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 27586
_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 3
_Spectral_peak_list.Experiment_name '7D HNCOCACONH'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 7
_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
;
# 7D HNCOCACONH assigned peak list
# F1(H, t1) -> F3(N,t2) -> F2(C=O,t3) -> F2(Ca,t4)
# -> F3(N) -> F2(C=O,t5) -> F3(N,t6) -> F1(H,t7)
# Peak# F7 F6 F5 F4 F3 F2 F1 Intensity Assignment
# Assignment: Residue number corresponding to an amide group H(F7)/N(F6)
1 8.528 122.705 176.161 56.661 176.807 110.030 8.406 1.151e+15 -
2 8.489 119.678 176.316 53.035 175.121 121.152 8.342 2.728e+15 103
3 8.455 120.802 176.937 55.502 175.839 122.169 8.384 5.087e+15 109
4 8.444 122.869 174.635 56.296 176.394 121.597 8.332 5.090e+15 130
5 8.440 124.991 175.987 56.589 176.898 110.223 8.375 1.916e+15 83
6 8.422 112.105 176.699 44.904 174.502 108.364 8.099 2.457e+15 67
7 8.412 110.068 176.798 44.826 173.672 119.665 7.840 1.707e+15 -
8 8.407 109.921 176.830 44.844 173.798 119.721 7.854 1.016e+15 -
9 8.391 121.259 176.742 56.327 175.223 130.699 7.839 1.374e+16 139
10 8.380 110.231 176.892 44.858 173.969 123.667 8.122 1.398e+15 84
11 8.389 122.182 175.838 56.440 176.718 109.763 8.348 3.883e+15 110
12 8.353 109.765 176.723 44.847 173.611 119.736 7.848 8.813e+15 111
13 8.346 121.152 175.121 56.457 176.412 121.577 8.336 4.155e+15 104
14 8.346 116.347 176.761 58.030 174.634 122.856 8.440 7.221e+15 129
15 8.337 121.607 176.394 56.659 176.840 109.410 8.268 2.855e+15 131
16 8.325 121.747 176.358 56.600 176.808 109.499 8.301 1.827e+15 -
17 8.341 121.578 176.412 56.648 176.889 109.654 8.292 3.845e+15 -
18 8.331 109.645 176.815 44.759 173.697 119.563 7.778 8.200e+14 -
19 8.305 109.564 176.799 44.846 173.699 119.515 7.766 1.724e+15 -
20 8.318 109.463 176.820 44.871 173.846 119.158 7.761 2.263e+15 -
21 8.318 128.412 175.747 52.115 177.449 123.481 8.181 1.477e+15 -
22 8.306 128.319 175.600 52.071 176.455 125.732 7.839 1.974e+15 -
23 8.306 110.854 174.749 44.841 173.853 119.103 7.935 1.331e+15 -
24 8.301 127.182 176.174 52.472 177.960 120.193 8.264 2.012e+15 27
25 8.307 121.774 176.524 56.530 176.272 121.380 8.284 1.429e+15 61
26 8.288 121.389 176.274 55.521 175.806 121.557 8.141 1.984e+15 62
27 8.298 109.712 176.894 44.587 173.247 124.684 7.989 7.163e+15 106
28 8.287 121.922 177.025 56.256 175.734 121.037 8.218 7.485e+15 114
29 8.294 121.572 176.132 55.422 175.553 122.282 8.173 1.364e+15 -
30 8.284 127.804 175.703 52.263 177.645 120.510 8.233 2.381e+15 -
31 8.267 126.707 176.095 54.751 177.024 121.918 8.282 5.585e+15 113
32 8.271 120.771 176.233 54.185 176.071 119.809 8.195 2.979e+15 98
33 8.273 109.410 176.841 44.715 173.685 119.936 7.916 4.707e+15 -
34 8.260 121.500 175.231 56.644 175.944 124.067 8.089 7.052e+15 123
35 8.267 120.219 177.944 56.627 176.470 124.681 8.169 2.171e+15 28
36 8.261 127.781 175.862 52.174 177.504 119.917 8.235 1.477e+15 -
37 8.255 118.929 176.809 54.277 176.039 118.710 7.978 6.522e+15 121
38 8.257 126.080 175.272 56.098 176.362 123.407 8.327 1.127e+15 96
39 8.239 125.519 176.021 62.178 175.456 123.728 7.732 4.843e+15 -
40 8.242 124.932 176.171 61.996 176.132 118.090 8.162 1.675e+15 71
