Content for NMR-STAR saveframe, "spectral_peak_list_4"
save_spectral_peak_list_4
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_4
_Spectral_peak_list.Entry_ID 31080
_Spectral_peak_list.ID 3
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 6
_Spectral_peak_list.Experiment_name '3D CBCA(CO)NH'
_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 1 802 11.066ppm 5.562ppm
DATA Y_AXIS 13C 1 512 80.776ppm 10.867ppm
DATA Z_AXIS 15N 1 512 135.066ppm 101.133ppm
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
7 289.759 61.221 259.665 0.147 0.111 0.498 9.082 72.537 117.889 1194.965 1263.980 1048.713 1.470 0.255 2.331 6.062 5.261 9.413 281 297 55 67 246 272 1.261200e+07 7.872272e+04 3.842899e+09 0.00000 1 153.H;152.CB;153.N 0 0 0
9 317.554 67.273 188.600 0.152 0.114 0.498 8.891 71.709 122.608 1309.594 1388.937 761.704 1.331 0.249 2.286 5.489 5.132 9.232 309 325 61 73 175 201 1.296268e+07 7.978877e+04 3.822778e+09 0.00000 1 82.H;81.CB;82.N 0 0 0
16 511.833 80.263 167.638 0.058 0.067 0.290 7.556 69.932 124.000 2110.798 1657.111 677.042 1.305 0.256 2.360 5.383 5.284 9.533 503 519 73 87 153 181 2.273267e+07 7.894891e+04 7.337357e+09 0.00000 1 80.H;79.CB;80.N 0 0 0
17 452.312 80.416 254.936 0.032 0.045 0.128 7.965 69.911 118.203 1865.336 1660.280 1029.616 1.306 0.261 2.371 5.384 5.395 9.577 444 460 72 88 240 268 4.525098e+07 7.941568e+04 1.462952e+10 0.00000 1 30.H;29.CB;30.N 0 0 0
21 451.439 83.318 132.971 0.092 0.070 0.205 7.971 69.514 126.302 1861.735 1720.193 537.035 1.385 0.268 2.288 5.711 5.529 9.241 443 459 75 91 118 146 2.645455e+07 7.986398e+04 8.747434e+09 0.00000 1 163.H;162.CB;163.N 0 0 0
24 355.974 86.585 244.831 0.232 0.320 0.867 8.627 69.067 118.874 1468.034 1787.652 988.805 1.537 0.264 2.305 6.339 5.455 9.308 345 365 81 91 234 254 6.452648e+06 7.905291e+04 2.149165e+09 0.00000 1 73.H;72.CB;73.N 0 0 0
33 312.752 97.374 291.425 0.072 0.072 0.253 8.924 67.591 115.780 1289.789 2010.401 1176.983 1.524 0.257 2.294 6.285 5.314 9.266 304 320 90 104 277 305 2.585781e+07 7.930828e+04 9.102843e+09 0.00000 1 144.H;143.CB;144.N 0 0 0
38 235.041 99.618 288.849 0.011 0.023 0.064 9.458 67.284 115.951 969.307 2056.731 1166.582 1.238 0.266 2.309 5.104 5.482 9.324 227 243 91 107 274 302 8.710450e+07 7.893659e+04 2.708667e+10 0.00000 1 33.H;32.CB;33.N 0 0 0
39 479.672 100.817 265.432 0.058 0.051 0.270 7.777 67.120 117.506 1978.164 2081.481 1072.007 1.252 0.254 2.360 5.162 5.242 9.533 471 487 92 108 251 279 2.594436e+07 7.938629e+04 8.264331e+09 0.00000 1 94.H;93.CA;94.N 0 0 0
41 321.629 104.318 201.687 0.064 0.059 0.217 8.863 66.641 121.739 1326.398 2153.769 814.556 1.358 0.253 2.301 5.599 5.214 9.294 313 329 97 111 187 215 2.800429e+07 7.948691e+04 8.873238e+09 0.00000 1 127.H;126.CB;127.N 0 0 0
43 452.749 103.770 341.813 0.017 0.019 0.070 7.962 66.716 112.434 1867.136 2142.451 1380.486 1.227 0.262 2.303 5.061 5.408 9.300 444 460 95 111 327 355 7.991597e+07 7.906712e+04 2.426586e+10 0.00000 1 20.H;19.CB;20.N 0 0 0
48 197.204 107.476 224.004 0.119 0.123 0.297 9.718 66.209 120.257 813.267 2218.964 904.691 1.556 0.261 2.286 6.418 5.382 9.232 187 207 100 114 210 238 1.802644e+07 7.948651e+04 6.739477e+09 0.00000 1 59.H;58.CB;59.N 0 0 0
49 312.461 106.701 291.711 0.356 0.133 0.800 8.926 66.315 115.761 1288.589 2202.967 1178.138 1.513 0.212 2.418 6.238 4.372 9.764 304 320 101 111 280 302 8.477196e+06 8.024240e+04 2.286990e+09 0.00000 1 144.H;143.CA;144.N 0 0 0
50 556.364 108.675 272.631 0.386 0.201 0.752 7.250 66.045 117.028 2294.445 2243.714 1101.079 1.829 0.251 2.266 7.545 5.191 9.150 546 566 103 113 261 283 8.125980e+06 7.919283e+04 2.955037e+09 0.00000 1 134.H;133.CA;134.N 0 0 0
52 164.751 109.537 152.067 0.120 0.160 0.446 9.941 65.927 125.034 679.433 2261.522 614.154 1.431 0.253 2.354 5.900 5.225 9.507 156 172 102 116 138 166 1.284517e+07 7.954109e+04 4.329807e+09 0.00000 1 112.H;111.CB;112.N 0 0 0
53 307.659 110.107 243.084 0.046 0.032 0.142 8.959 65.849 118.990 1268.783 2273.293 981.750 1.282 0.255 2.292 5.285 5.270 9.257 299 315 102 118 229 257 3.791703e+07 7.916439e+04 1.177564e+10 0.00000 1 72.H;71.CB;72.N 0 0 0
62 480.836 114.405 480.463 0.089 0.127 0.431 7.769 65.261 103.227 1982.966 2362.030 1940.456 1.424 0.260 2.300 5.874 5.375 9.288 472 488 107 121 467 493 1.570620e+07 7.937745e+04 5.191715e+09 0.00000 1 148.H;147.CB;148.N 0 0 0
68 375.765 118.893 369.808 0.005 0.005 0.024 8.491 64.647 110.575 1549.655 2454.692 1493.551 1.268 0.264 2.307 5.229 5.448 9.318 367 383 110 126 355 383 2.317661e+08 7.837095e+04 7.364480e+10 0.00000 1 39.H;38.CB;39.N 0 0 0
70 341.857 120.735 350.186 0.018 0.023 0.081 8.724 64.395 111.878 1409.819 2492.722 1414.302 1.324 0.262 2.320 5.462 5.405 9.368 333 349 112 128 336 364 6.959645e+07 7.862842e+04 2.276545e+10 0.00000 1 10.H;9.CA;10.N 0 0 0
72 474.433 122.336 373.091 0.039 0.039 0.125 7.813 64.176 110.357 1956.559 2525.772 1506.809 1.284 0.257 2.328 5.293 5.305 9.403 466 482 114 130 359 387 4.528089e+07 7.963272e+04 1.404158e+10 0.00000 1 99.H;98.CB;99.N 0 0 0
74 423.207 124.025 188.013 0.088 0.064 0.424 8.165 63.945 122.647 1745.305 2560.633 759.332 1.279 0.231 2.469 5.274 4.771 9.973 415 431 118 130 174 202 1.453376e+07 7.963350e+04 4.358965e+09 0.00000 1 68.H;67.CB;68.N 0 0 0
75 297.908 123.608 212.785 0.037 0.071 0.211 9.026 64.002 121.002 1228.573 2552.031 859.381 1.227 0.261 2.316 5.059 5.391 9.355 289 305 116 130 198 226 2.729748e+07 7.910005e+04 8.302123e+09 0.00000 1 97.H;96.CA;97.N 0 0 0
78 395.411 124.368 263.746 0.006 0.005 0.015 8.356 63.898 117.618 1630.676 2567.726 1065.195 1.403 0.267 2.280 5.786 5.504 9.210 387 403 116 132 249 277 3.848852e+08 7.982919e+04 1.314302e+11 0.00000 1 43.H;42.CB;43.N 0 0 0
83 388.572 124.025 367.549 0.003 0.002 0.012 8.403 63.945 110.725 1602.469 2560.633 1484.428 1.198 0.270 2.308 4.941 5.575 9.321 380 396 116 132 353 381 5.912241e+08 7.957252e+04 1.833773e+11 0.00000 1 44.H;43.CB;44.N 0 0 0
86 265.310 125.129 113.831 0.130 0.067 0.291 9.250 63.794 127.573 1094.139 2583.421 459.732 1.600 0.258 2.287 6.597 5.327 9.235 255 275 118 132 99 127 1.863824e+07 7.844045e+04 6.951618e+09 0.00000 1 150.H;149.CA;150.N 0 0 0
87 382.168 124.653 259.123 0.003 0.006 0.016 8.447 63.859 117.925 1576.062 2573.612 1046.524 1.276 0.269 2.296 5.264 5.553 9.273 374 390 116 132 245 273 3.293241e+08 7.877649e+04 1.066273e+11 0.00000 1 42.H;41.CB;42.N 0 0 0
89 609.045 125.180 299.828 0.043 0.052 0.211 6.888 63.787 115.222 2511.700 2584.478 1210.920 1.353 0.260 2.312 5.578 5.374 9.339 601 617 117 133 285 313 2.622915e+07 7.832415e+04 8.990364e+09 0.00000 1 109.H;108.CB;109.N 0 0 0
91 409.382 127.212 301.710 0.380 0.215 0.877 8.260 63.509 115.097 1688.290 2626.432 1218.523 1.576 0.267 2.351 6.500 5.505 9.494 399 419 122 132 291 311 7.064082e+06 7.891395e+04 2.266394e+09 0.00000 1 139.H;138.CA;139.N 0 0 0
92 457.697 126.722 337.852 0.016 0.017 0.058 7.928 63.576 112.697 1887.541 2616.321 1364.491 1.343 0.258 2.293 5.537 5.324 9.262 449 465 118 134 323 351 9.460014e+07 7.887198e+04 3.037935e+10 0.00000 1 19.H;18.CB;19.N 0 0 0
94 273.169 128.440 219.682 0.054 0.063 0.202 9.196 63.341 120.544 1126.547 2651.785 887.236 1.458 0.250 2.304 6.011 5.154 9.305 265 281 121 135 205 233 3.058979e+07 7.948016e+04 1.023289e+10 0.00000 1 66.H;65.CB;66.N 0 0 0
95 490.586 127.979 370.410 0.093 0.070 0.415 7.702 63.404 110.535 2023.176 2642.278 1495.983 1.199 0.255 2.341 4.946 5.270 9.454 482 498 120 134 356 384 1.629192e+07 7.949448e+04 4.841678e+09 0.00000 1 155.H;154.CB;155.N 0 0 0
96 548.215 127.826 410.076 0.042 0.031 0.123 7.306 63.425 107.901 2260.836 2639.109 1656.183 1.447 0.260 2.299 5.969 5.368 9.286 540 556 119 135 396 424 4.329572e+07 7.853773e+04 1.483498e+10 0.00000 1 29.H;28.CA;29.N 0 0 0
101 496.116 132.416 215.270 0.027 0.043 0.136 7.664 62.797 120.837 2045.982 2733.883 869.416 1.297 0.251 2.303 5.349 5.186 9.303 488 504 124 140 201 229 4.385363e+07 7.935555e+04 1.372464e+10 0.00000 1 106.H;105.CB;106.N 0 0 0
102 362.668 132.614 44.649 0.083 0.108 0.367 8.581 62.770 132.167 1495.641 2737.957 180.325 1.210 0.258 2.327 4.989 5.319 9.399 354 370 124 140 30 58 1.757796e+07 7.985820e+04 5.625970e+09 0.00000 1 116.H;115.CB;116.N 0 0 0
