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 30312
_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 6
_Spectral_peak_list.Experiment_name '3D 15N/13Caliphatic/13Caromatic-edited [1H,1H]-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 .
_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 3
#INAME 1 HN
#INAME 2 H
#INAME 3 N
#SPECTRUM N15NOESY HN H N
1 6.914 7.576 112.070 0 U 2.440e+05 0.00e+00 - 0 676 678 677 0
2 6.914 2.424 111.939 0 U 9.861e+02 0.00e+00 - 0 676 521 677 0
3 9.180 4.312 121.125 0 U 4.535e+02 0.00e+00 - 0 35 512 36 0
4 7.581 6.908 112.073 0 U 2.414e+05 0.00e+00 - 0 0 0 0 0
5 7.581 2.425 112.063 0 U 8.231e+02 0.00e+00 - 0 678 521 677 0
6 8.703 8.137 120.908 0 U 9.624e+03 0.00e+00 - 0 0 0 0 0
7 8.702 4.247 120.894 0 U 2.492e+04 0.00e+00 - 0 0 0 0 0
8 8.702 2.347 120.898 0 U 7.318e+03 0.00e+00 - 0 37 522 38 0
9 8.702 2.052 120.892 0 U 3.222e+04 0.00e+00 - 0 37 478 38 0
10 8.702 1.189 120.916 0 U 1.067e+03 0.00e+00 - 0 37 547 38 0
11 8.142 8.695 115.055 0 U 8.446e+03 0.00e+00 - 0 71 37 72 0
12 8.148 8.577 114.613 0 U 2.986e+03 0.00e+00 - 0 0 0 0 0
13 8.146 8.277 114.837 0 U 3.163e+04 0.00e+00 - 0 0 0 0 0
14 8.143 4.246 115.029 0 U 2.082e+04 0.00e+00 - 0 0 0 0 0
15 8.144 4.126 114.871 0 U 1.216e+04 0.00e+00 - 0 0 0 0 0
16 8.148 3.812 114.605 0 U 1.247e+04 0.00e+00 - 0 75 436 76 0
17 8.148 3.312 114.608 0 U 1.938e+04 0.00e+00 - 0 75 479 76 0
18 8.143 2.345 115.046 0 U 2.553e+03 0.00e+00 - 0 71 522 72 0
19 8.143 2.046 115.060 0 U 1.130e+04 0.00e+00 - 0 71 478 72 0
20 8.146 1.905 114.782 0 U 3.811e+03 0.00e+00 - 0 0 0 0 0
21 8.149 1.715 114.672 0 U 1.886e+03 0.00e+00 - 0 0 0 0 0
22 8.143 1.188 115.075 0 U 1.260e+04 0.00e+00 - 0 71 547 72 0
23 8.287 8.677 123.268 0 U 1.344e+03 0.00e+00 - 0 23 37 24 0
24 8.287 8.135 123.267 0 U 2.606e+04 0.00e+00 - 0 0 0 0 0
25 8.287 4.163 123.262 0 U 1.647e+04 0.00e+00 - 0 23 435 24 0
26 8.288 3.308 123.270 0 U 1.288e+03 0.00e+00 - 0 23 479 24 0
27 8.287 3.205 123.253 0 U 1.737e+03 0.00e+00 - 0 0 0 0 0
28 8.286 2.338 123.255 0 U 1.196e+03 0.00e+00 - 0 23 522 24 0
29 8.287 1.906 123.263 0 U 3.214e+04 0.00e+00 - 0 23 467 24 0
30 8.287 1.765 123.271 0 U 1.062e+04 0.00e+00 - 0 23 526 24 0
31 8.287 1.642 123.258 0 U 6.930e+03 0.00e+00 - 0 23 527 24 0
32 8.288 1.185 123.266 0 U 3.648e+03 0.00e+00 - 0 23 547 24 0
33 7.396 1.904 112.025 0 U 2.507e+03 0.00e+00 - 0 680 467 681 0
34 7.396 1.758 111.961 0 U 1.206e+03 0.00e+00 - 0 680 526 681 0
35 7.394 1.642 112.053 0 U 1.256e+03 0.00e+00 - 0 680 527 681 0
36 8.144 9.183 121.390 0 U 3.194e+03 0.00e+00 - 0 0 0 0 0
37 8.144 8.277 121.382 0 U 1.461e+04 0.00e+00 - 0 0 0 0 0
38 8.144 4.161 121.388 0 U 2.166e+04 0.00e+00 - 0 0 0 0 0
39 8.143 3.209 121.484 0 U 9.238e+02 0.00e+00 - 0 0 0 0 0
40 8.143 1.695 121.393 0 U 4.042e+03 0.00e+00 - 0 31 535 32 0
42 8.144 1.416 121.391 0 U 2.937e+03 0.00e+00 - 0 31 534 32 0
43 8.095 9.070 120.119 0 U 2.633e+03 0.00e+00 - 0 0 0 0 0
44 8.096 8.286 120.115 0 U 1.171e+04 0.00e+00 - 0 0 0 0 0
45 8.095 4.142 120.105 0 U 2.442e+04 0.00e+00 - 0 0 0 0 0
46 8.095 3.313 120.111 0 U 1.870e+03 0.00e+00 - 0 41 479 42 0
47 8.097 2.952 120.091 0 U 9.904e+02 0.00e+00 - 0 0 0 0 0
48 8.094 2.396 120.189 0 U 8.532e+02 0.00e+00 - 0 0 0 0 0
49 8.095 1.718 120.066 0 U 4.679e+03 0.00e+00 - 0 0 0 0 0
50 8.095 1.550 120.096 0 U 6.327e+03 0.00e+00 - 0 0 0 0 0
51 8.096 1.424 120.105 0 U 4.403e+03 0.00e+00 - 0 0 0 0 0
52 8.094 0.965 120.158 0 U 9.606e+02 0.00e+00 - 0 41 618 42 0
53 8.292 8.120 117.768 0 U 1.857e+04 0.00e+00 - 0 0 0 0 0
54 8.294 4.492 117.814 0 U 8.743e+02 0.00e+00 - 0 0 0 0 0
55 8.293 4.122 117.765 0 U 1.557e+04 0.00e+00 - 0 0 0 0 0
56 8.293 3.312 117.768 0 U 3.154e+04 0.00e+00 - 0 57 479 58 0
57 8.293 1.890 117.764 0 U 1.343e+04 0.00e+00 - 0 0 0 0 0
58 8.293 1.724 117.756 0 U 1.777e+03 0.00e+00 - 0 0 0 0 0
59 8.292 1.553 117.780 0 U 1.744e+03 0.00e+00 - 0 57 541 58 0
60 8.292 1.423 117.731 0 U 1.674e+03 0.00e+00 - 0 0 0 0 0
61 8.294 1.179 117.785 0 U 8.248e+02 0.00e+00 - 0 57 547 58 0
62 8.293 0.968 117.728 0 U 2.830e+03 0.00e+00 - 0 57 618 58 0
63 8.149 2.216 114.650 0 U 1.411e+03 0.00e+00 - 0 75 492 76 0
64 8.148 1.273 114.627 0 U 7.891e+03 0.00e+00 - 0 75 545 76 0
65 8.274 8.403 121.038 0 U 1.390e+04 0.00e+00 - 0 33 53 34 0
66 8.274 6.811 121.005 0 U 2.395e+03 0.00e+00 - 0 0 0 0 0
67 8.274 4.294 121.031 0 U 1.048e+04 0.00e+00 - 0 33 468 34 0
68 8.274 4.144 121.039 0 U 5.844e+03 0.00e+00 - 0 0 0 0 0
69 8.274 4.028 121.034 0 U 1.067e+04 0.00e+00 - 0 33 445 34 0
70 8.273 3.813 121.024 0 U 3.230e+03 0.00e+00 - 0 33 436 34 0
71 8.276 3.302 121.085 0 U 1.061e+03 0.00e+00 - 0 33 479 34 0
72 8.275 2.910 121.076 0 U 1.152e+03 0.00e+00 - 0 0 0 0 0
