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 30598
_Spectral_peak_list.ID 3
_Spectral_peak_list.Name .
_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.Chem_shift_reference_ID .
_Spectral_peak_list.Chem_shift_reference_label .
_Spectral_peak_list.Experiment_ID 7
_Spectral_peak_list.Experiment_name '3D 1H-15N 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 3.973 111.700 4.633 4 U 7.902000E+06 0.000000E+00 a 0 0 0 0
2 7.141 133.843 6.809 3 U 2.119000E+07 0.000000E+00 a 0 390 394 391 #QU 0.997 #SUP 1.00
3 7.142 133.744 4.371 3 U 6.629000E+06 0.000000E+00 a 0 390 394 385 #QU 0.512 #SUP 0.51
4 7.141 133.843 3.171 3 U 1.825000E+07 0.000000E+00 a 0 390 394 305 #VC 0.45846 #QU 0.453 #SUP 1.00
390 394 388 #VC 0.54154 #QU 0.991 #SUP 1.00
5 7.141 133.843 3.425 3 U 5.024000E+06 0.000000E+00 a 0 390 394 387 #QU 0.968 #SUP 0.97
6 6.805 118.545 7.144 1 U 2.429000E+07 0.000000E+00 a 0 391 399 390 #QU 0.999 #SUP 1.00
7 6.805 118.617 3.150 4 U 7.569000E+06 0.000000E+00 a 0 0 0 0
8 6.807 118.617 2.712 4 U 4.202000E+06 0.000000E+00 a 0 0 0 0
9 7.266 132.257 3.264 3 U 3.707000E+06 0.000000E+00 a 0 317 321 314 #QU 1.000 #SUP 1.00
10 7.267 132.331 2.900 3 U 2.474000E+06 0.000000E+00 a 0 317 321 315 #QU 0.747 #SUP 0.75
11 7.264 132.147 4.670 3 U 1.801000E+06 0.000000E+00 a 0 317 321 312 #QU 0.922 #SUP 0.92
12 3.123 111.700 4.639 4 U 8.364000E+06 0.000000E+00 a 0 0 0 0
13 3.080 111.700 4.632 4 U 8.560000E+06 0.000000E+00 a 0 0 0 0
14 3.059 111.700 4.623 4 U 8.171000E+06 0.000000E+00 a 0 0 0 0
15 3.044 111.700 4.627 4 U 8.727000E+06 0.000000E+00 a 0 0 0 0
16 3.033 111.700 4.631 4 U 8.800000E+06 0.000000E+00 a 0 0 0 0
17 3.005 111.700 4.626 4 U 8.659000E+06 0.000000E+00 a 0 0 0 0
18 2.976 111.700 4.626 4 U 8.698000E+06 0.000000E+00 a 0 0 0 0
19 2.959 111.700 4.630 4 U 8.461000E+06 0.000000E+00 a 0 0 0 0
20 3.161 111.700 4.627 4 U 8.397000E+06 0.000000E+00 a 0 0 0 0
21 4.490 111.700 7.202 4 U 8.750000E+05 0.000000E+00 a 0 0 0 0
22 7.078 134.334 6.347 1 U 1.829000E+07 0.000000E+00 a 0 265 276 266 #QU 1.000 #SUP 1.00
23 7.076 134.257 8.867 3 U 3.058000E+06 0.000000E+00 a 0 265 276 258 #QU 0.989 #SUP 0.99
24 7.081 134.340 5.325 3 U 1.447000E+06 0.000000E+00 a 0 265 276 154 #QU 0.867 #SUP 0.87
25 7.079 134.327 4.408 3 U 4.666000E+06 0.000000E+00 a 0 265 276 260 #QU 0.616 #SUP 0.62
