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 36493
_Spectral_peak_list.ID 1
_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 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 2
_Spectral_peak_list.Experiment_name '15N-sperated 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 XEASY
_Spectral_peak_list.Text_data
;
# Number of dimensions 3
#FORMAT xeasy3D
#INAME 1 H
#INAME 2 N
#INAME 3 HN
#SPECTRUM N15NOESY H N HN
1 4.698 120.238 7.394 1 U 2.184E+04 0.000E+00 e 0 0 531 532
2 4.540 120.246 7.392 1 U 7.415E+04 0.000E+00 e 0 0 531 532
3 4.445 120.241 7.391 1 U 6.307E+04 0.000E+00 e 0 0 531 532
4 3.948 120.250 7.380 1 U 1.760E+04 0.000E+00 e 0 0 531 532
5 2.744 120.245 7.392 1 U 1.008E+05 0.000E+00 e 0 0 531 532
6 2.641 120.257 7.392 1 U 1.121E+05 0.000E+00 e 0 0 531 532
7 1.028 120.253 7.397 1 U 1.669E+04 0.000E+00 e 0 0 531 532
8 0.737 120.254 7.392 1 U 1.364E+05 0.000E+00 e 0 0 531 532
9 9.038 120.244 7.392 1 U 2.475E+05 0.000E+00 e 0 0 531 532
10 8.499 120.276 7.392 1 U 4.330E+04 0.000E+00 e 0 0 531 532
11 5.282 120.246 7.392 1 U 1.634E+04 0.000E+00 e 0 0 531 532
12 4.698 117.742 9.139 1 U 1.690E+05 0.000E+00 e 0 0 734 735
13 4.243 117.738 9.140 1 U 7.099E+04 0.000E+00 e 0 0 734 735
14 3.871 117.742 9.132 1 U 3.055E+04 0.000E+00 e 0 0 734 735
15 3.623 117.746 9.140 1 U 5.793E+04 0.000E+00 e 0 0 734 735
16 4.407 127.021 8.649 1 U 3.484E+04 0.000E+00 e 0 0 119 120
17 4.202 127.023 8.652 1 U 5.210E+04 0.000E+00 e 0 0 119 120
18 1.856 127.028 8.653 1 U 1.026E+05 0.000E+00 e 0 0 119 120
19 1.326 127.013 8.652 1 U 2.051E+05 0.000E+00 e 0 0 119 120
20 0.318 127.009 8.652 1 U 1.876E+04 0.000E+00 e 0 0 119 120
21 2.113 126.917 8.647 1 U 6.030E+03 0.000E+00 e 0 0 119 120
22 1.448 126.925 8.651 1 U 1.915E+04 0.000E+00 e 0 0 119 120
23 -0.764 127.034 8.653 1 U 2.190E+04 0.000E+00 e 0 479 119 120
24 9.752 127.045 8.653 1 U 3.352E+03 0.000E+00 e 0 0 119 120
25 9.497 127.019 8.650 1 U 1.403E+04 0.000E+00 e 0 0 119 120
26 7.288 127.059 8.643 1 U 6.303E+03 0.000E+00 e 0 0 119 120
27 5.283 126.985 8.650 1 U 2.006E+04 0.000E+00 e 0 0 119 120
28 5.192 127.011 8.654 1 U 3.339E+05 0.000E+00 e 0 0 119 120
29 4.407 120.569 7.961 1 U 3.526E+05 0.000E+00 e 0 0 446 447
30 2.734 120.571 7.961 1 U 2.409E+04 0.000E+00 e 0 0 446 447
31 2.280 120.564 7.961 1 U 5.683E+04 0.000E+00 e 0 0 446 447
32 1.611 120.570 7.962 1 U 1.664E+05 0.000E+00 e 0 0 446 447
33 0.442 120.576 7.956 1 U 2.635E+04 0.000E+00 e 0 0 446 447
34 0.257 120.565 7.960 1 U 1.058E+05 0.000E+00 e 0 0 446 447
35 0.146 120.587 7.960 1 U -1.099E+03 0.000E+00 e 0 0 446 447
36 0.068 120.568 7.965 1 U 6.401E+03 0.000E+00 e 0 0 446 447
37 4.380 120.573 9.457 1 U 1.604E+04 0.000E+00 e 0 0 100 101
38 4.200 120.564 9.456 1 U 1.472E+04 0.000E+00 e 0 0 100 101
39 2.452 120.560 9.467 1 U 3.347E+04 0.000E+00 e 0 0 100 101
40 1.996 120.568 9.464 1 U 1.251E+05 0.000E+00 e 0 0 100 101
41 1.827 120.566 9.461 1 U 8.008E+04 0.000E+00 e 0 0 100 101
42 1.740 120.564 9.467 1 U 4.077E+04 0.000E+00 e 0 0 100 101
43 1.654 120.575 9.472 1 U 7.942E+03 0.000E+00 e 0 0 100 101
44 1.486 120.564 9.459 1 U 2.731E+04 0.000E+00 e 0 0 100 101
45 1.147 120.564 9.462 1 U 3.956E+04 0.000E+00 e 0 0 100 101
46 0.907 120.567 9.468 1 U 3.880E+04 0.000E+00 e 0 0 100 101
47 0.639 120.564 9.463 1 U 2.608E+04 0.000E+00 e 0 0 100 101
48 0.319 120.561 9.453 1 U 1.271E+04 0.000E+00 e 0 0 100 101
49 8.416 120.567 9.462 1 U 7.411E+04 0.000E+00 e 0 0 100 101
50 5.223 120.558 9.462 1 U 4.039E+04 0.000E+00 e 0 0 100 101
51 5.174 120.575 9.464 1 U 4.331E+04 0.000E+00 e 0 0 100 101
52 5.076 120.558 9.464 1 U 9.573E+03 0.000E+00 e 0 0 100 101
53 4.981 120.570 9.464 1 U 1.681E+05 0.000E+00 e 0 0 100 101
54 1.738 112.261 7.416 1 U 8.701E+03 0.000E+00 e 0 0 0 0
55 4.700 112.112 7.427 1 U 3.273E+04 0.000E+00 e 0 0 0 0
56 4.410 112.118 7.424 1 U 1.406E+04 0.000E+00 e 0 0 0 0
57 3.404 112.121 7.425 1 U 3.669E+04 0.000E+00 e 0 0 0 0
58 1.839 112.116 7.426 1 U 9.022E+04 0.000E+00 e 0 0 0 0
59 1.487 112.132 7.430 1 U 9.619E+03 0.000E+00 e 0 0 0 0
60 0.272 112.101 7.426 1 U 2.608E+04 0.000E+00 e 0 0 0 0
61 7.423 112.111 7.426 1 U 1.395E+06 0.000E+00 e 0 0 0 0
62 6.890 112.111 7.426 1 U 8.018E+05 0.000E+00 e 0 0 0 0
63 6.786 112.110 7.426 1 U 4.001E+04 0.000E+00 e 0 0 0 0
64 6.697 112.116 7.425 1 U -3.529E+02 0.000E+00 e 0 0 0 0
65 6.618 112.114 7.425 1 U 6.226E+03 0.000E+00 e 0 0 0 0
66 7.537 112.905 6.860 1 U 1.240E+04 0.000E+00 e 0 0 0 0
67 4.699 112.798 7.543 1 U 8.765E+04 0.000E+00 e 0 0 0 0
68 2.360 112.787 7.541 1 U 3.109E+04 0.000E+00 e 0 0 0 0
69 7.540 112.818 7.541 1 U 1.549E+06 0.000E+00 e 0 0 0 0
70 6.826 112.787 7.541 1 U 4.831E+04 0.000E+00 e 0 0 0 0
71 6.709 112.802 7.541 1 U 8.100E+05 0.000E+00 e 0 0 0 0
72 4.698 122.504 7.640 1 U 3.114E+05 0.000E+00 e 0 0 1011 1012
