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 27586
_Spectral_peak_list.ID 1
_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 1
_Spectral_peak_list.Experiment_name '5D HACACONH'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 5
_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
;
# 5D HACACONH assigned peak list
# F1(Ha,t1) -> F2(Ca,t2) -> F2(C=O,t3)
# -> F3(N,t4) -> F1(NH,t5)
# Peak# F5 F4 F3 F2 F1 Intensity Assignment
# Assignment: Residue number corresponding to an amide group H(F5)/N(F4)
1 8.490 119.671 176.314 55.959 4.070 1.961e+11 103
2 8.456 120.804 176.935 62.949 4.193 2.395e+11 109
3 8.446 122.866 174.632 58.013 4.182 3.589e+11 130
4 8.442 124.959 175.986 62.128 3.825 3.634e+11 83
5 8.440 123.750 175.721 62.025 3.758 1.735e+11 50
6 8.424 112.113 176.695 62.506 3.822 3.100e+11 67
7 8.392 121.486 173.884 61.602 4.121 1.779e+11 65
8 8.277 109.403 176.835 56.646 3.959 2.180e+11 132
9 8.311 109.479 176.808 56.600 3.986 4.327e+11 36
10 8.357 109.735 176.711 56.413 4.035 3.521e+11 111
11 8.303 109.710 176.888 56.619 3.988 2.783e+11 47
12 8.332 109.574 176.873 56.602 3.990 1.521e+11 14
13 8.381 110.201 176.892 56.563 4.006 2.594e+11 84
14 8.393 121.238 176.738 62.782 4.090 4.360e+11 139
15 8.392 122.160 175.837 55.463 4.042 3.122e+11 110
16 8.374 125.574 175.570 61.770 3.754 3.206e+11 119
17 8.367 107.645 178.358 52.525 4.059 2.735e+11 86
18 8.363 110.025 176.429 55.907 4.046 1.250e+11 25
19 8.355 123.140 174.599 58.159 4.220 1.764e+11 43
20 8.362 127.888 175.766 61.848 3.846 3.793e+11 53
21 8.354 109.276 177.870 55.128 4.073 2.533e+11 101
22 8.351 121.140 175.116 53.022 4.519 2.434e+11 104
23 8.349 116.313 176.757 62.940 4.204 2.992e+11 129
24 8.300 121.394 176.513 56.369 4.040 1.900e+11 24
25 8.292 121.396 176.271 56.488 3.961 1.964e+11 62
26 8.279 120.811 176.232 56.288 4.014 2.300e+11 98
27 8.332 121.687 176.366 56.283 4.038 4.100e+11 35
28 8.294 122.391 176.556 56.416 3.946 2.139e+11 58
29 8.345 121.581 176.408 56.404 4.031 2.919e+11 131
30 8.309 121.801 176.526 56.283 4.011 1.646e+11 13
31 8.344 123.547 174.492 61.741 4.095 2.351e+11 34
32 8.338 123.402 176.354 56.098 3.956 1.842e+11 97
33 8.251 123.350 174.472 61.969 4.026 2.295e+11 60
34 8.220 123.454 174.511 62.070 4.024 1.731e+11 23
35 8.295 123.451 174.425 61.723 4.063 2.807e+11 45
36 8.288 127.786 175.700 62.146 3.790 2.703e+11 56
37 8.312 128.225 175.813 62.242 3.758 2.520e+11 17
38 8.265 127.780 175.856 62.082 3.735 2.728e+11 78
39 8.309 110.851 174.745 61.662 4.120 2.315e+11 73
40 8.297 122.845 175.789 55.472 4.029 2.627e+11 80
41 8.303 127.174 176.174 62.378 3.773 2.758e+11 27