26 7.075 134.369 2.813 3 U 9.372000E+06 0.000000E+00 a 0 265 276 262 #QU 0.929 #SUP 0.93
27 7.075 134.369 2.652 3 U 1.158000E+07 0.000000E+00 a 0 265 276 263 #QU 0.997 #SUP 1.00
28 7.082 134.369 0.244 3 U 1.766000E+06 0.000000E+00 a 0 265 276 145 #QU 0.991 #SUP 0.99
29 7.076 134.250 -0.208 3 U 5.571000E+06 0.000000E+00 a 0 265 276 454 #QU 0.994 #SUP 0.99
30 7.078 134.344 0.610 3 U 7.579000E+06 0.000000E+00 a 0 265 276 136 #QU 0.988 #SUP 0.99
31 7.077 134.287 1.156 4 U 2.138000E+06 0.000000E+00 a 0 0 0 0
32 7.079 134.303 1.757 3 U 1.265000E+06 0.000000E+00 a 0 265 276 142 #QU 0.937 #SUP 0.94
33 7.079 134.315 2.249 4 U 9.170000E+05 0.000000E+00 a 0 0 0 0
34 6.345 117.355 7.079 1 U 1.331000E+07 0.000000E+00 a 0 266 271 265 #QU 1.000 #SUP 1.00
35 6.352 117.165 7.667 4 U 8.369000E+05 0.000000E+00 a 0 0 0 0
36 6.347 117.230 5.348 3 U 1.203000E+06 0.000000E+00 a 0 266 271 154 #QU 0.976 #SUP 0.98
37 6.343 117.372 4.798 4 U 1.796000E+06 0.000000E+00 a 0 0 0 0 #QU 0.111
38 6.346 117.184 4.362 4 U 9.918000E+05 0.000000E+00 a 0 0 0 0
39 6.347 117.230 -0.200 3 U 2.607000E+06 0.000000E+00 a 0 266 271 454 #QU 0.977 #SUP 0.98
40 6.344 117.309 1.189 4 U 4.502000E+06 0.000000E+00 a 0 0 0 0
41 6.347 117.230 1.793 3 U 3.258000E+06 0.000000E+00 a 0 266 271 142 #QU 0.911 #SUP 0.91
42 6.345 117.230 2.815 3 U 1.566000E+06 0.000000E+00 a 0 266 271 262 #QU 0.894 #SUP 0.89
43 6.345 117.230 2.672 3 U 1.376000E+06 0.000000E+00 a 0 266 271 263 #QU 0.905 #SUP 0.90
44 6.347 117.230 0.605 3 U 2.678000E+06 0.000000E+00 a 0 266 271 136 #QU 0.982 #SUP 0.98
45 6.347 117.230 0.251 3 U 2.912000E+06 0.000000E+00 a 0 266 271 145 #QU 0.960 #SUP 0.96
46 0.007 111.700 4.619 4 U 9.577000E+06 0.000000E+00 a 0 0 0 0
47 0.010 111.700 3.102 4 U 1.384000E+06 0.000000E+00 a 0 0 0 0
48 -0.005 111.700 3.947 4 U 1.060000E+06 0.000000E+00 a 0 0 0 0
49 -0.024 111.700 3.153 4 U 1.480000E+06 0.000000E+00 a 0 0 0 0
50 -0.039 111.700 4.613 4 U 9.322000E+06 0.000000E+00 a 0 0 0 0
51 -0.046 111.700 3.148 4 U 1.160000E+06 0.000000E+00 a 0 0 0 0
52 -0.058 111.700 4.140 4 U 8.178000E+05 0.000000E+00 a 0 0 0 0
53 -0.064 111.700 4.620 4 U 9.838000E+06 0.000000E+00 a 0 0 0 0
54 -0.076 111.700 3.116 4 U 1.087000E+06 0.000000E+00 a 0 0 0 0
55 -0.081 111.700 4.618 4 U 9.615000E+06 0.000000E+00 a 0 0 0 0
