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 34196
_Spectral_peak_list.ID 3
_Spectral_peak_list.Sample_ID 2
_Spectral_peak_list.Sample_label $sample_2
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Experiment_ID 2
_Spectral_peak_list.Experiment_name '3D 1H-13C 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 HC
# INAME 2 C
# INAME 3 H
# SPECTRUM C13NOESY HC C H
1 7.035 113.217 7.052 3 U 1.178E+07 0.000E+00 a 0 722 718 722 #QU 0.867 #SUP 0.87
3 7.034 113.163 6.773 3 U 3.557E+06 0.000E+00 a 0 722 718 723 #QU 0.825 #SUP 0.82
5 7.028 113.195 4.127 3 U 6.014E+05 0.000E+00 a 0 722 718 149 #QU 0.994 #SUP 0.99
6 7.034 113.182 1.703 3 U 5.815E+05 0.000E+00 a 0 722 718 225 #QU 0.952 #SUP 0.95
7 7.039 113.268 1.605 3 U 3.204E+06 0.000E+00 a 0 722 718 150 #QU 0.917 #SUP 0.92
8 7.037 113.031 1.101 3 U 2.965E+06 0.000E+00 a 0 722 718 621 #QU 0.905 #SUP 0.90
9 7.033 113.241 1.015 3 U 7.408E+05 0.000E+00 a 0 722 718 233 #VC 0.45684 #QU 0.617 #SUP 0.89
722 718 264 #VC 0.54316 #QU 0.718 #SUP 0.89
10 7.031 113.335 0.939 4 U 7.124E+05 0.000E+00 a 0 0 0 0
11 7.030 113.194 0.868 3 U 1.627E+06 0.000E+00 a 0 722 718 226 #QU 0.933 #SUP 0.93
12 7.032 113.424 0.796 3 U 2.057E+06 0.000E+00 a 0 722 718 626 #QU 0.909 #SUP 0.91
13 7.040 113.147 0.706 3 U 1.851E+06 0.000E+00 a 0 722 718 627 #QU 0.991 #SUP 0.99
15 7.027 113.207 -0.005 4 U 5.914E+05 0.000E+00 a 0 0 0 0
16 7.038 113.107 -4.011 4 U 1.043E+06 0.000E+00 a 0 0 0 0
17 6.457 123.468 8.182 3 U 2.286E+06 0.000E+00 a 0 715 710 702 #QU 0.993 #SUP 0.99
20 6.459 123.370 7.165 3 U 8.059E+05 0.000E+00 a 0 715 710 716 #QU 0.996 #SUP 1.00
21 6.459 123.309 6.492 4 U 2.335E+07 0.000E+00 a 0 0 0 0
22 6.459 123.355 4.451 3 U 6.194E+06 0.000E+00 a 0 715 710 704 #QU 0.820 #SUP 0.82
23 6.459 123.309 3.376 3 U 6.320E+05 0.000E+00 a 0 715 710 706 #QU 0.979 #SUP 0.98
24 6.459 123.340 4.138 3 U 3.332E+05 0.000E+00 a 0 715 710 678 #QU 0.818 #SUP 0.82
25 6.459 123.293 2.955 3 U 1.112E+06 0.000E+00 a 0 715 710 707 #QU 0.939 #SUP 0.94
26 6.459 123.340 2.847 3 U 5.101E+05 0.000E+00 a 0 715 710 692 #VC 0.50147 #QU 0.972 #SUP 1.00
715 710 693 #VC 0.49853 #QU 0.967 #SUP 1.00
27 6.459 123.293 1.870 3 U 1.597E+06 0.000E+00 a 0 715 710 682 #QU 0.929 #SUP 0.93
28 6.454 123.310 1.766 3 U 1.330E+06 0.000E+00 a 0 715 710 690 #QU 0.957 #SUP 0.96