73 8.274 2.410 121.032 0 U 7.529e+03 0.00e+00 - 0 0 0 0 0
74 8.274 2.217 121.038 0 U 1.476e+04 0.00e+00 - 0 33 492 34 0
75 8.274 2.089 121.036 0 U 1.104e+04 0.00e+00 - 0 33 507 34 0
76 8.273 1.896 121.051 0 U 3.538e+03 0.00e+00 - 0 0 0 0 0
77 8.273 1.695 121.020 0 U 1.317e+03 0.00e+00 - 0 0 0 0 0
78 8.271 1.554 121.085 0 U 9.967e+02 0.00e+00 - 0 33 541 34 0
79 8.274 1.410 121.043 0 U 1.067e+03 0.00e+00 - 0 0 0 0 0
80 8.273 1.276 121.039 0 U 3.888e+03 0.00e+00 - 0 33 545 34 0
81 8.415 7.881 118.755 0 U 2.483e+03 0.00e+00 - 0 0 0 0 0
82 8.415 7.352 118.724 0 U 1.813e+03 0.00e+00 - 0 53 67 54 0
83 8.415 4.543 118.744 0 U 9.261e+03 0.00e+00 - 0 53 440 54 0
84 8.413 4.285 118.741 0 U 1.008e+03 0.00e+00 - 0 53 468 54 0
85 8.418 3.809 118.752 0 U 1.326e+03 0.00e+00 - 0 53 436 54 0
86 8.415 2.898 118.741 0 U 1.197e+04 0.00e+00 - 0 53 553 54 0
87 8.415 2.685 118.744 0 U 6.251e+03 0.00e+00 - 0 53 554 54 0
88 8.415 2.404 118.741 0 U 1.520e+04 0.00e+00 - 0 0 0 0 0
89 8.415 2.211 118.738 0 U 7.253e+03 0.00e+00 - 0 53 492 54 0
90 8.415 2.084 118.755 0 U 8.460e+03 0.00e+00 - 0 0 0 0 0
91 8.415 1.903 118.735 0 U 9.393e+03 0.00e+00 - 0 53 503 54 0
92 8.415 1.703 118.728 0 U 2.206e+03 0.00e+00 - 0 0 0 0 0
93 8.414 1.439 118.756 0 U 1.590e+03 0.00e+00 - 0 0 0 0 0
94 8.416 0.897 118.741 0 U 1.682e+03 0.00e+00 - 0 0 0 0 0
95 8.415 0.762 118.729 0 U 1.565e+03 0.00e+00 - 0 53 599 54 0
96 8.339 7.360 119.636 0 U 1.463e+04 0.00e+00 - 0 43 67 44 0
97 8.339 4.544 119.634 0 U 3.528e+03 0.00e+00 - 0 43 440 44 0
98 8.339 3.988 119.633 0 U 1.403e+04 0.00e+00 - 0 43 452 44 0
99 8.339 3.814 119.641 0 U 5.854e+03 0.00e+00 - 0 43 436 44 0
100 8.337 3.017 119.610 0 U 1.270e+03 0.00e+00 - 0 43 564 44 0
101 8.340 2.907 119.632 0 U 1.838e+03 0.00e+00 - 0 43 553 44 0
102 8.339 2.697 119.622 0 U 1.519e+03 0.00e+00 - 0 43 554 44 0
103 8.339 2.402 119.634 0 U 7.045e+03 0.00e+00 - 0 43 488 44 0
104 8.339 1.710 119.639 0 U 1.915e+04 0.00e+00 - 0 43 561 44 0
105 8.339 1.426 119.635 0 U 6.543e+03 0.00e+00 - 0 43 560 44 0
106 8.342 1.273 119.616 0 U 1.448e+03 0.00e+00 - 0 43 545 44 0
107 8.338 0.911 119.630 0 U 3.928e+03 0.00e+00 - 0 43 600 44 0
108 8.339 0.760 119.643 0 U 4.630e+03 0.00e+00 - 0 43 599 44 0
109 7.367 8.334 116.008 0 U 1.356e+04 0.00e+00 - 0 67 43 68 0
110 7.367 7.736 116.001 0 U 1.811e+04 0.00e+00 - 0 67 51 68 0
111 7.368 4.541 116.000 0 U 1.813e+03 0.00e+00 - 0 67 440 68 0
112 7.367 4.087 114.063 0 U 7.098e+02 0.00e+00 - 0 77 448 78 0
113 7.369 3.812 115.979 0 U 2.034e+03 0.00e+00 - 0 67 436 68 0
114 7.367 1.593 115.996 0 U 9.146e+03 0.00e+00 - 0 67 569 68 0
115 7.367 1.426 115.998 0 U 5.549e+03 0.00e+00 - 0 67 568 68 0
116 7.743 7.968 118.871 0 U 1.355e+04 0.00e+00 - 0 51 47 52 0
117 7.743 7.359 118.868 0 U 1.677e+04 0.00e+00 - 0 51 67 52 0
118 7.743 4.544 118.874 0 U 5.512e+03 0.00e+00 - 0 51 440 52 0
119 7.743 4.057 118.880 0 U 5.254e+03 0.00e+00 - 0 0 0 0 0
120 7.743 3.922 118.862 0 U 1.137e+04 0.00e+00 - 0 51 442 52 0
121 7.741 2.742 118.835 0 U 1.242e+03 0.00e+00 - 0 51 504 52 0
122 7.743 1.873 118.869 0 U 1.417e+04 0.00e+00 - 0 51 472 52 0
123 7.743 1.689 118.871 0 U 1.743e+04 0.00e+00 - 0 51 490 52 0
124 7.743 1.457 118.870 0 U 1.418e+04 0.00e+00 - 0 51 505 52 0
125 7.743 1.044 118.877 0 U 2.824e+03 0.00e+00 - 0 51 578 52 0
126 7.743 0.511 118.880 0 U 2.704e+03 0.00e+00 - 0 51 605 52 0
127 7.974 7.737 119.147 0 U 1.643e+04 0.00e+00 - 0 47 51 48 0
128 7.975 7.336 119.149 0 U 9.284e+03 0.00e+00 - 0 0 0 0 0
129 7.975 7.096 119.154 0 U 4.671e+03 0.00e+00 - 0 47 45 48 0
130 7.975 4.899 119.153 0 U 6.235e+03 0.00e+00 - 0 47 441 48 0
131 7.975 4.539 119.147 0 U 2.624e+03 0.00e+00 - 0 47 440 48 0
132 7.975 3.933 119.158 0 U 5.190e+03 0.00e+00 - 0 47 442 48 0
133 7.975 3.098 119.166 0 U 7.113e+03 0.00e+00 - 0 47 489 48 0
134 7.975 2.748 119.154 0 U 1.376e+04 0.00e+00 - 0 47 504 48 0
135 7.974 1.883 119.146 0 U 3.008e+03 0.00e+00 - 0 0 0 0 0
136 7.975 1.691 119.156 0 U 6.307e+03 0.00e+00 - 0 47 490 48 0
137 7.975 1.459 119.156 0 U 9.995e+03 0.00e+00 - 0 47 505 48 0
138 7.975 1.047 119.138 0 U 1.073e+03 0.00e+00 - 0 47 578 48 0
139 7.975 0.918 119.144 0 U 3.057e+03 0.00e+00 - 0 47 600 48 0
140 7.972 0.510 119.126 0 U 2.127e+03 0.00e+00 - 0 0 0 0 0
141 7.978 0.336 119.176 0 U 1.192e+03 0.00e+00 - 0 47 628 48 0
142 7.102 8.820 119.225 0 U 8.647e+03 0.00e+00 - 0 45 73 46 0
143 7.103 7.966 119.221 0 U 5.112e+03 0.00e+00 - 0 45 47 46 0
144 7.102 4.898 119.225 0 U 1.547e+04 0.00e+00 - 0 45 441 46 0
145 7.102 4.206 119.223 0 U 1.470e+04 0.00e+00 - 0 45 455 46 0
146 7.102 3.921 119.228 0 U 1.459e+03 0.00e+00 - 0 45 442 46 0
147 7.101 3.084 119.225 0 U 2.310e+03 0.00e+00 - 0 0 0 0 0
148 7.103 2.743 119.305 0 U 1.284e+03 0.00e+00 - 0 45 504 46 0