103 134.482 133.271 166.132 0.418 0.151 0.546 10.149 62.680 124.100 554.601 2751.540 670.960 1.850 0.256 2.306 7.630 5.290 9.313 124 144 127 139 154 178 1.016252e+07 7.917234e+04 3.958724e+09 0.00000 1 115.H;114.CB;115.N 0 0 0
104 358.157 132.913 183.570 0.032 0.028 0.164 8.612 62.729 122.942 1477.037 2744.145 741.390 1.397 0.258 2.356 5.761 5.317 9.515 350 366 124 140 169 197 4.156192e+07 7.849435e+04 1.426596e+10 0.00000 1 53.H;52.CA;53.N 0 0 0
105 304.894 132.533 279.603 0.042 0.073 0.225 8.978 62.781 116.565 1257.381 2736.297 1129.239 1.298 0.256 2.308 5.353 5.283 9.322 296 312 125 139 265 293 2.944007e+07 8.005132e+04 9.119140e+09 0.00000 1 104.H;103.CA;104.N 0 0 0
107 292.233 134.039 211.927 0.089 0.056 0.301 9.065 62.575 121.059 1205.167 2767.385 855.914 1.365 0.242 2.318 5.630 4.988 9.360 284 300 128 140 197 225 1.797096e+07 7.853133e+04 5.130753e+09 0.00000 1 71.H;70.CA;71.N 0 0 0
108 344.914 134.200 244.334 0.039 0.053 0.237 8.703 62.553 118.907 1422.423 2770.706 986.798 1.265 0.263 2.356 5.215 5.420 9.517 336 352 126 142 230 258 2.669201e+07 7.844766e+04 8.723630e+09 0.00000 1 90.H;89.CA;90.N 0 0 0
111 322.357 135.062 141.525 0.118 0.069 0.440 8.858 62.435 125.734 1329.399 2788.513 571.580 1.439 0.247 2.318 5.933 5.094 9.362 314 330 129 141 128 154 1.551886e+07 7.885488e+04 4.899521e+09 0.00000 1 159.H;158.CA;159.N 0 0 0
113 350.298 134.799 193.901 0.023 0.022 0.092 8.666 62.471 122.256 1444.628 2783.081 783.112 1.239 0.257 2.378 5.110 5.297 9.605 342 358 126 142 179 207 6.279740e+07 7.903877e+04 1.969771e+10 0.00000 1 23.H;22.CA;23.N 0 0 0
120 451.439 137.123 133.227 0.119 0.062 0.294 7.971 62.153 126.285 1861.735 2831.071 538.068 1.349 0.251 2.273 5.562 5.175 9.181 443 459 130 144 119 147 1.936952e+07 7.967692e+04 6.225982e+09 0.00000 1 163.H;162.CA;163.N 0 0 0
127 437.614 138.542 299.466 0.017 0.023 0.073 8.066 61.959 115.246 1804.720 2860.348 1209.460 1.247 0.263 2.327 5.142 5.426 9.400 429 445 130 146 285 313 9.878031e+07 8.056291e+04 3.080465e+10 0.00000 1 38.H;37.CA;38.N 0 0 0
130 280.591 140.047 145.576 0.270 0.118 0.889 9.145 61.753 125.465 1157.155 2891.437 587.941 1.440 0.246 2.533 5.938 5.083 10.231 272 288 134 146 132 158 9.012675e+06 7.930329e+04 3.146424e+09 0.00000 1 63.H;62.CA;63.N 0 0 0
131 422.916 139.397 187.953 0.153 0.380 0.612 8.167 61.842 122.651 1744.105 2878.005 759.088 1.459 0.296 2.315 6.017 6.110 9.349 415 429 134 144 175 199 9.056123e+06 7.989796e+04 2.302674e+09 0.00000 1 68.H;67.CA;68.N 0 0 0
133 490.877 139.872 370.591 0.150 0.145 0.772 7.700 61.777 110.523 2024.376 2887.815 1496.713 1.324 0.255 2.317 5.459 5.262 9.359 484 496 134 144 359 381 8.336850e+06 7.830802e+04 1.893404e+09 0.00000 1 155.H;154.CA;155.N 0 0 0
134 362.668 141.400 44.694 0.130 0.187 0.723 8.581 61.568 132.164 1495.641 2919.356 180.508 1.149 0.239 2.357 4.737 4.926 9.520 357 367 135 147 33 55 8.888837e+06 7.982187e+04 1.846368e+09 0.00000 1 116.H;115.CA;116.N 0 0 0
135 287.867 141.122 110.322 0.054 0.059 0.300 9.095 61.606 127.806 1187.163 2913.621 445.561 1.323 0.256 2.341 5.454 5.287 9.454 279 295 134 148 96 124 2.059145e+07 7.842657e+04 6.552181e+09 0.00000 1 151.H;150.CA;151.N 0 0 0
139 496.116 142.723 215.360 0.076 0.062 0.415 7.664 61.387 120.831 2045.982 2946.671 869.781 1.335 0.207 2.394 5.504 4.275 9.669 488 504 137 147 201 229 1.631144e+07 7.912123e+04 3.982457e+09 0.00000 1 106.H;105.CA;106.N 0 0 0
140 452.312 143.256 254.891 0.040 0.042 0.152 7.965 61.314 118.206 1865.336 2957.688 1029.433 1.293 0.258 2.332 5.331 5.336 9.420 444 460 135 151 240 268 3.667367e+07 7.894620e+04 1.165783e+10 0.00000 1 30.H;29.CA;30.N 0 0 0
142 592.455 143.695 239.169 0.099 0.086 0.293 7.002 61.254 119.250 2443.283 2966.743 965.937 1.375 0.263 2.356 5.672 5.427 9.514 584 600 136 150 225 253 2.018508e+07 7.933980e+04 6.762133e+09 0.00000 1 140.H;139.CA;140.N 0 0 0
143 317.700 145.142 188.856 0.122 0.091 0.418 8.890 61.056 122.591 1310.194 2996.624 762.738 1.283 0.251 2.308 5.290 5.173 9.322 309 325 139 151 175 201 1.323767e+07 7.887441e+04 3.947455e+09 0.00000 1 82.H;81.CA;82.N 0 0 0
144 343.604 144.901 189.052 0.158 0.113 0.529 8.712 61.089 122.578 1417.021 2991.644 763.528 1.276 0.265 2.432 5.263 5.462 9.821 335 351 138 150 175 203 1.144767e+07 7.941815e+04 3.769115e+09 0.00000 1 135.H;134.CA;135.N 0 0 0
145 608.754 145.296 299.752 0.088 0.102 0.342 6.890 61.035 115.227 2510.500 2999.793 1210.616 1.382 0.265 2.290 5.700 5.478 9.248 600 616 138 152 285 313 1.663298e+07 7.880622e+04 5.658146e+09 0.00000 1 109.H;108.CA;109.N 0 0 0
146 327.014 146.158 94.601 0.083 0.098 0.520 8.826 60.917 128.850 1348.604 3017.601 382.065 1.316 0.262 2.421 5.427 5.403 9.777 319 335 140 152 81 107 1.347301e+07 7.807834e+04 4.295841e+09 0.00000 1 160.H;159.CA;160.N 0 0 0
147 273.023 145.624 219.351 0.069 0.100 0.405 9.197 60.990 120.566 1125.947 3006.584 885.898 1.289 0.237 2.333 5.316 4.902 9.424 265 281 140 150 206 232 1.579303e+07 7.938339e+04 4.401972e+09 0.00000 1 66.H;65.CA;66.N 0 0 0
148 420.733 145.836 281.019 0.167 0.109 0.498 8.182 60.961 116.471 1735.102 3010.961 1134.956 1.458 0.247 2.328 6.014 5.095 9.404 412 428 139 151 269 293 1.088260e+07 7.844158e+04 3.454894e+09 0.00000 1 79.H;78.CA;79.N 0 0 0
151 511.542 146.765 167.849 0.097 0.070 0.291 7.558 60.834 123.986 2109.598 3030.127 677.894 1.353 0.249 2.337 5.579 5.135 9.438 503 519 139 153 153 181 1.969323e+07 7.911438e+04 6.225274e+09 0.00000 1 80.H;79.CA;80.N 0 0 0
152 457.115 146.575 201.370 0.046 0.085 0.262 7.932 60.860 121.760 1885.141 3026.203 813.279 1.284 0.266 2.351 5.293 5.499 9.495 449 465 139 153 187 215 2.512063e+07 7.902542e+04 8.211533e+09 0.00000 1 84.H;83.CA;84.N 0 0 0
156 289.759 147.635 259.153 0.121 0.139 0.458 9.082 60.715 117.923 1194.965 3048.086 1046.645 1.374 0.250 2.328 5.667 5.171 9.403 281 297 140 154 246 272 1.238562e+07 7.916509e+04 4.068536e+09 0.00000 1 153.H;152.CA;153.N 0 0 0
157 440.088 148.490 289.136 0.029 0.083 0.191 8.049 60.598 115.932 1814.923 3065.742 1167.738 1.219 0.286 2.463 5.029 5.907 9.947 432 448 140 156 275 303 3.292393e+07 7.898924e+04 1.064425e+10 0.00000 1 105.H;104.CA;105.N 0 0 0
159 252.940 148.534 247.256 0.079 0.132 0.372 9.335 60.592 118.713 1043.126 3066.648 998.597 1.462 0.267 2.406 6.029 5.512 9.716 244 260 141 155 233 261 1.724806e+07 7.916651e+04 6.244552e+09 0.00000 1 136.H;135.CA;136.N 0 0 0
160 369.799 149.330 253.340 0.040 0.053 0.189 8.532 60.483 118.309 1525.049 3083.098 1023.169 1.250 0.261 2.314 5.156 5.385 9.345 361 377 141 157 239 267 3.328281e+07 7.927173e+04 1.039585e+10 0.00000 1 83.H;82.CA;83.N 0 0 0
169 329.488 152.123 114.238 0.182 0.089 0.444 8.809 60.101 127.546 1358.806 3140.747 461.374 1.445 0.251 2.322 5.958 5.175 9.376 321 337 146 158 101 127 1.326021e+07 7.923828e+04 3.998781e+09 0.00000 1 114.H;113.CA;114.N 0 0 0
170 168.535 152.327 158.090 0.193 0.142 0.442 9.915 60.073 124.634 695.037 3144.972 638.482 1.436 0.257 2.282 5.924 5.315 9.216 160 176 146 158 146 170 1.219623e+07 7.945069e+04 3.706742e+09 0.00000 1 157.H;156.CA;157.N 0 0 0
173 457.697 151.896 337.702 0.026 0.018 0.100 7.928 60.132 112.707 1887.541 3136.068 1363.882 1.357 0.244 2.308 5.595 5.032 9.322 449 465 143 159 323 351 5.964540e+07 7.870130e+04 1.822531e+10 0.00000 1 19.H;18.CA;19.N 0 0 0
180 426.263 153.848 354.884 0.032 0.036 0.151 8.144 59.865 111.566 1757.908 3176.362 1433.278 1.222 0.260 2.306 5.039 5.372 9.315 418 434 145 161 340 368 3.586009e+07 7.860177e+04 1.089877e+10 0.00000 1 98.H;97.CA;98.N 0 0 0
182 423.062 155.178 227.257 0.056 0.052 0.290 8.166 59.683 120.041 1744.705 3203.829 917.829 1.413 0.243 2.443 5.829 5.007 9.868 415 431 148 162 213 241 2.235887e+07 7.824013e+04 7.386549e+09 0.00000 1 96.H;95.CA;96.N 0 0 0
184 481.418 156.253 208.207 0.075 0.056 0.214 7.765 59.536 121.306 1985.366 3226.013 840.891 1.354 0.253 2.279 5.585 5.231 9.206 473 489 149 163 194 222 2.619898e+07 7.944191e+04 8.239888e+09 0.00000 1 88.H;87.CA;88.N 0 0 0
185 370.090 155.807 250.433 0.211 0.106 3.170 8.530 59.597 118.502 1526.249 3216.807 1011.431 1.028 0.131 2.753 4.238 2.702 11.120 369 371 154 156 246 254 -3.396200e+06 8.099479e+04 -3.057872e+07 0.00000 1 83.H;;83.N 0 0 0
