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 30786
_Spectral_peak_list.ID 3
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 4
_Spectral_peak_list.Sample_label $sample_4
_Spectral_peak_list.Sample_condition_list_ID 4
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_4
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 35
_Spectral_peak_list.Experiment_name '3D CN_simNOESY'
_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 C
#INAME 3 HC
#SPECTRUM C13NOESY H C HC
1 3.660 130.598 7.033 1 U 8.26e+04 0 e 0 0 0 0
# 82618
2 3.815 130.446 7.024 1 U 7.69e+04 0 e 0 0 0 0
# 76861
3 8.109 126.270 7.155 1 U 1.91e+05 0 e 0 0 0 0
# 190796
4 8.471 133.203 7.174 1 U 1.65e+05 0 e 0 0 0 0
# 165298
5 4.224 133.618 7.176 1 U 1.82e+05 0 e 0 0 0 0
# 182204
6 4.797 118.173 6.724 1 U 2.68e+05 0 e 0 0 0 0
# 268252
7 3.771 118.159 6.728 1 U 1.7e+05 0 e 0 0 0 0
# 170154
8 3.022 118.127 6.732 1 U 1.37e+05 0 e 0 0 0 0
# 137440
9 1.025 118.146 6.724 1 U 5.74e+05 0 e 0 0 0 0
# 573686
10 4.594 138.304 7.808 1 U 1.36e+05 0 e 0 0 0 0
# 136345
11 8.905 132.412 6.928 1 U 1.46e+05 0 e 0 0 0 0
# 145952
12 7.939 132.230 6.931 1 U 1.5e+05 0 e 0 0 0 0
# 150428
13 4.297 132.360 6.925 1 U 2.69e+05 0 e 0 0 0 0
# 269108
14 2.966 132.367 6.928 1 U 3.6e+05 0 e 0 0 0 0
# 359757
15 3.284 120.759 7.575 1 U 5.33e+05 0 e 0 0 0 0
# 533139
16 6.752 120.727 7.559 1 U 1.67e+05 0 e 0 0 0 0
# 167354
17 7.180 120.531 7.564 1 U 5.17e+05 0 e 0 0 0 0
# 517045
18 1.536 120.158 7.166 1 U 1.81e+05 0 e 0 0 0 0
# 180861
19 7.724 120.318 7.189 1 U 3.11e+05 0 e 0 0 0 0
# 310680
20 0.883 127.020 7.259 1 U 1.33e+05 0 e 0 0 0 0
# 133256
21 3.696 128.204 6.931 1 U 1.51e+05 0 e 0 0 0 0
# 150737
22 1.410 128.191 6.927 1 U 1.15e+05 0 e 0 0 0 0
# 114676
23 0.907 128.089 6.930 1 U 8.43e+05 0 e 0 0 0 0
# 842526
24 3.060 130.907 7.190 1 U 1.55e+05 0 e 0 0 0 0
# 155355
25 1.363 117.852 6.790 1 U 2e+05 0 e 0 0 0 0
# 200339
26 4.678 120.473 7.569 1 U 1.8e+05 0 e 0 0 0 0
# 180305
27 4.449 126.434 7.151 1 U 1.44e+05 0 e 0 0 0 0
# 144324
28 4.068 126.457 7.157 1 U 1.41e+05 0 e 0 0 0 0
# 140618
29 2.983 138.274 7.807 1 U 2.19e+05 0 e 0 0 0 0
# 219096
30 1.565 120.894 7.586 1 U 1.4e+05 0 e 0 0 0 0
# 140291
31 4.161 120.827 7.583 1 U 1.44e+05 0 e 0 0 0 0
# 144429
32 4.151 120.737 7.585 1 U 1.43e+05 0 e 0 0 0 0
# 142574
33 7.578 120.765 7.575 1 U 3.07e+07 0 e 0 0 0 0
# 30738196
34 7.143 121.742 6.723 1 U 5.98e+05 0 e 0 0 0 0
# 598199
35 0.988 121.952 6.721 1 U 1.1e+05 0 e 0 0 0 0
# 109807
36 0.681 121.845 6.720 1 U 1.07e+05 0 e 0 0 0 0
# 107481
37 1.523 121.596 6.718 1 U 1.58e+05 0 e 0 0 0 0
# 157746
38 7.131 114.466 7.409 1 U 3.93e+05 0 e 0 0 0 0