56 5.320 111.700 4.646 4 U 1.352000E+07 0.000000E+00 a 0 0 0 0
57 5.319 111.700 3.985 4 U 1.121000E+06 0.000000E+00 a 0 0 0 0
58 5.309 111.700 3.137 4 U 1.168000E+06 0.000000E+00 a 0 0 0 0
59 5.304 111.700 4.651 4 U 1.491000E+07 0.000000E+00 a 0 0 0 0
60 5.279 111.700 3.997 4 U 1.285000E+06 0.000000E+00 a 0 0 0 0
61 5.264 111.700 4.640 4 U 9.810000E+06 0.000000E+00 a 0 0 0 0
62 5.265 111.700 2.806 4 U 1.335000E+06 0.000000E+00 a 0 0 0 0
63 5.243 111.700 3.974 4 U 1.298000E+06 0.000000E+00 a 0 0 0 0
64 5.239 111.700 4.424 4 U 2.394000E+06 0.000000E+00 a 0 0 0 0
65 5.216 111.700 4.653 4 U 1.212000E+07 0.000000E+00 a 0 0 0 0
66 5.205 111.700 4.659 4 U 1.161000E+07 0.000000E+00 a 0 0 0 0
67 5.188 111.700 4.662 4 U 1.178000E+07 0.000000E+00 a 0 0 0 0
68 5.191 111.700 3.997 4 U 1.244000E+06 0.000000E+00 a 0 0 0 0
69 0.049 111.700 2.006 4 U 1.027000E+06 0.000000E+00 a 0 0 0 0
70 5.033 111.700 3.770 4 U 1.651000E+06 0.000000E+00 a 0 0 0 0
71 2.410 111.700 3.153 4 U 8.964000E+05 0.000000E+00 a 0 0 0 0
72 3.886 111.700 2.181 4 U 1.129000E+06 0.000000E+00 a 0 0 0 0
73 3.851 111.700 2.132 4 U 1.155000E+06 0.000000E+00 a 0 0 0 0
74 3.834 111.700 2.133 4 U 9.193000E+05 0.000000E+00 a 0 0 0 0
75 4.234 111.700 2.149 4 U 1.476000E+06 0.000000E+00 a 0 0 0 0
76 7.252 120.654 2.181 3 U 2.319000E+06 0.000000E+00 a 0 210 206 202 #QU 0.866 #SUP 0.87
77 7.252 120.527 1.267 4 U 3.149000E+06 0.000000E+00 a 0 0 0 0
78 7.253 120.529 2.609 3 U 3.328000E+06 0.000000E+00 a 0 210 206 201 #QU 0.691 #SUP 0.69
79 7.251 120.590 4.366 4 U 2.524000E+06 0.000000E+00 a 0 0 0 0
80 7.252 120.608 4.719 4 U 1.079000E+06 0.000000E+00 a 0 0 0 0
81 1.427 111.700 2.068 4 U 6.837000E+05 0.000000E+00 a 0 0 0 0
82 1.391 111.700 2.088 4 U 7.317000E+05 0.000000E+00 a 0 0 0 0
83 1.327 111.700 2.076 4 U 7.405000E+05 0.000000E+00 a 0 0 0 0
84 1.384 111.700 3.095 4 U 9.977000E+05 0.000000E+00 a 0 0 0 0
85 1.344 111.700 3.097 4 U 8.536000E+05 0.000000E+00 a 0 0 0 0
86 1.335 111.700 3.311 4 U 7.737000E+05 0.000000E+00 a 0 0 0 0
87 1.284 111.700 3.226 4 U 9.942000E+05 0.000000E+00 a 0 0 0 0
88 5.330 111.700 0.095 4 U 7.141000E+05 0.000000E+00 a 0 0 0 0
89 5.321 111.700 4.145 4 U 1.121000E+06 0.000000E+00 a 0 0 0 0
90 0.873 111.700 0.611 4 U 7.115000E+05 0.000000E+00 a 0 0 0 0
91 0.834 111.700 2.254 4 U 9.084000E+05 0.000000E+00 a 0 0 0 0