149 7.102 1.878 119.224 0 U 2.793e+04 0.00e+00 - 0 45 477 46 0
150 7.102 1.463 119.220 0 U 1.347e+04 0.00e+00 - 0 0 0 0 0
151 6.990 7.669 112.947 0 U 2.126e+05 0.00e+00 - 0 604 602 603 0
152 6.990 3.046 112.936 0 U 4.563e+03 0.00e+00 - 0 0 0 0 0
153 6.990 2.951 112.940 0 U 6.856e+03 0.00e+00 - 0 604 509 603 0
154 6.990 1.862 112.926 0 U 8.102e+02 0.00e+00 - 0 604 477 603 0
155 6.991 1.743 112.948 0 U 9.123e+02 0.00e+00 - 0 604 586 603 0
156 6.990 1.462 112.940 0 U 1.753e+03 0.00e+00 - 0 0 0 0 0
157 6.989 -0.469 112.927 0 U 7.547e+02 0.00e+00 - 0 0 0 0 0
158 8.826 7.845 114.928 0 U 1.532e+04 0.00e+00 - 0 73 63 74 0
159 8.824 7.673 114.895 0 U 1.525e+03 0.00e+00 - 0 73 602 74 0
160 8.826 7.097 114.925 0 U 8.880e+03 0.00e+00 - 0 73 45 74 0
161 8.826 4.878 114.926 0 U 1.518e+04 0.00e+00 - 0 0 0 0 0
162 8.826 4.205 114.921 0 U 1.841e+04 0.00e+00 - 0 73 455 74 0
163 8.826 3.048 114.926 0 U 9.102e+03 0.00e+00 - 0 73 494 74 0
164 8.826 2.951 114.923 0 U 1.152e+04 0.00e+00 - 0 73 509 74 0
165 8.826 1.877 114.917 0 U 8.054e+03 0.00e+00 - 0 73 477 74 0
166 8.827 1.736 114.964 0 U 1.501e+03 0.00e+00 - 0 73 586 74 0
167 8.826 1.462 114.917 0 U 6.267e+03 0.00e+00 - 0 0 0 0 0
168 7.675 8.820 112.904 0 U 1.481e+03 0.00e+00 - 0 602 73 603 0
169 7.675 6.985 112.945 0 U 2.172e+05 0.00e+00 - 0 602 604 603 0
170 7.676 4.884 112.964 0 U 1.047e+03 0.00e+00 - 0 602 450 603 0
171 7.676 3.047 112.931 0 U 6.978e+03 0.00e+00 - 0 0 0 0 0
172 7.676 2.949 112.929 0 U 1.318e+04 0.00e+00 - 0 602 509 603 0
173 7.677 1.874 112.925 0 U 1.074e+03 0.00e+00 - 0 602 477 603 0
174 7.675 1.463 112.910 0 U 1.601e+03 0.00e+00 - 0 0 0 0 0
175 7.676 -0.448 113.011 0 U 8.753e+02 0.00e+00 - 0 0 0 0 0
176 7.851 8.821 117.163 0 U 1.691e+04 0.00e+00 - 0 63 73 64 0
177 7.849 8.452 117.202 0 U 2.185e+03 0.00e+00 - 0 63 27 64 0
178 7.851 5.201 117.165 0 U 1.011e+04 0.00e+00 - 0 63 433 64 0
179 7.851 4.877 117.171 0 U 5.898e+03 0.00e+00 - 0 0 0 0 0
180 7.851 4.205 117.144 0 U 3.841e+03 0.00e+00 - 0 63 455 64 0
181 7.851 3.410 117.165 0 U 1.170e+04 0.00e+00 - 0 63 486 64 0
182 7.851 3.077 117.161 0 U 4.121e+03 0.00e+00 - 0 0 0 0 0
183 7.850 2.951 117.139 0 U 2.583e+03 0.00e+00 - 0 63 509 64 0
184 7.851 2.648 117.156 0 U 6.229e+03 0.00e+00 - 0 63 501 64 0
185 7.853 1.881 117.199 0 U 1.342e+03 0.00e+00 - 0 63 477 64 0
186 7.849 1.455 117.189 0 U 9.350e+02 0.00e+00 - 0 63 584 64 0
187 7.851 0.919 117.180 0 U 2.156e+03 0.00e+00 - 0 63 600 64 0
188 7.855 0.335 117.195 0 U 1.593e+03 0.00e+00 - 0 63 628 64 0
189 8.462 9.255 122.140 0 U 5.503e+03 0.00e+00 - 0 27 9 28 0
190 8.461 5.200 122.137 0 U 2.268e+04 0.00e+00 - 0 27 433 28 0
191 8.462 4.855 122.154 0 U 9.179e+02 0.00e+00 - 0 27 426 28 0
192 8.461 4.563 122.132 0 U 1.061e+04 0.00e+00 - 0 27 422 28 0
193 8.461 3.409 122.143 0 U 7.988e+03 0.00e+00 - 0 27 486 28 0
194 8.459 3.104 122.122 0 U 1.213e+03 0.00e+00 - 0 27 508 28 0
195 8.461 2.647 122.136 0 U 1.782e+04 0.00e+00 - 0 27 501 28 0
196 8.460 2.354 122.147 0 U 3.238e+03 0.00e+00 - 0 27 595 28 0
197 8.461 1.778 122.135 0 U 2.373e+03 0.00e+00 - 0 27 497 28 0
198 8.461 1.483 122.102 0 U 1.025e+03 0.00e+00 - 0 0 0 0 0
199 8.461 0.923 122.135 0 U 1.898e+03 0.00e+00 - 0 27 600 28 0
200 8.461 0.334 122.139 0 U 2.829e+03 0.00e+00 - 0 27 628 28 0
201 8.824 4.812 128.090 0 U 6.396e+03 0.00e+00 - 0 5 423 6 0
202 8.823 2.353 128.068 0 U 3.025e+03 0.00e+00 - 0 5 595 6 0
203 8.825 2.105 128.078 0 U 7.282e+03 0.00e+00 - 0 0 0 0 0
204 8.824 1.955 128.074 0 U 1.883e+04 0.00e+00 - 0 5 462 6 0
205 8.823 1.717 128.115 0 U 1.481e+03 0.00e+00 - 0 0 0 0 0
206 8.824 1.424 128.055 0 U 1.682e+03 0.00e+00 - 0 5 560 6 0
207 8.824 0.919 128.075 0 U 1.132e+04 0.00e+00 - 0 5 600 6 0
208 8.825 0.763 128.073 0 U 4.009e+03 0.00e+00 - 0 5 599 6 0
209 9.220 8.794 127.920 0 U 5.487e+03 0.00e+00 - 0 0 0 0 0
210 9.220 4.810 127.915 0 U 2.643e+04 0.00e+00 - 0 7 423 8 0
211 9.222 4.576 127.871 0 U 5.072e+03 0.00e+00 - 0 7 424 8 0
212 9.219 3.148 127.908 0 U 1.344e+03 0.00e+00 - 0 7 609 8 0
213 9.220 1.749 127.913 0 U 8.240e+03 0.00e+00 - 0 7 499 8 0
214 9.220 1.584 127.912 0 U 2.972e+03 0.00e+00 - 0 7 611 8 0
215 9.220 0.898 127.924 0 U 4.983e+03 0.00e+00 - 0 0 0 0 0
216 9.220 0.760 127.918 0 U 8.432e+03 0.00e+00 - 0 7 599 8 0
217 9.223 0.515 127.874 0 U 1.699e+03 0.00e+00 - 0 7 626 8 0
218 7.311 7.522 111.987 0 U 9.979e+02 0.00e+00 - 0 0 0 0 0
219 7.313 4.801 111.771 0 U 2.424e+03 0.00e+00 - 0 0 0 0 0
220 7.318 2.096 111.633 0 U 1.511e+03 0.00e+00 - 0 684 639 685 0
221 7.308 1.893 111.853 0 U 1.067e+03 0.00e+00 - 0 682 484 683 0
222 7.308 1.753 111.836 0 U 2.972e+02 0.00e+00 - 0 0 0 0 0
223 9.124 8.622 123.907 0 U 2.452e+03 0.00e+00 - 0 19 17 20 0
