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 30341
_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 2
_Spectral_peak_list.Experiment_name '2D 1H-1H NOESY'
_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 .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Number of dimensions 2
# INAME 1 H
# INAME 2 H
# CYANAFORMAT HH
1 9.004 4.302 1 T -5.449e+06 0.00e+00 a 0 H.8 HA.7
2 9.004 3.898 1 T -5.241e+06 0.00e+00 a 0 H.8 HA.8
3 8.203 4.200 1 T -4.585e+06 0.00e+00 a 0 - -
4 7.983 4.640 1 T -5.209e+06 0.00e+00 a 0 H.7 HA.6
5 7.900 4.199 1 T -4.842e+06 0.00e+00 a 0 H.3 HA.2
6 7.276 4.287 1 T -7.602e+05 0.00e+00 a 0 H.4 HA.3
7 7.981 7.474 1 T -7.888e+05 0.00e+00 a 0 H.7 H.2
8 8.203 7.471 1 T -2.683e+06 0.00e+00 a 0 H.1 H.2
9 8.281 7.529 1 T -2.564e+06 0.00e+00 a 0 - -
10 7.371 6.914 1 T -1.533e+06 0.00e+00 a 0 - -
11 7.864 7.589 1 T -2.974e+06 0.00e+00 a 0 - -
12 7.863 6.914 1 T -7.465e+05 0.00e+00 a 0 - -
13 8.777 7.576 1 T -2.247e+06 0.00e+00 a 0 - -
14 7.898 7.279 1 T -5.572e+06 0.00e+00 a 0 H.3 H.4
15 7.981 4.301 1 T -1.968e+06 0.00e+00 a 0 H.7 HA.7
16 8.204 3.896 1 T -1.482e+06 0.00e+00 a 0 H.1 HA.8
17 7.473 4.202 1 T -2.521e+06 0.00e+00 a 0 H.2 HA.2
18 7.276 4.018 1 T -1.297e+06 0.00e+00 a 0 H.4 HA.4
19 7.898 4.286 1 T -1.671e+06 0.00e+00 a 0 H.3 HA.3
20 7.898 3.003 1 T -2.214e+06 0.00e+00 a 0 H.3 HB3.3
21 7.898 2.935 1 T -1.475e+06 0.00e+00 a 0 H.3 HB2.3
22 8.204 2.911 1 T -3.241e+06 0.00e+00 a 0 H.1 HB3.1
23 8.204 2.686 1 T -1.082e+06 0.00e+00 a 0 H.1 HB2.1
24 8.204 2.602 1 T -1.838e+06 0.00e+00 a 0 H.1 HB2.8
25 7.981 2.354 1 T -1.165e+06 0.00e+00 a 0 H.7 HB2.2
26 7.898 2.352 1 T -8.348e+05 0.00e+00 a 0 H.3 HB2.2
27 7.473 2.352 1 T -1.998e+06 0.00e+00 a 0 H.2 HB2.2
29 7.276 2.935 1 T -1.206e+06 0.00e+00 a 0 H.4 HB2.3
30 7.276 2.998 1 T -1.350e+06 0.00e+00 a 0 H.4 HB3.3
31 9.004 2.605 1 T -6.438e+05 0.00e+00 a 0 H.8 HB2.8
32 9.004 2.906 1 T -5.120e+05 0.00e+00 a 0 H.8 HB3.8
33 9.004 1.572 1 T -1.074e+06 0.00e+00 a 0 H.8 HB.7
34 7.981 1.570 1 T -9.794e+05 0.00e+00 a 0 H.7 HB.7
35 7.981 1.786 1 T -8.517e+05 0.00e+00 a 0 H.7 HG2.5
36 7.981 1.332 1 T -6.753e+05 0.00e+00 a 0 - -
37 7.981 0.867 1 T -1.147e+06 0.00e+00 a 0 H.7 QD1.2
38 7.899 0.867 1 T -1.323e+06 0.00e+00 a 0 H.3 QD1.2
39 7.899 1.348 1 T -2.173e+06 0.00e+00 a 0 H.3 HB3.2
40 7.473 1.348 1 T -9.200e+05 0.00e+00 a 0 H.2 HB3.2
41 7.275 1.347 1 T -1.396e+06 0.00e+00 a 0 H.4 HB3.2
42 7.473 1.741 1 T -1.721e+06 0.00e+00 a 0 - -
43 7.275 1.945 1 T -1.429e+06 0.00e+00 a 0 H.4 HB.4
44 4.206 1.747 1 T -9.784e+05 0.00e+00 a 0 HA.2 HG.2
45 4.300 1.321 1 T -1.231e+06 0.00e+00 a 0 HA.7 QD1.7
47 4.013 3.568 1 T -2.005e+06 0.00e+00 a 0 HA.4 HD2.6
48 3.899 2.912 1 T -2.353e+06 0.00e+00 a 0 HA.8 HB3.1
49 3.899 2.621 1 T -1.228e+06 0.00e+00 a 0 - -
50 4.199 2.909 1 T -2.937e+06 0.00e+00 a 0 HA.1 HB3.1
51 4.202 2.679 1 T -2.115e+06 0.00e+00 a 0 HA.1 HB2.1
