Content for NMR-STAR saveframe, "spectral_peak_list_12"
save_spectral_peak_list_12
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_12
_Spectral_peak_list.Entry_ID 31080
_Spectral_peak_list.ID 9
_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 4
_Spectral_peak_list.Experiment_name '3D HNCACB'
_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
;
REMARK File written by CcpNmrFormat converter.
DATA X_AXIS 1H 1 804 11.063ppm 5.564ppm
DATA Y_AXIS 13C 1 512 77.755ppm 7.846ppm
DATA Z_AXIS 15N 1 256 135.066ppm 101.199ppm
VARS INDEX X_AXIS Y_AXIS Z_AXIS DX DY DZ X_PPM Y_PPM Z_PPM X_HZ Y_HZ Z_HZ XW YW ZW XW_HZ YW_HZ ZW_HZ X1 X3 Y1 Y3 Z1 Z3 HEIGHT DHEIGHT VOL PCHI2 TYPE ASS CLUSTID MEMCNT TROUBLE
FORMAT %5d %9.3f %9.3f %9.3f %6.3f %6.3f %6.3f %8.3f %8.3f %8.3f %9.3f %9.3f %9.3f %7.3f %7.3f %7.3f %8.3f %8.3f %8.3f %4d %4d %4d %4d %4d %4d %13e %13e %13e %.5f %d %s %4d %4d %4d
1 290.928 39.336 130.100 0.271 0.540 0.833 9.078 72.510 117.920 1195.745 812.144 1050.872 1.163 0.267 0.794 4.781 5.506 6.414 284 296 33 45 124 136 -6.611745e+06 1.699757e+05 -1.127848e+09 0.00000 1 153.H;152.CB;153.N 0 0 0
2 295.892 39.132 166.257 0.114 0.142 0.229 9.044 72.538 113.118 1216.150 807.918 1342.930 1.343 0.285 0.662 5.518 5.883 5.349 287 303 31 47 158 174 -2.084796e+07 1.699984e+05 -4.674333e+09 0.00000 1 152.H;152.CB;152.N 0 0 0
4 319.109 45.359 94.304 0.169 0.347 0.503 8.885 71.686 122.674 1311.574 936.497 761.734 1.217 0.278 0.702 5.000 5.749 5.667 311 327 37 53 87 101 -1.179341e+07 1.704331e+05 -2.524490e+09 0.00000 1 82.H;81.CB;82.N 0 0 0
5 301.149 45.250 160.994 0.092 0.099 0.131 9.008 71.701 113.817 1237.756 934.233 1300.417 1.353 0.249 0.659 5.562 5.132 5.321 293 309 37 53 152 168 -2.735942e+07 1.703322e+05 -5.547351e+09 0.00000 1 81.H;81.CB;81.N 0 0 0
17 513.460 58.100 83.454 0.547 0.549 2.071 7.554 69.943 124.115 2110.378 1199.540 674.092 0.986 0.242 0.720 4.051 4.993 5.813 510 516 55 61 80 86 -3.987166e+06 1.761741e+05 -1.800520e+08 0.00000 1 80.H;79.CB;80.N 0 0 0
18 422.052 58.034 140.634 0.161 0.148 0.337 8.180 69.952 116.521 1734.682 1198.182 1135.959 1.497 0.281 0.678 6.151 5.808 5.479 414 430 50 66 132 148 -1.803939e+07 1.703672e+05 -4.315615e+09 0.00000 1 79.H;79.CB;79.N 0 0 0
19 549.965 58.436 205.087 0.041 0.048 0.059 7.304 69.897 107.961 2260.416 1206.482 1656.579 1.415 0.229 0.661 5.815 4.728 5.340 541 557 52 64 197 213 -6.529282e+07 1.717715e+05 -1.137475e+10 0.00000 1 29.H;29.CB;29.N 0 0 0
20 453.738 58.590 127.668 0.141 0.292 0.402 7.963 69.876 118.243 1864.915 1209.651 1031.227 1.141 0.271 0.678 4.688 5.600 5.473 447 459 51 65 120 134 -1.466000e+07 1.720140e+05 -2.461551e+09 0.00000 1 30.H;;30.N 0 0 0
22 453.300 61.265 66.346 0.269 0.469 0.962 7.966 69.510 126.387 1863.115 1264.886 535.909 1.035 0.266 0.710 4.255 5.485 5.735 448 458 54 68 60 72 -6.830066e+06 1.710724e+05 -9.523078e+08 0.00000 1 163.H;162.CB;163.N 0 0 0
23 289.467 61.119 105.523 0.540 0.256 0.642 9.088 69.530 121.184 1189.743 1261.867 852.356 1.503 0.286 0.667 6.178 5.909 5.386 281 297 53 69 98 112 -1.221811e+07 1.758798e+05 -2.731662e+09 0.00000 1 162.H;162.CB;162.N 0 0 0
24 308.742 64.781 121.380 0.087 0.072 0.179 8.956 69.029 119.078 1268.964 1337.475 980.443 1.292 0.240 0.666 5.310 4.961 5.382 300 316 56 72 113 129 -3.428158e+07 1.724507e+05 -6.323124e+09 0.00000 1 72.H;72.CB;72.N 0 0 0
25 376.787 76.169 136.131 0.112 0.092 0.121 8.490 67.471 117.119 1548.635 1572.599 1099.589 1.532 0.283 0.670 6.298 5.851 5.409 368 384 68 84 128 144 -3.318007e+07 1.681907e+05 -7.151889e+09 0.00000 1 143.H;143.CB;143.N 0 0 0
26 313.706 76.111 145.957 0.680 0.239 0.363 8.922 67.479 115.814 1289.369 1571.392 1178.959 2.030 0.260 0.662 8.344 5.375 5.346 305 321 70 82 139 151 -1.000379e+07 1.693420e+05 -1.781018e+09 0.00000 1 144.H;;144.N 0 0 0
27 481.336 78.172 132.487 0.292 0.290 0.749 7.774 67.197 117.603 1978.344 1613.950 1070.152 1.251 0.267 0.673 5.142 5.509 5.439 473 489 71 85 125 139 9.792287e+06 1.732115e+05 1.755067e+09 0.00000 1 94.H;93.CA;94.N 0 0 0
28 235.879 77.668 144.429 0.123 0.157 0.358 9.455 67.266 116.017 969.487 1603.537 1166.613 1.276 0.242 0.683 5.244 5.006 5.516 227 243 70 84 136 152 -1.950945e+07 1.743803e+05 -3.534310e+09 0.00000 1 33.H;32.CB;33.N 0 0 0
29 402.486 77.631 168.772 0.052 0.037 0.061 8.314 67.271 112.784 1654.262 1602.782 1363.244 1.247 0.228 0.656 5.123 4.713 5.299 394 410 71 83 160 176 -7.908342e+07 1.759631e+05 -1.265562e+10 0.00000 1 32.H;32.CB;32.N 0 0 0
30 358.242 78.684 122.186 0.120 0.126 0.200 8.617 67.127 118.971 1472.415 1624.514 986.950 1.312 0.236 0.666 5.394 4.876 5.376 350 366 72 84 114 130 2.196253e+07 1.718191e+05 3.965053e+09 0.00000 1 93.H;93.CA;93.N 0 0 0
31 322.760 81.958 100.614 0.250 0.266 0.782 8.860 66.679 121.836 1326.578 1692.123 812.701 1.090 0.258 0.699 4.478 5.329 5.650 316 328 75 87 93 107 -8.759345e+06 1.745643e+05 -1.317474e+09 0.00000 1 127.H;126.CB;127.N 0 0 0
32 458.995 81.827 168.998 0.037 0.024 0.052 7.927 66.697 112.754 1886.521 1689.407 1365.068 1.418 0.211 0.671 5.828 4.362 5.416 450 466 75 87 160 176 -7.104055e+07 1.701877e+05 -1.228507e+10 0.00000 1 19.H;19.CB;19.N 0 0 0
33 314.875 83.252 146.296 0.310 0.420 1.969 8.914 66.502 115.769 1294.170 1718.835 1181.696 0.992 0.206 0.859 4.076 4.251 6.936 309 319 80 86 141 151 4.520914e+06 1.728907e+05 3.985474e+08 0.00000 1 144.H;143.CA;144.N 0 0 0
34 361.309 82.675 159.360 0.194 0.139 0.265 8.596 66.581 114.034 1485.019 1706.913 1287.219 1.576 0.247 0.665 6.478 5.102 5.372 351 371 74 90 151 167 -2.223551e+07 1.728440e+05 -5.488313e+09 0.00000 1 126.H;126.CB;126.N 0 0 0
35 376.933 83.786 136.003 0.201 0.131 0.211 8.489 66.429 117.136 1549.235 1729.852 1098.555 1.586 0.233 0.658 6.519 4.802 5.317 366 386 77 89 128 144 1.684033e+07 1.690622e+05 3.057887e+09 0.00000 1 143.H;143.CA;143.N 0 0 0
37 198.060 85.745 112.142 0.574 0.480 0.976 9.714 66.161 120.305 814.048 1770.297 905.817 1.435 0.230 0.717 5.897 4.748 5.789 193 203 80 90 107 117 -4.800132e+06 1.686626e+05 -5.570876e+08 0.00000 1 59.H;58.CB;59.N 0 0 0
39 249.312 85.781 141.530 0.329 0.188 0.467 9.363 66.156 116.402 1024.701 1771.051 1143.197 1.496 0.254 0.658 6.148 5.234 5.318 241 257 78 92 134 148 -1.482444e+07 1.740749e+05 -2.936759e+09 0.00000 1 58.H;58.CB;58.N 0 0 0
40 165.644 87.901 76.007 0.495 0.265 0.376 9.936 65.866 125.104 680.814 1814.816 613.941 1.579 0.263 0.643 6.489 5.420 5.196 156 174 80 94 70 82 -9.154037e+06 1.712406e+05 -1.792937e+09 0.00000 1 112.H;111.CB;112.N 0 0 0
41 293.410 88.354 105.764 0.120 0.127 0.178 9.061 65.804 121.152 1205.947 1824.173 854.302 1.231 0.256 0.670 5.058 5.282 5.410 285 301 80 96 97 113 -2.776301e+07 1.730159e+05 -5.266488e+09 0.00000 1 71.H;71.CB;71.N 0 0 0
42 469.654 87.784 178.169 0.107 0.076 0.122 7.854 65.882 111.536 1930.332 1812.402 1439.147 1.310 0.250 0.662 5.384 5.171 5.350 461 477 79 95 170 186 -3.497559e+07 1.717982e+05 -7.044502e+09 0.00000 1 111.H;111.CB;111.N 0 0 0