73 4.450 122.496 7.638 1 U 7.468E+04 0.000E+00 e 0 0 1011 1012
74 3.980 122.492 7.642 1 U 1.894E+04 0.000E+00 e 0 0 1011 1012
75 3.700 122.505 7.642 1 U 1.714E+04 0.000E+00 e 0 0 1011 1012
76 4.621 120.410 8.938 1 U 7.421E+04 0.000E+00 e 0 0 400 401
77 3.238 120.400 8.932 1 U 5.716E+04 0.000E+00 e 0 0 400 401
78 3.107 120.406 8.940 1 U 2.809E+04 0.000E+00 e 0 0 400 401
79 1.779 120.396 8.937 1 U 6.255E+04 0.000E+00 e 0 0 400 401
80 1.576 120.407 8.936 1 U 1.226E+05 0.000E+00 e 0 0 400 401
81 1.437 120.411 8.935 1 U 1.050E+05 0.000E+00 e 0 0 400 401
82 1.321 120.400 8.936 1 U 8.810E+04 0.000E+00 e 0 0 400 401
83 5.006 120.398 8.934 1 U 1.686E+05 0.000E+00 e 0 0 400 401
84 4.698 111.998 6.831 1 U 3.145E+05 0.000E+00 e 0 0 0 0
85 2.863 111.964 6.829 1 U 1.382E+04 0.000E+00 e 0 0 0 0
86 7.872 112.100 6.832 1 U 9.778E+02 0.000E+00 e 0 0 0 0
87 6.663 112.069 6.834 1 U 3.682E+03 0.000E+00 e 0 0 0 0
88 7.619 111.977 6.831 1 U 1.829E+04 0.000E+00 e 0 0 0 0
89 7.514 111.990 6.830 1 U 2.465E+05 0.000E+00 e 0 0 0 0
90 7.414 111.973 6.832 1 U 3.213E+04 0.000E+00 e 0 0 0 0
91 6.831 111.987 6.831 1 U 7.612E+05 0.000E+00 e 0 0 0 0
92 6.749 112.004 6.832 1 U 8.249E+04 0.000E+00 e 0 0 0 0
93 4.698 111.146 6.569 1 U 3.239E+04 0.000E+00 e 0 0 0 0
94 0.895 111.139 6.570 1 U 1.220E+04 0.000E+00 e 0 0 0 0
95 8.911 111.142 6.570 1 U -8.686E+02 0.000E+00 e 0 0 0 0
96 7.232 111.147 6.569 1 U 9.681E+05 0.000E+00 e 0 0 0 0
97 7.120 111.149 6.568 1 U 3.196E+04 0.000E+00 e 0 0 0 0
98 6.660 111.146 6.569 1 U 1.280E+05 0.000E+00 e 0 0 0 0
99 6.573 111.149 6.570 1 U 1.491E+06 0.000E+00 e 0 0 0 0
100 5.370 111.131 6.572 1 U -1.139E+03 0.000E+00 e 0 0 0 0
101 5.197 111.138 6.567 1 U -3.399E+01 0.000E+00 e 0 0 0 0
102 5.118 111.136 6.567 1 U 1.359E+03 0.000E+00 e 0 0 0 0
103 4.424 114.869 8.747 1 U 5.551E+04 0.000E+00 e 0 0 426 427
104 3.404 114.870 8.741 1 U 1.289E+05 0.000E+00 e 0 0 426 427
105 3.237 114.868 8.743 1 U 2.841E+05 0.000E+00 e 0 0 426 427
106 1.442 114.864 8.747 1 U 1.363E+04 0.000E+00 e 0 0 426 427
107 1.324 114.873 8.741 1 U 1.259E+05 0.000E+00 e 0 0 426 427
108 8.421 114.871 8.741 1 U 5.621E+04 0.000E+00 e 0 0 426 427
109 2.238 117.739 8.397 1 U 1.419E+04 0.000E+00 e 0 0 175 176
110 4.782 117.674 8.394 1 U 1.319E+05 0.000E+00 e 0 0 175 176
111 4.615 117.642 8.399 1 U 3.537E+04 0.000E+00 e 0 0 175 176
112 3.158 117.706 8.398 1 U 8.987E+04 0.000E+00 e 0 0 175 176
113 2.573 117.680 8.398 1 U 1.185E+05 0.000E+00 e 0 0 175 176
114 0.735 117.631 8.399 1 U 7.370E+03 0.000E+00 e 0 0 175 176
115 5.034 117.633 8.397 1 U 8.873E+03 0.000E+00 e 0 0 175 176
116 4.412 123.467 8.411 1 U 1.150E+05 0.000E+00 e 0 0 433 434
117 3.401 123.488 8.411 1 U 2.707E+04 0.000E+00 e 0 0 433 434
118 3.239 123.480 8.408 1 U 3.410E+04 0.000E+00 e 0 0 433 434
119 2.735 123.480 8.411 1 U 1.444E+05 0.000E+00 e 0 0 433 434
120 2.282 123.460 8.416 1 U 5.383E+04 0.000E+00 e 0 0 433 434
121 1.328 123.463 8.411 1 U 1.286E+05 0.000E+00 e 0 0 433 434
122 4.698 125.254 7.760 1 U 1.031E+05 0.000E+00 e 0 0 994 995
123 4.555 125.245 7.763 1 U 2.067E+04 0.000E+00 e 0 0 994 995
124 1.529 129.504 9.268 1 U 5.495E+03 0.000E+00 e 0 0 499 500
125 4.698 129.345 9.278 1 U 1.138E+04 0.000E+00 e 0 0 499 500
126 4.574 129.323 9.270 1 U 2.325E+05 0.000E+00 e 0 0 499 500
127 4.430 129.327 9.265 1 U 4.152E+04 0.000E+00 e 0 0 499 500
128 2.067 129.324 9.271 1 U 1.429E+05 0.000E+00 e 0 0 499 500
129 1.947 129.331 9.270 1 U 1.762E+04 0.000E+00 e 0 0 499 500
130 1.780 129.335 9.270 1 U 5.026E+03 0.000E+00 e 0 0 499 500
131 1.444 129.339 9.271 1 U 6.070E+03 0.000E+00 e 0 0 499 500
132 1.190 129.326 9.271 1 U 1.166E+05 0.000E+00 e 0 0 499 500
133 1.014 129.344 9.270 1 U 6.684E+04 0.000E+00 e 0 0 499 500
134 0.735 129.297 9.270 1 U 3.489E+04 0.000E+00 e 0 0 499 500
135 0.281 129.324 9.275 1 U 4.181E+03 0.000E+00 e 0 0 499 500
136 -0.305 129.315 9.277 1 U 1.630E+03 0.000E+00 e 0 0 499 500
137 8.415 129.323 9.269 1 U 1.187E+04 0.000E+00 e 0 0 499 500
138 5.323 129.306 9.269 1 U 2.367E+04 0.000E+00 e 0 0 499 500
139 4.740 126.232 8.245 1 U 2.259E+05 0.000E+00 e 0 0 650 651
140 3.580 126.237 8.239 1 U 1.700E+04 0.000E+00 e 0 0 650 651
141 2.786 126.230 8.244 1 U 6.985E+04 0.000E+00 e 0 0 650 651
142 1.951 126.228 8.249 1 U 1.023E+05 0.000E+00 e 0 0 650 651
143 -0.265 126.241 8.251 1 U 1.062E+04 0.000E+00 e 0 0 650 651
144 8.851 126.198 8.243 1 U 3.994E+04 0.000E+00 e 0 0 650 651
145 7.489 126.266 8.243 1 U 1.500E+04 0.000E+00 e 0 0 650 651
146 7.120 126.237 8.236 1 U 1.656E+04 0.000E+00 e 0 0 650 651
147 6.993 126.243 8.244 1 U 1.180E+04 0.000E+00 e 0 0 650 651
148 5.110 126.248 8.240 1 U 3.563E+04 0.000E+00 e 0 0 650 651
149 4.836 128.977 7.826 1 U 2.452E+04 0.000E+00 e 0 0 0 0
150 7.911 129.005 7.822 1 U 1.702E+04 0.000E+00 e 0 0 0 0
151 7.826 128.992 7.824 1 U 1.520E+05 0.000E+00 e 0 0 0 0