29 6.450 123.323 1.399 3 U 1.101E+06 0.000E+00 a 0 715 710 685 #QU 0.897 #SUP 0.90
30 6.459 123.323 1.079 3 U 9.259E+06 0.000E+00 a 0 715 710 85 #QU 0.930 #SUP 0.93
31 6.461 123.323 0.933 3 U 3.315E+06 0.000E+00 a 0 715 710 858 #QU 0.685 #SUP 0.68
32 6.460 123.374 0.428 3 U 9.359E+05 0.000E+00 a 0 715 710 94 #QU 0.769 #SUP 0.77
33 6.461 123.744 -0.013 3 U 1.046E+06 0.000E+00 a 0 715 710 265 #QU 0.408 #SUP 0.41
34 6.462 123.323 -0.322 3 U 4.320E+05 0.000E+00 a 0 715 710 266 #QU 0.722 #SUP 0.72
35 6.463 123.558 -4.009 4 U 3.406E+06 0.000E+00 a 0 0 0 0
36 6.460 123.374 0.852 3 U 1.222E+06 0.000E+00 a 0 715 710 403 #QU 0.907 #SUP 0.91
37 6.460 123.409 0.772 3 U 1.444E+06 0.000E+00 a 0 715 710 859 #QU 0.997 #SUP 1.00
38 6.460 123.374 0.677 3 U 7.682E+05 0.000E+00 a 0 715 710 627 #QU 0.560 #SUP 0.56
42 6.750 123.379 7.050 3 U 3.431E+06 0.000E+00 a 0 723 721 722 #QU 0.859 #SUP 0.86
44 6.750 123.456 6.770 3 U 7.137E+06 0.000E+00 a 0 723 721 723 #QU 0.875 #SUP 0.88
47 6.749 123.452 6.110 4 U 1.517E+06 0.000E+00 a 0 0 0 0
50 6.751 123.596 1.739 3 U 8.409E+05 0.000E+00 a 0 723 721 225 #QU 0.707 #SUP 0.71
51 6.747 123.393 1.600 3 U 1.342E+06 0.000E+00 a 0 723 721 150 #VC 0.55887 #QU 0.945 #SUP 0.99
723 721 232 #VC 0.44113 #QU 0.745 #SUP 0.99
52 6.752 123.427 1.100 3 U 3.657E+06 0.000E+00 a 0 723 721 235 #QU 0.966 #SUP 0.97
55 6.751 123.499 0.865 3 U 3.122E+06 0.000E+00 a 0 723 721 226 #QU 0.856 #SUP 0.86
56 6.755 123.479 0.794 3 U 1.313E+06 0.000E+00 a 0 723 721 626 #QU 0.998 #SUP 1.00
57 6.746 123.582 0.683 3 U 2.048E+06 0.000E+00 a 0 723 721 627 #QU 0.692 #SUP 0.69
59 6.743 123.577 0.575 4 U 1.566E+06 0.000E+00 a 0 0 0 0
61 7.441 122.440 7.455 3 U 4.343E+07 0.000E+00 a 0 784 780 784 #QU 0.893 #SUP 0.89
62 7.441 122.379 4.161 3 U 4.646E+05 0.000E+00 a 0 784 780 678 #QU 0.984 #SUP 0.98
63 7.438 122.470 3.540 3 U 1.681E+06 0.000E+00 a 0 784 780 776 #QU 0.566 #SUP 0.57
64 7.441 122.434 7.560 3 U 3.591E+06 0.000E+00 a 0 784 780 771 #QU 0.531 #SUP 0.53
66 7.437 122.496 2.736 4 U 1.946E+06 0.000E+00 a 0 0 0 0
68 7.442 122.139 2.323 4 U 8.922E+05 0.000E+00 a 0 0 0 0
70 7.441 122.161 2.106 4 U 3.538E+06 0.000E+00 a 0 0 0 0
71 7.438 122.246 1.876 3 U 3.626E+06 0.000E+00 a 0 784 780 682 #VC 0.62569 #QU 0.793 #SUP 0.85
784 780 757 #VC 0.37431 #QU 0.260 #SUP 0.85