43 308.742 88.566 121.689 1.322 0.455 0.961 8.956 65.775 119.037 1268.964 1828.549 982.936 2.065 0.220 0.702 8.489 4.546 5.669 301 315 83 93 115 127 -6.429498e+06 1.731578e+05 -1.006887e+09 0.00000 1 72.H;71.CB;72.N 0 0 0
44 199.520 92.345 86.744 0.232 0.199 0.276 9.704 65.258 123.678 820.049 1906.572 700.671 1.300 0.261 0.665 5.343 5.393 5.373 191 207 84 100 78 94 -1.844403e+07 1.745952e+05 -3.822971e+09 0.00000 1 147.H;147.CB;147.N 0 0 0
46 482.650 92.572 240.243 0.297 0.671 0.611 7.765 65.227 103.292 1983.746 1911.250 1940.547 1.115 0.295 0.660 4.584 6.098 5.334 476 488 85 99 234 246 -7.842382e+06 1.725831e+05 -1.223589e+09 0.00000 1 148.H;147.CB;148.N 0 0 0
48 438.990 96.958 149.729 0.011 0.007 0.028 8.064 64.627 115.313 1804.300 2001.799 1209.430 1.266 0.195 0.678 5.201 4.022 5.477 430 446 90 102 141 157 -1.845537e+08 1.706126e+05 -2.650696e+10 0.00000 1 38.H;38.CB;38.N 0 0 0
50 377.079 96.965 184.938 0.044 0.041 0.070 8.488 64.626 110.637 1549.835 2001.950 1493.824 1.311 0.253 0.660 5.387 5.232 5.331 369 385 88 104 176 192 -5.153289e+07 1.687460e+05 -9.317719e+09 0.00000 1 39.H;;39.N 0 0 0
51 342.910 98.514 175.292 0.052 0.055 0.116 8.722 64.414 111.918 1409.399 2033.943 1415.914 1.334 0.201 0.670 5.484 4.152 5.409 334 350 92 104 167 183 4.809558e+07 1.760918e+05 7.169107e+09 0.00000 1 10.H;9.CA;10.N 0 0 0
52 427.601 100.620 177.468 0.063 0.065 0.151 8.142 64.126 111.629 1757.488 2077.407 1433.491 1.210 0.238 0.681 4.973 4.913 5.498 419 435 92 108 169 185 -5.009862e+07 1.759272e+05 -8.797170e+09 0.00000 1 98.H;98.CB;98.N 0 0 0
53 476.079 100.342 186.534 0.196 0.684 0.846 7.810 64.164 110.425 1956.739 2071.672 1506.718 1.129 0.275 0.690 4.641 5.675 5.575 470 482 93 107 179 193 -9.303585e+06 1.769943e+05 -1.490510e+09 0.00000 1 99.H;98.CB;99.N 0 0 0
54 298.375 102.023 105.997 0.497 0.264 0.558 9.027 63.934 121.121 1226.353 2106.382 856.187 1.243 0.236 0.690 5.109 4.872 5.570 291 305 96 108 99 111 7.202128e+06 1.724190e+05 1.097779e+09 0.00000 1 97.H;96.CA;97.N 0 0 0
55 424.681 101.533 113.903 0.174 0.157 0.169 8.162 64.001 120.071 1745.485 2096.271 920.048 1.379 0.244 0.669 5.669 5.035 5.403 416 432 94 108 105 121 2.415165e+07 1.741873e+05 4.679202e+09 0.00000 1 96.H;96.CA;96.N 0 0 0
56 396.791 102.440 131.809 0.013 0.008 0.016 8.353 63.877 117.693 1630.856 2114.984 1064.678 1.490 0.200 0.676 6.124 4.119 5.458 388 404 96 108 123 139 -3.004132e+08 1.738227e+05 -4.924087e+10 0.00000 1 43.H;43.CB;43.N 0 0 0
59 389.928 102.454 183.786 0.017 0.026 0.042 8.400 63.875 110.790 1602.649 2115.286 1484.519 1.155 0.216 0.670 4.746 4.466 5.414 383 395 96 108 175 191 -1.138869e+08 1.741135e+05 -1.485473e+10 0.00000 1 44.H;43.CB;44.N 0 0 0
61 266.250 102.966 57.025 0.376 0.185 0.378 9.247 63.805 127.625 1094.319 2125.850 460.614 1.595 0.238 0.684 6.557 4.923 5.526 257 275 96 108 50 64 1.021563e+07 1.699023e+05 2.028918e+09 0.00000 1 150.H;149.CA;150.N 0 0 0
63 424.097 102.579 93.476 0.452 0.432 1.544 8.166 63.858 122.784 1743.084 2117.852 755.044 1.499 0.223 0.804 6.159 4.608 6.497 417 431 97 107 86 100 -6.967081e+06 1.766593e+05 -1.180889e+09 0.00000 1 68.H;67.CB;68.N 0 0 0
65 469.946 102.681 103.114 0.075 0.129 0.149 7.852 63.844 121.504 1931.532 2119.964 832.893 1.212 0.264 0.669 4.983 5.458 5.406 461 477 94 110 95 111 -2.682727e+07 1.705808e+05 -4.999647e+09 0.00000 1 67.H;67.CB;67.N 0 0 0
66 259.534 102.776 107.247 0.077 0.049 0.099 9.293 63.831 120.955 1066.712 2121.926 866.284 1.284 0.237 0.664 5.276 4.894 5.362 251 267 96 108 99 115 -4.970761e+07 1.729136e+05 -8.377298e+09 0.00000 1 16.H;16.CB;16.N 0 0 0
68 383.357 102.674 129.414 0.017 0.008 0.029 8.445 63.845 118.011 1575.642 2119.814 1045.338 1.340 0.197 0.679 5.509 4.071 5.488 375 391 96 108 121 137 -2.408722e+08 1.752806e+05 -3.588978e+10 0.00000 1 42.H;42.CB;42.N 0 0 0
70 391.096 102.842 139.805 0.016 0.010 0.031 8.392 63.822 116.631 1607.450 2123.285 1129.269 1.358 0.205 0.688 5.582 4.225 5.556 383 399 96 108 131 147 -1.534912e+08 1.698839e+05 -2.551121e+10 0.00000 1 41.H;41.CB;41.N 0 0 0
71 611.146 102.929 149.790 0.773 0.516 0.937 6.885 63.810 115.305 2511.880 2125.095 1209.917 1.620 0.270 0.664 6.660 5.578 5.367 604 618 98 106 145 153 -4.733863e+06 1.673344e+05 -5.852214e+08 0.00000 1 109.H;;109.N 0 0 0
73 491.995 103.587 199.907 0.058 0.089 0.098 7.701 63.720 108.649 2022.156 2138.678 1614.735 1.291 0.241 0.651 5.306 4.985 5.257 483 499 96 110 191 207 -3.823910e+07 1.726881e+05 -6.365313e+09 0.00000 1 108.H;108.CB;108.N 0 0 0
75 405.990 105.385 99.100 0.072 0.065 0.086 8.290 63.474 122.037 1668.665 2175.803 800.476 1.589 0.234 0.667 6.532 4.831 5.390 395 415 99 111 91 107 4.576962e+07 1.707203e+05 9.162802e+09 0.00000 1 28.H;28.CA;28.N 0 0 0
76 473.451 105.407 162.778 0.278 0.177 0.309 7.828 63.471 113.580 1945.936 2176.255 1314.831 1.314 0.217 0.666 5.401 4.476 5.382 465 481 99 111 155 169 1.583407e+07 1.762784e+05 2.469776e+09 0.00000 1 138.H;138.CA;138.N 0 0 0
77 351.963 104.976 166.407 0.028 0.022 0.076 8.660 63.530 113.098 1446.609 2167.351 1344.146 1.353 0.234 0.676 5.561 4.832 5.459 343 359 98 110 158 174 -8.567238e+07 1.714297e+05 -1.477896e+10 0.00000 1 18.H;18.CB;18.N 0 0 0
78 458.995 104.998 168.681 0.137 0.146 0.375 7.927 63.527 112.796 1886.521 2167.804 1362.514 1.286 0.262 0.693 5.287 5.411 5.595 450 466 97 111 160 176 -1.550646e+07 1.688558e+05 -2.847916e+09 0.00000 1 19.H;18.CB;19.N 0 0 0
79 311.370 106.116 149.458 0.950 0.366 0.867 8.938 63.374 115.349 1279.766 2190.894 1207.241 1.941 0.287 0.683 7.980 5.916 5.514 303 319 99 113 142 156 -8.143530e+06 1.697311e+05 -1.763422e+09 0.00000 1 154.H;154.CB;154.N 0 0 0
80 549.965 105.685 205.019 0.199 0.264 0.217 7.304 63.433 107.970 2260.416 2181.990 1656.031 1.596 0.299 0.659 6.560 6.178 5.327 539 559 97 113 197 213 1.634342e+07 1.678396e+05 3.861692e+09 0.00000 1 29.H;;29.N 0 0 0
81 274.281 106.321 109.544 0.913 1.735 1.316 9.192 63.346 120.650 1127.327 2195.120 884.834 1.728 0.337 0.647 7.101 6.962 5.225 268 280 99 113 104 114 -5.787448e+06 1.777435e+05 -1.030145e+09 0.00000 1 66.H;65.CB;66.N 0 0 0
82 226.679 107.074 160.271 0.204 0.175 0.307 9.518 63.243 113.913 931.678 2210.664 1294.578 1.363 0.288 0.668 5.602 5.954 5.392 218 234 99 115 152 168 -1.637162e+07 1.705082e+05 -3.475816e+09 0.00000 1 65.H;65.CB;65.N 0 0 0
83 359.410 110.444 91.887 0.146 0.161 0.157 8.609 62.782 122.995 1477.217 2280.235 742.211 1.332 0.269 0.688 5.474 5.545 5.557 351 367 102 118 83 99 2.756236e+07 1.726890e+05 5.882730e+09 0.00000 1 53.H;52.CA;53.N 0 0 0
84 290.928 109.815 96.322 0.135 0.201 0.944 9.078 62.868 122.406 1195.745 2267.256 778.034 1.158 0.261 0.790 4.760 5.379 6.382 284 296 102 116 87 105 1.436844e+07 1.796298e+05 2.682221e+09 0.00000 1 103.H;103.CA;103.N 0 0 0
85 306.113 109.947 140.174 0.190 0.182 0.340 8.974 62.850 116.582 1258.161 2269.973 1132.249 1.277 0.264 0.676 5.247 5.449 5.462 298 314 102 116 132 148 1.288144e+07 1.692346e+05 2.479799e+09 0.00000 1 104.H;103.CA;104.N 0 0 0
86 364.229 110.999 22.637 0.241 0.441 1.369 8.576 62.706 132.192 1497.022 2291.705 182.849 0.890 0.257 0.722 3.657 5.311 5.831 361 367 105 115 17 27 -5.099296e+06 1.725247e+05 -4.105470e+08 0.00000 1 116.H;115.CB;116.N 0 0 0