# 393493
39 0.636 114.238 7.403 1 U 1.15e+05 0 e 0 0 0 0
# 115498
40 0.636 114.238 7.403 1 U 1.15e+05 0 e 0 0 0 0
# 115498
41 7.522 130.943 7.188 1 U 1.07e+05 0 e 0 0 0 0
# 107398
42 0.532 128.107 6.932 1 U 1.06e+05 0 e 0 0 0 0
# 105912
43 0.954 130.713 7.188 1 U 2.89e+05 0 e 0 0 0 0
# 289136
44 1.051 132.276 6.930 1 U 4.17e+05 0 e 0 0 0 0
# 416937
45 0.527 132.545 6.924 1 U 1.59e+05 0 e 0 0 0 0
# 158585
46 0.807 132.506 6.936 1 U 1.37e+05 0 e 0 0 0 0
# 137410
47 1.907 120.276 7.161 1 U 9.49e+04 0 e 0 0 0 0
# 94863
48 0.692 124.956 7.132 1 U 1.1e+05 0 e 0 0 0 0
# 109502
49 0.510 124.862 7.131 1 U 1.13e+05 0 e 0 0 0 0
# 112779
50 4.755 124.970 7.132 1 U 1.02e+05 0 e 0 0 0 0
# 102313
51 0.767 118.184 6.726 1 U 1.95e+05 0 e 0 0 0 0
# 194543
52 4.379 133.264 7.076 1 U 1.21e+05 0 e 0 196 225 242
# 120732
53 4.588 133.273 7.079 1 U 3.29e+05 0 e 0 232 225 242
# 329188
54 2.923 133.216 7.082 1 U 5.46e+05 0 e 0 234 225 242
# 545834
55 3.057 133.226 7.082 1 U 5.68e+05 0 e 0 235 225 242
# 568289
56 7.081 133.230 7.082 1 U 3.06e+07 0 e 0 242 225 242
# 30594486
57 6.783 133.232 7.084 1 U 2.08e+06 0 e 0 243 225 242
# 2082547
58 4.001 133.477 7.178 1 U 3.46e+05 0 e 0 478 470 485
# 345726
59 2.958 133.442 7.176 1 U 4.86e+05 0 e 0 479 470 485
# 485864
60 3.272 133.445 7.177 1 U 4.93e+05 0 e 0 480 470 485
# 493470
61 3.235 118.046 6.791 1 U 1.61e+05 0 e 0 480 473 486
# 160612
62 7.176 133.450 7.177 1 U 8.08e+06 0 e 0 485 470 485
# 8084500
63 7.124 118.034 6.787 1 U 2.73e+06 0 e 0 485 473 486
# 2728284
64 6.796 133.445 7.177 1 U 1.9e+06 0 e 0 486 470 485
# 1896198
65 6.786 118.104 6.787 1 U 4.38e+07 0 e 0 486 473 486
# 43801344
66 8.452 133.458 7.179 1 U 1.45e+05 0 e 0 579 470 485
# 145099
67 3.077 118.059 6.790 1 U 3.01e+05 0 e 0 595 473 486
# 301173
68 1.405 133.556 7.180 1 U 1.24e+05 0 e 0 598 470 485
# 123678
69 1.442 118.123 6.735 1 U 1.38e+05 0 e 0 975 1945 1956
# 137911
70 1.205 118.255 6.732 1 U 1.39e+05 0 e 0 978 1945 1956
# 138737
71 1.206 118.046 6.729 1 U 1.3e+05 0 e 0 978 1945 1956
# 130245
72 0.536 114.323 7.407 1 U 1.29e+05 0 e 0 1057 2086 2095
# 129277
73 7.809 138.247 7.808 1 U 9.84e+07 0 e 0 1075 1068 1075
# 98368056
74 7.585 120.091 7.163 1 U 2.19e+05 0 e 0 1438 2085 2094
# 218768
75 5.428 121.670 6.718 1 U 2.63e+05 0 e 0 1439 2087 2096
# 263206
76 9.081 121.844 6.720 1 U 1.26e+05 0 e 0 1463 2087 2096
# 125798
77 6.931 128.121 6.930 1 U 2.45e+06 0 e 0 1594 1584 1594
# 2449162
78 7.188 130.905 7.188 1 U 3.74e+06 0 e 0 1597 1576 1597
# 3739627
79 7.185 130.692 7.036 1 U 1.3e+06 0 e 0 1597 1579 1598
# 1295166
80 7.035 130.911 7.192 1 U 1.07e+06 0 e 0 1598 1576 1597