92 0.875 111.700 3.930 4 U 8.345000E+05 0.000000E+00 a 0 0 0 0
93 0.219 111.700 3.130 4 U 9.987000E+05 0.000000E+00 a 0 0 0 0
94 0.246 111.700 4.142 4 U 6.720000E+05 0.000000E+00 a 0 0 0 0
95 0.230 111.700 3.951 4 U 1.165000E+06 0.000000E+00 a 0 0 0 0
96 7.442 134.556 8.142 3 U 2.345000E+06 0.000000E+00 a 0 114 118 107 #QU 0.891 #SUP 0.89
97 7.440 134.566 7.044 1 U 7.828000E+06 0.000000E+00 a 0 114 118 115 #QU 0.851 #SUP 0.85
98 7.441 134.495 5.296 3 U 2.533000E+06 0.000000E+00 a 0 114 118 109 #QU 0.984 #SUP 0.98
99 7.440 134.414 4.764 4 U 1.128000E+06 0.000000E+00 a 0 0 0 0
100 7.435 134.505 0.064 3 U 9.801000E+05 0.000000E+00 a 0 114 118 246 #QU 0.974 #SUP 0.97
102 7.441 134.497 0.981 3 U 5.401000E+06 0.000000E+00 a 0 114 118 754 #QU 0.917 #SUP 0.92
103 7.442 134.600 2.030 3 U 1.281000E+06 0.000000E+00 a 0 114 118 624 #VC 0.51252 #QU 0.507 #SUP 0.77
114 118 983 #VC 0.48748 #QU 0.526 #SUP 0.77
104 7.442 134.555 2.937 3 U 9.219000E+06 0.000000E+00 a 0 114 118 113 #QU 0.977 #SUP 0.98
105 7.008 119.200 0.932 3 U 6.439000E+06 0.000000E+00 a 0 115 120 754 #QU 0.371 #SUP 0.37
106 7.011 119.207 1.605 3 U 1.324000E+06 0.000000E+00 a 0 115 120 628 #QU 0.920 #SUP 0.92
107 7.008 119.312 1.977 3 U 4.371000E+06 0.000000E+00 a 0 115 120 624 #QU 0.619 #SUP 0.62
108 7.007 119.240 2.902 3 U 4.363000E+06 0.000000E+00 a 0 115 120 113 #QU 0.757 #SUP 0.76
109 7.006 119.161 4.701 3 U 1.439000E+06 0.000000E+00 a 0 115 120 774 #QU 0.814 #SUP 0.81
110 7.009 119.233 5.389 4 U 1.465000E+06 0.000000E+00 a 0 0 0 0
111 7.008 119.300 6.709 3 U 5.425000E+06 0.000000E+00 a 0 115 120 790 #QU 0.633 #SUP 0.63
112 7.004 119.207 7.434 1 U 1.144000E+07 0.000000E+00 a 0 115 120 114 #QU 0.864 #SUP 0.86
113 7.009 119.207 8.141 3 U 1.101000E+06 0.000000E+00 a 0 115 120 107 #VC 0.41637 #QU 0.600 #SUP 0.93
115 120 761 #VC 0.58363 #QU 0.826 #SUP 0.93
115 7.008 119.207 8.668 4 U 9.288000E+05 0.000000E+00 a 0 0 0 0
116 7.004 119.250 9.659 3 U 1.408000E+06 0.000000E+00 a 0 115 120 772 #QU 0.743 #SUP 0.74
119 7.583 120.549 -0.157 4 U 1.186000E+06 0.000000E+00 a 0 0 0 0
120 7.582 120.463 0.322 3 U 1.184000E+07 0.000000E+00 a 0 538 534 455 #QU 0.462 #SUP 0.46
121 7.581 120.463 0.845 3 U 2.925000E+06 0.000000E+00 a 0 538 534 453 #QU 0.696 #SUP 0.70
122 7.581 120.573 1.421 3 U 2.852000E+06 0.000000E+00 a 0 538 534 508 #QU 0.828 #SUP 0.83