87 497.836 110.860 107.360 0.256 0.285 0.640 7.661 62.725 120.940 2046.162 2288.837 867.196 1.275 0.266 0.674 5.238 5.499 5.448 491 503 104 116 100 114 -9.367305e+06 1.719668e+05 -1.372477e+09 0.00000 1 106.H;105.CB;106.N 0 0 0
88 443.663 111.430 112.029 0.121 0.123 0.143 8.032 62.647 120.320 1823.505 2300.608 904.904 1.325 0.232 0.661 5.446 4.790 5.340 435 451 105 117 104 120 2.622535e+07 1.735693e+05 4.589464e+09 0.00000 1 89.H;89.CA;89.N 0 0 0
89 441.473 110.751 144.481 0.088 0.057 0.190 8.047 62.740 116.010 1814.503 2286.573 1167.038 1.216 0.225 0.672 4.997 4.653 5.432 433 449 104 116 136 152 -4.180251e+07 1.761198e+05 -6.482688e+09 0.00000 1 105.H;105.CB;105.N 0 0 0
90 331.083 111.949 56.995 0.129 0.110 0.236 8.803 62.576 127.629 1360.787 2311.323 460.371 1.254 0.231 0.684 5.152 4.777 5.521 323 339 105 117 48 64 1.628394e+07 1.703409e+05 2.902882e+09 0.00000 1 114.H;114.CB;114.N 0 0 0
91 135.124 111.467 82.796 0.836 0.621 1.023 10.145 62.642 124.202 555.374 2301.368 668.779 1.363 0.272 0.689 5.603 5.607 5.566 128 142 106 116 77 87 -5.320787e+06 0.000000e+00 -9.122790e+08 0.00000 1 115.H;114.CB;115.N 0 0 0
93 377.955 112.337 81.880 0.021 0.038 0.053 8.482 62.523 124.324 1553.436 2319.322 661.381 1.122 0.242 0.676 4.611 4.991 5.464 371 383 104 120 73 89 7.837909e+07 1.712858e+05 1.163843e+10 0.00000 1 22.H;22.CA;22.N 0 0 0
94 133.519 111.599 83.416 0.626 0.820 1.255 10.156 62.624 124.120 548.780 2304.079 673.788 1.174 0.273 0.670 4.825 5.636 5.411 128 138 106 116 78 88 -5.442298e+06 1.759768e+05 -6.896792e+08 0.00000 1 115.H;115.CB;115.N 0 0 0
95 351.525 112.366 96.932 0.177 0.149 0.196 8.663 62.519 122.325 1444.808 2319.925 782.960 1.260 0.244 0.696 5.179 5.039 5.624 343 359 105 119 88 104 2.195115e+07 1.736119e+05 4.098820e+09 0.00000 1 23.H;22.CA;23.N 0 0 0
96 292.388 112.278 106.329 0.871 0.313 1.161 9.068 62.531 121.077 1201.746 2318.114 858.864 1.487 0.216 0.797 6.112 4.465 6.440 284 300 107 117 99 113 7.426567e+06 1.808022e+05 1.755249e+09 0.00000 1 71.H;70.CA;71.N 0 0 0
97 346.123 111.752 122.495 0.258 0.224 0.779 8.700 62.603 118.930 1422.603 2307.249 989.444 1.319 0.224 0.686 5.420 4.622 5.539 339 353 105 117 115 129 1.010780e+07 1.741271e+05 1.649443e+09 0.00000 1 90.H;89.CA;90.N 0 0 0
98 323.782 113.053 70.721 0.637 0.282 0.772 8.853 62.425 125.806 1330.779 2334.111 571.246 1.728 0.244 0.697 7.101 5.037 5.631 313 333 108 118 64 76 7.053357e+06 1.682129e+05 1.441309e+09 0.00000 1 159.H;158.CA;159.N 0 0 0
99 372.552 112.227 145.317 0.399 0.601 0.417 8.519 62.538 115.899 1531.230 2317.058 1173.790 1.455 0.302 0.680 5.978 6.232 5.490 364 380 105 119 137 153 1.491197e+07 1.797123e+05 3.109929e+09 0.00000 1 158.H;158.CA;158.N 0 0 0
100 290.051 114.932 105.726 0.263 0.157 0.704 9.084 62.168 121.157 1192.144 2372.896 853.998 1.353 0.204 0.748 5.562 4.202 6.040 282 298 108 120 98 112 9.035783e+06 1.715211e+05 1.990483e+09 0.00000 1 162.H;162.CA;162.N 0 0 0
101 438.990 116.313 149.948 0.038 0.050 0.076 8.064 61.979 115.284 1804.300 2401.419 1211.194 1.245 0.234 0.690 5.118 4.834 5.570 430 446 110 122 141 157 5.274532e+07 1.713227e+05 9.246533e+09 0.00000 1 38.H;37.CA;38.N 0 0 0
103 469.800 117.439 103.219 0.129 0.255 0.262 7.853 61.825 121.490 1930.932 2424.660 833.745 1.231 0.275 0.666 5.059 5.674 5.377 461 477 110 124 95 111 1.780453e+07 1.724196e+05 3.412388e+09 0.00000 1 67.H;67.CA;67.N 0 0 0
104 229.162 117.731 52.093 0.210 0.263 0.351 9.501 61.785 128.280 941.880 2430.696 420.777 1.353 0.262 0.689 5.560 5.404 5.569 221 237 110 124 44 60 1.167627e+07 1.686850e+05 2.306957e+09 0.00000 1 62.H;62.CA;62.N 0 0 0
106 424.389 118.111 93.619 0.349 0.385 1.092 8.164 61.733 122.765 1744.285 2438.544 756.199 1.015 0.266 0.731 4.171 5.492 5.901 419 429 111 125 87 99 7.001468e+06 1.769562e+05 1.184125e+09 0.00000 1 68.H;67.CA;68.N 0 0 0
107 289.321 118.864 55.255 0.319 0.274 0.510 9.089 61.630 127.860 1189.143 2454.088 446.321 1.255 0.273 0.681 5.158 5.644 5.503 281 297 111 125 48 62 1.020104e+07 1.717389e+05 1.903832e+09 0.00000 1 151.H;150.CA;151.N 0 0 0
108 266.834 118.696 56.573 0.277 0.234 0.504 9.243 61.653 127.685 1096.720 2450.617 456.965 1.473 0.253 0.671 6.054 5.215 5.424 258 274 112 124 49 63 1.333360e+07 1.725216e+05 2.405506e+09 0.00000 1 150.H;150.CA;150.N 0 0 0
109 135.710 119.062 83.439 1.978 0.286 1.731 10.141 61.603 124.117 557.782 2458.163 673.971 2.202 0.203 0.759 9.052 4.193 6.133 129 141 116 122 78 88 5.034316e+06 1.737454e+05 5.115032e+08 0.00000 1 115.H;115.CA;115.N 0 0 0
110 311.078 118.667 149.767 0.395 0.528 0.940 8.940 61.657 115.308 1278.566 2450.013 1209.734 1.244 0.240 0.693 5.111 4.946 5.599 305 317 113 123 144 154 5.539480e+06 1.722577e+05 7.257642e+08 0.00000 1 154.H;154.CA;154.N 0 0 0
111 453.300 120.809 127.156 0.255 1.885 0.583 7.966 61.364 118.311 1863.115 2494.231 1027.092 1.073 0.392 0.692 4.408 8.091 5.591 447 459 113 127 121 133 8.253017e+06 1.776193e+05 1.281451e+09 0.00000 1 30.H;29.CA;30.N 0 0 0
112 498.274 121.159 107.511 0.464 1.099 2.391 7.658 61.316 120.920 2047.962 2501.475 868.412 1.081 0.345 0.784 4.443 7.117 6.333 493 503 115 127 103 111 4.456232e+06 1.823154e+05 5.635213e+08 0.00000 1 106.H;105.CA;106.N 0 0 0
113 594.845 121.624 120.921 0.475 0.305 0.912 6.996 61.253 119.139 2444.881 2511.067 976.732 1.454 0.231 0.716 5.977 4.765 5.784 589 599 117 125 114 126 5.838511e+06 1.691328e+05 6.712764e+08 0.00000 1 140.H;139.CA;140.N 0 0 0
114 410.517 121.159 151.326 0.509 0.190 0.449 8.259 61.316 115.101 1687.270 2501.475 1222.324 1.564 0.245 0.662 6.427 5.057 5.345 401 419 115 127 144 158 1.241495e+07 1.737828e+05 2.568645e+09 0.00000 1 139.H;139.CA;139.N 0 0 0
115 549.965 120.765 204.944 0.072 0.045 0.093 7.304 61.370 107.980 2260.416 2493.326 1655.423 1.506 0.210 0.675 6.191 4.337 5.453 541 557 114 126 196 212 4.132438e+07 1.704066e+05 6.942184e+09 0.00000 1 29.H;29.CA;29.N 0 0 0
116 297.790 121.569 77.234 0.571 0.506 1.111 9.031 61.260 124.941 1223.952 2509.926 623.855 1.261 0.202 0.696 5.184 4.178 5.624 292 302 118 124 72 82 4.876430e+06 1.749463e+05 4.078906e+08 0.00000 1 132.H;132.CA;132.N 0 0 0
117 275.012 122.066 110.914 0.579 0.600 0.992 9.187 61.192 120.468 1130.328 2520.188 895.903 1.327 0.264 0.673 5.454 5.447 5.440 271 279 118 126 106 114 3.878339e+06 1.678490e+05 3.215104e+08 0.00000 1 66.H;65.CA;66.N 0 0 0
120 441.473 121.847 144.534 0.187 0.189 0.458 8.047 61.222 116.003 1814.503 2515.661 1167.464 1.264 0.322 0.748 5.194 6.645 6.040 433 449 111 131 136 152 2.160920e+07 1.746441e+05 8.009690e+09 0.00000 1 105.H;105.CA;105.N 0 0 0
121 327.870 123.572 46.995 0.431 0.768 0.541 8.825 60.986 128.957 1347.584 2551.277 379.602 1.446 0.274 0.671 5.941 5.647 5.423 319 335 117 129 40 52 7.116037e+06 1.729287e+05 1.237171e+09 0.00000 1 160.H;159.CA;160.N 0 0 0
122 470.823 123.213 67.032 0.312 0.238 0.291 7.846 61.035 126.296 1935.133 2543.882 541.444 1.610 0.268 0.660 6.617 5.543 5.334 461 479 115 131 59 75 1.241842e+07 1.694223e+05 2.583604e+09 0.00000 1 78.H;78.CA;78.N 0 0 0