224 9.125 4.704 123.916 0 U 2.038e+04 0.00e+00 - 0 19 429 20 0
225 9.125 3.461 123.914 0 U 4.807e+03 0.00e+00 - 0 19 483 20 0
226 9.125 3.171 123.908 0 U 1.001e+04 0.00e+00 - 0 19 498 20 0
227 9.125 1.880 123.914 0 U 3.593e+03 0.00e+00 - 0 19 484 20 0
228 9.125 1.748 123.918 0 U 2.659e+03 0.00e+00 - 0 19 499 20 0
229 9.126 1.491 123.909 0 U 2.100e+03 0.00e+00 - 0 19 610 20 0
230 9.122 0.878 123.864 0 U 8.700e+02 0.00e+00 - 0 19 619 20 0
231 8.627 9.113 124.889 0 U 2.507e+03 0.00e+00 - 0 17 19 18 0
232 8.628 8.231 124.811 0 U 1.215e+03 0.00e+00 - 0 17 65 18 0
233 8.626 4.757 124.858 0 U 2.433e+04 0.00e+00 - 0 17 428 18 0
234 8.625 4.560 124.879 0 U 4.429e+03 0.00e+00 - 0 17 427 18 0
235 8.626 3.460 124.846 0 U 4.369e+03 0.00e+00 - 0 17 483 18 0
236 8.626 3.125 124.857 0 U 1.123e+04 0.00e+00 - 0 17 485 18 0
237 8.626 2.537 124.870 0 U 8.942e+03 0.00e+00 - 0 17 500 18 0
238 8.627 2.007 124.860 0 U 9.398e+02 0.00e+00 - 0 17 511 18 0
239 8.626 0.968 124.856 0 U 2.292e+03 0.00e+00 - 0 17 618 18 0
240 8.627 0.872 124.862 0 U 1.286e+03 0.00e+00 - 0 17 619 18 0
241 8.777 8.618 123.243 0 U 9.692e+03 0.00e+00 - 0 0 0 0 0
242 8.777 4.721 123.241 0 U 1.867e+04 0.00e+00 - 0 25 432 26 0
243 8.777 4.152 123.237 0 U 7.181e+03 0.00e+00 - 0 25 453 26 0
244 8.776 3.884 123.182 0 U 9.563e+02 0.00e+00 - 0 25 475 26 0
245 8.776 3.117 123.233 0 U 2.676e+03 0.00e+00 - 0 25 485 26 0
246 8.778 2.533 123.256 0 U 4.691e+03 0.00e+00 - 0 25 500 26 0
247 8.777 2.370 123.233 0 U 4.359e+03 0.00e+00 - 0 25 614 26 0
248 8.778 2.285 123.229 0 U 4.371e+03 0.00e+00 - 0 25 613 26 0
249 8.777 2.160 123.241 0 U 7.071e+03 0.00e+00 - 0 25 496 26 0
250 8.777 1.989 123.242 0 U 1.311e+04 0.00e+00 - 0 25 511 26 0
251 8.617 8.762 115.095 0 U 1.073e+04 0.00e+00 - 0 69 25 70 0
252 8.617 7.678 115.098 0 U 1.104e+04 0.00e+00 - 0 69 61 70 0
253 8.618 4.723 115.075 0 U 2.270e+03 0.00e+00 - 0 69 432 70 0
254 8.617 4.287 115.095 0 U 9.819e+03 0.00e+00 - 0 69 449 70 0
255 8.617 4.153 115.100 0 U 6.664e+03 0.00e+00 - 0 69 453 70 0
256 8.617 3.886 115.090 0 U 1.782e+04 0.00e+00 - 0 69 475 70 0
257 8.615 3.111 115.095 0 U 1.370e+03 0.00e+00 - 0 69 485 70 0
258 8.616 2.545 115.038 0 U 1.439e+03 0.00e+00 - 0 69 500 70 0
259 8.616 2.379 115.156 0 U 9.487e+02 0.00e+00 - 0 69 614 70 0
260 8.615 2.271 115.089 0 U 1.151e+03 0.00e+00 - 0 69 613 70 0
261 8.618 2.161 115.112 0 U 4.001e+03 0.00e+00 - 0 69 496 70 0
262 8.617 1.989 115.089 0 U 3.661e+03 0.00e+00 - 0 69 511 70 0
263 7.634 6.689 111.583 0 U 9.808e+04 0.00e+00 - 0 675 673 674 0
264 7.634 4.655 111.552 0 U 9.705e+02 0.00e+00 - 0 675 458 674 0
265 7.634 3.248 111.629 0 U 1.204e+03 0.00e+00 - 0 675 487 674 0
266 7.635 2.793 111.576 0 U 1.096e+04 0.00e+00 - 0 0 0 0 0
267 7.684 8.610 117.465 0 U 7.238e+03 0.00e+00 - 0 61 69 62 0
268 7.685 8.414 117.440 0 U 1.586e+03 0.00e+00 - 0 0 0 0 0
269 7.686 8.228 117.516 0 U 1.372e+03 0.00e+00 - 0 61 65 62 0
270 7.684 7.999 117.483 0 U 6.010e+03 0.00e+00 - 0 61 79 62 0
271 7.684 4.651 117.474 0 U 5.245e+03 0.00e+00 - 0 61 458 62 0
272 7.681 4.489 117.484 0 U 1.072e+03 0.00e+00 - 0 61 451 62 0
273 7.683 4.289 117.455 0 U 3.356e+03 0.00e+00 - 0 61 449 62 0
274 7.685 3.886 117.460 0 U 4.761e+03 0.00e+00 - 0 61 475 62 0
275 7.690 3.107 117.488 0 U 1.054e+03 0.00e+00 - 0 61 485 62 0
276 6.695 7.629 111.585 0 U 1.076e+05 0.00e+00 - 0 673 675 674 0
277 6.694 3.260 111.602 0 U 1.712e+03 0.00e+00 - 0 673 487 674 0
278 6.695 2.793 111.585 0 U 8.692e+03 0.00e+00 - 0 0 0 0 0
279 8.002 8.778 113.449 0 U 1.356e+03 0.00e+00 - 0 79 25 80 0
280 8.005 8.614 113.432 0 U 1.294e+03 0.00e+00 - 0 0 0 0 0
281 8.005 8.221 113.431 0 U 4.733e+03 0.00e+00 - 0 79 65 80 0
282 8.004 7.678 113.405 0 U 6.050e+03 0.00e+00 - 0 79 61 80 0
283 8.005 4.649 113.447 0 U 3.649e+03 0.00e+00 - 0 79 458 80 0
284 8.005 4.483 113.419 0 U 9.482e+03 0.00e+00 - 0 79 451 80 0
285 8.011 4.154 113.460 0 U 1.089e+03 0.00e+00 - 0 79 453 80 0
286 8.006 3.541 113.454 0 U 2.074e+03 0.00e+00 - 0 79 495 80 0
287 8.007 3.335 113.399 0 U 2.535e+03 0.00e+00 - 0 79 510 80 0
288 8.000 2.787 113.408 0 U 1.770e+03 0.00e+00 - 0 79 615 80 0
289 8.226 8.892 116.357 0 U 2.253e+03 0.00e+00 - 0 0 0 0 0
290 8.228 8.000 116.356 0 U 6.315e+03 0.00e+00 - 0 65 79 66 0
291 8.227 5.320 116.357 0 U 5.271e+03 0.00e+00 - 0 65 434 66 0
292 8.227 4.484 116.356 0 U 8.751e+03 0.00e+00 - 0 65 451 66 0
293 8.228 3.532 116.391 0 U 1.824e+03 0.00e+00 - 0 65 495 66 0
294 8.227 3.257 116.362 0 U 1.139e+04 0.00e+00 - 0 65 487 66 0
295 8.227 3.120 116.365 0 U 4.410e+03 0.00e+00 - 0 65 485 66 0
296 8.226 2.803 116.349 0 U 1.710e+03 0.00e+00 - 0 65 616 66 0
297 8.227 2.590 116.369 0 U 6.283e+03 0.00e+00 - 0 65 502 66 0
298 8.228 1.189 116.344 0 U 1.722e+03 0.00e+00 - 0 65 547 66 0