42 8.294 109.391 176.994 56.670 3.925 1.370e+11 7
43 8.291 121.908 177.014 54.732 4.146 3.718e+11 114
44 8.284 123.511 175.304 55.415 3.977 3.577e+11 127
45 8.272 126.686 176.087 60.750 3.881 3.443e+11 113
46 8.273 120.216 177.956 52.464 4.032 2.920e+11 28
47 8.262 121.459 175.226 53.163 4.495 2.690e+11 123
48 8.261 118.930 176.803 63.378 4.066 2.731e+11 121
49 8.263 126.075 175.272 61.849 3.693 2.628e+11 96
50 8.246 119.903 177.497 52.147 4.037 2.627e+11 79
51 8.203 120.498 177.763 52.324 3.996 1.588e+11 12
52 8.243 120.501 177.639 52.230 4.032 2.755e+11 57
53 8.247 124.914 176.170 62.257 3.792 3.655e+11 71
54 8.232 123.295 174.411 58.186 4.181 9.028e+10 10
55 8.230 127.062 173.915 61.768 4.058 3.641e+11 76
56 8.229 121.048 175.723 56.212 3.980 3.868e+11 115
57 8.221 123.199 175.742 62.393 3.699 1.731e+11 4
58 8.228 123.521 175.417 62.052 3.731 8.574e+10 -
59 8.207 121.892 176.772 56.522 3.957 2.209e+11 21
60 8.215 127.745 176.112 61.167 3.873 3.678e+11 89
61 8.209 119.825 176.069 54.171 4.354 2.114e+11 99
62 8.206 119.679 178.032 52.415 3.997 2.188e+11 20
63 8.204 125.147 176.248 55.996 4.058 6.683e+10 -
64 8.162 124.926 176.289 56.005 4.052 1.712e+11 11
65 8.197 107.279 178.325 52.474 4.025 1.855e+11 31
66 8.207 125.251 176.027 62.099 3.839 4.521e+10 -
67 8.197 116.260 177.505 54.905 4.133 9.629e+10 9
68 8.182 110.203 174.985 61.821 4.040 2.249e+11 93
69 8.179 123.426 177.499 52.189 4.004 1.905e+11 18
70 8.156 123.057 177.592 52.108 3.983 2.663e+11 91
71 8.115 122.792 177.581 52.335 4.000 2.650e+11 30
72 8.172 118.084 176.125 61.993 3.937 2.033e+11 72
73 8.161 118.317 176.398 62.204 3.900 2.920e+11 75
74 8.169 117.582 176.180 62.239 3.905 2.884e+11 64
75 8.175 124.666 176.481 56.598 3.921 2.681e+11 29
76 8.162 122.605 174.273 61.719 4.102 3.035e+11 82
77 8.153 124.795 176.283 62.394 3.794 3.063e+11 16
78 8.156 120.397 176.571 62.760 4.228 2.646e+11 118
79 8.155 116.351 176.534 56.115 4.126 2.815e+11 81
80 8.153 121.526 175.805 55.519 4.101 2.442e+11 63
81 8.141 122.254 175.788 55.120 4.148 1.063e+11 6
82 8.158 122.537 175.875 55.554 4.059 3.698e+11 100
83 8.157 124.555 175.885 62.107 3.785 3.019e+11 49
84 8.150 125.484 175.741 62.168 3.753 2.300e+11 38
85 8.150 122.782 177.754 52.405 3.960 2.459e+11 19
86 8.134 122.003 176.506 54.705 4.081 1.819e+11 39
87 8.134 123.697 173.969 44.842 3.619 -1.856e+11 85
88 8.117 121.636 175.600 53.943 4.365 2.556e+11 116
89 8.117 125.110 174.887 57.316 4.345 3.527e+11 137
90 8.129 115.199 173.796 44.724 3.594 -1.733e+11 42
91 8.117 120.019 175.687 53.948 4.525 1.630e+11 3
92 8.095 121.967 175.679 57.709 4.413 1.497e+11 5
93 8.113 122.337 175.599 57.869 4.292 3.124e+11 134