191 446.346 157.217 260.372 0.413 0.276 1.746 8.006 59.404 117.842 1840.729 3245.934 1051.572 1.422 0.235 2.508 5.866 4.848 10.128 443 449 154 160 253 267 4.259046e+06 7.814663e+04 4.021470e+08 0.00000 1 77.H;76.CA;77.N 0 0 0
193 474.433 157.181 373.061 0.059 0.042 0.191 7.813 59.409 110.359 1956.559 3245.179 1506.688 1.297 0.245 2.327 5.348 5.063 9.399 466 482 150 164 359 387 2.886317e+07 7.909964e+04 8.659032e+09 0.00000 1 99.H;98.CA;99.N 0 0 0
196 401.378 157.861 269.995 0.028 0.024 0.102 8.315 59.316 117.203 1655.282 3259.214 1090.436 1.288 0.278 2.468 5.310 5.738 9.968 393 409 149 165 255 283 6.065407e+07 7.894459e+04 2.758003e+10 0.00000 1 35.H;34.CA;35.N 0 0 0
197 480.545 157.795 480.282 0.187 0.096 0.429 7.771 59.325 103.239 1981.765 3257.856 1939.726 1.547 0.250 2.295 6.378 5.168 9.269 470 490 151 163 467 493 1.367072e+07 7.892849e+04 4.568808e+09 0.00000 1 148.H;147.CA;148.N 0 0 0
199 436.159 158.628 223.553 0.045 0.066 0.284 8.076 59.211 120.287 1798.719 3275.060 902.867 1.280 0.254 2.367 5.280 5.244 9.561 428 444 151 165 209 237 2.738693e+07 7.971916e+04 8.790307e+09 0.00000 1 95.H;94.CA;95.N 0 0 0
200 352.044 159.754 196.642 0.038 0.052 0.224 8.654 59.057 122.074 1451.830 3298.301 794.181 1.281 0.254 2.310 5.284 5.244 9.331 344 360 152 166 182 210 2.789399e+07 7.877688e+04 8.503515e+09 0.00000 1 85.H;84.CA;85.N 0 0 0
201 537.882 160.046 313.065 0.021 0.022 0.100 7.377 59.017 114.343 2218.226 3304.337 1264.381 1.248 0.263 2.339 5.147 5.426 9.446 529 545 152 168 299 327 5.490119e+07 7.834259e+04 1.714371e+10 0.00000 1 101.H;100.CA;101.N 0 0 0
203 418.696 160.624 211.897 0.086 0.084 0.273 8.196 58.938 121.061 1726.700 3316.260 855.792 1.355 0.248 2.324 5.587 5.129 9.387 410 426 153 167 197 225 2.069462e+07 7.990745e+04 6.771271e+09 0.00000 1 56.H;55.CA;56.N 0 0 0
204 356.992 162.590 244.410 0.054 0.155 0.538 8.620 58.669 118.902 1472.235 3356.856 987.103 1.185 0.261 2.695 4.886 5.399 10.886 348 364 155 169 229 259 1.712814e+07 8.065054e+04 7.029150e+09 0.00000 1 93.H;92.CA;93.N 0 0 0
205 382.168 162.261 259.077 0.006 0.010 0.031 8.447 58.714 117.928 1576.062 3350.064 1046.341 1.281 0.272 2.300 5.282 5.616 9.289 374 390 154 170 245 273 1.731726e+08 7.851088e+04 5.725638e+10 0.00000 1 42.H;41.CA;42.N 0 0 0
209 395.411 162.948 263.731 0.011 0.007 0.031 8.356 58.620 117.619 1630.676 3364.250 1065.135 1.374 0.274 2.296 5.666 5.649 9.273 387 403 154 170 249 277 1.882308e+08 7.892373e+04 6.604122e+10 0.00000 1 43.H;42.CA;43.N 0 0 0
210 350.880 162.751 332.868 0.020 0.023 0.083 8.662 58.647 113.028 1447.029 3360.176 1344.359 1.345 0.261 2.303 5.546 5.392 9.301 342 358 154 170 318 346 6.580886e+07 7.858275e+04 2.153545e+10 0.00000 1 18.H;17.CA;18.N 0 0 0
211 131.571 162.999 338.364 0.236 0.104 0.587 10.169 58.613 112.663 542.598 3365.307 1366.558 1.458 0.255 2.320 6.012 5.265 9.370 123 139 156 168 326 350 1.086904e+07 7.925823e+04 3.563879e+09 0.00000 1 128.H;127.CA;128.N 0 0 0
213 388.572 162.729 367.564 0.005 0.006 0.023 8.403 58.650 110.724 1602.469 3359.723 1484.488 1.187 0.272 2.307 4.893 5.607 9.316 382 394 154 170 353 381 2.954748e+08 7.988366e+04 8.249899e+10 0.00000 1 44.H;43.CA;44.N 0 0 0
218 452.604 165.061 341.888 0.028 0.023 0.101 7.963 58.331 112.429 1866.536 3407.864 1380.790 1.228 0.265 2.302 5.064 5.463 9.296 444 460 157 173 327 355 5.358183e+07 7.893724e+04 1.625151e+10 0.00000 1 20.H;19.CA;20.N 0 0 0
224 307.368 166.413 242.572 0.100 0.144 0.511 8.961 58.146 119.024 1267.583 3435.784 979.682 1.213 0.263 2.420 5.001 5.428 9.774 299 315 159 173 228 256 1.464134e+07 8.072824e+04 4.572698e+09 0.00000 1 72.H;71.CA;72.N 0 0 0
225 587.798 165.609 260.237 0.084 0.094 0.301 7.034 58.256 117.851 2424.078 3419.183 1051.024 1.468 0.253 2.319 6.054 5.227 9.366 579 595 158 172 246 274 1.954550e+07 7.915496e+04 6.607392e+09 0.00000 1 74.H;73.CA;74.N 0 0 0
227 299.946 167.400 259.755 0.104 0.123 0.407 9.012 58.011 117.883 1236.975 3456.157 1049.078 1.609 0.259 2.426 6.635 5.350 9.796 289 309 160 174 245 273 1.580933e+07 7.884674e+04 6.839397e+09 0.00000 1 130.H;129.CA;130.N 0 0 0
231 294.561 167.655 332.717 0.139 0.112 0.390 9.049 57.976 113.038 1214.770 3461.439 1343.751 1.445 0.257 2.329 5.961 5.309 9.406 286 302 160 174 318 346 1.574797e+07 7.937982e+04 5.330421e+09 0.00000 1 152.H;151.CA;152.N 0 0 0
234 484.183 168.518 163.406 0.046 0.069 0.200 7.746 57.858 124.281 1996.769 3479.247 659.952 1.331 0.262 2.298 5.487 5.402 9.280 476 492 161 175 149 177 3.311032e+07 8.004861e+04 1.043487e+10 0.00000 1 118.H;117.CA;118.N 0 0 0
235 442.126 169.417 224.230 0.049 0.090 0.266 8.035 57.735 120.242 1823.325 3497.809 905.604 1.265 0.258 2.311 5.216 5.317 9.333 434 450 162 176 210 238 2.197778e+07 7.943559e+04 6.875194e+09 0.00000 1 89.H;88.CA;89.N 0 0 0
236 400.796 169.234 475.689 0.079 0.091 0.397 8.319 57.760 103.544 1652.881 3494.036 1921.176 1.331 0.254 2.333 5.489 5.237 9.423 392 408 162 176 462 488 1.544673e+07 7.865150e+04 4.948010e+09 0.00000 1 120.H;119.CA;120.N 0 0 0
240 428.155 170.148 337.927 0.055 0.048 0.224 8.131 57.635 112.692 1765.710 3512.901 1364.795 1.366 0.246 2.303 5.633 5.080 9.300 420 436 163 177 323 351 2.382869e+07 7.862334e+04 7.770320e+09 0.00000 1 110.H;109.CA;110.N 0 0 0
241 375.911 170.075 369.868 0.011 0.011 0.050 8.490 57.645 110.571 1550.255 3511.391 1493.794 1.287 0.256 2.305 5.306 5.287 9.308 367 383 162 178 355 383 1.078756e+08 7.836282e+04 3.313741e+10 0.00000 1 39.H;38.CA;39.N 0 0 0
244 332.689 171.442 188.691 0.079 0.110 0.311 8.787 57.458 122.602 1372.010 3539.612 762.069 1.237 0.263 2.299 5.100 5.434 9.284 324 340 164 178 174 202 1.990041e+07 8.000920e+04 6.024634e+09 0.00000 1 107.H;106.CA;107.N 0 0 0
245 492.769 170.923 237.648 0.049 0.050 0.255 7.687 57.529 119.351 2032.178 3528.898 959.794 1.220 0.263 2.327 5.030 5.429 9.400 484 500 162 178 223 251 2.467604e+07 7.891253e+04 7.679637e+09 0.00000 1 87.H;86.CA;87.N 0 0 0
247 468.175 171.223 356.782 0.074 0.089 0.358 7.856 57.488 111.440 1930.752 3535.085 1440.941 1.293 0.255 2.300 5.331 5.274 9.288 460 476 164 178 343 369 1.565852e+07 7.850991e+04 4.688591e+09 0.00000 1 111.H;110.CA;111.N 0 0 0
248 235.477 172.005 157.925 0.056 0.030 0.140 9.455 57.381 124.645 971.108 3551.233 637.813 1.395 0.259 2.323 5.751 5.348 9.384 227 243 164 180 143 171 3.925656e+07 7.900517e+04 1.331885e+10 0.00000 1 25.H;24.CA;25.N 0 0 0
251 577.912 172.146 244.137 0.085 0.084 0.409 7.102 57.362 118.920 2383.307 3554.157 986.001 1.354 0.255 2.370 5.585 5.260 9.570 569 585 166 178 231 257 1.347010e+07 0.000000e+00 4.373808e+09 0.00000 1 137.H;136.CA;137.N 0 0 0
253 165.624 173.481 151.253 0.262 0.363 1.024 9.935 57.179 125.088 683.034 3581.717 610.870 1.210 0.264 2.416 4.988 5.451 9.759 159 171 168 178 140 162 6.537752e+06 8.052452e+04 1.573529e+09 0.00000 1 112.H;111.CA;112.N 0 0 0
254 187.017 172.546 221.008 0.023 0.045 0.110 9.788 57.307 120.456 771.257 3562.400 892.588 1.294 0.265 2.307 5.335 5.472 9.316 179 195 164 180 207 235 4.931337e+07 7.926991e+04 1.577075e+10 0.00000 1 12.H;11.CA;12.N 0 0 0
256 296.599 174.059 154.672 0.347 0.138 0.769 9.035 57.100 124.861 1223.172 3593.640 624.676 1.650 0.248 2.296 6.804 5.123 9.274 288 304 168 180 144 164 7.781952e+06 7.851155e+04 2.308467e+09 0.00000 1 132.H;131.CA;132.N 0 0 0
257 404.434 173.635 198.660 0.073 0.047 0.147 8.294 57.158 121.940 1667.885 3584.887 802.331 1.644 0.270 2.336 6.782 5.569 9.434 394 414 165 181 184 212 4.349084e+07 7.956520e+04 1.883090e+10 0.00000 1 28.H;27.CA;28.N 0 0 0
259 356.556 175.031 244.289 0.497 0.269 1.195 8.623 56.967 118.910 1470.435 3613.711 986.616 1.481 0.292 2.412 6.106 6.021 9.741 350 362 170 180 235 253 5.534746e+06 7.934430e+04 1.324432e+09 0.00000 1 73.H;72.CA;73.N 0 0 0
260 604.825 174.928 252.165 0.309 0.185 0.878 6.917 56.981 118.387 2494.296 3611.598 1018.425 1.592 0.257 2.299 6.564 5.302 9.287 595 613 169 179 243 261 6.231079e+06 7.844601e+04 1.798956e+09 0.00000 1 75.H;74.CA;75.N 0 0 0
