66
50 8.308 7.306 129.683 3 U 7.391E+04 0.000E+00 e 0 270 782 783 #QU 0.991 #SUP 0.99
51 2.732 6.979 129.079 3 U 6.979E+04 0.000E+00 e 0 632 749 777 #QU 0.832 #SUP 0.83
52 1.866 6.971 129.081 4 U 8.538E+04 0.000E+00 e 0 0 0 0 #QU 0.012
53 3.746 6.963 128.944 3 U 3.888E+05 0.000E+00 e 0 488 749 777 #QU 0.491 #SUP 0.49
54 3.455 6.964 128.964 3 U 2.172E+05 0.000E+00 e 0 633 749 777 #QU 0.761 #SUP 0.76
55 2.736 6.991 128.765 3 U 6.427E+04 0.000E+00 e 0 632 749 777 #QU 0.433 #SUP 0.43
56 3.130 6.962 128.709 4 U 1.041E+05 0.000E+00 e 0 0 0 0
57 2.742 6.964 128.577 3 U 5.665E+04 0.000E+00 e 0 632 749 777 #QU 0.458 #SUP 0.46
58 5.243 6.988 121.509 3 U 5.760E+04 0.000E+00 e 0 519 750 778 #QU 0.769 #SUP 0.77
59 3.119 6.986 121.514 3 U 5.506E+05 0.000E+00 e 0 517 750 778 #QU 0.956 #SUP 0.96
60 3.116 6.985 120.444 3 U 4.905E+05 0.000E+00 e 0 619 748 776 #QU 0.571 #SUP 0.57
61 4.722 6.979 120.288 3 U 1.036E+05 0.000E+00 e 0 617 748 776 #QU 0.920 #SUP 0.92
62 7.789 6.969 120.281 3 U 5.537E+04 0.000E+00 e 0 790 748 776 #QU 0.978 #SUP 0.98
63 0.867 6.966 120.240 3 U 1.334E+05 0.000E+00 e 0 484 748 776 #QU 0.758 #SUP 0.76
64 4.711 6.968 120.148 3 U 1.069E+05 0.000E+00 e 0 617 748 776 #QU 0.613 #SUP 0.61
65 3.105 6.968 120.179 3 U 3.897E+05 0.000E+00 e 0 619 748 776 #QU 0.746 #SUP 0.75
66 3.277 7.043 119.639 3 U 1.337E+05 0.000E+00 e 0 639 747 775 #QU 0.954 #SUP 0.95
67 4.790 7.037 119.644 4 U 1.232E+05 0.000E+00 e 0 0 0 0
68 7.754 7.049 119.573 3 U 5.294E+04 0.000E+00 e 0 763 747 775 #QU 0.991 #SUP 0.99
69 4.102 7.051 119.598 4 U 6.300E+04 0.000E+00 e 0 0 0 0
70 4.849 7.044 119.562 3 U 1.041E+05 0.000E+00 e 0 640 747 775 #QU 0.916 #SUP 0.92
71 3.127 7.043 119.547 3 U 2.368E+05 0.000E+00 e 0 638 747 775 #QU 0.834 #SUP 0.83
72 1.695 7.037 119.573 4 U 8.010E+04 0.000E+00 e 0 0 0 0
73 4.044 7.044 119.343 4 U 7.297E+04 0.000E+00 e 0 0 0 0 #QU 0.149
74 8.597 6.867 118.584 3 U 9.489E+04 0.000E+00 e 0 278 751 779 #QU 0.987 #SUP 0.99
75 1.956 6.867 118.594 3 U 3.444E+05 0.000E+00 e 0 465 751 779 #QU 0.836 #SUP 0.84
76 2.300 6.854 118.620 4 U 6.027E+04 0.000E+00 e 0 0 0 0
77 7.194 6.867 118.457 3 U 1.478E+06 0.000E+00 e 0 745 751 779 #QU 0.761 #SUP 0.76
78 5.077 6.867 118.411 3 U 2.324E+05 0.000E+00 e 0 628 751 779 #QU 0.970 #SUP 0.97
79 3.112 6.867 118.523 3 U 3.581E+05 0.000E+00 e 0 619 751 779 #QU 0.927 #SUP 0.93
80 1.848 6.869 118.467 3 U 3.629E+05 0.000E+00 e 0 464 751 779 #VC 0.47368 #QU 0.841 #SUP 0.99
483 751 779 #VC 0.52632 #QU 0.913 #SUP 0.99
81 2.136 6.864 118.337 3 U 1.085E+05 0.000E+00 e 0 533 751 779 #QU 0.926 #SUP 0.93
;
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 . . 11.0332 ppm . . . 4.707 . . 34288 1
2 . . N 15 N . . 29.9996 ppm . . . 116.5 . . 34288 1
3 . . H 1 HN . . 13.9767 ppm . . . 4.707 . . 34288 1
stop_
save_