152 4.698 122.127 8.643 1 U 3.103E+05 0.000E+00 e 0 0 24 25
153 4.268 122.147 8.643 1 U 9.696E+04 0.000E+00 e 0 0 24 25
154 2.159 122.149 8.646 1 U 1.708E+04 0.000E+00 e 0 0 24 25
155 1.848 122.175 8.642 1 U 5.338E+04 0.000E+00 e 0 0 24 25
156 7.457 122.169 8.640 1 U 4.316E+03 0.000E+00 e 0 0 24 25
157 3.922 120.230 7.350 1 U 3.354E+04 0.000E+00 e 0 0 299 300
158 4.698 120.102 7.358 1 U 3.924E+04 0.000E+00 e 0 0 299 300
159 4.172 120.107 7.355 1 U 5.354E+04 0.000E+00 e 0 0 299 300
160 2.292 120.088 7.357 1 U 1.861E+05 0.000E+00 e 0 0 299 300
161 4.994 120.093 7.357 1 U 4.756E+04 0.000E+00 e 0 0 299 300
162 4.156 113.398 8.473 1 U 1.993E+04 0.000E+00 e 0 0 611 612
163 2.310 113.400 8.484 1 U 3.239E+04 0.000E+00 e 0 0 611 612
164 2.247 113.413 8.487 1 U 1.810E+04 0.000E+00 e 0 0 611 612
165 1.941 113.357 8.477 1 U 4.246E+04 0.000E+00 e 0 0 611 612
166 1.912 113.385 8.488 1 U 2.453E+04 0.000E+00 e 0 0 611 612
167 4.700 113.311 8.472 1 U 6.403E+04 0.000E+00 e 0 0 611 612
168 4.571 113.286 8.469 1 U 4.708E+04 0.000E+00 e 0 0 611 612
169 2.739 113.314 8.470 1 U 1.112E+05 0.000E+00 e 0 0 611 612
170 7.119 113.359 8.478 1 U 1.371E+04 0.000E+00 e 0 0 611 612
171 7.036 113.257 8.480 1 U 5.963E+03 0.000E+00 e 0 0 611 612
172 4.197 127.212 9.237 1 U 6.692E+04 0.000E+00 e 0 0 316 317
173 4.124 127.194 9.230 1 U 2.968E+04 0.000E+00 e 0 0 316 317
174 3.237 127.213 9.233 1 U 1.182E+04 0.000E+00 e 0 0 316 317
175 2.289 127.207 9.231 1 U 6.296E+04 0.000E+00 e 0 0 316 317
176 1.906 127.198 9.235 1 U 1.052E+05 0.000E+00 e 0 0 316 317
177 1.487 127.210 9.229 1 U 1.312E+04 0.000E+00 e 0 0 316 317
178 1.066 127.213 9.236 1 U 1.044E+05 0.000E+00 e 0 0 316 317
179 0.779 127.191 9.243 1 U 1.077E+04 0.000E+00 e 0 0 316 317
180 0.690 127.205 9.237 1 U 1.428E+04 0.000E+00 e 0 0 316 317
181 8.371 127.174 9.234 1 U 3.805E+04 0.000E+00 e 0 0 316 317
182 7.359 127.203 9.229 1 U 2.752E+04 0.000E+00 e 0 0 316 317
183 7.334 127.188 9.244 1 U 2.301E+04 0.000E+00 e 0 0 316 317
184 4.992 127.195 9.235 1 U 2.050E+05 0.000E+00 e 0 0 316 317
185 4.204 126.347 9.459 1 U 2.394E+05 0.000E+00 e 0 0 129 130
186 3.872 126.345 9.457 1 U 4.585E+04 0.000E+00 e 0 0 129 130
187 0.868 126.359 9.458 1 U 9.141E+04 0.000E+00 e 0 0 129 130
188 0.608 126.359 9.457 1 U 3.802E+04 0.000E+00 e 0 0 129 130
189 0.449 126.336 9.457 1 U 3.742E+04 0.000E+00 e 0 0 129 130
190 0.319 126.370 9.458 1 U 2.771E+04 0.000E+00 e 0 0 129 130
191 1.325 126.319 9.457 1 U 4.008E+04 0.000E+00 e 0 0 129 130
192 1.142 126.321 9.459 1 U 7.725E+04 0.000E+00 e 0 0 129 130
193 9.459 126.340 9.458 1 U 8.178E+05 0.000E+00 e 0 0 129 130
194 9.377 126.370 9.459 1 U 9.912E+04 0.000E+00 e 0 0 129 130
195 6.955 126.369 9.459 1 U 9.514E+04 0.000E+00 e 0 0 129 130
196 6.870 126.376 9.454 1 U 1.037E+04 0.000E+00 e 0 0 129 130
197 5.245 126.310 9.456 1 U 8.909E+04 0.000E+00 e 0 0 129 130
198 4.408 116.673 8.930 1 U 1.356E+04 0.000E+00 e 0 0 696 697
199 4.109 116.679 8.929 1 U 4.368E+04 0.000E+00 e 0 0 696 697
200 3.922 116.680 8.931 1 U 1.199E+05 0.000E+00 e 0 0 696 697
201 2.161 116.662 8.937 1 U 4.855E+04 0.000E+00 e 0 0 696 697
202 2.069 116.667 8.942 1 U 2.039E+04 0.000E+00 e 0 0 696 697
203 1.856 116.680 8.929 1 U 3.062E+04 0.000E+00 e 0 0 696 697
204 1.027 116.666 8.924 1 U 2.671E+04 0.000E+00 e 0 0 696 697
205 0.316 116.697 8.932 1 U 7.855E+04 0.000E+00 e 0 0 696 697
206 5.458 116.767 8.929 1 U 5.057E+04 0.000E+00 e 0 0 696 697
207 5.281 116.708 8.934 1 U 1.243E+05 0.000E+00 e 0 0 696 697
208 4.700 114.826 8.402 1 U 8.375E+03 0.000E+00 e 0 0 940 941
209 3.893 114.707 8.410 1 U 3.238E+04 0.000E+00 e 0 0 940 941
210 2.447 114.709 8.398 1 U 5.959E+03 0.000E+00 e 0 0 940 941
211 1.988 114.723 8.407 1 U 4.725E+04 0.000E+00 e 0 0 940 941
212 1.861 114.709 8.411 1 U 1.841E+04 0.000E+00 e 0 0 940 941
213 1.741 114.720 8.408 1 U 1.603E+05 0.000E+00 e 0 0 940 941
214 1.237 114.712 8.405 1 U 3.798E+03 0.000E+00 e 0 0 940 941
215 1.148 114.711 8.413 1 U 1.204E+05 0.000E+00 e 0 0 940 941
216 0.904 114.701 8.408 1 U 3.451E+04 0.000E+00 e 0 0 940 941
217 0.605 114.728 8.404 1 U 1.806E+04 0.000E+00 e 0 0 940 941
218 0.319 114.702 8.413 1 U 1.419E+04 0.000E+00 e 0 0 940 941
219 9.461 114.715 8.407 1 U 7.744E+04 0.000E+00 e 0 0 940 941
220 7.205 114.711 8.410 1 U 7.543E+03 0.000E+00 e 0 0 940 941
221 5.244 114.713 8.408 1 U 1.988E+05 0.000E+00 e 0 0 940 941
222 5.163 114.712 8.407 1 U 7.825E+04 0.000E+00 e 0 0 940 941
223 2.820 123.827 8.773 1 U 2.090E+04 0.000E+00 e 0 0 0 0
224 8.784 123.849 8.776 1 U 1.799E+05 0.000E+00 e 0 0 0 0
225 4.699 112.805 6.713 1 U 7.074E+04 0.000E+00 e 0 0 0 0
226 9.247 112.897 6.708 1 U 2.897E+03 0.000E+00 e 0 0 0 0
227 7.660 112.785 6.710 1 U 3.428E+04 0.000E+00 e 0 0 0 0
228 7.541 112.802 6.712 1 U 7.820E+05 0.000E+00 e 0 0 0 0