123 323.636 123.316 70.902 0.304 0.221 0.329 8.854 61.021 125.782 1330.179 2545.995 572.705 1.473 0.243 0.698 6.055 5.013 5.639 315 331 117 129 62 78 1.309230e+07 1.710548e+05 2.654385e+09 0.00000 1 159.H;159.CA;159.N 0 0 0
125 559.748 122.841 135.837 0.521 0.431 0.873 7.237 61.086 117.158 2300.627 2536.185 1097.217 1.259 0.246 0.699 5.174 5.071 5.643 552 566 117 127 130 140 5.388940e+06 1.727381e+05 8.433096e+08 0.00000 1 134.H;134.CA;134.N 0 0 0
126 610.416 122.665 149.217 1.016 0.700 1.137 6.890 61.110 115.381 2508.880 2532.563 1205.294 1.523 0.255 0.716 6.260 5.268 5.784 605 615 118 126 144 154 4.777331e+06 1.721442e+05 5.140504e+08 0.00000 1 109.H;;109.N 0 0 0
127 227.117 122.629 160.324 0.397 0.527 0.651 9.515 61.115 113.906 933.478 2531.809 1295.004 1.657 0.300 0.695 6.810 6.187 5.616 218 236 115 129 153 167 9.106936e+06 1.698190e+05 2.172777e+09 0.00000 1 65.H;65.CA;65.N 0 0 0
128 301.003 122.724 161.137 0.112 0.118 0.232 9.009 61.102 113.798 1237.155 2533.771 1301.572 1.335 0.231 0.726 5.486 4.760 5.861 293 309 116 128 153 169 2.081806e+07 1.716655e+05 4.132758e+09 0.00000 1 81.H;81.CA;81.N 0 0 0
129 491.849 123.221 199.944 0.084 0.103 0.146 7.702 61.034 108.644 2021.555 2544.033 1615.039 1.243 0.251 0.665 5.107 5.183 5.370 483 499 115 131 191 207 2.550307e+07 1.705989e+05 4.585541e+09 0.00000 1 108.H;108.CA;108.N 0 0 0
132 421.906 123.784 140.445 0.227 0.174 0.399 8.181 60.957 116.546 1734.082 2555.653 1134.439 1.720 0.268 0.676 7.069 5.532 5.461 411 431 116 130 132 148 1.739564e+07 1.724012e+05 4.255889e+09 0.00000 1 79.H;79.CA;79.N 0 0 0
133 458.995 125.063 100.900 0.242 0.371 0.508 7.927 60.782 121.798 1886.521 2582.063 815.012 1.236 0.300 0.692 5.079 6.188 5.586 451 465 118 132 94 106 8.060564e+06 1.668083e+05 1.576566e+09 0.00000 1 84.H;83.CA;84.N 0 0 0
134 370.800 124.785 126.802 0.067 0.074 0.122 8.531 60.820 118.358 1524.029 2576.328 1024.233 1.305 0.265 0.688 5.362 5.475 5.554 362 378 116 132 118 134 3.917434e+07 1.706294e+05 7.639036e+09 0.00000 1 83.H;83.CA;83.N 0 0 0
135 290.490 125.275 129.241 0.659 0.484 0.906 9.081 60.753 118.034 1193.944 2586.440 1043.939 1.211 0.247 0.694 4.976 5.093 5.607 285 295 120 130 124 134 6.019593e+06 1.755857e+05 6.674671e+08 0.00000 1 153.H;152.CA;153.N 0 0 0
136 296.038 125.077 165.888 0.188 0.158 0.305 9.043 60.780 113.167 1216.750 2582.365 1339.950 1.489 0.272 0.745 6.119 5.623 6.018 288 304 118 132 157 173 1.594711e+07 1.687135e+05 4.072209e+09 0.00000 1 152.H;152.CA;152.N 0 0 0
137 344.808 125.750 94.070 0.264 0.336 0.290 8.709 60.688 122.705 1417.201 2596.249 759.849 1.518 0.324 0.682 6.239 6.683 5.511 336 352 116 134 86 102 1.355058e+07 1.689591e+05 3.531932e+09 0.00000 1 135.H;135.CA;135.N 0 0 0
138 254.277 126.210 123.730 0.740 0.478 0.786 9.329 60.625 118.766 1045.106 2605.757 999.419 1.643 0.273 0.667 6.754 5.633 5.384 247 261 120 132 118 128 6.362995e+06 1.697494e+05 1.000084e+09 0.00000 1 136.H;;136.N 0 0 0
139 305.821 126.298 139.722 0.060 0.072 0.159 8.976 60.613 116.642 1256.960 2607.568 1128.600 1.159 0.225 0.677 4.763 4.641 5.465 299 311 120 132 131 147 3.349182e+07 1.723892e+05 4.759659e+09 0.00000 1 104.H;104.CA;104.N 0 0 0
140 318.671 126.780 94.409 0.178 0.216 0.420 8.888 60.547 122.660 1309.774 2617.528 762.585 1.323 0.302 0.721 5.437 6.230 5.823 310 326 119 133 86 102 1.782349e+07 1.721100e+05 4.408663e+09 0.00000 1 82.H;82.CA;82.N 0 0 0
142 330.499 130.077 57.371 0.401 0.177 0.516 8.807 60.096 127.579 1358.386 2685.590 463.412 1.371 0.243 0.670 5.636 5.023 5.409 322 338 124 136 50 64 1.190058e+07 1.730872e+05 2.007361e+09 0.00000 1 114.H;113.CA;114.N 0 0 0
143 429.207 130.216 87.625 0.197 0.155 0.342 8.131 60.077 123.561 1764.090 2688.457 707.787 1.456 0.267 0.700 5.985 5.514 5.654 421 437 122 138 79 95 1.929752e+07 1.711397e+05 4.405989e+09 0.00000 1 113.H;113.CA;113.N 0 0 0
144 409.057 130.318 90.200 0.236 0.493 0.457 8.269 60.063 123.219 1681.269 2690.570 728.587 1.385 0.324 0.691 5.692 6.695 5.584 401 417 124 136 83 97 1.051119e+07 1.701939e+05 2.123812e+09 0.00000 1 156.H;156.CA;156.N 0 0 0
147 351.963 129.807 166.392 0.042 0.053 0.116 8.660 60.133 113.100 1446.609 2680.006 1344.025 1.299 0.263 0.668 5.340 5.438 5.396 343 359 121 137 158 174 5.318204e+07 1.712477e+05 1.031132e+10 0.00000 1 18.H;18.CA;18.N 0 0 0
148 459.433 129.668 169.713 0.353 0.398 0.513 7.924 60.152 112.659 1888.321 2677.139 1370.846 1.245 0.290 0.682 5.117 5.981 5.510 451 467 121 137 162 176 1.105405e+07 1.741754e+05 2.341430e+09 0.00000 1 19.H;18.CA;19.N 0 0 0
149 169.732 130.428 79.124 0.474 1.364 0.802 9.908 60.048 124.690 697.618 2692.834 639.121 1.250 0.312 0.675 5.136 6.438 5.452 164 174 125 135 74 84 5.255160e+06 1.729453e+05 6.324422e+08 0.00000 1 157.H;156.CA;157.N 0 0 0
151 299.105 131.576 106.479 0.076 0.154 0.267 9.022 59.891 121.057 1229.353 2716.527 860.080 1.239 0.265 0.673 5.092 5.476 5.434 291 307 123 139 98 114 2.756768e+07 1.735027e+05 5.378115e+09 0.00000 1 97.H;97.CA;97.N 0 0 0
152 424.243 133.308 113.143 0.283 0.702 0.683 8.165 59.654 120.172 1743.685 2752.294 913.906 1.086 0.312 0.702 4.464 6.432 5.667 418 430 126 140 107 119 6.662649e+06 1.705610e+05 1.185287e+09 0.00000 1 96.H;95.CA;96.N 0 0 0
153 437.530 133.644 111.750 0.123 0.129 0.138 8.074 59.608 120.357 1798.298 2759.236 902.654 1.293 0.290 0.657 5.314 5.985 5.309 429 445 125 141 103 119 3.547439e+07 1.738444e+05 7.189774e+09 0.00000 1 95.H;95.CA;95.N 0 0 0
154 494.186 133.995 118.805 0.060 0.050 0.117 7.686 59.560 119.420 2031.158 2766.480 959.642 1.248 0.239 0.665 5.129 4.931 5.373 486 502 127 139 110 126 3.758865e+07 1.702179e+05 6.125263e+09 0.00000 1 87.H;87.CA;87.N 0 0 0
155 427.455 134.141 177.574 0.127 0.112 0.210 8.143 59.540 111.615 1756.888 2769.498 1434.342 1.270 0.306 0.670 5.219 6.320 5.410 419 435 125 143 169 185 3.227717e+07 1.738283e+05 7.010417e+09 0.00000 1 98.H;98.CA;98.N 0 0 0
156 199.374 135.194 86.466 0.288 0.212 0.499 9.705 59.396 123.715 819.449 2791.230 698.420 1.347 0.273 0.679 5.535 5.643 5.488 191 207 127 143 79 93 1.468349e+07 1.738901e+05 3.085070e+09 0.00000 1 147.H;147.CA;147.N 0 0 0
157 424.495 135.116 94.869 0.259 0.169 0.407 8.163 59.407 122.599 1744.721 2789.621 766.295 1.213 0.255 0.702 4.985 5.265 5.670 417 431 127 143 87 101 1.358661e+07 1.738520e+05 3.007173e+09 0.00000 1 68.H;68.CA;68.N 0 0 0
158 322.030 134.697 102.157 0.038 0.069 0.086 8.865 59.464 121.631 1323.577 2780.968 825.169 1.155 0.263 0.664 4.746 5.423 5.365 316 328 126 142 94 110 4.841930e+07 1.717050e+05 8.376710e+09 0.00000 1 34.H;34.CA;34.N 0 0 0
159 482.358 135.070 103.942 0.394 0.297 0.428 7.767 59.413 121.394 1982.545 2788.664 839.584 1.310 0.281 0.677 5.384 5.794 5.471 475 489 128 142 97 109 9.176350e+06 1.718932e+05 1.731249e+09 0.00000 1 88.H;87.CA;88.N 0 0 0
160 475.495 134.865 186.602 0.686 0.523 1.849 7.814 59.441 110.416 1954.338 2784.439 1507.266 1.223 0.266 0.811 5.025 5.496 6.550 470 480 129 139 179 193 5.225152e+06 1.760462e+05 7.634605e+08 0.00000 1 99.H;98.CA;99.N 0 0 0