299 9.095 9.388 122.075 0 U 1.860e+03 0.00e+00 - 0 0 0 0 0
300 9.098 5.320 122.048 0 U 1.434e+04 0.00e+00 - 0 29 434 30 0
301 9.101 4.941 122.043 0 U 3.049e+03 0.00e+00 - 0 29 667 30 0
302 9.098 4.558 122.067 0 U 3.262e+03 0.00e+00 - 0 29 427 30 0
303 9.098 3.256 122.048 0 U 3.500e+03 0.00e+00 - 0 29 487 30 0
304 9.098 2.596 122.040 0 U 6.315e+03 0.00e+00 - 0 29 502 30 0
305 9.098 2.041 122.044 0 U 7.397e+03 0.00e+00 - 0 29 465 30 0
306 9.098 1.719 122.047 0 U 2.304e+03 0.00e+00 - 0 0 0 0 0
307 9.098 0.970 122.070 0 U 6.564e+03 0.00e+00 - 0 29 618 30 0
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309 8.776 9.082 126.319 0 U 3.307e+03 0.00e+00 - 0 0 0 0 0
310 8.768 5.111 126.394 0 U 9.647e+03 0.00e+00 - 0 0 0 0 0
311 8.766 4.888 126.389 0 U 1.963e+04 0.00e+00 - 0 13 426 14 0
312 8.790 4.777 126.227 0 U 2.548e+03 0.00e+00 - 0 15 428 16 0
313 8.790 4.558 126.195 0 U 2.121e+04 0.00e+00 - 0 15 427 16 0
314 8.767 3.073 126.395 0 U 8.647e+03 0.00e+00 - 0 13 508 14 0
315 8.788 2.207 126.207 0 U 2.055e+03 0.00e+00 - 0 15 638 16 0
316 8.788 1.954 126.207 0 U 9.758e+03 0.00e+00 - 0 0 0 0 0
317 8.774 1.764 126.359 0 U 3.358e+03 0.00e+00 - 0 0 0 0 0
318 8.766 1.499 126.398 0 U 3.391e+03 0.00e+00 - 0 13 635 14 0
319 8.789 0.868 126.201 0 U 6.475e+03 0.00e+00 - 0 15 619 16 0
320 9.115 8.943 126.472 0 U 5.147e+03 0.00e+00 - 0 11 39 12 0
321 9.116 8.524 126.467 0 U 1.969e+03 0.00e+00 - 0 0 0 0 0
322 9.117 6.768 126.481 0 U 1.066e+03 0.00e+00 - 0 11 652 12 0
323 9.115 5.055 126.479 0 U 2.693e+04 0.00e+00 - 0 11 425 12 0
324 9.115 4.581 126.469 0 U 4.517e+03 0.00e+00 - 0 11 424 12 0
326 9.117 2.540 126.494 0 U 1.972e+03 0.00e+00 - 0 0 0 0 0
327 9.114 2.207 126.488 0 U 2.114e+03 0.00e+00 - 0 11 638 12 0
328 9.116 1.963 126.454 0 U 4.230e+03 0.00e+00 - 0 0 0 0 0
329 9.115 1.560 126.470 0 U 9.407e+03 0.00e+00 - 0 11 463 12 0
330 9.115 1.199 126.462 0 U 9.483e+02 0.00e+00 - 0 11 657 12 0
331 9.114 0.913 126.483 0 U 1.966e+03 0.00e+00 - 0 11 663 12 0
332 9.115 0.511 126.480 0 U 7.702e+03 0.00e+00 - 0 11 626 12 0
333 9.116 0.336 126.476 0 U 2.731e+03 0.00e+00 - 0 11 628 12 0
334 9.265 8.456 127.248 0 U 3.920e+03 0.00e+00 - 0 9 27 10 0
335 9.264 4.581 127.250 0 U 2.940e+04 0.00e+00 - 0 9 424 10 0
336 9.264 2.647 127.257 0 U 2.531e+03 0.00e+00 - 0 9 501 10 0
337 9.263 2.097 127.239 0 U 3.884e+03 0.00e+00 - 0 9 639 10 0
338 9.264 1.953 127.263 0 U 7.168e+03 0.00e+00 - 0 0 0 0 0
339 9.264 1.776 127.245 0 U 7.413e+03 0.00e+00 - 0 9 497 10 0
340 9.264 1.508 127.250 0 U 4.334e+03 0.00e+00 - 0 0 0 0 0
341 9.262 0.913 127.270 0 U 2.567e+03 0.00e+00 - 0 9 600 10 0
342 9.263 0.515 127.266 0 U 2.968e+03 0.00e+00 - 0 9 626 10 0
343 9.264 0.332 127.250 0 U 7.520e+03 0.00e+00 - 0 9 628 10 0
344 7.320 1.950 111.582 0 U 2.374e+03 0.00e+00 - 0 0 0 0 0
345 8.764 7.362 126.396 0 U 2.389e+03 0.00e+00 - 0 13 77 14 0
346 8.766 3.528 126.394 0 U 4.335e+03 0.00e+00 - 0 13 493 14 0
347 8.764 1.275 126.459 0 U 1.117e+03 0.00e+00 - 0 0 0 0 0
348 8.765 0.334 126.332 0 U 2.293e+03 0.00e+00 - 0 13 628 14 0
349 9.088 8.513 117.851 0 U 5.624e+03 0.00e+00 - 0 55 59 56 0
350 9.089 7.368 117.887 0 U 1.073e+03 0.00e+00 - 0 55 77 56 0
351 9.087 5.106 117.844 0 U 1.784e+04 0.00e+00 - 0 55 446 56 0
352 9.087 3.527 117.848 0 U 1.425e+04 0.00e+00 - 0 55 493 56 0
353 9.087 3.072 117.857 0 U 7.477e+03 0.00e+00 - 0 55 508 56 0
354 9.086 2.654 117.917 0 U 1.161e+03 0.00e+00 - 0 55 501 56 0
355 9.087 1.485 117.857 0 U 9.350e+02 0.00e+00 - 0 55 635 56 0
356 8.520 9.082 117.514 0 U 5.536e+03 0.00e+00 - 0 59 55 60 0
357 8.520 7.363 117.521 0 U 2.137e+04 0.00e+00 - 0 59 77 60 0
358 8.521 5.115 117.546 0 U 1.495e+03 0.00e+00 - 0 59 446 60 0
359 8.520 4.708 117.520 0 U 8.408e+03 0.00e+00 - 0 59 457 60 0
360 8.521 4.386 117.533 0 U 1.392e+03 0.00e+00 - 0 59 430 60 0
361 8.520 4.010 117.524 0 U 1.625e+04 0.00e+00 - 0 0 0 0 0
362 8.520 3.527 117.509 0 U 4.097e+03 0.00e+00 - 0 59 493 60 0
363 8.520 3.071 117.527 0 U 3.773e+03 0.00e+00 - 0 59 508 60 0
364 8.520 2.742 117.517 0 U 1.207e+04 0.00e+00 - 0 0 0 0 0
365 8.518 0.904 117.486 0 U 1.864e+03 0.00e+00 - 0 59 643 60 0
366 7.368 9.080 114.010 0 U 1.083e+03 0.00e+00 - 0 77 55 78 0
367 7.371 8.760 114.009 0 U 3.238e+03 0.00e+00 - 0 77 13 78 0
368 7.370 8.513 114.022 0 U 2.041e+04 0.00e+00 - 0 77 59 78 0
369 7.370 8.086 114.041 0 U 2.091e+03 0.00e+00 - 0 77 21 78 0
370 7.370 7.720 114.012 0 U 3.517e+03 0.00e+00 - 0 0 0 0 0
371 7.370 5.106 113.960 0 U 1.236e+03 0.00e+00 - 0 77 438 78 0
372 7.371 4.707 114.025 0 U 3.715e+03 0.00e+00 - 0 77 457 78 0
373 7.370 4.384 114.013 0 U 9.136e+03 0.00e+00 - 0 77 430 78 0
374 7.370 3.913 114.026 0 U 8.314e+03 0.00e+00 - 0 77 466 78 0