229 7.454 112.810 6.713 1 U 8.140E+04 0.000E+00 e 0 0 0 0
230 6.708 112.806 6.711 1 U 1.761E+06 0.000E+00 e 0 0 0 0
231 5.535 112.776 6.716 1 U -9.081E+02 0.000E+00 e 0 0 0 0
232 5.367 112.771 6.715 1 U 2.184E+03 0.000E+00 e 0 0 0 0
233 5.198 112.771 6.715 1 U -5.250E+03 0.000E+00 e 0 0 0 0
234 4.700 111.964 8.742 1 U 9.906E+03 0.000E+00 e 0 0 0 293
235 0.693 117.768 8.248 1 U 1.122E+04 0.000E+00 e 0 0 570 571
236 4.698 117.694 8.249 1 U 1.713E+05 0.000E+00 e 0 0 570 571
237 4.571 117.664 8.246 1 U 1.283E+04 0.000E+00 e 0 0 570 571
238 4.125 117.711 8.248 1 U 7.700E+04 0.000E+00 e 0 0 570 571
239 3.983 117.675 8.248 1 U 8.065E+04 0.000E+00 e 0 0 570 571
240 3.862 117.696 8.250 1 U 1.327E+05 0.000E+00 e 0 0 570 571
241 8.706 117.653 8.254 1 U 1.184E+04 0.000E+00 e 0 0 570 571
242 4.698 111.154 7.225 1 U 3.225E+04 0.000E+00 e 0 0 0 0
243 2.647 111.116 7.230 1 U 2.622E+04 0.000E+00 e 0 0 0 0
244 0.897 111.131 7.225 1 U 1.081E+04 0.000E+00 e 0 0 0 0
245 7.231 111.144 7.224 1 U 1.609E+06 0.000E+00 e 0 0 0 0
246 6.661 111.145 7.223 1 U 1.139E+05 0.000E+00 e 0 0 0 0
247 6.573 111.144 7.224 1 U 1.126E+06 0.000E+00 e 0 0 0 0
248 5.283 111.141 7.225 1 U 2.824E+03 0.000E+00 e 0 0 0 0
249 4.557 124.592 8.074 1 U 5.263E+04 0.000E+00 e 0 0 970 971
250 4.374 124.573 8.077 1 U 2.706E+05 0.000E+00 e 0 0 970 971
251 4.284 124.549 8.070 1 U 1.203E+04 0.000E+00 e 0 0 970 971
252 2.443 124.592 8.078 1 U 1.944E+05 0.000E+00 e 0 0 970 971
253 0.925 124.599 8.074 1 U 3.852E+04 0.000E+00 e 0 0 970 971
254 9.468 124.628 8.081 1 U 1.201E+04 0.000E+00 e 0 0 970 971
255 6.785 124.612 8.073 1 U 1.257E+04 0.000E+00 e 0 0 970 971
256 4.984 124.588 8.074 1 U 1.634E+05 0.000E+00 e 0 0 970 971
257 4.697 120.713 7.926 1 U 4.491E+04 0.000E+00 e 0 0 898 899
258 4.034 120.704 7.922 1 U 2.212E+04 0.000E+00 e 0 0 898 899
259 3.456 120.728 7.922 1 U 1.408E+05 0.000E+00 e 0 0 898 899
260 2.661 120.705 7.919 1 U 1.703E+04 0.000E+00 e 0 0 898 899
261 1.149 120.723 7.924 1 U 4.639E+04 0.000E+00 e 0 0 898 899
262 0.903 120.744 7.925 1 U 1.465E+04 0.000E+00 e 0 0 898 899
263 0.611 120.732 7.918 1 U 8.170E+03 0.000E+00 e 0 0 898 899
264 7.226 120.718 7.922 1 U 1.321E+05 0.000E+00 e 0 0 898 899
265 7.083 120.718 7.922 1 U 6.122E+04 0.000E+00 e 0 0 898 899
266 4.699 119.540 9.174 1 U 8.587E+04 0.000E+00 e 0 0 245 246
267 3.949 119.547 9.173 1 U 2.349E+05 0.000E+00 e 0 0 245 246
268 2.331 119.532 9.167 1 U 6.615E+04 0.000E+00 e 0 0 245 246
269 1.991 119.531 9.175 1 U 5.963E+04 0.000E+00 e 0 0 245 246
270 1.776 119.564 9.189 1 U 1.341E+04 0.000E+00 e 0 0 245 246
271 4.283 119.460 9.168 1 U 3.417E+04 0.000E+00 e 0 0 245 246
272 2.154 119.459 9.169 1 U 2.970E+04 0.000E+00 e 0 0 245 246
273 7.661 119.558 9.177 1 U 1.366E+04 0.000E+00 e 0 0 245 246
274 7.574 119.549 9.173 1 U 1.686E+05 0.000E+00 e 0 0 245 246
275 7.369 119.583 9.167 1 U 8.970E+03 0.000E+00 e 0 0 245 246
276 4.732 121.032 9.419 1 U 1.550E+05 0.000E+00 e 0 0 374 375
277 3.245 121.038 9.416 1 U 1.852E+05 0.000E+00 e 0 0 374 375
278 3.074 121.017 9.419 1 U 1.275E+04 0.000E+00 e 0 0 374 375
279 2.278 121.024 9.416 1 U 1.758E+04 0.000E+00 e 0 0 374 375
280 1.776 121.033 9.410 1 U 3.157E+04 0.000E+00 e 0 0 374 375
281 1.656 121.023 9.413 1 U 9.628E+04 0.000E+00 e 0 0 374 375
282 1.536 121.037 9.413 1 U 3.068E+04 0.000E+00 e 0 0 374 375
283 2.740 120.925 9.419 1 U 3.140E+04 0.000E+00 e 0 0 374 375
284 6.702 121.017 9.415 1 U 2.368E+04 0.000E+00 e 0 0 374 375
285 4.992 120.904 9.411 1 U 2.462E+04 0.000E+00 e 0 0 374 375
286 4.699 118.114 7.575 1 U 4.948E+04 0.000E+00 e 0 0 264 265
287 4.541 118.092 7.563 1 U 6.690E+04 0.000E+00 e 0 0 264 265
288 4.283 118.090 7.572 1 U 2.419E+04 0.000E+00 e 0 0 264 265
289 3.950 118.102 7.572 1 U 3.683E+04 0.000E+00 e 0 0 264 265
290 2.314 118.093 7.577 1 U 5.945E+04 0.000E+00 e 0 0 264 265
291 2.153 118.089 7.575 1 U 4.859E+04 0.000E+00 e 0 0 264 265
292 1.995 118.079 7.571 1 U 6.297E+04 0.000E+00 e 0 0 264 265
293 1.703 118.112 7.561 1 U 1.447E+04 0.000E+00 e 0 0 264 265
294 1.585 118.092 7.573 1 U 6.323E+04 0.000E+00 e 0 0 264 265
295 9.171 118.090 7.570 1 U 2.161E+05 0.000E+00 e 0 0 264 265
296 4.698 125.660 8.587 1 U 7.472E+04 0.000E+00 e 0 0 544 545
297 4.546 125.616 8.582 1 U 2.892E+04 0.000E+00 e 0 0 544 545
298 2.152 121.362 8.475 1 U 1.403E+04 0.000E+00 e 0 0 713 714
299 0.653 121.356 8.497 1 U 1.295E+04 0.000E+00 e 0 0 713 714
300 4.699 121.186 8.478 1 U 9.818E+03 0.000E+00 e 0 0 713 714
301 4.247 121.197 8.482 1 U 7.060E+04 0.000E+00 e 0 0 713 714
302 2.051 121.219 8.480 1 U 7.021E+04 0.000E+00 e 0 0 713 714
303 1.856 121.208 8.480 1 U 5.337E+04 0.000E+00 e 0 0 713 714
304 1.708 121.199 8.481 1 U 6.532E+04 0.000E+00 e 0 0 713 714
305 1.476 121.217 8.478 1 U 1.882E+04 0.000E+00 e 0 0 713 714
306 1.363 121.188 8.469 1 U 1.357E+04 0.000E+00 e 0 0 713 714