162 482.504 135.830 240.220 0.518 0.292 0.632 7.766 59.309 103.295 1983.146 2804.359 1940.365 1.264 0.238 0.677 5.194 4.923 5.469 475 489 129 141 234 246 7.811984e+06 1.744162e+05 1.240963e+09 0.00000 1 148.H;147.CA;148.N 0 0 0
163 481.190 136.663 132.569 0.079 0.075 0.225 7.775 59.195 117.592 1977.744 2821.564 1070.821 1.261 0.220 0.705 5.183 4.543 5.698 473 489 130 142 124 140 3.376207e+07 1.747262e+05 5.530420e+09 0.00000 1 94.H;94.CA;94.N 0 0 0
164 539.743 137.577 157.063 0.248 0.492 0.356 7.374 59.070 114.339 2218.406 2840.428 1268.669 1.188 0.273 0.673 4.884 5.646 5.440 533 545 130 144 150 164 1.136631e+07 1.751685e+05 1.885785e+09 0.00000 1 101.H;100.CA;101.N 0 0 0
165 353.132 137.401 98.317 0.256 0.524 0.586 8.652 59.094 122.141 1451.410 2836.806 794.151 1.247 0.263 0.683 5.123 5.424 5.514 345 361 130 144 91 105 1.024575e+07 1.769371e+05 2.001527e+09 0.00000 1 85.H;84.CA;85.N 0 0 0
166 411.101 137.876 100.614 0.053 0.060 0.147 8.255 59.029 121.836 1689.671 2846.615 812.701 1.277 0.265 0.679 5.249 5.480 5.488 403 419 129 145 92 108 4.257229e+07 1.701469e+05 8.249234e+09 0.00000 1 100.H;100.CA;100.N 0 0 0
167 458.703 137.569 100.636 0.130 0.135 0.230 7.929 59.071 121.833 1885.321 2840.277 812.884 1.281 0.245 0.673 5.263 5.049 5.435 450 466 130 144 92 108 2.737342e+07 1.762814e+05 5.092586e+09 0.00000 1 84.H;84.CA;84.N 0 0 0
168 420.300 138.147 105.387 0.323 0.161 2.652 8.192 58.992 121.202 1727.480 2852.199 851.261 1.205 0.183 1.032 4.954 3.771 8.337 412 428 132 144 94 116 8.097241e+06 1.778724e+05 2.810102e+09 0.00000 1 56.H;55.CA;56.N 0 0 0
169 462.938 138.286 158.004 0.126 0.112 0.176 7.900 58.973 114.214 1902.725 2855.067 1276.271 1.436 0.235 0.697 5.903 4.860 5.634 454 470 132 144 150 166 2.276690e+07 1.692324e+05 4.318107e+09 0.00000 1 55.H;55.CA;55.N 0 0 0
170 363.471 135.795 129.279 0.135 0.196 0.235 8.581 59.314 118.029 1493.907 2803.646 1044.242 1.190 0.284 0.719 4.889 5.864 5.811 357 369 128 142 121 137 1.876048e+07 1.705915e+05 3.498794e+09 0.00000 1 69.H;68.CA;69.N 0 0 0
171 430.959 140.405 90.035 0.064 0.114 0.126 8.119 58.683 123.241 1771.292 2898.832 727.249 1.202 0.246 0.667 4.940 5.070 5.385 422 438 132 148 82 98 3.019651e+07 1.731291e+05 5.539388e+09 0.00000 1 92.H;92.CA;92.N 0 0 0
172 390.950 140.625 139.820 0.034 0.061 0.063 8.393 58.653 116.629 1606.850 2903.359 1129.391 1.399 0.248 0.695 5.751 5.111 5.613 382 398 133 147 131 147 8.035006e+07 1.781593e+05 1.547185e+10 0.00000 1 41.H;41.CA;41.N 0 0 0
174 383.211 140.968 129.512 0.022 0.020 0.066 8.446 58.606 117.998 1575.042 2910.452 1046.128 1.197 0.263 0.693 4.918 5.421 5.596 375 391 132 148 121 137 1.190470e+08 1.727175e+05 2.203296e+10 0.00000 1 42.H;42.CA;42.N 0 0 0
175 396.937 140.946 131.899 0.020 0.014 0.030 8.352 58.609 117.681 1631.456 2909.999 1065.408 1.428 0.247 0.709 5.870 5.106 5.726 388 404 133 147 123 139 1.446775e+08 1.678365e+05 2.979271e+10 0.00000 1 43.H;43.CA;43.N 0 0 0
177 351.963 140.574 166.242 0.118 0.173 0.242 8.660 58.660 113.120 1446.609 2902.303 1342.808 1.320 0.241 0.665 5.426 4.986 5.368 343 359 134 146 158 174 1.988834e+07 1.720400e+05 3.223982e+09 0.00000 1 18.H;17.CA;18.N 0 0 0
178 132.351 140.552 169.193 1.392 0.685 0.690 10.164 58.663 112.728 543.979 2901.850 1366.650 2.065 0.272 0.675 8.489 5.624 5.451 123 141 134 146 163 175 6.654520e+06 1.718478e+05 1.367799e+09 0.00000 1 128.H;127.CA;128.N 0 0 0
179 390.074 140.764 183.763 0.026 0.036 0.081 8.399 58.634 110.793 1603.249 2906.226 1484.336 1.115 0.227 0.681 4.582 4.684 5.504 384 396 134 146 175 191 6.118366e+07 1.706710e+05 8.391998e+09 0.00000 1 44.H;43.CA;44.N 0 0 0
181 453.008 142.781 66.633 0.073 0.100 0.210 7.968 58.358 126.349 1861.915 2947.879 538.221 1.275 0.264 0.677 5.242 5.455 5.471 445 461 134 150 58 74 2.933458e+07 1.715223e+05 5.583899e+09 0.00000 1 163.H;163.CA;163.N 0 0 0
182 357.950 142.781 122.148 0.279 0.296 0.352 8.619 58.358 118.976 1471.215 2947.879 986.646 1.600 0.297 0.683 6.577 6.125 5.520 347 367 135 149 115 129 1.218100e+07 1.689160e+05 3.468069e+09 0.00000 1 73.H;73.CA;73.N 0 0 0
183 458.849 142.803 169.126 0.063 0.038 0.085 7.928 58.355 112.737 1885.921 2948.331 1366.102 1.481 0.211 0.666 6.086 4.361 5.382 450 466 136 148 161 177 4.675014e+07 1.703072e+05 8.308650e+09 0.00000 1 19.H;19.CA;19.N 0 0 0
184 293.556 144.185 105.794 0.253 0.139 0.233 9.060 58.166 121.148 1206.548 2976.854 854.545 1.386 0.258 0.660 5.696 5.324 5.330 285 301 136 152 97 113 1.949542e+07 1.737731e+05 3.893135e+09 0.00000 1 71.H;71.CA;71.N 0 0 0
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209 166.228 150.025 75.886 0.595 0.329 0.788 9.932 57.367 125.120 683.214 3097.434 612.968 1.464 0.228 0.686 6.015 4.717 5.542 160 172 146 154 70 80 5.297980e+06 1.710931e+05 6.093316e+08 0.00000 1 112.H;111.CA;112.N 0 0 0
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211 406.277 151.631 99.930 0.255 0.353 0.437 8.288 57.147 121.927 1669.845 3130.596 807.182 1.220 0.257 0.730 5.016 5.310 5.894 398 414 143 159 91 107 1.359948e+07 1.785808e+05 4.414673e+09 0.00000 1 28.H;27.CA;28.N 0 0 0
212 187.984 150.142 110.523 0.107 0.122 0.316 9.783 57.351 120.520 772.637 3099.849 892.740 1.356 0.272 0.672 5.572 5.607 5.431 179 195 142 158 102 118 2.266034e+07 1.713003e+05 4.414488e+09 0.00000 1 12.H;11.CA;12.N 0 0 0
213 254.131 149.886 123.888 0.327 0.157 0.314 9.330 57.386 118.745 1044.506 3094.567 1000.696 1.837 0.250 0.709 7.552 5.169 5.727 244 264 142 156 115 131 1.404267e+07 1.691748e+05 3.105818e+09 0.00000 1 136.H;136.CA;136.N 0 0 0
214 534.487 150.244 132.072 0.031 0.016 0.036 7.410 57.337 117.658 2196.800 3101.962 1066.807 1.188 0.196 0.670 4.883 4.045 5.410 528 540 144 156 124 140 1.107587e+08 1.748312e+05 1.341047e+10 0.00000 1 11.H;11.CA;11.N 0 0 0
215 469.654 150.405 178.259 0.109 0.127 0.173 7.854 57.315 111.524 1930.332 3105.282 1439.877 1.299 0.251 0.658 5.340 5.180 5.313 461 477 142 158 170 186 2.851141e+07 1.729760e+05 5.218707e+09 0.00000 1 111.H;111.CA;111.N 0 0 0
216 445.415 150.968 112.654 0.128 0.054 0.138 8.020 57.238 120.237 1830.707 3116.902 909.952 1.407 0.257 0.669 5.784 5.307 5.403 437 453 142 158 104 120 4.269227e+07 1.733300e+05 8.808692e+09 0.00000 1 27.H;27.CA;27.N 0 0 0
218 577.710 151.200 123.041 0.704 0.320 1.081 7.114 57.206 118.857 2374.454 3121.695 993.855 1.440 0.197 0.812 5.918 4.063 6.556 572 582 148 154 117 129 5.217194e+06 0.000000e+00 4.900403e+08 0.00000 1 137.H;136.CA;137.N 0 0 0
219 424.535 151.443 128.714 0.531 0.379 1.919 8.163 57.173 118.104 1744.885 3126.712 1039.681 1.177 0.200 0.753 4.838 4.128 6.081 418 430 147 155 123 133 7.519698e+06 1.949474e+05 7.956579e+08 0.00000 1 131.H;131.CA;131.N 0 0 0
220 281.436 153.014 72.400 0.588 0.221 0.606 9.143 56.958 125.583 1156.735 3159.158 584.809 1.693 0.264 0.680 6.959 5.457 5.494 271 291 146 160 65 79 1.071784e+07 1.716425e+05 2.585277e+09 0.00000 1 63.H;63.CA;63.N 0 0 0
221 308.742 152.963 121.516 0.123 0.083 0.317 8.956 56.965 119.060 1268.964 3158.102 981.537 1.256 0.246 0.689 5.162 5.084 5.565 300 316 144 160 113 129 2.534673e+07 1.726256e+05 4.711020e+09 0.00000 1 72.H;72.CA;72.N 0 0 0