261 408.945 175.440 317.236 0.104 0.155 0.431 8.263 56.911 114.066 1686.490 3622.162 1281.228 1.473 0.260 2.289 6.076 5.365 9.246 400 416 168 182 304 330 1.328911e+07 7.896492e+04 4.750633e+09 0.00000 1 64.H;63.CA;64.N 0 0 0
264 393.229 176.200 196.928 0.003 0.004 0.016 8.371 56.807 122.055 1621.673 3637.857 795.337 0.999 0.268 2.350 4.119 5.524 9.490 387 399 168 184 182 210 3.520264e+08 7.938466e+04 8.416594e+10 0.00000 1 5.H;4.CA;5.N 0 0 0
265 321.920 176.032 201.852 0.110 0.067 0.497 8.861 56.830 121.728 1327.598 3634.386 815.225 1.424 0.223 2.477 5.874 4.604 10.005 313 329 170 182 187 215 1.268264e+07 7.847528e+04 4.029772e+09 0.00000 1 127.H;126.CA;127.N 0 0 0
274 576.884 177.363 315.068 0.040 0.069 0.213 7.109 56.648 114.210 2379.067 3661.853 1272.470 1.267 0.259 2.355 5.225 5.344 9.510 568 584 170 184 301 329 2.644547e+07 7.889104e+04 8.104203e+09 0.00000 1 117.H;116.CA;117.N 0 0 0
276 378.530 178.408 146.148 0.024 0.022 0.076 8.472 56.505 125.427 1561.058 3683.433 590.252 1.188 0.239 2.347 4.900 4.930 9.479 372 384 170 186 132 160 7.971698e+07 8.118741e+04 2.112452e+10 0.00000 1 36.H;35.CA;36.N 0 0 0
277 368.489 178.452 238.085 0.014 0.018 0.044 8.541 56.499 119.322 1519.647 3684.339 961.558 1.199 0.267 2.283 4.943 5.520 9.219 360 376 170 186 224 252 1.263431e+08 8.076701e+04 3.753911e+10 0.00000 1 47.H;46.CA;47.N 0 0 0
278 376.638 179.044 163.978 0.020 0.016 0.085 8.485 56.418 124.243 1553.256 3696.563 662.263 0.998 0.250 2.386 4.116 5.161 9.637 370 382 171 187 149 177 7.403914e+07 8.349693e+04 1.923233e+10 0.00000 1 22.H;21.CA;22.N 0 0 0
280 410.110 178.532 174.595 0.003 0.011 0.032 8.255 56.488 123.538 1691.291 3685.999 705.141 1.034 0.268 2.354 4.265 5.542 9.508 404 416 170 186 160 188 2.151277e+08 7.972908e+04 5.445216e+10 0.00000 1 6.H;5.CA;6.N 0 0 0
282 288.304 178.576 211.686 0.170 0.190 0.569 9.092 56.482 121.075 1188.963 3686.904 854.941 1.400 0.262 2.328 5.773 5.412 9.404 280 296 172 184 199 223 1.108238e+07 7.968895e+04 3.517978e+09 0.00000 1 162.H;161.CA;162.N 0 0 0
285 309.987 179.110 298.502 0.074 0.083 0.521 8.943 56.409 115.310 1278.386 3697.921 1205.568 1.288 0.254 2.381 5.310 5.240 9.617 301 317 173 185 285 311 1.421359e+07 7.889531e+04 4.365515e+09 0.00000 1 154.H;153.CA;154.N 0 0 0
286 367.616 179.804 152.202 0.013 0.011 0.044 8.547 56.314 125.025 1516.046 3712.258 614.702 1.247 0.266 2.357 5.143 5.502 9.519 359 375 171 187 138 166 1.353615e+08 7.949334e+04 4.319733e+10 0.00000 1 7.H;6.CA;7.N 0 0 0
290 197.058 180.272 224.020 0.130 0.163 0.615 9.719 56.250 120.256 812.667 3721.917 904.752 1.320 0.250 2.342 5.443 5.158 9.457 189 205 174 186 212 236 8.955508e+06 7.875000e+04 2.736648e+09 0.00000 1 59.H;58.CA;59.N 0 0 0
292 344.040 181.193 133.408 0.022 0.027 0.134 8.709 56.124 126.273 1418.822 3740.932 538.798 1.312 0.256 2.347 5.409 5.294 9.479 336 352 173 189 119 147 4.982016e+07 7.858346e+04 1.610259e+10 0.00000 1 14.H;13.CA;14.N 0 0 0
298 427.427 181.039 175.303 0.110 0.096 0.626 8.136 56.145 123.491 1762.709 3737.762 708.000 1.128 0.260 2.602 4.650 5.366 10.510 421 433 174 188 161 189 1.246056e+07 8.028800e+04 4.160937e+09 0.00000 1 113.H;112.CA;113.N 0 0 0
300 235.041 181.346 288.925 0.031 0.050 0.167 9.458 56.103 115.946 969.307 3744.101 1166.886 1.263 0.251 2.331 5.208 5.184 9.416 227 243 174 188 274 302 3.301976e+07 7.890034e+04 9.828725e+09 0.00000 1 33.H;32.CA;33.N 0 0 0
301 336.182 182.450 142.444 0.185 0.205 1.789 8.763 55.952 125.673 1386.413 3766.889 575.290 1.459 0.236 3.297 6.018 4.877 13.316 328 344 177 187 124 160 8.585895e+06 7.992593e+04 4.668222e+09 0.00000 1 122.H;121.CA;122.N 0 0 0
302 248.720 181.683 283.112 0.132 0.140 0.440 9.364 56.057 116.332 1025.721 3751.043 1143.410 1.414 0.266 2.344 5.832 5.492 9.466 240 256 174 188 270 296 1.283436e+07 7.891171e+04 4.319137e+09 0.00000 1 58.H;57.CA;58.N 0 0 0
303 453.768 182.099 376.088 0.092 0.060 0.304 7.955 56.000 110.158 1871.337 3759.645 1518.913 1.371 0.246 2.340 5.654 5.077 9.452 445 461 175 189 362 390 1.827433e+07 7.860234e+04 5.800575e+09 0.00000 1 91.H;90.CA;91.N 0 0 0
304 382.460 182.187 377.127 0.006 0.005 0.021 8.445 55.988 110.089 1577.262 3761.456 1523.109 1.157 0.264 2.325 4.772 5.450 9.390 376 388 174 190 363 391 2.738139e+08 7.977771e+04 7.369558e+10 0.00000 1 50.H;49.CA;50.N 0 0 0
305 437.032 182.728 121.602 0.133 0.190 1.094 8.070 55.914 127.057 1802.319 3772.624 491.115 1.368 0.269 2.851 5.641 5.549 11.516 430 444 177 187 107 135 8.942969e+06 7.896337e+04 2.884847e+09 0.00000 1 61.H;60.CA;61.N 0 0 0
306 360.048 182.662 318.456 0.098 0.112 0.435 8.599 55.923 113.985 1484.839 3771.265 1286.154 1.533 0.258 2.303 6.324 5.333 9.303 350 370 175 189 305 331 1.552681e+07 7.880240e+04 5.800697e+09 0.00000 1 126.H;125.CA;126.N 0 0 0
307 414.767 184.402 182.652 0.068 0.072 0.282 8.223 55.685 123.003 1710.496 3807.183 737.680 1.385 0.237 2.330 5.712 4.883 9.410 406 422 178 190 168 196 2.285537e+07 8.017290e+04 8.655626e+09 0.00000 1 146.H;145.CA;146.N 0 0 0
312 299.946 183.824 321.859 0.058 0.066 0.274 9.012 55.764 113.759 1236.975 3795.261 1299.900 1.371 0.261 2.342 5.655 5.384 9.459 291 307 176 190 307 335 2.038351e+07 7.821321e+04 6.775562e+09 0.00000 1 81.H;80.CA;81.N 0 0 0
313 410.837 184.964 92.462 0.033 0.030 0.182 8.250 55.608 128.992 1694.292 3818.803 373.429 1.327 0.255 2.336 5.471 5.267 9.436 402 418 176 192 78 106 3.759417e+07 7.857241e+04 1.195732e+10 0.00000 1 26.H;25.CA;26.N 0 0 0
316 490.441 185.220 399.776 0.067 0.058 0.234 7.703 55.573 108.585 2022.576 3824.085 1614.582 1.267 0.256 2.314 5.227 5.292 9.344 482 498 178 192 385 413 2.483506e+07 7.931937e+04 7.516183e+09 0.00000 1 108.H;107.CA;108.N 0 0 0
319 313.480 186.404 279.061 0.067 0.046 0.138 8.919 55.411 116.601 1292.790 3848.533 1127.049 1.490 0.248 2.287 6.143 5.128 9.238 305 321 179 193 265 293 3.953422e+07 7.983995e+04 1.283701e+10 0.00000 1 24.H;23.CA;24.N 0 0 0
320 469.194 187.274 133.544 0.136 0.126 0.601 7.849 55.292 126.264 1934.953 3866.492 539.346 1.437 0.244 2.298 5.927 5.034 9.282 461 477 181 193 121 145 1.110651e+07 7.928851e+04 3.250016e+09 0.00000 1 78.H;77.CA;78.N 0 0 0
322 468.466 186.872 205.979 0.074 0.055 0.253 7.854 55.347 121.454 1931.953 3858.192 831.890 1.216 0.248 2.296 5.016 5.121 9.271 460 476 179 193 191 219 2.122006e+07 7.937152e+04 6.143265e+09 0.00000 1 67.H;66.CA;67.N 0 0 0
328 375.474 187.910 271.968 0.087 0.054 0.226 8.493 55.205 117.072 1548.455 3879.622 1098.403 1.380 0.267 2.308 5.692 5.508 9.321 367 383 179 195 257 285 2.391324e+07 7.910030e+04 7.801966e+09 0.00000 1 143.H;142.CA;143.N 0 0 0
331 575.137 189.431 208.900 0.029 0.045 0.122 7.121 54.997 121.260 2371.865 3911.012 843.689 1.316 0.259 2.311 5.425 5.343 9.332 567 583 182 196 194 222 4.515895e+07 7.932745e+04 1.421392e+10 0.00000 1 31.H;30.CA;31.N 0 0 0
332 421.752 188.802 225.450 0.049 0.044 0.252 8.175 55.083 120.161 1739.303 3898.033 910.530 1.260 0.240 2.349 5.197 4.965 9.486 413 429 180 196 211 239 2.748876e+07 7.903859e+04 8.465278e+09 0.00000 1 86.H;85.CA;86.N 0 0 0
334 554.909 189.226 260.282 0.106 0.120 0.523 7.260 55.025 117.848 2288.443 3906.786 1051.207 1.372 0.253 2.336 5.658 5.218 9.434 546 562 183 195 248 272 1.147770e+07 7.859942e+04 3.531028e+09 0.00000 1 57.H;56.CA;57.N 0 0 0
340 529.005 189.716 349.132 0.088 0.183 0.926 7.438 54.958 111.948 2181.616 3916.897 1410.045 1.094 0.259 2.808 4.512 5.345 11.340 523 535 183 195 335 363 8.701854e+06 7.842340e+04 2.538226e+09 0.00000 1 30.HD21;30.CA;30.ND2 0 0 0
343 384.788 190.914 214.758 0.002 0.003 0.015 8.429 54.794 120.871 1586.865 3941.647 867.348 0.954 0.265 2.373 3.933 5.469 9.582 378 390 182 198 200 228 3.972773e+08 7.907620e+04 9.226219e+10 0.00000 1 4.H;3.CA;4.N 0 0 0
345 225.581 190.556 320.880 0.155 0.137 0.382 9.523 54.843 113.824 930.297 3934.253 1295.946 1.425 0.251 2.279 5.875 5.177 9.203 217 233 183 197 307 333 1.435585e+07 7.987066e+04 4.528095e+09 0.00000 1 65.H;64.CA;65.N 0 0 0
348 324.103 191.711 163.963 0.015 0.035 0.103 8.846 54.685 124.244 1336.601 3958.097 662.202 1.146 0.297 2.504 4.724 6.133 10.115 318 330 183 199 149 177 6.057212e+07 7.797573e+04 1.753073e+10 0.00000 1 13.H;12.CA;13.N 0 0 0