307 1.238 121.169 8.474 1 U 1.050E+04 0.000E+00 e 0 0 713 714
308 0.987 121.193 8.490 1 U 1.071E+04 0.000E+00 e 0 0 713 714
309 0.902 121.207 8.482 1 U 4.620E+04 0.000E+00 e 0 0 713 714
310 0.814 121.188 8.484 1 U 6.446E+04 0.000E+00 e 0 0 713 714
311 0.657 121.229 8.481 1 U 1.601E+04 0.000E+00 e 0 0 713 714
312 0.569 121.246 8.489 1 U 8.971E+03 0.000E+00 e 0 0 713 714
313 0.317 121.157 8.481 1 U 7.872E+03 0.000E+00 e 0 0 713 714
314 -0.765 121.240 8.480 1 U 6.573E+03 0.000E+00 e 0 0 713 714
315 8.581 121.197 8.482 1 U 1.593E+05 0.000E+00 e 0 0 713 714
316 8.490 121.192 8.481 1 U 2.089E+06 0.000E+00 e 0 0 713 714
317 7.034 121.222 8.479 1 U 6.896E+03 0.000E+00 e 0 0 713 714
318 5.580 121.198 8.482 1 U 1.540E+04 0.000E+00 e 0 0 713 714
319 5.458 121.198 8.483 1 U 4.039E+05 0.000E+00 e 0 0 713 714
320 5.368 121.192 8.490 1 U 1.310E+04 0.000E+00 e 0 0 713 714
321 5.285 121.222 8.489 1 U 7.100E+03 0.000E+00 e 0 0 713 714
322 4.155 128.360 9.260 1 U 6.534E+04 0.000E+00 e 0 0 0 0
323 0.861 128.320 9.267 1 U 8.360E+03 0.000E+00 e 0 0 0 0
324 0.778 128.356 9.270 1 U 6.126E+03 0.000E+00 e 0 0 0 0
325 0.692 128.353 9.261 1 U 2.410E+04 0.000E+00 e 0 0 0 0
326 0.526 128.351 9.255 1 U 1.462E+04 0.000E+00 e 0 0 0 0
327 0.275 128.350 9.263 1 U 1.189E+03 0.000E+00 e 0 0 0 0
328 0.191 128.334 9.256 1 U 4.383E+03 0.000E+00 e 0 0 0 0
329 0.027 128.361 9.260 1 U 1.058E+03 0.000E+00 e 0 0 0 0
330 -0.142 128.363 9.259 1 U 1.826E+03 0.000E+00 e 0 0 0 0
331 -0.296 128.362 9.261 1 U 3.259E+04 0.000E+00 e 0 0 0 0
332 7.417 128.363 9.256 1 U 7.691E+04 0.000E+00 e 0 671 663 668
333 7.120 128.362 9.260 1 U 1.700E+05 0.000E+00 e 0 664 663 668
334 6.996 128.365 9.269 1 U 8.496E+03 0.000E+00 e 0 0 0 0
335 1.892 112.214 6.889 1 U 2.825E+04 0.000E+00 e 0 0 0 0
336 4.699 112.101 6.888 1 U 7.659E+04 0.000E+00 e 0 0 0 0
337 3.408 112.119 6.884 1 U 1.278E+04 0.000E+00 e 0 0 0 0
338 1.832 112.106 6.887 1 U 3.486E+04 0.000E+00 e 0 0 0 0
339 7.627 112.112 6.887 1 U 7.288E+02 0.000E+00 e 0 0 0 0
340 7.536 112.110 6.887 1 U 5.369E+04 0.000E+00 e 0 0 0 0
341 7.421 112.113 6.887 1 U 7.053E+05 0.000E+00 e 0 0 0 0
342 6.995 112.111 6.887 1 U 3.195E+04 0.000E+00 e 0 0 0 0
343 6.887 112.112 6.887 1 U 1.452E+06 0.000E+00 e 0 0 0 0
344 6.787 112.110 6.887 1 U 6.113E+04 0.000E+00 e 0 0 0 0
345 5.368 112.111 6.883 1 U 5.679E+03 0.000E+00 e 0 0 0 0
346 4.699 123.308 8.610 1 U 1.914E+04 0.000E+00 e 0 0 485 486
347 4.575 123.302 8.607 1 U 4.105E+04 0.000E+00 e 0 0 485 486
348 4.282 123.317 8.610 1 U 9.104E+03 0.000E+00 e 0 0 485 486
349 4.199 123.308 8.613 1 U 1.710E+04 0.000E+00 e 0 0 485 486
350 4.111 123.298 8.612 1 U 1.806E+05 0.000E+00 e 0 0 485 486
351 3.939 123.293 8.610 1 U 2.905E+05 0.000E+00 e 0 0 485 486
352 3.818 123.328 8.603 1 U -5.385E+01 0.000E+00 e 0 0 485 486
353 1.006 123.284 8.609 1 U 5.606E+04 0.000E+00 e 0 0 485 486
354 0.317 123.296 8.609 1 U 1.198E+05 0.000E+00 e 0 0 485 486
355 0.736 123.212 8.606 1 U 1.553E+04 0.000E+00 e 0 0 485 486
356 8.953 123.304 8.611 1 U 4.043E+04 0.000E+00 e 0 0 485 486
357 4.148 113.398 8.364 1 U 1.981E+05 0.000E+00 e 0 0 814 815
358 1.906 113.393 8.371 1 U 2.629E+04 0.000E+00 e 0 0 814 815
359 1.473 113.402 8.360 1 U 4.189E+04 0.000E+00 e 0 0 814 815
360 1.062 113.399 8.364 1 U 1.180E+05 0.000E+00 e 0 0 814 815
361 0.881 113.405 8.366 1 U 5.485E+04 0.000E+00 e 0 0 814 815
362 0.779 113.411 8.368 1 U 6.898E+03 0.000E+00 e 0 0 814 815
363 4.449 113.256 8.368 1 U 1.223E+04 0.000E+00 e 0 0 814 815
364 5.993 113.397 8.357 1 U 2.733E+04 0.000E+00 e 0 0 814 815
365 4.993 113.390 8.361 1 U 1.221E+05 0.000E+00 e 0 0 814 815
366 4.697 122.022 8.418 1 U 1.623E+05 0.000E+00 e 0 0 41 42
367 4.539 122.032 8.415 1 U 5.492E+04 0.000E+00 e 0 0 41 42
368 4.298 122.020 8.420 1 U 2.111E+05 0.000E+00 e 0 0 41 42
369 2.240 122.051 8.420 1 U 1.406E+04 0.000E+00 e 0 0 41 42
370 2.155 122.030 8.420 1 U 1.081E+04 0.000E+00 e 0 0 41 42
371 1.985 122.042 8.419 1 U 9.407E+04 0.000E+00 e 0 0 41 42
372 1.840 122.006 8.414 1 U 3.315E+04 0.000E+00 e 0 0 41 42
373 1.027 122.045 8.417 1 U 1.219E+04 0.000E+00 e 0 0 41 42
374 5.493 122.173 8.431 1 U 9.117E+03 0.000E+00 e 0 0 41 42
375 3.866 121.361 8.386 1 U 8.680E+03 0.000E+00 e 0 0 756 757
376 3.334 121.370 8.388 1 U 2.301E+04 0.000E+00 e 0 0 756 757
377 2.864 121.308 8.383 1 U 1.726E+04 0.000E+00 e 0 0 756 757
378 2.055 121.340 8.388 1 U 9.412E+04 0.000E+00 e 0 0 756 757
379 1.741 121.305 8.384 1 U 1.679E+05 0.000E+00 e 0 0 756 757
380 0.653 121.389 8.393 1 U 1.241E+04 0.000E+00 e 0 0 756 757
# 381 4.656 121.260 8.385 1 U 1.532E+05 0.000E+00 e 0 0 756 757
382 0.901 121.261 8.389 1 U 7.937E+03 0.000E+00 e 0 0 756 757
383 7.034 121.361 8.374 1 U 1.559E+03 0.000E+00 e 0 0 756 757
384 5.453 121.275 8.390 1 U 1.325E+04 0.000E+00 e 0 0 756 757