123 7.582 120.499 1.864 4 U 5.468000E+06 0.000000E+00 a 0 0 0 0
124 7.581 120.484 2.093 4 U 1.166000E+06 0.000000E+00 a 0 0 0 0
125 7.580 120.454 2.685 3 U 2.630000E+06 0.000000E+00 a 0 538 534 530 #QU 0.887 #SUP 0.89
126 7.581 120.604 3.469 4 U 1.581000E+06 0.000000E+00 a 0 0 0 0
127 7.582 120.530 3.849 3 U 2.905000E+06 0.000000E+00 a 0 538 534 447 #VC 0.53598 #QU 0.656 #SUP 0.84
538 534 469 #VC 0.46402 #QU 0.540 #SUP 0.84
128 7.585 120.453 4.319 4 U 1.018000E+06 0.000000E+00 a 0 0 0 0
129 1.244 111.700 3.968 4 U 1.081000E+06 0.000000E+00 a 0 0 0 0
130 1.203 111.700 4.142 4 U 7.955000E+05 0.000000E+00 a 0 0 0 0
131 1.186 111.700 3.958 4 U 7.594000E+05 0.000000E+00 a 0 0 0 0
133 7.173 120.946 1.692 4 U 1.094000E+06 0.000000E+00 a 0 0 0 0
134 7.173 120.851 1.368 4 U 9.996000E+05 0.000000E+00 a 0 0 0 0
135 7.174 120.890 2.180 4 U 1.294000E+06 0.000000E+00 a 0 0 0 0
138 7.173 120.921 3.312 3 U 2.224000E+06 0.000000E+00 a 0 1096 1092 1087 #QU 0.928 #SUP 0.93
139 7.171 121.005 3.833 4 U 1.168000E+06 0.000000E+00 a 0 0 0 0 #QU 0.010
141 7.173 120.953 8.899 3 U 4.111000E+06 0.000000E+00 a 0 1096 1092 1083 #QU 0.629 #SUP 0.63
143 7.339 114.018 9.950 1 U 2.809000E+06 0.000000E+00 a 0 666 662 663 #QU 1.000 #SUP 1.00
144 7.285 114.249 10.262 1 U 4.378000E+06 0.000000E+00 a 0 792 788 789 #QU 0.999 #SUP 1.00
146 7.234 127.808 9.951 1 U 1.733000E+07 0.000000E+00 a 0 659 654 663 #QU 1.000 #SUP 1.00
147 7.235 127.826 8.563 4 U 3.135000E+06 0.000000E+00 a 0 0 0 0
148 7.234 127.779 3.043 3 U 5.202000E+06 0.000000E+00 a 0 659 654 651 #QU 0.988 #SUP 0.99
149 7.235 127.779 3.207 3 U 5.788000E+06 0.000000E+00 a 0 659 654 650 #QU 0.868 #SUP 0.87
150 7.234 127.779 4.466 3 U 2.281000E+06 0.000000E+00 a 0 659 654 648 #QU 0.941 #SUP 0.94
151 7.234 127.779 4.619 4 U 1.636000E+06 0.000000E+00 a 0 0 0 0
152 7.341 114.034 4.237 3 U 1.169000E+06 0.000000E+00 a 0 666 662 709 #QU 0.810 #SUP 0.81
153 7.340 113.998 4.055 3 U 8.710000E+05 0.000000E+00 a 0 666 662 711 #VC 0.57125 #QU 0.842 #SUP 0.94
666 662 712 #VC 0.42875 #QU 0.632 #SUP 0.94
154 7.341 113.998 7.110 3 U 4.701000E+06 0.000000E+00 a 0 666 662 667 #QU 0.998 #SUP 1.00
159 7.108 124.206 3.903 4 U 7.985000E+05 0.000000E+00 a 0 0 0 0
160 7.103 124.206 4.270 3 U 5.842000E+05 0.000000E+00 a 0 667 665 709 #QU 0.993 #SUP 0.99