375 7.369 3.528 114.016 0 U 3.602e+03 0.00e+00 - 0 77 493 78 0
376 7.370 3.074 114.023 0 U 6.452e+03 0.00e+00 - 0 77 508 78 0
377 7.370 2.743 114.014 0 U 3.098e+03 0.00e+00 - 0 0 0 0 0
378 7.370 0.898 114.018 0 U 5.721e+03 0.00e+00 - 0 77 643 78 0
379 8.093 8.938 123.338 0 U 1.681e+03 0.00e+00 - 0 21 39 22 0
380 8.091 5.121 123.339 0 U 8.295e+03 0.00e+00 - 0 21 438 22 0
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382 8.091 3.912 123.338 0 U 6.388e+03 0.00e+00 - 0 21 466 22 0
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384 8.091 0.899 123.349 0 U 7.579e+03 0.00e+00 - 0 21 643 22 0
385 8.944 6.771 120.837 0 U 4.546e+03 0.00e+00 - 0 39 652 40 0
386 8.944 5.120 120.838 0 U 2.552e+04 0.00e+00 - 0 39 438 40 0
387 8.945 4.909 120.844 0 U 6.074e+03 0.00e+00 - 0 0 0 0 0
388 8.943 2.991 120.831 0 U 3.242e+03 0.00e+00 - 0 39 491 40 0
389 8.944 2.540 120.828 0 U 4.864e+03 0.00e+00 - 0 39 506 40 0
390 8.945 1.676 120.832 0 U 4.435e+03 0.00e+00 - 0 39 470 40 0
391 8.944 1.558 120.846 0 U 6.095e+03 0.00e+00 - 0 0 0 0 0
392 8.944 1.256 120.859 0 U 3.049e+03 0.00e+00 - 0 39 649 40 0
393 8.942 0.915 120.837 0 U 1.539e+03 0.00e+00 - 0 0 0 0 0
394 8.946 0.514 120.822 0 U 1.577e+03 0.00e+00 - 0 39 626 40 0
395 8.945 0.328 120.834 0 U 1.764e+03 0.00e+00 - 0 39 628 40 0
396 8.755 6.772 118.860 0 U 2.137e+03 0.00e+00 - 0 49 652 50 0
397 8.754 4.920 118.876 0 U 3.009e+04 0.00e+00 - 0 49 443 50 0
398 8.754 3.964 118.878 0 U 1.329e+04 0.00e+00 - 0 49 460 50 0
399 8.754 2.985 118.862 0 U 7.090e+03 0.00e+00 - 0 49 491 50 0
400 8.754 2.538 118.882 0 U 5.713e+03 0.00e+00 - 0 49 506 50 0
401 8.755 1.591 118.848 0 U 1.671e+03 0.00e+00 - 0 49 662 50 0
402 8.755 1.193 118.861 0 U 3.909e+03 0.00e+00 - 0 49 657 50 0
403 8.754 0.936 118.865 0 U 2.849e+03 0.00e+00 - 0 49 663 50 0
404 9.244 8.732 129.289 0 U 1.847e+03 0.00e+00 - 0 0 0 0 0
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406 9.244 5.316 129.321 0 U 9.947e+02 0.00e+00 - 0 3 434 4 0
407 9.246 4.958 129.238 0 U 2.336e+04 0.00e+00 - 0 3 421 4 0
408 9.247 3.962 129.202 0 U 1.793e+03 0.00e+00 - 0 3 460 4 0
409 9.248 2.586 129.260 0 U 1.533e+03 0.00e+00 - 0 3 502 4 0
410 9.247 2.041 129.254 0 U 2.575e+03 0.00e+00 - 0 0 0 0 0
411 9.246 1.722 129.233 0 U 8.996e+03 0.00e+00 - 0 0 0 0 0
412 9.246 1.189 129.248 0 U 6.211e+03 0.00e+00 - 0 3 657 4 0
413 9.246 0.939 129.237 0 U 4.392e+03 0.00e+00 - 0 3 663 4 0
414 9.245 0.522 129.195 0 U 1.110e+03 0.00e+00 - 0 3 626 4 0
415 8.702 7.719 129.913 0 U 1.223e+03 0.00e+00 - 0 0 0 0 0
416 8.700 4.858 129.910 0 U 1.278e+04 0.00e+00 - 0 1 420 2 0
417 8.701 3.253 129.918 0 U 3.178e+03 0.00e+00 - 0 1 665 2 0
418 8.700 2.915 129.905 0 U 4.818e+03 0.00e+00 - 0 1 666 2 0
419 8.701 1.708 129.923 0 U 2.215e+03 0.00e+00 - 0 1 459 2 0
420 8.700 0.938 129.912 0 U 2.404e+03 0.00e+00 - 0 0 0 0 0
421 9.185 2.408 120.873 0 U 4.379e+02 0.00e+00 - 0 35 521 36 0
422 9.182 4.272 121.016 0 U 4.345e+02 0.00e+00 - 0 0 0 0 0
423 6.917 2.088 112.067 0 U 4.436e+02 0.00e+00 - 0 676 519 677 0
424 8.702 1.927 120.904 0 U 1.793e+03 0.00e+00 - 0 0 0 0 0
425 8.702 4.102 120.884 0 U 2.474e+03 0.00e+00 - 0 0 0 0 0
426 8.143 1.906 115.149 0 U 2.601e+03 0.00e+00 - 0 71 467 72 0
427 8.144 1.411 114.736 0 U 9.094e+02 0.00e+00 - 0 75 534 76 0
428 8.147 1.624 114.875 0 U 6.487e+02 0.00e+00 - 0 71 527 72 0
429 8.147 0.968 114.712 0 U 1.131e+03 0.00e+00 - 0 75 618 76 0
430 8.145 2.415 114.834 0 U 7.134e+02 0.00e+00 - 0 0 0 0 0
431 8.287 4.245 123.271 0 U 1.127e+04 0.00e+00 - 0 23 517 24 0
432 8.288 2.027 123.271 0 U 2.327e+03 0.00e+00 - 0 23 478 24 0
433 8.289 2.246 123.271 0 U 5.448e+02 0.00e+00 - 0 0 0 0 0
434 7.395 3.183 112.007 0 U 3.248e+03 0.00e+00 - 0 680 529 681 0
435 7.395 3.223 112.007 0 U 1.967e+03 0.00e+00 - 0 0 0 0 0
436 7.395 4.188 112.049 0 U 6.158e+02 0.00e+00 - 0 680 435 681 0
437 8.149 4.131 114.664 0 U 4.401e+03 0.00e+00 - 0 0 0 0 0
438 8.149 4.289 114.664 0 U 1.818e+04 0.00e+00 - 0 75 468 76 0
439 8.144 1.183 121.460 0 U 6.311e+02 0.00e+00 - 0 31 547 32 0
440 8.143 2.399 121.460 0 U 6.402e+02 0.00e+00 - 0 31 521 32 0
441 8.143 2.969 121.287 0 U 5.871e+02 0.00e+00 - 0 31 536 32 0
442 8.095 9.212 120.165 0 U 8.471e+02 0.00e+00 - 0 0 0 0 0
443 8.149 3.311 121.460 0 U 7.698e+02 0.00e+00 - 0 31 479 32 0
444 8.293 0.879 117.766 0 U 8.885e+02 0.00e+00 - 0 57 619 58 0
446 8.293 2.712 117.868 0 U 6.035e+02 0.00e+00 - 0 57 554 58 0
447 8.292 2.914 117.684 0 U 6.562e+02 0.00e+00 - 0 57 553 58 0
448 8.273 4.553 121.082 0 U 7.266e+02 0.00e+00 - 0 33 440 34 0
449 8.272 8.145 121.082 0 U 1.151e+04 0.00e+00 - 0 33 75 34 0
450 8.271 7.372 121.095 0 U 7.618e+02 0.00e+00 - 0 33 67 34 0
451 8.412 1.281 118.817 0 U 7.515e+02 0.00e+00 - 0 53 545 54 0