385 1.151 123.841 8.427 1 U 2.493E+04 0.000E+00 e 0 0 60 61
386 4.120 116.841 8.508 1 U 1.100E+04 0.000E+00 e 0 0 674 675
387 2.770 116.847 8.505 1 U 1.683E+05 0.000E+00 e 0 0 674 675
388 2.639 116.841 8.502 1 U 1.150E+05 0.000E+00 e 0 0 674 675
389 1.953 116.857 8.505 1 U 3.182E+04 0.000E+00 e 0 0 674 675
390 0.772 116.823 8.507 1 U 1.894E+04 0.000E+00 e 0 0 674 675
391 0.698 116.830 8.500 1 U 1.865E+04 0.000E+00 e 0 0 674 675
392 7.405 116.837 8.508 1 U 3.932E+04 0.000E+00 e 0 0 674 675
393 5.377 116.879 8.504 1 U 4.025E+04 0.000E+00 e 0 0 674 675
394 5.107 116.843 8.505 1 U 1.787E+05 0.000E+00 e 0 0 674 675
395 4.699 116.945 8.641 1 U 5.397E+04 0.000E+00 e 0 0 281 282
396 4.570 116.835 8.641 1 U 1.517E+04 0.000E+00 e 0 0 281 282
397 3.824 116.851 8.641 1 U 1.151E+04 0.000E+00 e 0 0 281 282
398 4.706 119.546 8.343 1 U 4.007E+05 0.000E+00 e 0 0 594 595
399 4.154 119.547 8.343 1 U 8.782E+04 0.000E+00 e 0 0 594 595
400 2.233 119.550 8.344 1 U 4.947E+04 0.000E+00 e 0 0 594 595
401 1.915 119.552 8.344 1 U 1.801E+05 0.000E+00 e 0 0 594 595
402 2.573 119.483 8.340 1 U 1.607E+04 0.000E+00 e 0 0 594 595
403 4.117 124.258 8.549 1 U 2.696E+04 0.000E+00 e 0 0 581 582
404 3.984 124.258 8.557 1 U 2.537E+04 0.000E+00 e 0 0 581 582
405 3.863 124.226 8.549 1 U 4.451E+04 0.000E+00 e 0 0 581 582
406 3.449 124.251 8.549 1 U 1.363E+05 0.000E+00 e 0 0 581 582
407 2.576 124.240 8.549 1 U 1.159E+05 0.000E+00 e 0 0 581 582
408 4.702 124.214 8.547 1 U 1.334E+05 0.000E+00 e 0 0 581 582
409 7.119 124.279 8.547 1 U 1.098E+04 0.000E+00 e 0 0 581 582
410 4.742 128.840 7.482 1 U 4.010E+04 0.000E+00 e 0 0 874 875
411 3.700 128.839 7.482 1 U 5.884E+03 0.000E+00 e 0 0 874 875
412 3.607 128.833 7.482 1 U 3.009E+05 0.000E+00 e 0 0 874 875
413 2.660 128.835 7.480 1 U 7.225E+04 0.000E+00 e 0 0 874 875
414 1.151 128.831 7.483 1 U 4.179E+04 0.000E+00 e 0 0 874 875
415 -0.266 128.833 7.482 1 U 1.950E+05 0.000E+00 e 0 0 874 875
416 0.311 130.412 8.813 1 U 3.051E+04 0.000E+00 e 0 0 464 465
417 4.407 130.322 8.804 1 U 2.886E+05 0.000E+00 e 0 0 464 465
418 3.945 130.319 8.808 1 U 3.914E+04 0.000E+00 e 0 0 464 465
419 0.979 130.318 8.804 1 U 1.299E+05 0.000E+00 e 0 0 464 465
420 0.741 130.319 8.802 1 U 4.614E+04 0.000E+00 e 0 0 464 465
421 0.643 130.319 8.806 1 U 4.183E+04 0.000E+00 e 0 0 464 465
422 0.439 130.327 8.805 1 U 7.364E+04 0.000E+00 e 0 0 464 465
423 0.248 130.320 8.807 1 U 2.457E+04 0.000E+00 e 0 0 464 465
424 0.152 130.359 8.804 1 U 1.258E+04 0.000E+00 e 0 0 464 465
425 -0.765 130.317 8.806 1 U 2.265E+04 0.000E+00 e 0 479 464 465
426 5.193 130.325 8.808 1 U 3.185E+04 0.000E+00 e 0 0 464 465
427 4.699 128.464 9.941 1 U 1.361E+05 0.000E+00 e 0 0 639 644
428 2.280 128.503 9.936 1 U 6.461E+03 0.000E+00 e 0 0 639 644
429 8.496 128.522 9.932 1 U 2.411E+03 0.000E+00 e 0 0 639 644
430 7.367 128.482 9.943 1 U 6.487E+04 0.000E+00 e 0 647 639 644
431 7.121 128.462 9.941 1 U 1.539E+05 0.000E+00 e 0 640 639 644
432 2.861 112.050 7.513 1 U 1.804E+04 0.000E+00 e 0 0 0 0
433 4.791 111.973 7.513 1 U -1.754E+04 0.000E+00 e 0 0 0 0
434 4.698 112.002 7.515 1 U 1.900E+05 0.000E+00 e 0 0 0 0
435 6.744 112.128 7.528 1 U 2.937E+04 0.000E+00 e 0 0 0 0
436 7.512 111.973 7.510 1 U 1.893E+05 0.000E+00 e 0 0 0 0
437 6.831 111.983 7.513 1 U 2.227E+05 0.000E+00 e 0 0 0 0
438 6.749 112.015 7.510 1 U 2.006E+04 0.000E+00 e 0 0 0 0
439 4.699 116.353 7.028 1 U 2.053E+04 0.000E+00 e 0 0 0 0
440 7.955 116.356 7.029 1 U 3.857E+04 0.000E+00 e 0 0 0 0
441 7.034 116.356 7.029 1 U 9.493E+04 0.000E+00 e 0 0 0 0
442 4.773 128.822 7.708 1 U 2.078E+05 0.000E+00 e 0 0 211 212
443 4.658 128.874 7.708 1 U 2.056E+04 0.000E+00 e 0 0 211 212
444 4.196 128.814 7.713 1 U 3.599E+04 0.000E+00 e 0 0 211 212
445 1.705 128.823 7.713 1 U 9.900E+04 0.000E+00 e 0 0 211 212
446 0.728 128.826 7.716 1 U 7.554E+04 0.000E+00 e 0 0 211 212
447 4.195 126.264 9.333 1 U 2.742E+04 0.000E+00 e 0 0 0 0
448 6.953 126.352 9.336 1 U 1.252E+04 0.000E+00 e 0 0 0 0
449 9.336 126.269 9.335 1 U 9.162E+04 0.000E+00 e 0 0 0 0
450 5.203 126.275 9.330 1 U 1.203E+04 0.000E+00 e 0 0 0 0
451 7.996 119.734 7.901 1 U 1.210E+04 0.000E+00 e 0 0 0 0
452 7.907 119.735 7.901 1 U 1.559E+05 0.000E+00 e 0 0 0 0
453 7.789 119.670 7.895 1 U 1.275E+04 0.000E+00 e 0 0 0 0
454 3.573 129.634 7.474 1 U 3.385E+04 0.000E+00 e 0 0 0 0
455 -0.306 129.637 7.470 1 U 2.259E+04 0.000E+00 e 0 0 0 0
456 7.469 129.638 7.470 1 U 1.731E+05 0.000E+00 e 0 0 0 0
457 4.698 115.799 7.862 1 U 1.427E+05 0.000E+00 e 0 0 0 0
458 2.313 115.824 7.861 1 U 1.756E+04 0.000E+00 e 0 0 0 0
459 2.740 115.761 7.861 1 U 6.536E+04 0.000E+00 e 0 0 0 0
460 7.953 115.798 7.860 1 U 6.174E+04 0.000E+00 e 0 0 0 0
461 7.865 115.792 7.861 1 U 8.245E+05 0.000E+00 e 0 0 0 0
462 6.983 115.799 7.862 1 U 5.754E+05 0.000E+00 e 0 0 0 0
463 4.115 111.126 9.295 1 U 1.077E+04 0.000E+00 e 0 0 689 690