352 471.959 192.376 324.359 0.073 0.107 0.434 7.830 54.594 113.593 1946.356 3971.830 1309.996 1.388 0.259 2.518 5.724 5.345 10.171 463 479 185 199 310 338 1.739649e+07 7.946667e+04 6.518882e+09 0.00000 1 138.H;137.CA;138.N 0 0 0
355 321.047 192.654 203.147 0.025 0.038 0.181 8.867 54.556 121.642 1323.998 3977.565 820.456 1.309 0.248 2.738 5.397 5.110 11.059 313 329 185 199 187 219 4.293043e+07 7.882584e+04 1.627427e+10 0.00000 1 34.H;33.CA;34.N 0 0 0
360 461.335 192.559 317.477 0.077 0.095 0.411 7.903 54.569 114.050 1902.545 3975.603 1282.201 1.378 0.257 2.614 5.683 5.312 10.556 453 469 185 199 301 333 2.181662e+07 7.976278e+04 8.486345e+09 0.00000 1 55.H;54.CA;55.N 0 0 0
362 421.461 192.903 412.501 0.223 0.087 0.582 8.177 54.522 107.740 1738.103 3982.696 1665.975 1.547 0.247 2.378 6.381 5.095 9.606 412 430 186 198 399 425 1.284909e+07 7.933271e+04 4.264733e+09 0.00000 1 123.H;122.CA;123.N 0 0 0
365 398.322 194.701 249.048 0.035 0.034 0.125 8.336 54.276 118.594 1642.679 4019.821 1005.835 1.292 0.246 2.314 5.330 5.079 9.347 390 406 186 202 235 263 4.359656e+07 7.901916e+04 1.325416e+10 0.00000 1 102.H;101.CA;102.N 0 0 0
366 435.577 196.038 275.356 0.028 0.018 0.097 8.080 54.093 116.847 1796.318 4047.438 1112.088 1.237 0.256 2.291 5.103 5.277 9.254 427 443 188 204 261 289 6.446196e+07 7.961506e+04 1.897825e+10 0.00000 1 15.H;14.CA;15.N 0 0 0
369 371.399 197.252 291.033 0.163 0.113 0.401 8.521 53.927 115.806 1531.650 4072.490 1175.401 1.466 0.256 2.279 6.044 5.276 9.206 363 379 190 204 279 303 1.310857e+07 7.881041e+04 4.155320e+09 0.00000 1 158.H;157.CA;158.N 0 0 0
374 258.616 197.785 214.397 0.041 0.037 0.168 9.296 53.854 120.895 1066.532 4083.506 865.888 1.278 0.258 2.319 5.270 5.337 9.364 250 266 189 205 200 228 3.921400e+07 7.936212e+04 1.223268e+10 0.00000 1 16.H;15.CA;16.N 0 0 0
375 484.037 199.145 290.265 0.024 0.030 0.159 7.747 53.668 115.857 1996.169 4111.576 1172.299 1.261 0.257 2.477 5.201 5.312 10.005 476 492 191 207 276 304 4.218828e+07 7.854983e+04 1.448858e+10 0.00000 1 54.H;53.CA;54.N 0 0 0
380 395.120 200.702 390.063 0.011 0.017 0.057 8.358 53.455 109.230 1629.475 4143.721 1575.354 1.203 0.260 2.326 4.960 5.367 9.393 387 403 192 208 376 404 9.626046e+07 7.879845e+04 2.834045e+10 0.00000 1 48.H;47.CA;48.N 0 0 0
392 389.881 202.559 279.799 0.009 0.015 0.041 8.394 53.201 116.552 1607.870 4182.053 1130.030 1.362 0.260 2.290 5.615 5.375 9.249 381 397 194 210 265 293 1.354975e+08 7.928795e+04 4.444949e+10 0.00000 1 41.H;40.CA;41.N 0 0 0
395 431.502 204.349 115.939 0.323 0.175 0.543 8.108 52.956 127.433 1779.514 4219.027 468.247 1.671 0.255 2.305 6.890 5.275 9.309 422 440 198 210 103 127 1.004282e+07 7.919188e+04 3.465862e+09 0.00000 1 161.H;160.CA;161.N 0 0 0
396 198.368 203.933 173.677 0.114 0.060 0.324 9.710 53.013 123.599 818.069 4210.425 701.431 1.400 0.252 2.298 5.773 5.197 9.283 190 206 196 210 159 187 1.868985e+07 7.908723e+04 6.015559e+09 0.00000 1 147.H;146.CA;147.N 0 0 0
405 379.403 206.096 222.965 0.002 0.003 0.011 8.466 52.717 120.326 1564.659 4255.096 900.495 0.976 0.267 2.325 4.026 5.503 9.391 373 385 198 214 208 236 5.194866e+08 8.043542e+04 1.183480e+11 0.00000 1 3.H;2.CA;3.N 0 0 0
406 421.024 206.272 257.873 0.288 0.203 0.896 8.180 52.693 118.008 1736.303 4258.718 1041.476 1.742 0.240 2.406 7.183 4.959 9.716 412 430 201 211 247 267 6.588070e+06 7.843073e+04 2.162350e+09 0.00000 1 131.H;130.CA;131.N 0 0 0
407 228.055 207.675 103.772 0.127 0.158 0.536 9.506 52.501 128.241 940.500 4287.693 419.105 1.447 0.257 2.307 5.969 5.305 9.319 220 236 201 213 91 115 1.072591e+07 7.917131e+04 3.308601e+09 0.00000 1 62.H;61.CA;62.N 0 0 0
409 289.904 208.772 192.711 0.075 0.080 0.351 9.081 52.351 122.335 1195.565 4310.330 778.307 1.395 0.253 2.340 5.753 5.221 9.452 281 297 202 214 178 206 1.726697e+07 7.850589e+04 5.281985e+09 0.00000 1 103.H;102.CA;103.N 0 0 0
415 606.426 209.620 228.989 0.104 0.097 0.304 6.906 52.235 119.926 2500.898 4327.836 924.823 1.300 0.254 2.360 5.363 5.236 9.533 598 614 202 216 214 242 1.905274e+07 8.013244e+04 6.349276e+09 0.00000 1 141.H;140.CA;141.N 0 0 0
419 401.087 211.147 337.431 0.016 0.016 0.098 8.317 52.026 112.725 1654.082 4359.377 1362.788 1.311 0.244 2.352 5.407 5.035 9.501 393 409 203 219 323 351 6.882494e+07 7.856079e+04 2.200419e+10 0.00000 1 32.H;31.CA;32.N 0 0 0
444 436.450 220.197 299.060 0.101 0.053 0.220 8.074 50.788 115.273 1799.919 4546.209 1207.818 1.436 0.250 2.289 5.924 5.162 9.246 428 444 213 227 285 313 2.446770e+07 7.940959e+04 7.769263e+09 0.00000 1 119.H;118.CA;119.N 0 0 0
450 443.872 222.002 225.465 0.032 0.033 0.202 8.023 50.541 120.160 1830.527 4583.485 910.591 1.292 0.254 2.324 5.328 5.250 9.386 435 451 214 230 211 239 3.379621e+07 7.852083e+04 1.056949e+10 0.00000 1 27.H;26.CA;27.N 0 0 0
458 332.689 223.705 267.691 0.189 0.108 0.437 8.787 50.308 117.356 1372.010 4618.648 1081.130 1.636 0.252 2.347 6.747 5.205 9.479 322 342 216 230 253 281 1.440970e+07 7.896714e+04 5.714079e+09 0.00000 1 125.H;124.CA;125.N 0 0 0
518 429.610 247.213 180.393 0.047 0.042 0.189 8.121 47.092 123.153 1771.712 5103.987 728.557 1.252 0.257 2.303 5.163 5.315 9.303 421 437 239 255 166 194 3.407241e+07 7.952573e+04 1.039725e+10 0.00000 1 92.H;91.CA;92.N 0 0 0
526 502.083 251.481 235.525 0.007 0.017 0.052 7.623 46.508 119.492 2070.588 5192.121 951.219 1.157 0.265 2.322 4.773 5.480 9.379 496 508 243 259 221 249 1.354822e+08 7.989716e+04 3.627816e+10 0.00000 1 21.H;20.CA;21.N 0 0 0
532 431.939 258.440 116.572 0.140 0.152 0.541 8.105 45.556 127.391 1781.314 5335.791 470.802 1.753 0.263 2.332 7.229 5.434 9.419 421 441 251 265 103 129 1.433657e+07 8.022984e+04 6.353878e+09 0.00000 1 161.H;160.CB;161.N 0 0 0
534 415.785 257.578 233.612 0.002 0.004 0.014 8.216 45.674 119.619 1714.697 5317.983 943.495 1.024 0.272 2.412 4.223 5.624 9.742 409 421 249 265 219 247 5.133814e+08 7.973685e+04 1.312513e+11 0.00000 1 49.H;48.CA;49.N 0 0 0
535 438.051 258.696 119.508 0.149 0.114 0.598 8.063 45.521 127.196 1806.521 5341.073 482.661 1.673 0.235 2.346 6.900 4.849 9.474 428 448 252 264 106 132 1.198789e+07 7.904556e+04 5.597264e+09 0.00000 1 61.H;60.CB;61.N 0 0 0
536 407.345 258.864 180.107 0.067 0.054 0.354 8.274 45.498 123.172 1679.888 5344.544 727.401 1.234 0.248 2.740 5.088 5.117 11.068 399 415 251 265 164 196 2.185030e+07 7.916633e+04 8.818672e+09 0.00000 1 156.H;155.CA;156.N 0 0 0
539 409.819 258.864 398.194 0.001 0.001 0.005 8.257 45.498 108.690 1690.091 5344.544 1608.196 1.111 0.266 2.349 4.582 5.491 9.487 403 415 250 266 384 412 1.135268e+09 7.852245e+04 3.000838e+11 0.00000 1 45.H;44.CA;45.N 0 0 0
545 407.054 260.523 214.412 0.002 0.006 0.019 8.276 45.271 120.894 1678.688 5378.801 865.949 1.097 0.271 2.532 4.522 5.600 10.227 401 413 252 268 200 228 4.119815e+08 7.993592e+04 1.186910e+11 0.00000 1 46.H;45.CA;46.N 0 0 0
547 390.755 260.194 247.888 0.004 0.004 0.017 8.388 45.316 118.671 1611.471 5372.010 1001.152 1.260 0.262 2.304 5.197 5.400 9.304 382 398 252 268 233 261 3.225076e+08 7.873029e+04 9.967903e+10 0.00000 1 40.H;39.CA;40.N 0 0 0
548 476.907 260.070 252.271 0.067 0.050 0.357 7.796 45.333 118.380 1966.761 5369.445 1018.851 1.567 0.255 2.733 6.461 5.275 11.036 466 486 253 267 236 268 2.290292e+07 7.832061e+04 1.076871e+10 0.00000 1 129.H;128.CA;129.N 0 0 0
551 228.055 261.700 103.561 0.129 0.149 0.716 9.506 45.110 128.255 940.500 5403.098 418.253 1.384 0.244 2.363 5.707 5.031 9.544 220 236 255 267 92 114 9.760476e+06 7.902321e+04 2.815632e+09 0.00000 1 62.H;61.CB;62.N 0 0 0
552 413.457 262.183 199.247 0.014 0.005 0.028 8.232 45.044 121.901 1705.095 5413.059 804.703 1.625 0.241 2.393 6.701 4.974 9.663 403 423 254 270 185 213 2.207937e+08 7.903836e+04 1.076579e+11 0.00000 1 51.H;50.CA;51.N 0 0 0
555 532.934 262.321 264.333 0.007 0.014 0.051 7.411 45.025 117.579 2197.820 5415.926 1067.567 1.173 0.263 2.335 4.839 5.435 9.429 526 538 254 270 250 278 1.238065e+08 7.893897e+04 3.337726e+10 0.00000 1 11.H;10.CA;11.N 0 0 0
558 572.663 263.213 246.533 0.053 0.049 0.240 7.138 44.903 118.761 2361.662 5434.338 995.678 1.283 0.255 2.306 5.291 5.270 9.313 564 580 255 271 232 260 2.863579e+07 7.939644e+04 8.729048e+09 0.00000 1 121.H;120.CA;121.N 0 0 0