52 4.289 2.344 1 T -1.995e+06 0.00e+00 a 0 HA.3 HB2.2
53 4.854 4.009 1 T -7.894e+06 0.00e+00 a 0 HA.5 HA.4
54 4.513 4.011 1 T -2.995e+06 0.00e+00 a 0 - -
55 4.639 2.134 1 T -2.851e+06 0.00e+00 a 0 HA.6 HG2.6
57 4.528 2.351 1 T -1.217e+06 0.00e+00 a 0 - -
60 4.854 3.564 1 T -4.697e+06 0.00e+00 a 0 HA.5 HD2.6
61 4.854 3.452 1 T -3.944e+06 0.00e+00 a 0 - -
64 4.640 3.564 1 T -6.330e+05 0.00e+00 a 0 HA.6 HD2.6
65 4.854 2.322 1 T -2.894e+06 0.00e+00 a 0 HA.5 HB2.5
66 4.854 1.797 1 T -2.766e+06 0.00e+00 a 0 HA.5 HG2.5
67 4.636 1.773 1 T -3.995e+06 0.00e+00 a 0 HA.6 HB2.6
68 4.299 1.571 1 T -3.153e+06 0.00e+00 a 0 HA.7 HB.7
70 4.201 0.863 1 T -4.101e+06 0.00e+00 a 0 HA.2 QD1.2
72 3.625 0.885 1 T -2.215e+06 0.00e+00 a 0 HD2.5 QG2.4
73 4.197 1.353 1 T -3.221e+06 0.00e+00 a 0 HA.2 HB3.2
75 7.983 2.132 1 T -3.693e+05 0.00e+00 a 0 H.7 HG2.6
76 9.000 1.320 1 T -5.204e+05 0.00e+00 a 0 H.8 QD1.7
77 4.636 1.933 1 T -6.349e+05 0.00e+00 a 0 HA.6 HB3.6
78 4.636 1.998 1 T -6.843e+05 0.00e+00 a 0 HA.6 HG3.6
79 4.856 1.933 1 T -5.053e+05 0.00e+00 a 0 HA.5 HB3.6
80 4.856 1.998 1 T -4.453e+05 0.00e+00 a 0 HA.5 HG3.6
81 4.409 1.933 1 T -2.046e+06 0.00e+00 a 0 - -
82 4.549 2.161 1 T -2.147e+06 0.00e+00 a 0 - -
83 4.205 2.354 1 T -1.102e+06 0.00e+00 a 0 HA.2 HB2.2
84 2.321 1.786 1 T -1.291e+07 0.00e+00 a 0 HB2.5 HG2.5
85 4.285 2.929 1 T -3.110e+06 0.00e+00 a 0 HA.3 HB2.3
86 4.285 3.005 1 T -1.357e+06 0.00e+00 a 0 HA.3 HB3.3
87 4.289 1.945 1 T -1.512e+06 0.00e+00 a 0 HA.3 HB.4
88 2.351 1.553 1 T -5.681e+06 0.00e+00 a 0 - -
89 4.527 2.717 1 T -2.127e+06 0.00e+00 a 0 - -
90 4.080 3.663 1 T -4.026e+06 0.00e+00 a 0 - -
91 8.800 6.877 1 T -1.575e+06 0.00e+00 a 0 - -
92 8.282 7.200 1 T -2.351e+06 0.00e+00 a 0 - -
93 5.008 4.131 1 T -3.321e+06 0.00e+00 a 0 - -
94 4.297 3.560 1 T -3.359e+06 0.00e+00 a 0 - -
95 4.299 3.719 1 T -2.447e+06 0.00e+00 a 0 - -
96 4.298 0.869 1 T -2.798e+06 0.00e+00 a 0 HA.7 HG12.7
97 2.356 1.350 1 T -6.515e+06 0.00e+00 a 0 HB2.2 HB3.2
98 1.925 1.524 1 T -4.532e+06 0.00e+00 a 0 - -
99 1.950 0.866 1 T -6.887e+06 0.00e+00 a 0 - -
100 1.789 0.722 1 T -1.468e+06 0.00e+00 a 0 HG2.5 QG2.7
101 1.574 0.722 1 T -1.986e+06 0.00e+00 a 0 HB.7 QG2.7
102 7.204 7.035 1 T -3.347e+07 0.00e+00 a 0 - -
103 7.120 7.031 1 T -3.030e+07 0.00e+00 a 0 - -
104 7.899 7.474 1 T -6.156e+05 0.00e+00 a 0 - -
105 4.854 0.869 1 T -1.993e+06 0.00e+00 a 0 HA.5 QD1.2
106 4.010 0.867 1 T -4.092e+06 0.00e+00 a 0 - -
107 4.287 4.535 1 T -6.722e+06 0.00e+00 a 0 - -
108 4.298 0.722 1 T -1.404e+06 0.00e+00 a 0 HA.7 QG2.7
109 4.297 0.914 1 T -2.139e+06 0.00e+00 a 0 - -
113 2.930 2.352 1 T -2.740e+06 0.00e+00 a 0 - -
114 4.297 1.794 1 T -7.178e+05 0.00e+00 a 0 HA.7 HG2.5
;
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 . . 12 ppm . . . 4.7 . . 30341 3
2 . . H 1 H . . 12 ppm . . . 4.7 . . 30341 3
stop_
save_