464 3.935 111.172 9.304 1 U 7.636E+04 0.000E+00 e 0 0 689 690
465 2.751 111.145 9.301 1 U 3.236E+04 0.000E+00 e 0 0 689 690
466 1.153 111.146 9.302 1 U 6.490E+03 0.000E+00 e 0 0 689 690
467 1.069 111.154 9.303 1 U 1.181E+04 0.000E+00 e 0 0 689 690
468 0.902 111.138 9.304 1 U 1.247E+04 0.000E+00 e 0 0 689 690
469 0.822 111.143 9.312 1 U 1.097E+04 0.000E+00 e 0 0 689 690
470 0.655 111.149 9.306 1 U 1.597E+04 0.000E+00 e 0 0 689 690
471 0.319 111.160 9.301 1 U 1.711E+04 0.000E+00 e 0 0 689 690
472 8.710 111.153 9.304 1 U 3.444E+04 0.000E+00 e 0 0 689 690
473 6.949 111.143 9.302 1 U 2.996E+04 0.000E+00 e 0 0 689 690
474 6.874 111.156 9.301 1 U 3.503E+04 0.000E+00 e 0 0 689 690
475 5.993 111.136 9.304 1 U 2.585E+04 0.000E+00 e 0 0 689 690
476 5.374 111.166 9.303 1 U 2.722E+05 0.000E+00 e 0 0 689 690
477 5.283 111.158 9.303 1 U 7.273E+04 0.000E+00 e 0 0 689 690
478 7.780 122.651 7.775 1 U 1.981E+04 0.000E+00 e 0 0 0 0
479 4.964 114.715 8.963 1 U 4.647E+04 0.000E+00 e 0 0 82 83
480 4.575 114.704 8.956 1 U 1.371E+04 0.000E+00 e 0 0 82 83
481 2.015 114.725 8.952 1 U 1.311E+04 0.000E+00 e 0 0 82 83
482 1.963 114.746 8.960 1 U 1.986E+04 0.000E+00 e 0 0 82 83
483 1.158 114.711 8.963 1 U 6.820E+04 0.000E+00 e 0 0 82 83
484 0.915 114.710 8.959 1 U 5.255E+04 0.000E+00 e 0 0 82 83
485 0.736 114.705 8.960 1 U 3.813E+04 0.000E+00 e 0 0 82 83
486 0.631 114.707 8.958 1 U 1.554E+05 0.000E+00 e 0 0 82 83
487 0.528 114.706 8.970 1 U 1.107E+04 0.000E+00 e 0 0 82 83
488 0.444 114.706 8.962 1 U 2.786E+04 0.000E+00 e 0 0 82 83
489 4.700 114.559 8.947 1 U 8.172E+03 0.000E+00 e 0 0 82 83
490 5.321 114.708 8.960 1 U 3.269E+05 0.000E+00 e 0 0 82 83
491 4.735 119.619 8.286 1 U 3.301E+04 0.000E+00 e 0 0 782 783
492 4.639 119.616 8.286 1 U 3.292E+05 0.000E+00 e 0 0 782 783
493 4.199 119.564 8.282 1 U 9.918E+03 0.000E+00 e 0 0 782 783
494 2.053 119.611 8.286 1 U 3.487E+04 0.000E+00 e 0 0 782 783
495 1.869 119.606 8.281 1 U 3.902E+04 0.000E+00 e 0 0 782 783
496 1.763 119.605 8.283 1 U 1.232E+05 0.000E+00 e 0 0 782 783
497 1.354 119.612 8.283 1 U 5.260E+04 0.000E+00 e 0 0 782 783
498 1.653 119.441 8.271 1 U 1.961E+04 0.000E+00 e 0 0 782 783
499 8.082 119.588 8.288 1 U 1.375E+04 0.000E+00 e 0 0 782 783
500 5.465 119.612 8.285 1 U 7.228E+04 0.000E+00 e 0 0 782 783
501 4.700 116.344 7.957 1 U 2.040E+04 0.000E+00 e 0 0 0 0
502 7.956 116.348 7.956 1 U 5.417E+04 0.000E+00 e 0 0 0 0
503 7.036 116.358 7.954 1 U 3.751E+04 0.000E+00 e 0 0 0 0
504 4.735 123.620 8.715 1 U 3.518E+04 0.000E+00 e 0 0 626 627
505 4.573 123.644 8.710 1 U 1.576E+04 0.000E+00 e 0 0 626 627
506 3.449 123.644 8.715 1 U 4.020E+04 0.000E+00 e 0 0 626 627
507 2.807 123.619 8.715 1 U 1.209E+05 0.000E+00 e 0 0 626 627
508 2.282 123.648 8.711 1 U 1.078E+04 0.000E+00 e 0 0 626 627
509 2.572 123.483 8.711 1 U 1.213E+04 0.000E+00 e 0 0 626 627
510 7.120 123.628 8.717 1 U 3.685E+04 0.000E+00 e 0 0 626 627
511 4.676 114.849 8.037 1 U 1.719E+05 0.000E+00 e 0 0 351 352
512 2.413 114.882 8.036 1 U 3.055E+04 0.000E+00 e 0 0 351 352
513 1.231 114.861 8.027 1 U 1.835E+04 0.000E+00 e 0 0 351 352
514 8.417 114.785 8.034 1 U 3.082E+04 0.000E+00 e 0 0 351 352
515 4.783 112.734 6.952 1 U 5.166E+04 0.000E+00 e 0 0 151 152
516 4.203 112.716 6.955 1 U 3.070E+04 0.000E+00 e 0 0 151 152
517 3.874 112.738 6.954 1 U 3.283E+04 0.000E+00 e 0 0 151 152
518 3.161 112.744 6.950 1 U 2.753E+04 0.000E+00 e 0 0 151 152
519 2.235 112.731 6.953 1 U 4.400E+04 0.000E+00 e 0 0 151 152
520 1.327 112.711 6.954 1 U 6.836E+04 0.000E+00 e 0 0 151 152
521 0.870 112.735 6.949 1 U 4.263E+04 0.000E+00 e 0 0 151 152
522 0.610 112.731 6.954 1 U 1.482E+04 0.000E+00 e 0 0 151 152
523 0.484 112.744 6.954 1 U 2.194E+04 0.000E+00 e 0 0 151 152
524 3.235 112.660 6.951 1 U 1.867E+04 0.000E+00 e 0 0 151 152
525 9.459 112.712 6.954 1 U 1.221E+05 0.000E+00 e 0 0 151 152
526 9.349 112.653 6.945 1 U 2.555E+04 0.000E+00 e 0 0 151 152
527 3.237 116.828 8.847 1 U 1.467E+04 0.000E+00 e 0 0 835 836
528 2.786 116.869 8.850 1 U 1.526E+04 0.000E+00 e 0 0 835 836
529 1.915 116.832 8.847 1 U 1.076E+05 0.000E+00 e 0 0 835 836
530 0.937 116.834 8.845 1 U 1.566E+04 0.000E+00 e 0 0 835 836
531 0.869 116.810 8.846 1 U 1.660E+04 0.000E+00 e 0 0 835 836
532 0.443 116.823 8.848 1 U 1.104E+04 0.000E+00 e 0 0 835 836
533 8.246 116.848 8.848 1 U 4.126E+04 0.000E+00 e 0 0 835 836
534 7.076 116.843 8.847 1 U 1.069E+04 0.000E+00 e 0 0 835 836
535 6.984 116.832 8.845 1 U 6.629E+04 0.000E+00 e 0 0 835 836
536 5.989 116.843 8.847 1 U 2.004E+05 0.000E+00 e 0 0 835 836
537 5.390 116.829 8.846 1 U 2.506E+04 0.000E+00 e 0 0 835 836
538 4.979 116.830 8.848 1 U 4.115E+04 0.000E+00 e 0 0 835 836
539 4.698 115.792 6.976 1 U 1.235E+05 0.000E+00 e 0 0 0 0
540 2.739 115.769 6.975 1 U 2.521E+04 0.000E+00 e 0 0 0 0
541 1.906 115.706 6.975 1 U 1.441E+04 0.000E+00 e 0 0 0 0