562 438.342 264.580 239.546 0.057 0.060 0.199 8.061 44.716 119.225 1807.721 5462.559 967.458 1.333 0.260 2.297 5.497 5.373 9.277 430 446 257 271 225 253 3.446116e+07 8.028533e+04 1.089015e+10 0.00000 1 124.H;123.CA;124.N 0 0 0
564 410.837 265.823 92.537 0.025 0.026 0.139 8.250 44.546 128.987 1694.292 5488.214 373.733 1.316 0.255 2.330 5.426 5.269 9.412 402 418 257 273 78 106 4.939317e+07 7.874336e+04 1.582897e+10 0.00000 1 26.H;25.CB;26.N 0 0 0
577 421.461 271.056 412.169 0.196 0.113 0.534 8.177 43.830 107.762 1738.103 5596.268 1664.637 1.432 0.272 2.425 5.904 5.622 9.792 413 429 265 277 398 426 1.155198e+07 7.887462e+04 3.919785e+09 0.00000 1 123.H;122.CB;123.N 0 0 0
584 427.483 272.852 175.107 0.138 0.075 0.396 8.135 43.585 123.504 1762.938 5633.347 707.208 1.394 0.235 2.317 5.748 4.857 9.358 419 435 266 278 162 188 1.678515e+07 0.000000e+00 4.484409e+09 0.00000 1 113.H;112.CB;113.N 0 0 0
592 289.904 276.751 192.711 0.032 0.043 0.156 9.081 43.051 122.335 1195.565 5713.830 778.307 1.332 0.267 2.297 5.494 5.511 9.277 281 297 268 284 178 206 3.765849e+07 7.862677e+04 1.269345e+10 0.00000 1 103.H;102.CB;103.N 0 0 0
593 320.756 276.743 194.835 0.144 0.159 0.603 8.869 43.052 122.194 1322.797 5713.679 786.883 1.343 0.254 2.316 5.538 5.249 9.355 313 327 270 282 183 205 9.226707e+06 7.855690e+04 2.536313e+09 0.00000 1 142.H;141.CB;142.N 0 0 0
618 335.745 283.907 144.447 0.126 0.089 0.534 8.766 42.072 125.540 1384.613 5861.575 583.379 1.530 0.260 2.323 6.308 5.375 9.382 327 343 277 289 131 157 1.382697e+07 7.895906e+04 4.717193e+09 0.00000 1 122.H;121.CB;122.N 0 0 0
622 326.868 286.158 93.516 0.183 0.224 1.212 8.827 41.764 128.922 1348.004 5908.057 377.686 1.345 0.276 2.471 5.548 5.707 9.978 320 332 281 291 82 104 6.671999e+06 7.882767e+04 1.685671e+09 0.00000 1 160.H;159.CB;160.N 0 0 0
625 332.835 287.240 188.389 0.083 0.086 0.399 8.786 41.616 122.622 1372.610 5930.392 760.852 1.374 0.256 2.374 5.667 5.286 9.588 324 340 280 294 174 202 1.693075e+07 7.870260e+04 5.600920e+09 0.00000 1 107.H;106.CB;107.N 0 0 0
629 322.211 287.744 141.239 0.152 0.116 0.485 8.859 41.547 125.753 1328.799 5940.805 570.425 1.556 0.248 2.325 6.418 5.128 9.391 312 332 281 293 129 153 1.201783e+07 7.870322e+04 4.334081e+09 0.00000 1 159.H;158.CB;159.N 0 0 0
631 235.477 287.832 157.819 0.065 0.039 0.153 9.455 41.535 124.652 971.108 5942.616 637.388 1.392 0.263 2.282 5.740 5.431 9.216 227 243 279 295 143 171 3.622892e+07 7.934865e+04 1.211985e+10 0.00000 1 25.H;24.CB;25.N 0 0 0
633 442.126 287.781 224.260 0.070 0.071 0.351 8.035 41.542 120.240 1823.325 5941.560 905.725 1.355 0.236 2.325 5.587 4.874 9.389 434 450 281 293 211 237 1.675465e+07 7.868891e+04 4.866251e+09 0.00000 1 89.H;88.CB;89.N 0 0 0
637 492.478 288.636 237.784 0.112 0.109 0.331 7.689 41.425 119.342 2030.978 5959.217 960.342 1.302 0.264 2.323 5.368 5.457 9.384 484 500 281 295 223 251 1.794012e+07 7.993153e+04 5.524433e+09 0.00000 1 87.H;86.CB;87.N 0 0 0
643 468.175 289.491 356.435 0.058 0.123 0.337 7.856 41.308 111.463 1930.752 5976.874 1439.542 1.277 0.269 2.312 5.267 5.551 9.337 460 476 282 296 342 370 2.023988e+07 7.994432e+04 6.547250e+09 0.00000 1 111.H;110.CB;111.N 0 0 0
647 384.788 290.968 214.713 0.001 0.002 0.009 8.429 41.106 120.874 1586.865 6007.358 867.165 0.941 0.270 2.387 3.882 5.584 9.639 378 390 282 298 200 228 7.152553e+08 7.892084e+04 1.654379e+11 0.00000 1 4.H;3.CB;4.N 0 0 0
650 359.903 290.990 318.396 0.120 0.093 0.472 8.600 41.103 113.989 1484.238 6007.811 1285.911 1.534 0.265 2.257 6.325 5.467 9.115 351 367 284 296 306 330 1.278456e+07 7.828798e+04 4.179121e+09 0.00000 1 126.H;125.CB;126.N 0 0 0
656 343.604 294.440 187.892 0.131 0.193 0.728 8.712 40.631 122.655 1417.021 6079.042 758.845 1.155 0.251 2.659 4.764 5.182 10.737 337 349 287 301 173 201 1.041279e+07 8.111927e+04 3.225523e+09 0.00000 1 135.H;134.CB;135.N 0 0 0
667 310.424 295.960 299.120 0.091 0.066 0.281 8.940 40.423 115.269 1280.186 6110.432 1208.062 1.360 0.277 2.348 5.607 5.710 9.481 302 318 288 302 285 313 2.004484e+07 7.864434e+04 6.934552e+09 0.00000 1 154.H;153.CB;154.N 0 0 0
669 305.039 296.625 279.136 0.051 0.105 0.255 8.977 40.332 116.596 1257.981 6124.166 1127.353 1.293 0.290 2.340 5.331 5.995 9.451 297 313 288 304 265 293 2.224486e+07 7.873102e+04 8.781700e+09 0.00000 1 104.H;103.CB;104.N 0 0 0
679 313.334 301.194 278.956 0.056 0.037 0.130 8.920 39.707 116.608 1292.189 6218.487 1126.624 1.472 0.271 2.295 6.069 5.594 9.268 305 321 293 309 264 292 4.103008e+07 7.880368e+04 1.473375e+10 0.00000 1 24.H;23.CB;24.N 0 0 0
680 294.852 300.792 332.943 0.081 0.091 0.312 9.047 39.762 113.023 1215.970 6210.187 1344.663 1.386 0.273 2.308 5.717 5.633 9.323 286 302 292 308 318 346 1.709675e+07 7.836978e+04 5.908134e+09 0.00000 1 152.H;151.CB;152.N 0 0 0
683 577.757 302.049 243.807 0.081 0.066 0.329 7.103 39.590 118.942 2382.667 6236.144 984.670 1.345 0.256 2.325 5.548 5.276 9.390 569 585 295 309 229 257 1.715238e+07 7.838814e+04 5.766302e+09 0.00000 1 137.H;136.CB;137.N 0 0 0
687 168.389 304.965 158.211 0.315 0.150 0.850 9.916 39.191 124.626 694.437 6296.358 638.969 1.502 0.243 2.322 6.195 5.016 9.379 160 176 299 309 148 168 6.775433e+06 7.890379e+04 1.801258e+09 0.00000 1 157.H;156.CB;157.N 0 0 0
690 389.881 305.250 279.784 0.004 0.005 0.019 8.394 39.152 116.553 1607.870 6302.244 1129.969 1.376 0.264 2.298 5.673 5.453 9.281 381 397 297 313 265 293 2.978678e+08 7.850988e+04 9.983247e+10 0.00000 1 41.H;40.CB;41.N 0 0 0
693 297.908 306.113 212.575 0.109 0.118 0.764 9.026 39.034 121.016 1228.573 6320.052 858.529 1.218 0.246 2.420 5.022 5.073 9.772 290 304 300 312 200 224 9.399688e+06 7.874481e+04 2.495918e+09 0.00000 1 97.H;96.CB;97.N 0 0 0
701 592.455 306.610 239.515 0.142 0.148 0.539 7.002 38.966 119.227 2443.283 6330.314 967.336 1.354 0.267 2.393 5.582 5.505 9.666 584 600 299 313 225 253 1.404361e+07 8.005314e+04 4.975411e+09 0.00000 1 140.H;139.CB;140.N 0 0 0
703 395.120 307.136 390.123 0.005 0.006 0.024 8.358 38.894 109.226 1629.475 6341.180 1575.597 1.201 0.264 2.326 4.952 5.450 9.396 387 403 299 315 376 404 2.262650e+08 7.845030e+04 6.860460e+10 0.00000 1 48.H;47.CB;48.N 0 0 0
710 479.672 312.019 265.116 0.176 0.121 0.749 7.777 38.226 117.527 1978.164 6441.990 1070.730 1.350 0.248 2.530 5.566 5.127 10.219 472 486 306 318 252 278 8.654224e+06 7.811815e+04 2.501821e+09 0.00000 1 94.H;93.CB;94.N 0 0 0
714 443.872 313.532 225.465 0.019 0.039 0.120 8.023 38.019 120.160 1830.527 6473.230 910.591 1.284 0.265 2.309 5.297 5.462 9.324 435 451 305 321 211 239 5.812710e+07 7.968921e+04 1.853269e+10 0.00000 1 27.H;26.CB;27.N 0 0 0
718 453.622 316.054 376.072 0.070 0.040 0.181 7.956 37.674 110.159 1870.737 6525.295 1518.852 1.375 0.260 2.309 5.669 5.366 9.326 445 461 308 324 362 390 3.007419e+07 7.895773e+04 1.005308e+10 0.00000 1 91.H;90.CB;91.N 0 0 0
720 198.513 316.916 173.315 0.133 0.072 0.374 9.709 37.556 123.623 818.669 6543.103 699.971 1.400 0.256 2.317 5.773 5.281 9.358 190 206 309 323 159 187 1.639954e+07 7.926961e+04 5.375255e+09 0.00000 1 147.H;146.CB;147.N 0 0 0
723 575.137 317.223 208.870 0.008 0.010 0.037 7.121 37.514 121.262 2371.865 6549.441 843.567 1.319 0.263 2.312 5.440 5.422 9.339 567 583 309 325 194 222 1.493906e+08 7.852278e+04 4.883090e+10 0.00000 1 31.H;30.CB;31.N 0 0 0
726 420.442 318.079 280.341 0.265 0.211 1.242 8.184 37.397 116.516 1733.902 6567.098 1132.219 1.168 0.257 2.444 4.816 5.303 9.871 415 425 314 322 271 289 5.735592e+06 8.014030e+04 1.020649e+09 0.00000 1 79.H;78.CB;79.N 0 0 0
727 529.005 317.881 349.192 0.099 0.227 1.397 7.438 37.424 111.944 2181.616 6563.023 1410.288 0.971 0.271 2.823 4.004 5.600 11.400 525 533 313 321 338 360 5.939648e+06 7.829215e+04 9.839147e+08 0.00000 1 30.HD21;30.CB;30.ND2 0 0 0
731 321.193 319.409 150.817 0.134 0.196 0.587 8.866 37.215 125.117 1324.598 6594.565 609.106 1.455 0.270 2.460 6.000 5.569 9.935 313 329 312 326 136 164 1.090010e+07 7.911475e+04 4.195381e+09 0.00000 1 60.H;59.CB;60.N 0 0 0
733 548.360 320.082 410.212 0.125 0.060 0.329 7.305 37.123 107.892 2261.437 6608.449 1656.731 1.507 0.248 2.377 6.213 5.120 9.600 540 556 313 327 396 424 1.829631e+07 7.876845e+04 6.030338e+09 0.00000 1 29.H;28.CB;29.N 0 0 0