223 589.536 152.627 130.100 0.251 0.153 0.213 7.033 57.011 117.920 2423.058 3151.160 1050.872 1.347 0.231 0.670 5.536 4.763 5.412 581 597 146 158 122 138 1.957928e+07 1.755587e+05 3.344739e+09 0.00000 1 74.H;74.CA;74.N 0 0 0
226 322.322 153.753 100.102 0.606 0.324 0.638 8.863 56.857 121.904 1324.778 3174.401 808.565 1.440 0.219 0.682 5.917 4.512 5.512 315 329 149 157 94 106 6.520150e+06 1.719635e+05 9.416466e+08 0.00000 1 127.H;126.CA;127.N 0 0 0
228 386.132 154.301 107.405 0.003 0.005 0.015 8.426 56.782 120.934 1587.045 3185.719 867.561 0.962 0.206 0.693 3.952 4.256 5.595 380 392 148 160 99 115 4.611983e+08 1.748453e+05 4.811543e+10 0.00000 1 4.H;4.CA;4.N 0 0 0
230 360.870 153.819 159.179 0.164 0.108 0.294 8.599 56.848 114.058 1483.218 3175.759 1285.759 1.382 0.208 0.688 5.678 4.288 5.556 352 368 147 159 151 167 1.569289e+07 1.720454e+05 3.190375e+09 0.00000 1 126.H;126.CA;126.N 0 0 0
231 364.083 155.405 22.404 0.061 0.128 0.221 8.577 56.631 132.223 1496.421 3208.507 180.964 1.158 0.256 0.675 4.760 5.282 5.453 358 370 147 163 14 30 2.983316e+07 1.737063e+05 4.711017e+09 0.00000 1 116.H;116.CA;116.N 0 0 0
232 578.730 155.310 157.477 0.237 0.200 0.745 7.107 56.644 114.284 2378.646 3206.545 1272.014 1.220 0.215 0.707 5.016 4.449 5.712 571 585 150 160 150 164 1.164718e+07 1.746884e+05 1.671368e+09 0.00000 1 117.H;;117.N 0 0 0
233 433.652 156.808 58.704 0.130 0.844 0.457 8.100 56.439 127.402 1782.357 3237.476 474.176 0.974 0.298 0.693 4.003 6.161 5.598 427 439 149 163 51 65 1.225143e+07 0.000000e+00 2.348401e+09 0.00000 1 161.H;161.CA;161.N 0 0 0
236 394.726 156.022 98.959 0.005 0.004 0.018 8.367 56.547 122.056 1622.370 3221.252 799.338 1.005 0.220 0.688 4.129 4.552 5.560 388 400 150 162 90 106 3.928107e+08 1.735330e+05 4.676354e+10 0.00000 1 5.H;5.CA;5.N 0 0 0
237 408.473 156.384 107.187 0.024 0.017 0.039 8.273 56.497 120.963 1678.868 3228.730 865.797 1.132 0.202 0.705 4.652 4.167 5.692 402 414 150 162 99 115 1.363703e+08 1.772479e+05 1.751657e+10 0.00000 1 46.H;46.CA;46.N 0 0 0
238 369.924 156.348 119.024 0.093 0.098 0.130 8.537 56.502 119.391 1520.428 3227.975 961.406 1.397 0.240 0.685 5.742 4.964 5.535 361 377 148 164 111 127 3.001667e+07 1.697879e+05 5.431546e+09 0.00000 1 47.H;;47.N 0 0 0
240 379.561 156.684 72.860 0.052 0.150 0.153 8.471 56.456 125.522 1560.038 3234.917 588.519 0.849 0.322 0.747 3.491 6.638 6.031 375 383 148 164 64 80 3.759707e+07 1.818812e+05 5.324406e+09 0.00000 1 36.H;35.CA;36.N 0 0 0
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244 290.782 157.042 129.979 0.171 0.110 0.218 9.079 56.407 117.936 1195.145 3242.312 1049.899 1.370 0.238 0.675 5.629 4.917 5.454 282 298 151 163 121 137 1.719332e+07 1.690082e+05 3.081125e+09 0.00000 1 153.H;153.CA;153.N 0 0 0
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248 165.498 158.489 76.263 0.593 0.467 0.614 9.937 56.209 125.070 680.213 3272.193 616.009 1.443 0.244 0.666 5.932 5.028 5.378 157 173 152 164 70 82 8.453369e+06 1.757864e+05 1.433217e+09 0.00000 1 112.H;112.CA;112.N 0 0 0
249 368.756 157.773 76.203 0.048 0.061 0.095 8.545 56.307 125.078 1515.626 3257.403 615.523 1.208 0.261 0.668 4.966 5.397 5.394 360 376 149 165 68 84 4.747704e+07 1.705600e+05 8.808282e+09 0.00000 1 7.H;6.CA;7.N 0 0 0
254 345.393 159.052 67.047 0.350 0.104 0.181 8.705 56.132 126.294 1419.602 3283.813 541.566 1.541 0.251 0.665 6.332 5.186 5.369 337 353 151 167 59 75 2.121390e+07 1.736959e+05 4.369282e+09 0.00000 1 14.H;13.CA;14.N 0 0 0
257 325.388 159.286 81.797 0.057 0.052 0.080 8.842 56.100 124.335 1337.381 3288.642 660.712 1.300 0.260 0.690 5.343 5.373 5.573 317 333 151 167 73 89 6.103272e+07 1.711953e+05 1.107767e+10 0.00000 1 13.H;13.CA;13.N 0 0 0
260 556.389 159.447 129.949 0.267 0.213 0.186 7.260 56.078 117.940 2286.823 3291.963 1049.656 1.491 0.265 0.656 6.128 5.463 5.302 548 564 151 167 121 137 2.019784e+07 1.729694e+05 4.368915e+09 0.00000 1 57.H;57.CA;57.N 0 0 0
261 249.604 158.760 141.635 0.260 0.143 0.407 9.361 56.172 116.388 1025.902 3277.777 1144.049 1.411 0.235 0.717 5.799 4.860 5.795 241 257 152 164 133 149 1.709345e+07 1.718898e+05 3.373271e+09 0.00000 1 58.H;58.CA;58.N 0 0 0
263 402.486 158.826 168.538 0.108 0.052 0.193 8.314 56.163 112.815 1654.262 3279.135 1361.358 1.352 0.233 0.684 5.557 4.816 5.523 394 410 152 164 160 176 4.357136e+07 1.761131e+05 7.744670e+09 0.00000 1 32.H;32.CA;32.N 0 0 0
266 346.123 159.929 121.907 0.086 0.089 0.156 8.700 56.012 119.008 1422.603 3301.923 984.700 1.245 0.253 0.666 5.115 5.222 5.377 338 354 151 167 113 129 2.449241e+07 1.699160e+05 4.482383e+09 0.00000 1 90.H;90.CA;90.N 0 0 0
267 574.642 160.331 123.097 0.132 0.107 0.143 7.135 55.957 118.850 2361.842 3310.223 994.310 1.314 0.240 0.663 5.399 4.963 5.356 566 582 152 168 115 131 2.736201e+07 1.716964e+05 4.756126e+09 0.00000 1 121.H;121.CA;121.N 0 0 0
268 333.711 160.514 133.992 0.148 0.152 0.163 8.785 55.932 117.403 1371.590 3313.996 1082.316 1.408 0.234 0.677 5.785 4.837 5.469 325 341 154 166 125 141 2.454330e+07 1.752451e+05 4.377434e+09 0.00000 1 125.H;125.CA;125.N 0 0 0
269 235.879 159.812 144.300 0.223 0.264 0.420 9.455 56.028 116.034 969.487 3299.508 1165.579 1.337 0.282 0.653 5.496 5.812 5.271 227 243 152 166 137 151 1.193730e+07 1.695175e+05 2.419651e+09 0.00000 1 33.H;32.CA;33.N 0 0 0
270 383.941 159.783 188.627 0.016 0.019 0.071 8.441 56.032 110.147 1578.042 3298.905 1523.626 1.036 0.202 0.693 4.259 4.178 5.600 377 389 153 165 180 196 9.245442e+07 1.748074e+05 1.157958e+10 0.00000 1 50.H;49.CA;50.N 0 0 0
272 513.168 161.420 83.943 0.099 0.096 0.121 7.556 55.808 124.050 2109.178 3332.709 678.046 1.360 0.227 0.662 5.590 4.689 5.345 505 521 155 167 75 91 3.156143e+07 1.732758e+05 5.356599e+09 0.00000 1 80.H;80.CA;80.N 0 0 0
273 423.079 162.259 98.568 0.053 0.044 0.126 8.173 55.693 122.108 1738.903 3350.031 796.177 1.175 0.157 0.719 4.830 3.235 5.810 415 431 158 166 90 106 4.061343e+07 1.861050e+05 5.988124e+09 0.00000 1 145.H;145.CA;145.N 0 0 0
275 417.088 160.631 116.885 0.008 0.010 0.021 8.214 55.916 119.675 1714.277 3316.411 944.133 1.039 0.199 0.684 4.272 4.108 5.528 411 423 154 166 108 124 2.062654e+08 1.736985e+05 2.290868e+10 0.00000 1 49.H;49.CA;49.N 0 0 0
277 411.977 163.204 46.378 0.082 0.169 0.355 8.249 55.564 129.039 1693.272 3369.532 374.615 1.068 0.274 0.691 4.390 5.655 5.582 405 417 156 170 38 54 1.849860e+07 1.737198e+05 3.139318e+09 0.00000 1 26.H;25.CA;26.N 0 0 0
278 236.463 162.831 78.928 0.146 0.082 0.114 9.451 55.615 124.716 971.888 3361.836 637.540 1.393 0.261 0.656 5.727 5.391 5.295 228 244 155 169 70 86 3.255737e+07 1.718866e+05 6.285682e+09 0.00000 1 25.H;25.CA;25.N 0 0 0
279 333.857 162.912 94.206 0.073 0.050 0.135 8.784 55.604 122.687 1372.190 3363.496 760.943 1.269 0.223 0.678 5.215 4.613 5.477 325 341 156 168 86 102 3.492408e+07 1.712058e+05 5.756879e+09 0.00000 1 107.H;;107.N 0 0 0
280 416.066 162.838 94.567 0.309 0.058 4.315 8.221 55.614 122.639 1710.076 3361.987 763.863 1.747 0.140 1.199 7.182 2.892 9.686 406 426 158 166 80 108 1.427022e+07 1.818784e+05 5.882325e+09 0.00000 1 146.H;145.CA;146.N 0 0 0