161 7.102 124.206 0.772 4 U 5.462000E+05 0.000000E+00 a 0 0 0 0
162 7.104 124.206 7.336 3 U 5.893000E+06 0.000000E+00 a 0 667 665 666 #QU 0.999 #SUP 1.00
163 7.372 120.810 8.543 3 U 8.077000E+05 0.000000E+00 a 0 660 656 646 #QU 0.998 #SUP 1.00
164 7.373 120.810 3.053 3 U 3.085000E+06 0.000000E+00 a 0 660 656 651 #QU 0.903 #SUP 0.90
165 7.373 120.810 3.213 3 U 1.868000E+06 0.000000E+00 a 0 660 656 650 #QU 0.986 #SUP 0.99
166 7.372 120.786 4.630 4 U 8.373000E+05 0.000000E+00 a 0 0 0 0
168 7.372 120.810 6.983 3 U 2.028000E+06 0.000000E+00 a 0 660 656 664 #QU 1.000 #SUP 1.00
169 6.982 122.106 7.370 3 U 3.222000E+05 0.000000E+00 a 0 664 661 660 #VC 0.57077 #QU 1.000 #SUP 1.00
664 661 666 #VC 0.42923 #QU 0.752 #SUP 1.00
170 2.741 111.700 2.023 4 U 8.000000E+05 0.000000E+00 a 0 0 0 0
171 7.283 114.290 2.518 4 U 7.919000E+06 0.000000E+00 a 0 0 0 0
172 7.285 114.372 0.823 3 U 1.289000E+06 0.000000E+00 a 0 792 788 813 #QU 0.974 #SUP 0.97
173 7.006 123.924 6.666 3 U 7.765000E+06 0.000000E+00 a 0 793 791 790 #QU 0.544 #SUP 0.54
174 7.007 124.196 3.472 3 U 1.262000E+06 0.000000E+00 a 0 793 791 99 #QU 0.948 #SUP 0.95
176 7.010 124.152 5.432 4 U 7.481000E+05 0.000000E+00 a 0 0 0 0
177 7.010 124.152 2.541 4 U 1.325000E+06 0.000000E+00 a 0 0 0 0
178 7.005 124.152 7.281 1 U 6.162000E+06 0.000000E+00 a 0 793 791 792 #QU 0.999 #SUP 1.00
179 6.706 121.959 7.489 4 U 1.777000E+06 0.000000E+00 a 0 0 0 0
180 6.700 121.931 8.078 4 U 7.675000E+05 0.000000E+00 a 0 0 0 0
181 6.703 121.931 7.016 3 U 5.312000E+06 0.000000E+00 a 0 790 787 115 #VC 0.50247 #QU 0.881 #SUP 1.00
790 787 793 #VC 0.49753 #QU 0.988 #SUP 1.00
182 6.703 122.097 5.465 4 U 4.760000E+06 0.000000E+00 a 0 0 0 0
183 6.706 122.024 3.458 3 U 3.885000E+06 0.000000E+00 a 0 790 787 99 #QU 0.749 #SUP 0.75
184 6.703 122.120 3.044 3 U 1.011000E+06 0.000000E+00 a 0 790 787 776 #QU 0.673 #SUP 0.67
185 6.703 121.931 0.857 4 U 9.698000E+05 0.000000E+00 a 0 0 0 0
186 6.703 121.931 1.016 3 U 8.600000E+05 0.000000E+00 a 0 790 787 100 #QU 0.745 #SUP 0.75
187 3.773 111.700 4.640 4 U 8.043000E+06 0.000000E+00 a 0 0 0 0
188 3.761 111.700 4.639 4 U 7.133000E+06 0.000000E+00 a 0 0 0 0
189 3.731 111.700 4.636 4 U 7.570000E+06 0.000000E+00 a 0 0 0 0
190 0.984 111.700 4.622 4 U 8.930000E+06 0.000000E+00 a 0 0 0 0