746 408.363 324.877 317.326 0.299 0.143 0.760 8.267 36.467 114.060 1684.089 6707.448 1281.593 1.522 0.249 2.320 6.276 5.145 9.370 400 416 319 329 306 328 8.131575e+06 7.910409e+04 2.210689e+09 0.00000 1 64.H;63.CB;64.N 0 0 0
754 356.992 328.553 244.214 0.087 0.127 0.350 8.620 35.964 118.915 1472.235 6783.358 986.312 1.531 0.264 2.356 6.312 5.452 9.515 348 364 321 335 230 258 1.717725e+07 7.920377e+04 5.992241e+09 0.00000 1 93.H;92.CB;93.N 0 0 0
766 344.914 332.873 244.515 0.085 0.109 0.564 8.703 35.373 118.895 1422.423 6872.548 987.528 1.264 0.269 2.331 5.214 5.550 9.413 336 352 326 338 231 257 1.239038e+07 7.874356e+04 3.849815e+09 0.00000 1 90.H;89.CB;90.N 0 0 0
767 288.158 334.277 110.398 0.134 0.147 0.665 9.093 35.181 127.801 1188.363 6901.524 445.865 1.430 0.252 2.358 5.897 5.205 9.524 280 296 328 340 97 123 1.005605e+07 7.848305e+04 3.093579e+09 0.00000 1 151.H;150.CB;151.N 0 0 0
770 500.336 334.467 345.743 0.047 0.139 0.576 7.635 35.155 112.173 2063.386 6905.447 1396.360 0.850 0.255 2.794 3.506 5.268 11.285 495 505 327 341 329 361 1.578682e+07 8.161180e+04 3.593432e+09 0.00000 1 66.HE22;66.CG;66.NE2 0 0 0
771 512.997 334.079 351.918 0.108 0.141 1.924 7.548 35.208 111.763 2115.599 6897.449 1421.296 0.999 0.215 3.328 4.121 4.437 13.441 508 516 330 338 337 365 5.767544e+06 7.835321e+04 1.080608e+09 0.00000 1 129.HE21;129.CG;129.NE2 0 0 0
772 590.418 333.692 354.824 0.299 0.286 1.477 7.016 35.261 111.570 2434.881 6889.450 1433.035 1.110 0.229 2.517 4.578 4.720 10.166 587 593 330 336 346 362 4.715038e+06 8.119814e+04 4.402482e+08 0.00000 1 129.HE22;131.CG; 0 0 0
778 604.243 334.752 348.906 0.044 0.155 0.470 6.921 35.116 111.963 2491.895 6911.333 1409.132 0.850 0.285 2.332 3.504 5.874 9.417 600 608 328 340 336 360 1.188313e+07 7.941709e+04 2.093335e+09 0.00000 1 66.HE21;66.CG; 0 0 0
780 418.841 335.556 212.454 0.105 0.233 0.882 8.195 35.006 121.024 1727.300 6927.934 858.042 1.165 0.255 2.453 4.806 5.262 9.908 412 424 329 341 200 224 8.768817e+06 7.988498e+04 2.386730e+09 0.00000 1 56.H;55.CB;56.N 0 0 0
783 633.348 337.347 366.826 0.102 0.240 1.269 6.721 34.761 110.773 2611.926 6964.907 1481.508 0.892 0.251 2.899 3.677 5.172 11.707 630 636 332 342 353 379 7.162918e+06 8.037153e+04 1.199627e+09 0.00000 1 109.HE22;109.CG;109.NE2 0 0 0
787 324.103 338.487 163.978 0.018 0.044 0.110 8.846 34.605 124.243 1336.601 6988.450 662.263 1.179 0.263 2.368 4.864 5.427 9.564 318 330 331 345 149 177 5.197779e+07 7.945615e+04 1.398455e+10 0.00000 1 13.H;12.CB;13.N 0 0 0
788 258.616 337.814 214.427 0.039 0.031 0.148 9.296 34.697 120.893 1066.532 6974.566 866.010 1.301 0.261 2.333 5.365 5.380 9.423 250 266 329 345 200 228 4.586426e+07 7.940419e+04 1.478005e+10 0.00000 1 16.H;15.CB;16.N 0 0 0
802 426.845 339.832 174.685 0.364 0.127 0.824 8.140 34.421 123.532 1760.309 7016.218 705.506 2.200 0.237 2.188 9.075 4.894 8.837 414 438 334 344 163 185 -8.837209e+06 7.889855e+04 -3.591393e+09 0.00000 1 113.H;;113.N 0 0 0
820 398.467 340.643 248.943 0.056 0.061 0.168 8.335 34.310 118.601 1643.279 7032.970 1005.409 1.298 0.268 2.292 5.354 5.532 9.257 390 406 332 348 234 262 3.231451e+07 7.965606e+04 9.958142e+09 0.00000 1 102.H;101.CB;102.N 0 0 0
821 554.909 340.636 259.860 0.145 0.180 0.530 7.260 34.311 117.876 2288.443 7032.819 1049.504 1.452 0.257 2.255 5.988 5.312 9.108 546 562 334 346 248 270 9.938941e+06 7.875317e+04 2.889354e+09 0.00000 1 57.H;56.CB;57.N 0 0 0
822 435.577 341.177 275.402 0.035 0.026 0.128 8.080 34.237 116.844 1796.318 7043.986 1112.270 1.229 0.257 2.307 5.069 5.309 9.319 427 443 333 349 261 289 5.178732e+07 7.993908e+04 1.530807e+10 0.00000 1 15.H;14.CB;15.N 0 0 0
827 461.190 341.762 316.558 0.062 0.064 0.273 7.904 34.157 114.111 1901.945 7056.060 1278.491 1.415 0.268 2.326 5.835 5.526 9.395 453 469 333 349 302 330 2.473048e+07 7.879583e+04 8.745421e+09 0.00000 1 55.H;54.CB;55.N 0 0 0
828 531.916 342.142 368.633 0.077 0.225 1.387 7.418 34.105 110.653 2193.619 7063.907 1488.807 0.830 0.263 2.632 3.424 5.440 10.628 529 533 337 347 358 378 5.873382e+06 7.871534e+04 6.826819e+08 0.00000 1 75.HE22;;75.NE2 0 0 0
829 344.040 342.770 133.453 0.017 0.024 0.110 8.709 34.019 126.270 1418.822 7076.886 538.981 1.293 0.262 2.329 5.332 5.408 9.405 336 352 334 350 119 147 6.162494e+07 7.871411e+04 1.970257e+10 0.00000 1 14.H;13.CB;14.N 0 0 0
830 469.194 342.515 133.212 0.089 0.134 0.320 7.849 34.054 126.286 1934.953 7071.604 538.008 1.403 0.267 2.266 5.785 5.509 9.151 461 477 335 349 119 147 1.750860e+07 7.947201e+04 5.791159e+09 0.00000 1 78.H;77.CB;78.N 0 0 0
854 225.727 344.422 320.459 0.101 0.134 0.467 9.522 33.793 113.852 930.897 7110.992 1294.244 1.388 0.258 2.331 5.722 5.325 9.416 217 233 337 351 307 333 1.505799e+07 7.955323e+04 4.830524e+09 0.00000 1 65.H;64.CB;65.N 0 0 0
855 612.101 343.998 336.587 0.088 0.228 3.500 6.867 33.851 112.781 2524.304 7102.239 1359.382 0.854 0.264 3.615 3.523 5.454 14.601 609 615 339 347 320 352 5.198071e+06 7.821123e+04 1.576059e+09 0.00000 1 49.HE22;;49.NE2 0 0 0
856 509.068 343.838 344.087 0.015 0.042 0.223 7.575 33.873 112.283 2099.395 7098.919 1389.670 0.891 0.265 2.694 3.676 5.468 10.880 503 515 335 351 328 360 3.288509e+07 7.855241e+04 8.397285e+09 0.00000 1 49.HE21;49.CG;49.NE2 0 0 0
857 515.180 343.947 347.053 0.021 0.048 0.312 7.533 33.858 112.086 2124.602 7101.183 1401.652 0.826 0.268 2.853 3.406 5.533 11.522 511 519 335 351 331 363 2.661284e+07 7.945334e+04 6.161150e+09 0.00000 1 129.HE21;;129.NE2 0 0 0
858 614.284 343.838 348.770 0.018 0.035 0.151 6.852 33.873 111.972 2533.306 7098.919 1408.585 0.956 0.266 2.351 3.942 5.498 9.496 608 620 335 351 334 362 3.960989e+07 7.929507e+04 9.676952e+09 0.00000 1 49.HE22;49.CG; 0 0 0
871 423.207 346.038 227.769 0.083 0.075 0.370 8.165 33.572 120.007 1745.305 7144.344 919.896 1.351 0.260 2.320 5.572 5.360 9.368 415 431 340 352 214 240 1.540854e+07 7.828759e+04 4.753045e+09 0.00000 1 96.H;95.CB;96.N 0 0 0
872 248.720 345.658 282.886 0.102 0.109 0.342 9.364 33.624 116.347 1025.721 7136.497 1142.498 1.427 0.258 2.323 5.886 5.329 9.384 240 256 338 352 268 296 1.619751e+07 7.896307e+04 5.570523e+09 0.00000 1 58.H;57.CB;58.N 0 0 0
873 525.804 346.140 352.249 0.015 0.038 0.259 7.460 33.558 111.741 2168.413 7146.457 1422.635 0.800 0.263 2.894 3.299 5.437 11.687 521 529 338 354 336 368 3.562798e+07 7.961783e+04 7.669864e+09 0.00000 1 94.HE22;94.CG;94.NE2 0 0 0
880 280.300 349.130 146.043 0.295 0.182 0.907 9.147 33.149 125.434 1155.955 7208.181 589.826 1.442 0.238 2.285 5.945 4.908 9.229 274 286 345 353 138 154 5.751560e+06 7.828581e+04 1.049117e+09 0.00000 1 63.H;62.CB;63.N 0 0 0
883 376.666 350.199 163.471 0.022 0.020 0.139 8.485 33.003 124.277 1553.371 7230.250 660.215 1.132 0.233 2.360 4.670 4.820 9.532 370 382 344 356 149 177 5.341060e+07 0.000000e+00 1.218921e+10 0.00000 1 22.H;21.CB;22.N 0 0 0
884 350.298 349.897 193.931 0.043 0.032 0.158 8.666 33.044 122.254 1444.628 7224.027 783.234 1.230 0.248 2.337 5.072 5.110 9.439 342 358 341 357 179 207 3.521276e+07 7.919891e+04 1.073313e+10 0.00000 1 23.H;22.CB;23.N 0 0 0
886 368.489 350.233 238.055 0.016 0.014 0.047 8.541 32.998 119.324 1519.647 7230.969 961.436 1.215 0.265 2.293 5.011 5.476 9.262 360 376 342 358 224 252 1.164357e+08 7.998838e+04 3.461488e+10 0.00000 1 47.H;46.CB;47.N 0 0 0
890 367.616 351.834 152.277 0.013 0.010 0.046 8.547 32.779 125.020 1516.046 7264.019 615.006 1.251 0.264 2.329 5.161 5.446 9.407 359 375 343 359 138 166 1.338966e+08 7.942231e+04 4.240706e+10 0.00000 1 7.H;6.CB;7.N 0 0 0
896 426.263 353.647 354.944 0.049 0.073 0.223 8.144 32.531 111.562 1757.908 7301.446 1433.521 1.240 0.258 2.313 5.112 5.318 9.343 418 434 346 360 340 368 2.438549e+07 7.888396e+04 7.296607e+09 0.00000 1 98.H;97.CB;98.N 0 0 0
898 414.912 355.314 182.366 0.059 0.073 0.314 8.222 32.303 123.022 1711.096 7335.854 736.524 1.379 0.252 2.410 5.687 5.211 9.735 406 422 348 362 168 196 2.182076e+07 7.888856e+04 7.649270e+09 0.00000 1 146.H;145.CB;146.N 0 0 0
899 187.162 354.831 221.023 0.029 0.039 0.142 9.787 32.369 120.455 771.857 7325.894 892.649 1.265 0.276 2.329 5.218 5.699 9.408 179 195 346 362 207 235 3.807572e+07 7.829747e+04 1.293288e+10 0.00000 1 12.H;11.CB;12.N 0 0 0