542 7.865 115.784 6.975 1 U 5.660E+05 0.000E+00 e 0 0 0 0
543 6.981 115.786 6.975 1 U 1.194E+06 0.000E+00 e 0 0 0 0
544 7.954 115.726 6.972 1 U 4.076E+04 0.000E+00 e 0 0 0 0
545 2.239 124.131 8.436 1 U 1.646E+04 0.000E+00 e 0 0 60 61
546 4.534 123.991 8.436 1 U 2.509E+05 0.000E+00 e 0 0 60 61
547 2.460 123.976 8.442 1 U 2.967E+04 0.000E+00 e 0 0 60 61
548 1.959 123.986 8.436 1 U 1.313E+05 0.000E+00 e 0 0 60 61
549 1.821 123.929 8.429 1 U 1.543E+04 0.000E+00 e 0 0 60 61
550 1.621 123.986 8.434 1 U 7.098E+04 0.000E+00 e 0 0 60 61
551 0.861 123.993 8.438 1 U 1.474E+04 0.000E+00 e 0 0 60 61
552 0.727 124.037 8.436 1 U 2.072E+04 0.000E+00 e 0 0 60 61
553 5.323 123.985 8.440 1 U 4.732E+04 0.000E+00 e 0 0 60 61
554 4.241 118.410 9.044 1 U 1.487E+04 0.000E+00 e 0 0 517 518
555 3.943 118.423 9.030 1 U 2.875E+04 0.000E+00 e 0 0 517 518
556 1.194 118.447 9.043 1 U 1.170E+04 0.000E+00 e 0 0 517 518
557 0.736 118.392 9.033 1 U 5.430E+04 0.000E+00 e 0 0 517 518
558 4.698 118.296 9.027 1 U 1.004E+04 0.000E+00 e 0 0 517 518
559 4.533 118.294 9.035 1 U 1.940E+04 0.000E+00 e 0 0 517 518
560 4.420 118.353 9.032 1 U 3.065E+05 0.000E+00 e 0 0 517 518
561 1.030 118.327 9.031 1 U 6.465E+04 0.000E+00 e 0 0 517 518
562 7.496 118.394 9.034 1 U 1.100E+04 0.000E+00 e 0 0 517 518
563 7.401 118.387 9.034 1 U 1.738E+05 0.000E+00 e 0 0 517 518
564 7.286 118.379 9.030 1 U 1.120E+04 0.000E+00 e 0 0 517 518
565 5.283 118.320 9.029 1 U 8.186E+04 0.000E+00 e 0 0 517 518
566 4.691 118.757 7.754 1 U 5.713E+04 0.000E+00 e 0 0 338 339
567 4.199 118.737 7.752 1 U 2.351E+05 0.000E+00 e 0 0 338 339
568 2.417 118.743 7.754 1 U 1.218E+05 0.000E+00 e 0 0 338 339
569 1.808 118.754 7.748 1 U 1.776E+04 0.000E+00 e 0 0 338 339
570 1.666 118.732 7.752 1 U 4.735E+04 0.000E+00 e 0 0 338 339
571 1.068 118.749 7.748 1 U 1.489E+04 0.000E+00 e 0 0 338 339
572 0.903 118.808 7.749 1 U 8.511E+03 0.000E+00 e 0 0 338 339
573 0.803 118.750 7.750 1 U 9.253E+04 0.000E+00 e 0 0 338 339
574 0.693 118.767 7.756 1 U 8.611E+03 0.000E+00 e 0 0 338 339
575 8.462 123.626 8.715 1 U 1.469E+05 0.000E+00 e 0 0 626 627
576 8.280 124.245 8.548 1 U 4.824E+04 0.000E+00 e 0 0 581 582
577 0.902 109.240 7.231 1 U -1.917E+04 0.000E+00 e 0 0 0 0
578 0.903 108.568 7.203 1 U -1.725E+05 0.000E+00 e 0 0 922 923
579 0.610 108.542 7.192 1 U -1.901E+04 0.000E+00 e 0 0 922 923
580 0.319 108.553 7.200 1 U -4.513E+04 0.000E+00 e 0 0 922 923
581 1.152 102.312 7.244 1 U -1.658E+05 0.000E+00 e 0 0 884 885
582 -0.268 102.316 7.245 1 U -6.648E+04 0.000E+00 e 0 0 884 885
583 -0.017 101.858 7.230 1 U -5.520E+03 0.000E+00 e 0 0 0 885
584 1.146 120.882 7.244 1 U -1.659E+04 0.000E+00 e 0 0 0 0
585 0.903 120.721 7.201 1 U -1.191E+04 0.000E+00 e 0 0 0 0
586 -0.306 114.060 7.224 1 U -1.681E+02 0.000E+00 e 0 0 0 0
587 3.657 102.363 7.232 1 U -9.772E+03 0.000E+00 e 0 0 884 885
588 4.035 102.310 7.248 1 U -6.409E+04 0.000E+00 e 0 0 884 885
589 4.375 102.308 7.247 1 U -2.660E+04 0.000E+00 e 0 0 884 885
590 4.699 102.303 7.244 1 U -5.892E+04 0.000E+00 e 0 0 884 885
591 5.245 108.559 7.198 1 U -3.957E+04 0.000E+00 e 0 0 922 923
592 7.912 130.125 7.228 1 U -9.273E+03 0.000E+00 e 0 0 0 0
593 7.917 108.586 7.201 1 U -7.773E+04 0.000E+00 e 0 0 922 923
594 7.915 102.255 7.239 1 U -6.198E+04 0.000E+00 e 0 0 884 885
595 7.955 111.138 7.222 1 U 2.049E+04 0.000E+00 e 0 0 0 0
596 5.460 109.126 8.725 1 U -2.691E+05 0.000E+00 e 0 0 807 808
597 5.369 109.148 8.724 1 U -1.485E+04 0.000E+00 e 0 0 807 808
598 4.140 109.125 8.725 1 U -1.192E+05 0.000E+00 e 0 0 807 808
599 1.881 109.158 8.727 1 U -4.407E+04 0.000E+00 e 0 0 807 808
600 1.732 109.107 8.723 1 U -3.934E+04 0.000E+00 e 0 0 807 808
601 0.904 109.122 8.732 1 U -5.494E+03 0.000E+00 e 0 0 807 808
602 0.682 109.126 8.720 1 U -2.326E+04 0.000E+00 e 0 0 807 808
603 1.068 109.060 8.721 1 U -2.875E+04 0.000E+00 e 0 0 807 808
604 0.808 109.097 8.723 1 U -4.684E+04 0.000E+00 e 0 0 807 808
605 2.204 127.306 9.234 1 U 1.729E+04 0.000E+00 e 0 0 316 317
606 2.119 127.306 9.234 1 U 1.160E+04 0.000E+00 e 0 0 316 317
607 2.573 122.088 8.423 1 U 2.298E+03 0.000E+00 e 0 0 41 189
608 1.240 122.088 8.418 1 U 6.509E+03 0.000E+00 e 0 0 41 189
609 4.616 122.503 8.419 1 U 2.008E+05 0.000E+00 e 0 0 188 189
610 2.115 120.111 7.354 1 U 8.826E+04 0.000E+00 e 0 0 299 300
611 2.197 120.111 7.352 1 U 7.062E+04 0.000E+00 e 0 0 299 300
612 8.541 117.710 8.248 1 U 1.017E+05 0.000E+00 e 0 0 570 571
613 8.214 124.232 8.549 1 U 4.139E+04 0.000E+00 e 0 0 581 582
614 7.497 102.243 7.242 1 U -6.296E+04 0.000E+00 e 0 0 884 885
;
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-aliphatic . 'not observed' 16.66 ppm . . . 4.775 . . 36493 1
2 . . N 15 N 3 aliased 20.80 ppm . . . 120.71 . . 36493 1
3 . . H 1 HN 2 'not observed' 10.68 ppm . . . 4.7 . . 36493 1
stop_
save_