191 0.956 111.700 4.619 4 U 8.592000E+06 0.000000E+00 a 0 0 0 0
192 5.465 111.700 2.003 4 U 8.386000E+05 0.000000E+00 a 0 0 0 0
193 5.441 111.700 3.973 4 U 1.601000E+06 0.000000E+00 a 0 0 0 0
194 1.189 111.700 3.127 4 U 9.821000E+05 0.000000E+00 a 0 0 0 0
195 2.290 111.700 4.630 4 U 8.597000E+06 0.000000E+00 a 0 0 0 0
196 2.258 111.700 4.627 4 U 9.227000E+06 0.000000E+00 a 0 0 0 0
197 2.233 111.700 4.630 4 U 8.616000E+06 0.000000E+00 a 0 0 0 0
198 0.946 111.700 2.082 4 U 7.981000E+05 0.000000E+00 a 0 0 0 0
199 0.924 111.700 2.020 4 U 9.154000E+05 0.000000E+00 a 0 0 0 0
200 0.896 111.700 1.087 4 U 8.307000E+05 0.000000E+00 a 0 0 0 0
201 2.407 111.700 3.975 4 U 9.474000E+05 0.000000E+00 a 0 0 0 0
202 0.925 111.700 4.627 4 U 8.828000E+06 0.000000E+00 a 0 0 0 0
203 0.916 111.700 3.975 4 U 1.169000E+06 0.000000E+00 a 0 0 0 0
204 0.896 111.700 4.621 4 U 8.684000E+06 0.000000E+00 a 0 0 0 0
205 1.066 111.700 3.116 4 U 8.904000E+05 0.000000E+00 a 0 0 0 0
206 1.744 111.700 3.089 4 U 8.405000E+05 0.000000E+00 a 0 0 0 0
207 2.301 111.700 3.967 4 U 1.014000E+06 0.000000E+00 a 0 0 0 0
208 3.642 111.700 3.843 4 U 1.583000E+06 0.000000E+00 a 0 0 0 0
209 3.877 111.700 3.637 4 U 1.593000E+06 0.000000E+00 a 0 0 0 0
210 1.469 111.700 3.131 4 U 1.159000E+06 0.000000E+00 a 0 0 0 0
211 2.945 111.700 4.631 4 U 8.532000E+06 0.000000E+00 a 0 0 0 0
212 2.930 111.700 4.627 4 U 7.978000E+06 0.000000E+00 a 0 0 0 0
213 3.282 111.700 4.621 4 U 8.482000E+06 0.000000E+00 a 0 0 0 0
214 4.638 111.700 3.153 4 U 9.462000E+05 0.000000E+00 a 0 0 0 0
215 7.165 121.382 0.035 4 U 1.356000E+06 0.000000E+00 a 0 0 0 0
217 7.166 121.342 3.098 3 U 5.982000E+06 0.000000E+00 a 0 295 291 286 #QU 0.997 #SUP 1.00
218 7.161 121.417 4.843 4 U 1.987000E+06 0.000000E+00 a 0 0 0 0
220 7.174 120.876 3.001 3 U 2.914000E+06 0.000000E+00 a 0 1096 1092 1088 #QU 0.883 #SUP 0.88
221 8.553 135.761 0.320 3 U 5.117000E+06 0.000000E+00 a 0 539 536 455 #QU 0.344 #SUP 0.34
222 8.101 137.016 -0.046 4 U 3.325000E+06 0.000000E+00 a 0 0 0 0
223 8.091 137.129 6.642 4 U 1.345000E+06 0.000000E+00 a 0 0 0 0
224 7.142 133.751 2.672 3 U 1.855000E+06 0.000000E+00 a 0 390 394 411 #QU 0.608 #SUP 0.61
225 7.143 133.714 4.747 3 U 1.420000E+06 0.000000E+00 a 0 390 394 301 #QU 0.766 #SUP 0.77
226 7.143 133.686 -0.187 3 U 1.042000E+06 0.000000E+00 a 0 390 394 454 #QU 0.870 #SUP 0.87