282 491.995 162.992 200.163 0.163 0.174 0.366 7.701 55.593 108.615 2022.156 3365.156 1616.802 1.237 0.252 0.684 5.083 5.197 5.527 484 498 156 168 192 208 1.199680e+07 1.687085e+05 1.966856e+09 0.00000 1 108.H;107.CA;108.N 0 0 0
283 351.817 164.454 97.218 0.028 0.035 0.049 8.661 55.393 122.287 1446.009 3395.339 785.271 1.284 0.237 0.671 5.278 4.885 5.417 343 359 158 170 89 105 9.836786e+07 1.730011e+05 1.657831e+10 0.00000 1 23.H;23.CA;23.N 0 0 0
285 314.291 163.847 139.610 0.292 0.169 0.468 8.918 55.476 116.657 1291.769 3382.813 1127.688 1.392 0.245 0.676 5.722 5.068 5.457 306 322 157 169 132 146 1.376210e+07 1.731007e+05 2.254983e+09 0.00000 1 24.H;23.CA;24.N 0 0 0
286 471.115 164.768 66.452 0.286 0.349 1.117 7.844 55.350 126.373 1936.334 3401.828 536.761 1.226 0.244 0.732 5.039 5.031 5.916 463 479 159 169 60 72 7.303626e+06 1.715936e+05 1.139664e+09 0.00000 1 78.H;77.CA;78.N 0 0 0
288 274.427 164.746 109.853 0.237 0.121 0.229 9.191 55.353 120.609 1127.928 3401.375 887.327 1.396 0.226 0.676 5.737 4.676 5.462 266 282 158 170 101 117 1.887577e+07 1.719892e+05 3.471636e+09 0.00000 1 66.H;66.CA;66.N 0 0 0
290 420.154 166.676 106.908 0.115 0.118 0.322 8.193 55.089 121.000 1726.880 3441.216 863.547 1.157 0.206 0.805 4.754 4.256 6.502 414 426 160 172 98 114 1.837584e+07 1.773166e+05 3.351007e+09 0.00000 1 56.H;56.CA;56.N 0 0 0
291 453.738 167.005 127.698 0.100 0.064 0.188 7.963 55.044 118.239 1864.915 3448.008 1031.471 1.370 0.243 0.694 5.630 5.007 5.608 445 461 159 175 119 135 3.053594e+07 1.701307e+05 6.140596e+09 0.00000 1 30.H;30.CA;30.N 0 0 0
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320 539.451 172.465 156.446 0.046 0.031 0.090 7.376 54.297 114.421 2217.205 3560.740 1263.681 1.221 0.197 0.674 5.017 4.075 5.444 531 547 166 178 148 164 8.336906e+07 1.802746e+05 1.158155e+10 0.00000 1 101.H;101.CA;101.N 0 0 0
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333 396.499 178.210 195.043 0.144 0.118 0.146 8.355 53.511 109.295 1629.655 3679.359 1575.445 1.254 0.273 0.672 5.153 5.640 5.429 388 404 170 186 187 203 2.664102e+07 1.725466e+05 4.867985e+09 0.00000 1 48.H;47.CA;48.N 0 0 0
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513 380.729 269.119 111.434 0.003 0.003 0.014 8.463 41.074 120.399 1564.839 5556.276 900.100 0.982 0.198 0.694 4.036 4.090 5.605 374 386 263 275 103 119 -5.111984e+08 1.740338e+05 -5.634091e+10 0.00000 1 3.H;3.CB;3.N 0 0 0
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815 353.424 432.042 98.385 0.115 0.040 0.190 8.650 18.785 122.132 1452.610 8919.998 794.698 1.282 0.201 0.690 5.268 4.157 5.572 345 361 426 438 90 106 -3.537861e+07 1.747765e+05 -5.648929e+09 0.00000 1 85.H;85.CB;85.N 0 0 0
816 422.928 431.640 112.654 0.308 0.357 0.703 8.174 18.840 120.237 1738.283 8911.698 909.952 1.467 0.257 0.732 6.028 5.307 5.910 414 430 425 437 104 120 -9.695215e+06 1.685389e+05 -1.870526e+09 0.00000 1 86.H;;86.N 0 0 0
817 485.862 433.825 81.556 0.046 0.031 0.132 7.743 18.541 124.367 1996.949 8956.821 658.766 1.334 0.204 0.675 5.481 4.207 5.449 477 493 427 439 73 89 -5.235786e+07 1.732107e+05 -8.154042e+09 0.00000 1 118.H;118.CB;118.N 0 0 0
818 437.676 433.752 149.872 0.216 0.212 0.413 8.073 18.551 115.294 1798.899 8955.312 1210.586 1.080 0.231 0.709 4.440 4.765 5.724 431 443 427 439 142 156 -1.142490e+07 1.750902e+05 -1.563709e+09 0.00000 1 119.H;118.CB;119.N 0 0 0
819 492.141 446.405 200.042 0.140 0.242 0.281 7.700 16.820 108.631 2022.756 9216.544 1615.829 1.162 0.237 0.661 4.776 4.899 5.340 486 498 440 452 193 207 -1.325896e+07 1.724360e+05 -1.796404e+09 0.00000 1 108.H;107.CB;108.N 0 0 0
820 333.857 446.507 94.236 0.077 0.105 0.154 8.784 16.806 122.683 1372.190 9218.657 761.187 1.258 0.224 0.661 5.169 4.631 5.339 325 341 440 452 86 102 -3.169417e+07 1.745931e+05 -4.910387e+09 0.00000 1 107.H;107.CB;107.N 0 0 0
832 377.002 238.135 184.996 2.000 2.000 2.000 8.488 45.313 110.629 1549.520 4916.576 1494.294 5.777 3.804 5.758 23.743 78.539 46.507 376 378 237 239 183 185 3.194967e+08 0.000000e+00 6.814782e+09 0.00000 1 39.H;39.CA;39.N 0 0 0
833 357.313 152.736 122.602 2.000 2.000 2.000 8.623 56.996 118.916 1468.597 3153.407 990.309 4.606 3.082 5.976 18.931 63.623 48.273 356 358 151 153 121 123 4.853884e+06 0.000000e+00 8.579421e+07 0.00000 1 73.H;;73.N 0 0 0
834 396.313 235.948 194.722 2.000 2.000 2.000 8.356 45.612 109.337 1628.890 4871.418 1572.858 5.537 3.723 5.562 22.760 76.864 44.924 395 397 234 236 193 195 2.688247e+08 0.000000e+00 5.690828e+09 0.00000 1 48.H;48.CA;48.N 0 0 0
835 290.076 156.213 105.803 2.000 2.000 2.000 9.084 56.521 121.147 1192.243 3225.204 854.620 7.721 5.095 6.050 31.735 105.190 48.866 289 291 155 157 104 106 5.371008e+06 0.000000e+00 1.280622e+08 0.00000 1 162.H;;162.N 0 0 0
842 558.148 272.494 137.265 2.000 2.000 2.000 7.248 40.612 116.968 2294.051 5625.954 1108.747 7.408 5.801 5.577 30.449 119.767 45.045 557 559 271 273 136 138 -3.776888e+06 0.000000e+00 -7.842830e+07 0.00000 1 134.H;134.CB;134.N 0 0 0
843 353.463 166.863 98.385 2.000 2.000 2.000 8.649 55.064 122.132 1452.773 3445.072 794.698 7.336 7.185 6.022 30.153 148.347 48.646 352 354 165 167 97 99 5.251879e+07 0.000000e+00 1.300824e+09 0.00000 1 85.H;85.CA;85.N 0 0 0
844 358.851 141.715 122.654 2.000 2.000 2.000 8.613 58.504 118.909 1474.920 2925.865 990.730 11.315 8.007 7.403 46.505 165.312 59.796 357 359 140 142 121 123 9.810238e+06 0.000000e+00 2.695340e+08 0.00000 1 93.H;92.CA;93.N 0 0 0
846 447.988 165.083 129.979 2.000 2.000 2.000 8.002 55.307 117.936 1841.282 3408.334 1049.899 12.980 5.093 6.393 53.350 105.148 51.643 446 448 164 166 128 130 7.089510e+06 0.000000e+00 1.685576e+08 0.00000 1 77.H;77.CA;77.N 0 0 0
847 383.707 240.049 188.401 2.000 2.000 2.000 8.442 45.051 110.177 1577.079 4956.096 1521.797 5.538 3.950 5.917 22.762 81.546 47.791 382 384 239 241 187 189 5.421113e+08 0.000000e+00 1.164802e+10 0.00000 1 50.H;50.CA;50.N 0 0 0
848 322.113 165.890 98.054 2.000 2.000 2.000 8.864 55.197 122.176 1323.919 3424.989 792.022 6.708 7.950 5.722 27.570 164.144 46.220 321 323 164 166 97 99 2.134425e+07 0.000000e+00 4.963707e+08 0.00000 1 142.H;142.CA;142.N 0 0 0
850 454.327 115.142 66.496 2.000 2.000 2.000 7.959 62.139 126.367 1867.336 2377.239 537.114 6.267 5.989 6.145 25.759 123.649 49.639 453 455 114 116 65 67 2.652701e+06 0.000000e+00 6.050977e+07 0.00000 1 163.H;162.CA;163.N 0 0 0
852 322.281 169.776 98.641 2.000 2.000 2.000 8.863 54.665 122.098 1324.610 3505.216 796.766 6.239 9.324 8.317 25.642 192.503 67.176 321 323 168 170 97 99 1.917813e+07 0.000000e+00 4.820767e+08 0.00000 1 142.H;141.CA;142.N 0 0 0
853 438.829 147.262 150.016 2.000 2.000 2.000 8.065 57.745 115.275 1803.637 3040.382 1211.747 6.013 5.312 5.771 24.712 109.677 46.614 437 439 146 148 149 151 1.188086e+08 0.000000e+00 2.727186e+09 0.00000 1 38.H;38.CA;38.N 0 0 0
854 455.229 159.786 187.959 2.000 2.000 2.000 7.953 56.032 110.236 1871.043 3298.962 1518.231 7.399 4.734 5.461 30.410 97.737 44.109 454 456 158 160 186 188 5.537158e+06 0.000000e+00 1.254764e+08 0.00000 1 91.H;90.CA;91.N 0 0 0