452 8.414 8.295 118.817 0 U 1.711e+04 0.00e+00 - 0 53 33 54 0
453 8.340 4.085 119.734 0 U 1.702e+03 0.00e+00 - 0 43 456 44 0
454 8.340 7.727 119.607 0 U 1.549e+03 0.00e+00 - 0 43 51 44 0
455 7.367 0.769 115.970 0 U 7.919e+02 0.00e+00 - 0 67 599 68 0
456 7.366 1.280 115.970 0 U 1.080e+03 0.00e+00 - 0 67 545 68 0
457 7.367 1.712 115.970 0 U 5.641e+03 0.00e+00 - 0 0 0 0 0
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460 7.369 7.149 115.979 0 U 4.034e+03 0.00e+00 - 0 0 0 0 0
461 7.367 7.969 115.979 0 U 2.012e+03 0.00e+00 - 0 67 47 68 0
462 7.743 8.339 118.817 0 U 1.629e+03 0.00e+00 - 0 51 43 52 0
463 7.974 8.098 119.248 0 U 3.994e+03 0.00e+00 - 0 0 0 0 0
464 7.103 1.739 119.302 0 U 2.830e+03 0.00e+00 - 0 45 586 46 0
465 7.103 4.076 119.184 0 U 1.224e+03 0.00e+00 - 0 45 444 46 0
466 7.103 7.854 119.184 0 U 5.966e+02 0.00e+00 - 0 45 63 46 0
467 8.824 3.411 115.012 0 U 9.748e+02 0.00e+00 - 0 73 486 74 0
468 8.825 2.647 115.012 0 U 6.552e+02 0.00e+00 - 0 73 501 74 0
469 7.851 7.097 117.231 0 U 1.312e+03 0.00e+00 - 0 63 45 64 0
470 7.851 7.315 117.231 0 U 6.864e+02 0.00e+00 - 0 63 588 64 0
471 8.461 1.952 122.215 0 U 2.913e+03 0.00e+00 - 0 27 482 28 0
472 8.460 7.849 122.215 0 U 1.537e+03 0.00e+00 - 0 27 63 28 0
473 8.460 8.814 122.215 0 U 3.194e+03 0.00e+00 - 0 27 5 28 0
475 8.822 3.980 127.980 0 U 9.009e+02 0.00e+00 - 0 5 452 6 0
476 8.823 8.456 128.071 0 U 1.759e+03 0.00e+00 - 0 5 27 6 0
477 8.826 9.200 128.014 0 U 1.097e+03 0.00e+00 - 0 5 7 6 0
478 8.826 9.237 128.014 0 U 1.107e+03 0.00e+00 - 0 0 0 0 0
479 9.219 1.497 127.867 0 U 2.000e+03 0.00e+00 - 0 7 610 8 0
480 9.219 2.088 127.867 0 U 1.727e+03 0.00e+00 - 0 7 639 8 0
481 7.304 1.490 112.080 0 U 2.928e+03 0.00e+00 - 0 682 610 683 0
482 7.304 1.583 112.080 0 U 2.266e+03 0.00e+00 - 0 682 611 683 0
483 7.304 1.756 112.080 0 U 1.271e+03 0.00e+00 - 0 682 499 683 0
484 7.304 1.887 112.080 0 U 1.503e+03 0.00e+00 - 0 682 484 683 0
485 7.305 2.110 112.080 0 U 6.497e+02 0.00e+00 - 0 682 596 683 0
486 7.305 3.147 112.080 0 U 9.680e+03 0.00e+00 - 0 682 609 683 0
487 9.123 8.775 123.853 0 U 6.226e+02 0.00e+00 - 0 19 15 20 0
488 8.628 1.739 124.770 0 U 6.980e+02 0.00e+00 - 0 17 526 18 0
489 8.626 1.913 124.833 0 U 6.536e+02 0.00e+00 - 0 17 467 18 0
490 8.627 5.430 124.896 0 U 5.758e+02 0.00e+00 - 0 0 0 0 0
491 8.616 1.190 115.149 0 U 9.350e+02 0.00e+00 - 0 69 547 70 0
492 8.616 2.807 115.149 0 U 8.101e+02 0.00e+00 - 0 69 616 70 0
493 8.618 7.997 115.149 0 U 1.346e+03 0.00e+00 - 0 69 79 70 0
494 7.684 2.527 117.489 0 U 7.145e+02 0.00e+00 - 0 61 500 62 0
495 7.683 4.136 117.489 0 U 7.124e+02 0.00e+00 - 0 61 453 62 0
496 8.218 4.154 116.314 0 U 6.452e+02 0.00e+00 - 0 65 453 66 0
497 8.229 7.666 116.314 0 U 1.531e+03 0.00e+00 - 0 65 61 66 0
498 8.229 8.618 116.314 0 U 2.054e+03 0.00e+00 - 0 0 0 0 0
499 8.226 9.086 116.314 0 U 1.241e+03 0.00e+00 - 0 65 29 66 0
500 9.096 0.870 122.107 0 U 1.834e+03 0.00e+00 - 0 29 619 30 0
501 9.096 4.765 122.107 0 U 8.070e+02 0.00e+00 - 0 29 428 30 0
502 9.096 8.213 122.107 0 U 6.934e+02 0.00e+00 - 0 29 65 30 0
503 9.096 9.229 122.107 0 U 4.796e+03 0.00e+00 - 0 29 3 30 0
504 9.106 8.786 122.000 0 U 1.455e+03 0.00e+00 - 0 29 15 30 0
505 9.115 2.070 126.530 0 U 2.865e+03 0.00e+00 - 0 11 639 12 0
506 9.115 8.775 126.530 0 U 2.312e+03 0.00e+00 - 0 11 15 12 0
507 9.260 0.765 127.285 0 U 9.568e+02 0.00e+00 - 0 9 599 10 0
508 9.265 3.407 127.172 0 U 1.280e+03 0.00e+00 - 0 9 486 10 0
509 9.262 5.103 127.172 0 U 1.002e+03 0.00e+00 - 0 0 0 0 0
510 9.262 8.772 127.172 0 U 1.437e+03 0.00e+00 - 0 9 13 10 0
511 7.369 1.520 114.063 0 U 5.829e+02 0.00e+00 - 0 77 635 78 0
512 7.369 1.741 114.063 0 U 6.994e+02 0.00e+00 - 0 77 644 78 0
513 7.369 4.031 114.063 0 U 1.320e+03 0.00e+00 - 0 77 640 78 0
514 8.093 6.770 123.332 0 U 9.222e+02 0.00e+00 - 0 21 652 22 0
515 8.093 7.368 123.332 0 U 1.850e+03 0.00e+00 - 0 21 77 22 0
516 8.093 8.754 123.332 0 U 8.336e+02 0.00e+00 - 0 21 13 22 0
517 8.943 4.566 120.920 0 U 8.341e+02 0.00e+00 - 0 39 424 40 0
518 8.943 8.456 120.920 0 U 1.571e+03 0.00e+00 - 0 0 0 0 0
519 8.943 8.078 120.920 0 U 1.294e+03 0.00e+00 - 0 39 21 40 0
520 8.755 9.234 118.856 0 U 1.975e+03 0.00e+00 - 0 49 3 50 0
521 8.696 1.188 129.955 0 U 7.356e+02 0.00e+00 - 0 1 657 2 0
522 8.704 9.254 129.968 0 U 1.134e+03 0.00e+00 - 0 1 3 2 0
523 8.272 2.296 121.082 0 U 4.083e+03 0.00e+00 - 0 33 551 34 0
524 8.414 0.957 118.713 0 U 1.025e+03 0.00e+00 - 0 0 0 0 0
525 8.420 1.533 118.713 0 U 8.969e+02 0.00e+00 - 0 53 541 54 0
526 8.417 3.311 118.713 0 U 7.437e+02 0.00e+00 - 0 53 479 54 0
527 8.414 4.037 118.749 0 U 4.134e+03 0.00e+00 - 0 53 445 54 0
528 8.414 4.110 118.749 0 U 3.070e+03 0.00e+00 - 0 53 456 54 0
529 8.339 1.896 119.634 0 U 2.041e+04 0.00e+00 - 0 0 0 0 0