228 6.807 118.565 4.714 3 U 1.593000E+06 0.000000E+00 a 0 391 399 301 #QU 0.418 #SUP 0.42
229 6.807 118.414 4.301 4 U 1.471000E+06 0.000000E+00 a 0 0 0 0
230 6.806 118.472 -0.185 3 U 3.813000E+06 0.000000E+00 a 0 391 399 454 #QU 0.536 #SUP 0.54
231 6.806 118.590 0.320 3 U 1.175000E+06 0.000000E+00 a 0 391 399 455 #QU 0.550 #SUP 0.55
232 6.805 118.661 0.920 4 U 1.091000E+06 0.000000E+00 a 0 0 0 0
233 6.805 118.567 3.403 3 U 1.965000E+06 0.000000E+00 a 0 391 399 387 #QU 0.674 #SUP 0.67
234 7.305 132.151 4.690 3 U 1.337000E+06 0.000000E+00 a 0 318 327 312 #QU 0.486 #SUP 0.49
235 7.305 132.196 3.269 3 U 2.967000E+06 0.000000E+00 a 0 318 327 314 #QU 0.996 #SUP 1.00
236 7.306 132.337 2.935 3 U 1.063000E+06 0.000000E+00 a 0 318 327 315 #QU 0.967 #SUP 0.97
237 8.549 135.747 2.891 4 U 9.470000E+05 0.000000E+00 a 0 0 0 0
238 8.553 135.697 3.858 3 U 9.300000E+05 0.000000E+00 a 0 539 536 953 #QU 0.220 #SUP 0.22
239 8.555 135.697 4.747 4 U 1.144000E+06 0.000000E+00 a 0 0 0 0 #QU 0.022
241 8.554 135.724 7.609 3 U 1.362000E+06 0.000000E+00 a 0 539 536 538 #QU 0.798 #SUP 0.80
242 8.397 137.042 1.223 4 U 2.526000E+06 0.000000E+00 a 0 0 0 0
243 8.394 136.900 4.752 4 U 1.733000E+06 0.000000E+00 a 0 0 0 0
244 8.398 136.846 7.271 3 U 1.378000E+06 0.000000E+00 a 0 211 208 210 #QU 0.923 #SUP 0.92
245 8.393 136.979 7.460 4 U 1.049000E+06 0.000000E+00 a 0 0 0 0
246 8.398 137.042 1.273 4 U 1.292000E+06 0.000000E+00 a 0 0 0 0
247 8.258 136.400 2.232 4 U 3.543000E+06 0.000000E+00 a 0 0 0 0
248 8.255 136.396 2.563 4 U 2.850000E+06 0.000000E+00 a 0 0 0 0
251 8.259 136.211 3.798 4 U 8.487000E+05 0.000000E+00 a 0 0 0 0
252 8.262 136.340 3.230 4 U 8.496000E+05 0.000000E+00 a 0 0 0 0
253 8.261 136.189 7.132 4 U 1.774000E+06 0.000000E+00 a 0 0 0 0
254 7.166 121.342 3.054 3 U 5.660000E+06 0.000000E+00 a 0 295 291 287 #QU 0.628 #SUP 0.63
255 8.107 137.016 3.785 4 U 8.562000E+05 0.000000E+00 a 0 0 0 0 #QU 0.016
259 8.259 136.232 4.734 4 U 1.835000E+06 0.000000E+00 a 0 0 0 0
260 7.173 120.869 4.716 4 U 1.789000E+06 0.000000E+00 a 0 0 0 0
261 7.169 120.973 2.639 4 U 8.644000E+05 0.000000E+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 HN . . 14 ppm . . . 4.7546646 . . 30598 3
2 . . N 15 N . . 30.005 ppm . . . 119.061 . . 30598 3
3 . . H 1 H . . 14 ppm . . . 4.7546646 . . 30598 3
stop_
save_