41 8.247 123.388 174.466 56.374 176.544 121.773 8.298 1.579e+15 -
42 8.240 120.519 177.642 56.437 176.555 122.398 8.284 1.137e+15 -
43 8.246 119.909 177.501 55.492 175.798 122.838 8.286 1.255e+15 79
44 8.223 121.039 175.732 53.981 175.602 121.627 8.102 9.991e+15 115
45 8.241 120.353 177.506 56.183 175.875 125.657 8.172 8.401e+14 -
46 8.225 127.088 173.920 52.111 177.448 119.527 7.983 2.943e+15 76
47 8.210 127.759 176.121 52.280 177.434 123.017 8.059 2.419e+15 89
48 8.208 125.300 176.026 62.169 174.733 107.558 7.901 3.021e+15 -
49 8.200 119.813 176.074 55.562 175.879 122.544 8.145 4.107e+15 99
50 8.197 124.083 177.119 52.038 176.617 125.099 7.813 2.712e+15 -
51 8.202 119.702 178.023 56.504 176.770 121.952 8.200 1.373e+15 20
52 8.178 125.701 175.883 52.027 176.168 129.430 7.809 3.248e+15 -
53 8.183 124.778 176.429 52.367 177.553 122.849 8.112 9.905e+14 29
54 8.169 124.682 176.481 52.316 177.580 122.819 8.107 1.348e+15 29
55 8.184 124.071 177.147 52.163 177.027 118.307 7.631 2.806e+15 -
56 8.186 123.506 177.452 52.363 177.723 122.858 8.148 1.333e+15 -
57 8.179 122.309 175.552 62.346 175.551 123.094 7.727 3.167e+15 -
58 8.178 110.221 174.985 44.746 173.456 119.976 7.950 1.837e+15 93
59 8.152 124.876 176.268 62.276 175.794 128.286 8.305 1.028e+15 16
60 8.167 124.984 176.224 62.182 175.752 128.444 8.316 1.156e+15 16
61 8.169 118.135 176.127 61.654 174.746 110.869 8.300 1.925e+15 72
62 8.158 122.617 174.269 62.146 175.986 124.952 8.436 2.556e+15 82
63 8.149 116.354 176.538 61.738 174.275 122.612 8.151 2.892e+15 81
64 8.150 120.419 176.576 61.788 175.574 125.570 8.365 5.956e+15 118
65 8.147 125.502 175.750 54.733 176.511 122.005 8.124 1.425e+15 38
66 8.151 123.037 177.599 52.302 177.998 112.082 7.943 2.169e+15 91
67 8.152 122.822 177.734 52.441 177.995 119.700 8.203 1.489e+15 19
68 8.151 122.539 175.876 55.139 177.881 109.245 8.347 2.594e+15 100
69 8.156 118.305 176.406 61.792 173.926 126.998 8.218 2.183e+15 75
70 8.147 121.561 175.806 62.261 176.194 117.609 8.158 2.232e+15 63
71 8.129 123.694 173.971 52.497 178.362 107.593 8.361 1.439e+15 85
72 8.126 122.003 176.513 57.611 175.425 122.849 7.941 1.388e+15 39
73 8.108 108.367 174.502 44.647 173.556 123.488 8.026 2.851e+15 68
74 8.105 122.366 175.601 55.182 174.749 121.368 8.099 4.758e+15 134
75 8.105 121.370 174.747 53.980 175.353 120.137 7.891 6.540e+15 135
76 8.117 120.339 177.552 62.284 176.016 125.546 8.237 9.364e+14 -
77 8.110 122.825 177.560 52.490 178.325 107.319 8.185 1.264e+15 30
78 8.094 124.084 175.946 52.015 177.080 119.557 7.876 8.569e+15 124
79 8.096 115.141 176.844 61.774 174.491 123.540 8.333 1.418e+15 33
80 8.097 120.334 175.072 62.529 176.698 112.111 8.419 2.229e+15 66
81 8.090 122.621 174.372 62.167 175.700 127.780 8.278 1.904e+15 55
82 8.085 120.265 177.472 62.206 176.026 125.520 8.233 3.029e+15 -
83 8.071 115.396 176.817 61.973 174.474 123.362 8.241 1.917e+15 59
84 8.076 120.464 173.933 55.971 176.315 119.688 8.484 1.751e+15 102
85 8.069 120.063 177.520 62.275 176.172 124.930 8.237 4.496e+15 70
86 8.077 114.323 177.698 61.695 174.383 122.612 8.083 2.920e+15 54
87 8.072 122.302 174.245 61.026 174.936 107.109 7.857 2.095e+15 -
88 8.062 123.020 177.428 52.105 177.600 123.043 8.144 2.290e+15 90