855 379.956 351.120 73.974 2.000 2.000 2.000 8.468 29.856 125.374 1561.662 7249.277 597.519 5.461 5.883 6.047 22.447 121.465 48.842 378 380 350 352 72 74 -8.991708e+07 0.000000e+00 -2.085187e+09 0.00000 1 36.H;36.CB;36.N 0 0 0
856 378.787 157.046 81.394 2.000 2.000 2.000 8.476 56.407 124.389 1556.858 3242.399 657.453 5.430 5.105 6.307 22.316 105.398 50.947 377 379 156 158 80 82 2.749547e+07 0.000000e+00 5.830513e+08 0.00000 1 22.H;21.CA;22.N 0 0 0
857 321.157 160.968 76.368 2.000 2.000 2.000 8.871 55.870 125.056 1319.992 3323.370 616.860 7.639 4.879 11.249 31.398 100.728 90.866 320 322 159 161 75 77 9.069127e+06 0.000000e+00 2.199959e+08 0.00000 1 60.H;60.CA;60.N 0 0 0
858 323.311 170.421 76.368 2.000 2.000 2.000 8.856 54.577 125.056 1328.845 3518.530 616.860 7.574 5.297 13.683 31.131 109.366 110.520 322 324 169 171 75 77 5.550736e+06 0.000000e+00 1.372619e+08 0.00000 1 60.H;59.CA;60.N 0 0 0
859 556.729 159.472 193.237 2.000 2.000 2.000 7.257 56.075 109.535 2288.219 3292.483 1560.860 3.800 3.607 6.166 15.617 74.469 49.807 555 557 158 160 192 194 -1.812226e+06 0.000000e+00 -3.684837e+07 0.00000 1 90.HD21;90.CA;90.ND2 0 0 0
860 664.560 318.964 184.097 2.000 2.000 2.000 6.519 34.255 110.749 2731.417 6585.383 1487.035 3.563 6.031 6.049 14.644 124.517 48.862 663 665 317 319 183 185 3.131902e+06 0.000000e+00 6.636557e+07 0.00000 1 75.HE21;;75.NE2 0 0 0
862 532.993 335.438 183.635 2.000 2.000 2.000 7.420 32.001 110.810 2190.661 6925.498 1483.302 4.244 3.070 4.262 17.443 63.378 34.428 531 533 334 336 182 184 -2.899027e+06 0.000000e+00 -6.163406e+07 0.00000 1 75.HE22;;75.NE2 0 0 0
863 632.085 294.961 175.038 2.000 2.000 2.000 6.741 37.539 111.952 2597.942 6089.814 1413.860 3.961 5.846 5.927 16.282 120.689 47.879 631 633 293 295 174 176 3.237352e+06 0.000000e+00 6.502547e+07 0.00000 1 30.HD22;30.CB;30.ND2 0 0 0
864 600.782 341.196 183.315 2.000 2.000 2.000 6.956 31.214 110.853 2469.283 7044.372 1480.714 3.539 4.796 6.154 14.544 99.009 49.712 599 601 340 342 182 184 -2.479034e+06 0.000000e+00 -4.995074e+07 0.00000 1 109.HE21;109.CB;109.NE2 0 0 0
865 599.966 315.619 184.146 2.000 2.000 2.000 6.961 34.713 110.742 2465.927 6516.322 1487.431 3.835 5.352 9.171 15.763 110.497 74.075 598 600 314 316 183 185 2.966250e+06 0.000000e+00 6.742783e+07 0.00000 1 109.HE21;109.CG;109.NE2 0 0 0
866 664.516 200.527 195.757 2.000 2.000 2.000 6.519 50.458 109.200 2731.236 4140.113 1581.217 3.103 5.128 8.737 12.752 105.865 70.574 663 665 199 201 194 196 -1.655110e+06 0.000000e+00 -3.411041e+07 0.00000 1 26.HD21;26.CA;26.ND2 0 0 0
869 604.981 181.342 176.472 2.000 2.000 2.000 6.927 53.083 111.761 2486.540 3744.013 1425.444 2.535 6.415 5.317 10.420 132.445 42.946 603 605 180 182 175 177 3.427269e+06 0.000000e+00 6.077220e+07 0.00000 1 ;40.CA; 0 0 0
870 604.790 282.780 177.560 2.000 2.000 2.000 6.928 39.205 111.617 2485.756 5838.322 1434.230 2.800 4.748 5.938 11.510 98.028 47.968 603 605 281 283 176 178 -4.009116e+06 0.000000e+00 -7.763626e+07 0.00000 1 ;40.CB; 0 0 0
872 613.206 323.700 176.159 2.000 2.000 2.000 6.871 33.607 111.803 2520.346 6683.152 1422.911 5.189 6.046 5.905 21.328 124.828 47.698 612 614 322 324 175 177 1.194129e+07 0.000000e+00 2.703275e+08 0.00000 1 94.HE21;94.CG;94.NE2 0 0 0
873 658.155 160.642 193.489 2.000 2.000 2.000 6.563 55.915 109.501 2705.090 3316.638 1562.900 4.322 5.918 6.085 17.765 122.182 49.153 657 659 159 161 192 194 -1.903089e+06 0.000000e+00 -3.982545e+07 0.00000 1 90.HD22;90.CA;90.ND2 0 0 0
876 423.827 351.732 93.859 2.000 2.000 2.000 8.168 29.772 122.733 1741.976 7261.919 758.141 7.948 7.604 10.888 32.666 156.984 87.947 422 424 350 352 92 94 -1.069536e+07 0.000000e+00 -2.639488e+08 0.00000 1 68.H;68.CB;68.N 0 0 0
877 364.037 351.850 129.279 2.000 2.000 2.000 8.577 29.756 118.029 1496.232 7264.336 1044.242 5.861 5.168 6.283 24.088 106.693 50.748 363 365 350 352 128 130 -2.828858e+06 0.000000e+00 -6.233693e+07 0.00000 1 69.H;68.CB;69.N 0 0 0
878 606.156 333.368 125.974 2.000 2.000 2.000 6.919 32.285 118.468 2491.370 6882.756 1017.544 5.464 6.680 6.230 22.459 137.915 50.322 605 607 332 334 124 126 -3.343386e+06 0.000000e+00 -7.663334e+07 0.00000 1 75.H;75.CB;75.N 0 0 0
879 605.730 161.263 126.789 2.000 2.000 2.000 6.922 55.830 118.360 2489.619 3329.462 1024.132 5.423 4.838 10.578 22.288 99.896 85.445 604 606 160 162 125 127 2.506715e+06 0.000000e+00 5.835889e+07 0.00000 1 75.H;75.CA;75.N 0 0 0
883 480.448 352.833 99.360 2.000 2.000 2.000 7.780 29.622 122.002 1974.693 7284.633 802.575 6.415 8.930 7.194 26.367 184.377 58.107 479 481 351 353 98 100 -3.078896e+06 0.000000e+00 -7.059756e+07 0.00000 1 161.HE;; 0 0 0
885 514.883 124.497 84.768 2.000 2.000 2.000 7.544 60.860 123.940 2116.228 2570.379 684.709 7.553 4.721 5.484 31.046 97.479 44.295 513 515 123 125 83 85 2.679426e+06 0.000000e+00 5.824736e+07 0.00000 1 80.H;79.CA;80.N 0 0 0
887 300.817 161.786 161.544 2.000 2.000 2.000 9.010 55.758 113.744 1236.392 3340.266 1304.864 5.526 4.942 6.021 22.711 102.034 48.635 299 301 160 162 160 162 6.193093e+06 0.000000e+00 1.384906e+08 0.00000 1 81.H;80.CA;81.N 0 0 0
890 298.294 151.988 77.392 2.000 2.000 2.000 9.027 57.099 124.920 1226.022 3137.960 625.127 8.722 5.169 6.401 35.849 106.724 51.701 297 299 150 152 76 78 4.526646e+06 0.000000e+00 1.028538e+08 0.00000 1 132.H;131.CA;132.N 0 0 0
891 331.022 111.748 57.921 2.000 2.000 2.000 8.803 62.604 127.506 1360.539 2307.162 467.851 6.479 5.245 6.091 26.628 108.287 49.198 330 332 110 112 56 58 1.489011e+07 0.000000e+00 3.416690e+08 0.00000 1 114.H;114.CA;114.N 0 0 0
892 322.752 349.982 101.891 2.000 2.000 2.000 8.860 30.012 121.666 1326.548 7225.784 823.019 5.899 15.826 6.492 24.246 326.736 52.437 321 323 348 350 100 102 -1.542516e+07 0.000000e+00 -3.620770e+08 0.00000 1 127.H;127.CB;127.N 0 0 0
893 361.940 269.967 158.824 2.000 2.000 2.000 8.591 40.958 114.105 1487.615 5573.768 1282.893 5.532 4.555 5.232 22.736 94.047 42.260 360 362 268 270 157 159 -5.499764e+06 0.000000e+00 -1.168893e+08 0.00000 1 126.H;125.CB;126.N 0 0 0
894 590.010 370.666 131.391 2.000 2.000 2.000 7.029 27.182 117.748 2425.007 7652.815 1061.301 7.342 16.151 8.635 30.178 333.465 69.753 589 591 369 371 130 132 -1.569309e+06 0.000000e+00 -4.171121e+07 0.00000 1 74.H;;74.N 0 0 0
898 481.117 250.331 96.669 2.000 2.000 2.000 7.775 43.645 122.360 1977.443 5168.373 780.840 20.017 6.611 5.425 82.270 136.487 43.823 480 482 249 251 95 97 2.780792e+06 0.000000e+00 6.404864e+07 0.00000 1 161.HE;;161.NE 0 0 0
899 480.249 351.379 96.669 2.000 2.000 2.000 7.781 29.820 122.360 1973.876 7254.622 780.840 7.709 9.865 7.479 31.686 203.683 60.408 479 481 350 352 95 97 -2.233658e+06 0.000000e+00 -5.766543e+07 0.00000 1 161.HE;161.CG;161.NE 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 . 'not observed' 14 ppm . . . 4.76 . . 31080 9
2 . . C 13 C . 'not observed' 70 ppm . . . 40 . . 31080 9
3 . . N 15 N . 'not observed' 34 ppm . . . 118 . . 31080 9
stop_
save_