94 8.113 121.355 174.746 55.180 3.979 2.809e+11 135
95 8.115 108.358 174.497 44.911 3.640 -5.466e+11 68
96 8.104 120.309 175.061 52.812 4.618 2.651e+11 66
97 8.049 114.949 176.725 56.202 4.176 2.606e+11 44
98 8.078 115.374 176.822 56.213 4.111 2.099e+11 59
99 8.103 115.083 176.852 55.990 4.179 2.739e+11 33
100 8.099 122.594 174.374 61.661 4.067 2.660e+11 55
101 8.101 124.082 175.937 56.614 3.923 2.751e+11 124
102 8.095 122.875 175.230 57.385 4.453 6.550e+10 -
103 8.087 114.296 177.694 52.096 4.169 2.157e+11 54
104 8.076 120.019 177.512 51.969 4.101 4.633e+11 70
105 8.080 120.456 173.930 44.859 3.588 -1.819e+11 102
106 8.070 123.006 177.426 52.277 3.985 2.882e+11 90
107 8.075 119.905 175.503 54.002 4.512 7.954e+10 -
108 8.063 122.402 174.561 58.138 4.243 3.159e+11 88
109 8.034 115.290 174.137 44.855 3.633 -3.597e+11 87
110 8.040 123.517 173.558 44.607 3.607 -4.496e+11 69
111 8.016 123.419 175.190 57.499 4.303 2.710e+11 126
112 8.006 114.717 176.973 56.464 4.075 1.561e+11 22
113 8.005 124.698 173.243 44.565 3.585 -5.344e+11 107
114 7.995 118.733 176.034 54.246 4.402 2.214e+11 122
115 7.997 119.532 177.439 52.113 4.098 2.842e+11 77
116 8.001 120.388 174.037 44.902 3.606 -1.417e+11 32
117 7.958 122.818 175.427 57.599 4.389 1.615e+11 40
118 7.958 112.064 177.997 52.294 4.104 2.695e+11 92
119 7.963 119.964 173.452 44.754 3.561 -2.948e+11 94
120 7.952 119.102 173.861 44.827 3.664 -2.560e+11 74
121 7.945 111.667 176.029 62.045 3.750 1.873e+11 41
122 7.930 123.234 175.313 57.538 4.422 1.940e+11 95
123 7.932 119.944 173.676 44.706 3.552 -3.969e+11 133
124 7.931 119.158 173.607 44.754 3.607 -2.069e+11 52
125 7.932 121.266 174.021 44.902 3.599 -2.013e+11 8
126 7.940 119.825 173.815 44.796 3.619 2.430e+10 -
127 7.909 120.142 175.341 53.935 4.318 3.700e+11 136
128 7.894 119.545 177.077 52.000 4.015 3.127e+11 125
129 7.885 119.289 174.057 44.915 3.630 -1.328e+11 26
130 7.850 119.713 173.856 44.874 3.616 -2.113e+11 15
131 7.865 119.759 173.609 44.831 3.599 -2.762e+11 112
132 7.855 130.706 175.218 56.306 3.933 5.243e+11 140
133 7.778 119.124 173.846 44.875 3.616 -1.300e+11 37
134 7.788 119.491 173.704 44.835 3.601 -3.283e+11 48
135 7.667 128.518 174.600 61.984 3.747 8.570e+10 -
136 8.320 110.089 175.215 55.554 4.493 1.293e+11 51
137 7.752 127.781 174.549 55.002 4.211 8.242e+10 -
;
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 HA . . 3 ppm . . . . . . 27586 1
2 . . C 13 CA . . 24 ppm . . . . . . 27586 1
3 . . C 13 CO . . 6 ppm . . . . . . 27586 1
4 . . N 15 N . . 26 ppm . . . . . . 27586 1
5 . . H 1 HN . . 14 ppm . . . . . . 27586 1
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 1
stop_
save_