89 8.055 122.412 174.563 61.191 176.120 127.759 8.204 2.527e+15 88
90 8.033 123.530 173.561 51.973 177.516 120.061 8.064 5.868e+15 69
91 8.048 114.963 176.705 61.672 174.427 123.446 8.286 1.224e+15 44
92 8.047 119.880 177.226 62.014 174.839 106.947 7.861 1.400e+15 -
93 8.026 115.316 174.138 58.170 174.559 122.410 8.051 2.642e+15 87
94 8.007 123.438 175.192 55.447 175.311 123.501 8.271 6.376e+15 126
95 8.006 119.872 175.172 61.977 174.603 128.507 7.648 4.642e+15 -
96 7.996 114.732 176.969 62.098 174.504 123.498 8.214 1.247e+15 22
97 7.983 118.733 176.043 53.198 175.229 121.487 8.254 6.743e+15 122
98 7.988 119.526 177.453 62.106 175.858 127.777 8.255 2.097e+15 77
99 7.954 119.955 173.455 57.559 175.315 123.240 7.913 2.731e+15 94
100 7.947 122.838 175.416 62.095 176.033 111.686 7.927 1.220e+15 40
101 7.942 119.115 173.862 62.216 176.407 118.309 8.150 1.858e+15 74
102 7.950 112.064 177.998 61.832 174.986 110.220 8.172 1.596e+15 92
103 7.922 119.944 173.683 57.862 175.602 122.340 8.099 5.107e+15 133
104 7.933 119.223 173.663 62.228 175.701 122.986 7.733 2.263e+15 -
105 7.919 123.260 175.314 61.858 175.273 126.105 8.252 2.174e+15 95
106 7.928 123.415 175.183 61.774 174.891 117.880 7.368 1.427e+15 -
107 7.898 120.137 175.351 57.339 174.890 125.107 8.106 6.887e+15 136
108 7.904 119.130 173.640 61.856 175.779 127.892 8.350 2.710e+15 -
109 7.883 119.562 177.080 57.528 175.196 123.437 8.001 5.177e+15 125
110 7.896 119.142 173.541 61.980 174.920 106.743 7.906 3.240e+15 -
111 7.875 119.316 174.061 62.370 176.175 127.186 8.294 1.144e+15 26
112 7.842 119.715 173.841 62.407 176.272 124.866 8.145 8.471e+14 -
113 7.862 119.731 173.797 62.330 176.230 125.010 8.162 2.211e+15 -
114 7.854 119.757 173.615 60.776 176.093 126.693 8.262 9.710e+15 112
115 7.850 118.746 173.657 61.961 174.949 106.554 7.903 2.398e+15 -
116 7.841 119.625 173.668 62.149 176.027 125.294 8.201 2.065e+15 -
117 7.799 119.006 173.636 62.105 175.215 131.412 7.815 5.142e+15 -
118 7.796 119.561 173.708 62.166 175.889 124.685 8.154 1.576e+15 -
119 7.774 119.522 173.699 62.153 175.871 124.645 8.147 2.951e+15 -
120 7.784 119.460 173.647 62.046 175.795 124.918 8.124 6.272e+14 -
121 7.767 119.126 173.847 62.176 175.749 125.499 8.141 1.570e+15 -
122 8.351 109.275 177.883 44.865 173.934 120.444 8.075 4.197e+15 101
123 8.371 107.651 178.361 44.865 174.148 115.286 8.018 1.767e+15 86
124 8.192 107.330 178.320 44.904 174.034 120.391 7.990 1.280e+15 31
125 8.239 129.200 175.604 51.994 176.037 129.810 7.804 2.693e+15 -
126 8.197 118.060 176.132 61.367 173.291 126.725 7.997 1.718e+15 -
127 8.164 117.602 176.187 61.619 173.893 121.476 8.390 1.602e+15 64
128 8.389 121.541 173.887 52.814 175.071 120.238 8.090 1.270e+15 65
129 8.332 123.399 176.358 56.320 176.239 120.857 8.267 1.415e+15 97
;
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 HN . . 2 ppm . . . . . . 27586 3
2 . . N 15 N . . 26 ppm . . . . . . 27586 3
3 . . C 13 CO . . 6 ppm . . . . . . 27586 3
4 . . C 13 CA . . 24 ppm . . . . . . 27586 3
5 . . C 13 CO . . 6 ppm . . . . . . 27586 3
6 . . N 15 N . . 26 ppm . . . . . . 27586 3
7 . . H 1 HN . . 14 ppm . . . . . . 27586 3
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
2 $MATLAB . . 27586 3
stop_
save_