530 8.339 1.963 119.634 0 U 1.806e+04 0.00e+00 - 0 43 606 44 0
531 7.369 3.973 115.979 0 U 6.713e+03 0.00e+00 - 0 67 452 68 0
532 7.740 1.362 118.925 0 U 1.211e+03 0.00e+00 - 0 51 577 52 0
533 7.976 4.043 119.169 0 U 1.558e+03 0.00e+00 - 0 0 0 0 0
534 7.976 4.208 119.169 0 U 7.643e+02 0.00e+00 - 0 47 455 48 0
535 7.976 3.411 119.169 0 U 7.909e+02 0.00e+00 - 0 47 486 48 0
536 7.976 7.222 119.169 0 U 1.206e+03 0.00e+00 - 0 47 590 48 0
537 8.825 6.988 114.987 0 U 2.958e+02 0.00e+00 - 0 73 604 74 0
538 6.988 4.883 112.945 0 U 6.191e+02 0.00e+00 - 0 604 450 603 0
539 6.991 8.825 112.944 0 U 8.542e+02 0.00e+00 - 0 604 73 603 0
540 7.852 2.752 117.191 0 U 1.541e+03 0.00e+00 - 0 63 504 64 0
541 8.462 5.092 122.152 0 U 3.178e+03 0.00e+00 - 0 27 446 28 0
542 9.220 4.704 127.946 0 U 3.998e+03 0.00e+00 - 0 7 429 8 0
543 9.224 0.341 127.828 0 U 9.159e+02 0.00e+00 - 0 7 628 8 0
544 9.127 1.583 123.915 0 U 1.534e+03 0.00e+00 - 0 19 611 20 0
545 9.127 0.765 123.896 0 U 1.025e+03 0.00e+00 - 0 19 599 20 0
546 8.628 1.180 124.861 0 U 8.767e+02 0.00e+00 - 0 17 547 18 0
547 8.616 2.718 114.973 0 U 5.336e+02 0.00e+00 - 0 0 0 0 0
548 7.685 2.766 117.477 0 U 3.527e+03 0.00e+00 - 0 61 615 62 0
549 7.685 2.823 117.477 0 U 3.238e+03 0.00e+00 - 0 61 616 62 0
550 7.682 6.690 117.436 0 U 7.849e+02 0.00e+00 - 0 61 673 62 0
551 8.011 4.290 113.437 0 U 7.307e+02 0.00e+00 - 0 0 0 0 0
552 8.006 7.279 113.437 0 U 4.521e+02 0.00e+00 - 0 79 670 80 0
553 8.228 0.981 116.364 0 U 9.832e+02 0.00e+00 - 0 65 618 66 0
554 8.229 4.934 116.358 0 U 1.114e+03 0.00e+00 - 0 65 667 66 0
555 8.229 4.623 116.358 0 U 9.799e+02 0.00e+00 - 0 0 0 0 0
556 8.228 8.777 116.370 0 U 1.187e+03 0.00e+00 - 0 65 25 66 0
557 9.098 1.196 122.045 0 U 1.465e+03 0.00e+00 - 0 0 0 0 0
558 8.788 0.514 126.214 0 U 1.097e+03 0.00e+00 - 0 15 626 16 0
559 8.788 0.966 126.214 0 U 2.298e+03 0.00e+00 - 0 15 618 16 0
560 8.788 0.764 126.214 0 U 1.106e+03 0.00e+00 - 0 15 599 16 0
561 8.788 1.195 126.214 0 U 6.574e+02 0.00e+00 - 0 0 0 0 0
562 8.787 5.063 126.235 0 U 3.186e+03 0.00e+00 - 0 15 425 16 0
563 8.787 9.097 126.235 0 U 1.595e+03 0.00e+00 - 0 0 0 0 0
564 8.794 7.672 126.207 0 U 1.559e+03 0.00e+00 - 0 0 0 0 0
565 8.788 2.547 126.214 0 U 5.317e+02 0.00e+00 - 0 0 0 0 0
566 9.110 1.263 126.530 0 U 5.010e+02 0.00e+00 - 0 11 649 12 0
568 9.264 4.880 127.249 0 U 3.587e+03 0.00e+00 - 0 9 426 10 0
569 9.264 4.805 127.249 0 U 2.581e+03 0.00e+00 - 0 9 423 10 0
570 9.264 3.141 127.249 0 U 1.043e+03 0.00e+00 - 0 0 0 0 0
571 7.321 1.763 111.656 0 U 1.973e+03 0.00e+00 - 0 0 0 0 0
572 7.317 3.157 111.586 0 U 1.182e+04 0.00e+00 - 0 0 0 0 0
573 8.766 9.245 126.422 0 U 1.318e+03 0.00e+00 - 0 13 9 14 0
574 8.769 3.917 126.339 0 U 1.029e+03 0.00e+00 - 0 13 466 14 0
575 8.772 2.631 126.299 0 U 1.110e+03 0.00e+00 - 0 13 501 14 0
577 9.086 8.763 117.865 0 U 2.156e+03 0.00e+00 - 0 55 13 56 0
578 9.087 4.006 117.865 0 U 1.257e+04 0.00e+00 - 0 0 0 0 0
579 8.520 1.451 117.440 0 U 6.042e+02 0.00e+00 - 0 0 0 0 0
580 7.370 4.880 113.958 0 U 7.527e+02 0.00e+00 - 0 77 426 78 0
581 8.092 1.745 123.337 0 U 7.315e+03 0.00e+00 - 0 21 644 22 0
582 8.092 1.664 123.337 0 U 7.027e+03 0.00e+00 - 0 21 470 22 0
583 8.092 1.561 123.337 0 U 1.254e+03 0.00e+00 - 0 21 650 22 0
584 8.091 2.857 123.265 0 U 4.314e+02 0.00e+00 - 0 21 651 22 0
585 8.945 1.770 120.817 0 U 2.460e+03 0.00e+00 - 0 39 644 40 0
587 9.246 4.848 129.238 0 U 2.865e+03 0.00e+00 - 0 3 420 4 0
588 9.246 1.623 129.238 0 U 4.528e+03 0.00e+00 - 0 3 662 4 0
589 9.246 4.554 129.238 0 U 9.009e+02 0.00e+00 - 0 3 427 4 0
590 9.246 3.248 129.238 0 U 7.226e+02 0.00e+00 - 0 0 0 0 0
591 8.703 1.642 129.955 0 U 6.507e+02 0.00e+00 - 0 1 662 2 0
592 8.703 4.949 129.955 0 U 3.964e+03 0.00e+00 - 0 1 667 2 0
593 9.244 9.103 129.282 0 U 5.448e+03 0.00e+00 - 0 0 0 0 0
594 9.191 2.090 121.107 0 U 5.011e+02 0.00e+00 - 0 35 519 36 0
595 7.978 2.397 119.084 0 U 6.874e+02 0.00e+00 - 0 47 488 48 0
596 8.461 2.053 122.139 0 U 1.044e+04 0.00e+00 - 0 27 601 28 0
597 8.461 2.127 122.139 0 U 1.413e+04 0.00e+00 - 0 27 461 28 0
598 9.220 1.879 127.913 0 U 5.663e+03 0.00e+00 - 0 7 484 8 0
599 9.220 1.952 127.913 0 U 4.249e+03 0.00e+00 - 0 0 0 0 0
600 6.694 4.655 111.558 0 U 9.108e+02 0.00e+00 - 0 673 458 674 0
601 8.787 2.053 126.235 0 U 4.380e+03 0.00e+00 - 0 15 465 16 0
602 9.087 4.087 117.849 0 U 1.781e+04 0.00e+00 - 0 55 448 56 0
603 8.519 4.096 117.576 0 U 5.575e+03 0.00e+00 - 0 59 448 60 0
604 8.942 6.622 120.899 0 U 9.744e+02 0.00e+00 - 0 39 654 40 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 . . 11 ppm . . . 4.7 . . 30312 3
2 . . H 1 H . . 11 ppm . . . 4.7 . . 30312 3
3 . . N 15 N . folded 27.6 ppm . . . 119.0 . . 30312 3
stop_
save_