72 7.439 122.358 1.675 3 U 2.877E+06 0.000E+00 a 0 784 780 684 #QU 0.879 #SUP 0.88
73 7.436 122.578 1.409 3 U 2.079E+06 0.000E+00 a 0 784 780 685 #QU 0.818 #SUP 0.82
74 7.444 122.403 0.431 3 U 2.405E+06 0.000E+00 a 0 784 780 94 #QU 0.743 #SUP 0.74
75 7.441 122.432 1.749 3 U 1.661E+06 0.000E+00 a 0 784 780 690 #QU 0.864 #SUP 0.86
76 6.574 133.270 6.602 3 U 2.453E+07 0.000E+00 a 0 442 446 442 #QU 0.704 #SUP 0.70
77 6.573 133.270 6.436 4 U 3.574E+06 0.000E+00 a 0 0 0 0
78 6.572 133.310 2.528 3 U 2.882E+06 0.000E+00 a 0 442 446 439 #QU 0.715 #SUP 0.71
79 6.571 133.222 2.441 4 U 2.739E+06 0.000E+00 a 0 0 0 0
80 6.568 133.550 1.546 4 U 1.485E+06 0.000E+00 a 0 0 0 0
82 6.572 133.463 1.386 4 U 1.180E+06 0.000E+00 a 0 0 0 0
84 6.575 133.634 1.290 4 U 1.296E+06 0.000E+00 a 0 0 0 0
88 6.569 133.298 0.973 3 U 2.452E+06 0.000E+00 a 0 442 446 562 #VC 0.25203 #QU 0.474 #SUP 0.94
442 446 1601 #VC 0.42128 #QU 0.686 #SUP 0.94
442 446 1678 #VC 0.32668 #QU 0.654 #SUP 0.94
90 6.572 133.529 0.861 3 U 2.642E+06 0.000E+00 a 0 442 446 226 #QU 0.769 #SUP 0.77
95 6.572 133.254 0.572 4 U 1.883E+06 0.000E+00 a 0 0 0 0
97 6.577 133.208 -0.335 3 U 1.424E+06 0.000E+00 a 0 442 446 266 #QU 0.866 #SUP 0.87
98 6.843 132.526 0.994 3 U 4.660E+06 0.000E+00 a 0 285 289 936 #QU 0.531 #SUP 0.53
99 6.841 132.541 1.152 4 U 2.408E+06 0.000E+00 a 0 0 0 0
100 6.847 132.459 2.956 4 U 3.166E+06 0.000E+00 a 0 0 0 0
101 6.848 132.532 3.094 4 U 3.044E+06 0.000E+00 a 0 0 0 0
102 6.845 132.492 6.868 3 U 4.981E+07 0.000E+00 a 0 285 289 285 #QU 0.612 #SUP 0.61
75 6.842 132.353 8.694 3 U 3.012E+06 0.000E+00 a 0 285 289 278 #QU 0.658 #SUP 0.66
76 6.840 132.576 6.964 4 U 5.424E+06 0.000E+00 a 0 0 0 0
77 7.102 131.495 3.292 3 U 1.679E+06 0.000E+00 a 0 286 291 53 #QU 0.581 #SUP 0.58
78 7.107 131.450 1.010 3 U 3.956E+06 0.000E+00 a 0 286 291 107 #QU 0.735 #SUP 0.73
79 6.520 117.514 0.829 4 U 6.894E+05 0.000E+00 a 0 0 0 0
80 6.520 117.477 0.968 3 U 6.246E+05 0.000E+00 a 0 720 717 562 #VC 0.48877 #QU 0.342 #SUP 0.60
720 717 1678 #VC 0.51123 #QU 0.395 #SUP 0.60
81 6.515 117.480 1.643 4 U 5.410E+05 0.000E+00 a 0 0 0 0
82 6.536 117.357 1.651 4 U 5.660E+05 0.000E+00 a 0 0 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 . . 14 ppm . . . 4.7 . . 34196 3
2 . . C 13 C . . 68 ppm . . . 40 . . 34196 3
3 . . H 1 H . . 13 ppm . . . 4.7 . . 34196 3
stop_
save_