# 1070863
81 7.034 130.685 7.037 1 U 3.96e+06 0 e 0 1598 1579 1598
# 3963616
82 7.049 128.122 6.934 1 U 5.64e+05 0 e 0 1598 1584 1594
# 564191
83 0.586 130.848 7.187 1 U 1.61e+05 0 e 0 1678 1576 1597
# 161460
84 0.948 130.700 7.031 1 U 3.96e+05 0 e 0 1867 1580 1592
# 396155
85 0.948 130.700 7.031 1 U 3.96e+05 0 e 0 1867 1581 1593
# 396155
86 3.302 132.323 6.929 1 U 2.95e+05 0 e 0 1924 1942 1955
# 294629
87 3.306 118.271 6.721 1 U 1.15e+05 0 e 0 1924 1945 1956
# 115069
88 6.928 132.327 6.930 1 U 2.71e+06 0 e 0 1955 1942 1955
# 2705065
89 6.920 118.207 6.726 1 U 1.18e+06 0 e 0 1955 1945 1956
# 1183702
90 6.726 132.333 6.930 1 U 1.09e+06 0 e 0 1956 1942 1955
# 1086265
91 6.724 118.192 6.727 1 U 3.47e+06 0 e 0 1956 1945 1956
# 3466955
92 2.971 120.192 7.169 1 U 1.47e+05 0 e 0 2090 2085 2094
# 146962
93 7.165 126.320 7.161 1 U 2.07e+06 0 e 0 2092 2084 2092
# 2072985
94 10.167 126.410 7.157 1 U 5.09e+05 0 e 0 2093 2084 2092
# 509395
95 10.166 114.413 7.405 1 U 1.74e+05 0 e 0 2093 2086 2095
# 174299
96 7.146 120.109 7.169 1 U 1.4e+06 0 e 0 2094 2085 2094
# 1397584
97 7.125 125.060 7.133 1 U 5.99e+05 0 e 0 3077 3076 3077
# 599435
98 7.412 124.756 7.132 1 U 3.93e+05 0 e 0 2095 3076 3077
# 392672
99 7.418 114.410 7.409 1 U 2.06e+06 0 e 0 2095 2086 2095
# 2064132
100 6.717 119.995 7.175 1 U 2.07e+05 0 e 0 2096 2085 2094
# 206664
101 6.708 124.732 7.136 1 U 2.9e+05 0 e 0 2096 3076 3077
# 290005
102 6.714 121.778 6.717 1 U 9.94e+05 0 e 0 2096 2087 2096
# 993749
103 4.373 130.944 7.195 1 U 1.05e+05 0 e 0 2220 1576 1597
# 105452
104 1.592 117.878 6.792 1 U 1.64e+05 0 e 0 2225 473 486
# 164294
105 0.576 133.462 7.175 1 U 1.37e+05 0 e 0 2227 470 485
# 136530
106 0.588 118.012 6.792 1 U 2.09e+05 0 e 0 2227 473 486
# 209108
107 0.870 133.591 7.178 1 U 3.36e+05 0 e 0 2228 470 485
# 336198
108 0.876 117.858 6.788 1 U 4.68e+05 0 e 0 2228 473 486
# 467680
109 0.879 118.046 6.797 1 U 3.41e+05 0 e 0 2228 473 486
# 340856
110 1.236 130.583 7.041 1 U 1.12e+05 0 e 0 2267 1579 1598
# 112166
111 1.085 128.100 6.931 1 U 1.13e+05 0 e 0 2267 1584 1594
# 112746
112 0.897 130.741 7.036 1 U 4.63e+05 0 e 0 2271 1579 1598
# 462609
113 9.130 120.057 7.168 1 U 1.28e+05 0 e 0 0 0 0
114 9.130 120.057 7.168 1 U 1.28e+05 0 e 0 1463 2085 2094
115 3.265 126.153 7.161 1 U 9.91e+04 0 e 0 0 0 0
116 0.547 118.178 6.738 1 U 8.06e+04 0 e 0 1111 1945 1956
117 0.552 130.675 7.043 1 U 9.12e+04 0 e 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 . . 11160.7 Hz . . . 4.849 . . 30786 3
2 . . N 15 N . . 2500 Hz . . . 118.0 . . 30786 3
3 . . H 1 H . . 11202.7 Hz . . . 4.849 . . 30786 3
stop_
save_