900 358.157 355.781 183.299 0.049 0.045 0.209 8.612 32.239 122.960 1477.037 7345.513 740.295 1.378 0.247 2.323 5.681 5.101 9.384 350 366 347 363 169 197 2.900694e+07 7.857398e+04 9.713002e+09 0.00000 1 53.H;52.CB;53.N 0 0 0
904 369.653 356.987 252.813 0.049 0.042 0.231 8.533 32.074 118.344 1524.449 7370.413 1021.040 1.207 0.250 2.357 4.978 5.157 9.521 361 377 349 363 238 266 2.542794e+07 7.897949e+04 7.304259e+09 0.00000 1 83.H;82.CB;83.N 0 0 0
905 371.254 356.607 291.078 0.183 0.148 0.466 8.522 32.126 115.803 1531.050 7362.566 1175.584 1.540 0.248 2.327 6.352 5.126 9.400 361 381 350 362 278 304 1.194711e+07 7.919666e+04 4.195266e+09 0.00000 1 158.H;157.CB;158.N 0 0 0
906 341.857 357.484 350.186 0.030 0.050 0.121 8.724 32.006 111.878 1409.819 7380.676 1414.302 1.332 0.266 2.285 5.491 5.485 9.230 333 349 349 365 336 364 4.638219e+07 7.954342e+04 1.532929e+10 0.00000 1 10.H;9.CB;10.N 0 0 0
914 484.328 359.933 163.271 0.051 0.034 0.166 7.745 31.671 124.290 1997.369 7431.232 659.404 1.396 0.262 2.321 5.755 5.405 9.372 476 492 351 367 149 177 3.563179e+07 7.863023e+04 1.181284e+10 0.00000 1 118.H;117.CB;118.N 0 0 0
916 320.902 359.509 204.744 0.083 0.158 0.438 8.868 31.729 121.536 1323.397 7422.479 826.903 1.270 0.251 2.287 5.237 5.174 9.237 312 328 353 365 191 217 1.329400e+07 7.966823e+04 3.616118e+09 0.00000 1 34.H;33.CB;34.N 0 0 0
917 300.237 359.787 259.379 0.169 0.096 0.467 9.010 31.691 117.908 1238.176 7428.213 1047.558 1.712 0.246 2.307 7.060 5.083 9.316 290 310 353 365 246 272 1.345322e+07 7.873605e+04 5.129517e+09 0.00000 1 130.H;129.CB;130.N 0 0 0
918 265.861 361.035 114.433 0.169 0.118 0.528 9.246 31.521 127.533 1096.411 7453.983 462.165 1.508 0.256 2.328 6.219 5.290 9.401 257 273 354 368 101 127 1.227050e+07 7.876415e+04 4.281015e+09 0.00000 1 150.H;149.CB;150.N 0 0 0
920 512.852 360.576 351.978 0.278 0.601 3.924 7.549 31.583 111.759 2114.999 7444.512 1421.540 1.172 0.266 3.701 4.833 5.499 14.949 510 514 357 363 343 359 3.545438e+06 7.903661e+04 3.074805e+08 0.00000 1 129.HE21;129.CB;129.NE2 0 0 0
924 428.155 362.440 337.762 0.074 0.107 0.327 8.131 31.328 112.703 1765.710 7482.995 1364.126 1.373 0.253 2.349 5.664 5.226 9.489 420 436 355 369 323 351 1.853585e+07 7.919939e+04 6.240696e+09 0.00000 1 110.H;109.CB;110.N 0 0 0
926 556.655 363.076 272.751 0.521 0.252 1.192 7.248 31.241 117.020 2295.645 7496.125 1101.566 1.669 0.259 2.278 6.881 5.356 9.199 548 564 359 367 265 279 4.696660e+06 7.844843e+04 1.106774e+09 0.00000 1 134.H;133.CB;134.N 0 0 0
927 633.057 362.521 366.148 0.136 0.576 2.010 6.723 31.317 110.818 2610.726 7484.655 1478.771 0.942 0.275 2.869 3.886 5.669 11.589 631 635 359 365 357 375 4.287864e+06 7.918206e+04 3.674676e+08 0.00000 1 109.HE22;109.CB;109.NE2 0 0 0
928 401.669 363.807 270.929 0.031 0.030 0.129 8.313 31.141 117.141 1656.482 7511.216 1094.207 1.210 0.263 2.433 4.990 5.424 9.826 393 409 355 371 256 284 4.697613e+07 7.924352e+04 1.534518e+10 0.00000 1 35.H;34.CB;35.N 0 0 0
929 437.614 363.632 299.511 0.025 0.028 0.103 8.066 31.165 115.243 1804.720 7507.594 1209.643 1.282 0.265 2.337 5.287 5.473 9.438 429 445 355 371 285 313 7.038506e+07 8.001279e+04 2.251524e+10 0.00000 1 38.H;37.CB;38.N 0 0 0
932 375.620 365.116 272.164 0.109 0.064 0.309 8.492 30.962 117.059 1549.055 7538.230 1099.194 1.361 0.256 2.375 5.613 5.285 9.591 367 383 358 372 258 286 1.923334e+07 7.913190e+04 6.341647e+09 0.00000 1 143.H;142.CB;143.N 0 0 0
933 537.882 364.926 312.989 0.026 0.028 0.125 7.377 30.988 114.348 2218.226 7534.306 1264.077 1.237 0.265 2.337 5.103 5.462 9.438 529 545 356 372 298 326 4.361665e+07 7.834759e+04 1.347920e+10 0.00000 1 101.H;100.CB;101.N 0 0 0
934 299.946 365.408 321.664 0.106 0.214 0.549 9.012 30.922 113.772 1236.975 7544.266 1299.109 1.363 0.285 2.292 5.619 5.884 9.256 291 307 359 371 309 333 1.120306e+07 7.965410e+04 3.284746e+09 0.00000 1 81.H;80.CB;81.N 0 0 0
936 252.795 365.774 247.241 0.125 0.127 0.551 9.336 30.872 118.714 1042.526 7551.812 998.537 1.396 0.254 2.374 5.758 5.254 9.588 244 260 359 371 235 259 1.097834e+07 7.831250e+04 3.367054e+09 0.00000 1 136.H;135.CB;136.N 0 0 0
941 410.110 369.172 174.565 0.004 0.007 0.035 8.255 30.407 123.540 1691.291 7621.987 705.019 1.050 0.266 2.360 4.330 5.501 9.530 404 416 361 377 160 188 1.944293e+08 7.880842e+04 4.946465e+10 0.00000 1 6.H;5.CB;6.N 0 0 0
943 393.374 368.990 196.928 0.003 0.004 0.019 8.370 30.432 122.055 1622.274 7618.214 795.337 1.014 0.264 2.349 4.182 5.453 9.485 387 399 360 376 182 210 2.985054e+08 7.921801e+04 7.134554e+10 0.00000 1 5.H;4.CB;5.N 0 0 0
944 408.667 365.794 200.589 0.254 0.152 1.167 8.265 30.869 121.812 1685.343 7552.242 810.124 1.223 0.185 2.465 5.043 3.818 9.955 402 414 363 367 189 211 5.386009e+06 8.032748e+04 9.576298e+08 0.00000 1 100.H;;100.N 0 0 0
945 350.880 368.690 332.868 0.039 0.043 0.150 8.662 30.473 113.028 1447.029 7612.027 1344.359 1.376 0.253 2.306 5.674 5.233 9.313 342 358 360 376 318 346 3.667445e+07 7.881965e+04 1.203784e+10 0.00000 1 18.H;17.CB;18.N 0 0 0
951 352.190 370.876 196.657 0.066 0.099 0.382 8.653 30.174 122.073 1452.430 7657.150 794.242 1.247 0.295 2.330 5.143 6.081 9.410 344 360 362 378 182 210 1.626259e+07 7.825606e+04 5.504278e+09 0.00000 1 85.H;84.CB;85.N 0 0 0
953 378.530 371.585 145.968 0.023 0.030 0.078 8.472 30.077 125.439 1561.058 7671.789 589.522 1.168 0.262 2.294 4.816 5.412 9.264 372 384 363 379 131 159 7.093376e+07 8.055079e+04 1.872314e+10 0.00000 1 36.H;35.CB;36.N 0 0 0
956 605.552 371.577 252.090 0.815 0.543 1.517 6.912 30.078 118.392 2497.297 7671.638 1018.121 1.662 0.255 2.303 6.853 5.256 9.303 602 608 368 374 248 256 3.633512e+06 7.965330e+04 2.342496e+08 0.00000 1 75.H;74.CB;75.N 0 0 0
957 131.716 371.775 338.786 0.348 0.232 0.904 10.168 30.051 112.635 543.198 7675.712 1368.261 1.490 0.258 2.291 6.146 5.330 9.254 125 137 367 375 329 347 6.202130e+06 7.878955e+04 1.241325e+09 0.00000 1 128.H;127.CB;128.N 0 0 0
958 329.488 373.120 114.449 0.228 0.116 0.673 8.809 29.867 127.532 1358.806 7703.481 462.226 1.338 0.252 2.341 5.519 5.196 9.454 321 337 367 379 102 126 1.053019e+07 8.021818e+04 3.172746e+09 0.00000 1 114.H;113.CB;114.N 0 0 0
959 296.890 372.513 155.786 0.595 0.434 1.289 9.033 29.950 124.787 1224.372 7690.955 629.177 1.958 0.252 2.390 8.075 5.194 9.654 290 302 369 375 147 163 4.873980e+06 7.992832e+04 8.342093e+08 0.00000 1 132.H;131.CB;132.N 0 0 0
960 446.782 373.112 259.559 0.145 0.127 0.818 8.003 29.868 117.896 1842.530 7703.330 1048.287 1.288 0.246 2.401 5.311 5.074 9.698 438 454 367 379 248 270 8.761538e+06 7.908458e+04 2.520861e+09 0.00000 1 77.H;76.CB;77.N 0 0 0
961 363.104 373.843 259.469 0.371 0.170 1.058 8.578 29.768 117.902 1497.442 7718.421 1047.923 1.985 0.243 2.320 8.187 5.024 9.368 354 372 368 378 250 268 6.755994e+06 7.862316e+04 1.956658e+09 0.00000 1 69.H;;69.N 0 0 0
962 440.088 373.821 289.256 0.055 0.073 0.335 8.049 29.771 115.924 1814.923 7717.968 1168.224 1.267 0.271 2.484 5.225 5.595 10.032 432 448 365 381 275 303 1.998482e+07 7.806197e+04 6.264269e+09 0.00000 1 105.H;104.CB;105.N 0 0 0
963 468.320 375.978 206.310 0.063 0.051 0.274 7.855 29.476 121.432 1931.352 7762.488 833.228 1.220 0.263 2.374 5.033 5.427 9.589 460 476 367 383 192 220 2.350887e+07 7.915506e+04 7.778868e+09 0.00000 1 67.H;66.CB;67.N 0 0 0
966 616.321 375.970 336.542 0.104 0.236 0.697 6.838 29.477 112.784 2541.708 7762.337 1359.199 0.761 0.257 1.642 3.137 5.306 6.631 614 618 371 379 330 342 -5.137886e+06 8.222512e+04 -3.093128e+08 0.00000 1 49.HE22;;49.NE2 0 0 0
967 509.068 376.073 343.921 0.021 0.053 0.291 7.575 29.463 112.294 2099.395 7764.450 1389.001 0.923 0.277 2.723 3.808 5.724 10.999 503 515 368 384 327 359 2.542965e+07 7.821354e+04 7.020641e+09 0.00000 1 49.HE21;;49.NE2 0 0 0
968 500.191 376.080 345.999 0.060 0.130 0.823 7.636 29.462 112.156 2062.786 7764.601 1397.394 0.833 0.263 2.786 3.436 5.427 11.252 497 503 370 382 331 359 9.577073e+06 7.926149e+04 1.701740e+09 0.00000 1 66.HE22;66.CB;66.NE2 0 0 0
969 515.180 375.817 346.797 0.026 0.074 0.401 7.533 29.498 112.103 2124.602 7759.168 1400.618 0.824 0.273 2.788 3.398 5.637 11.262 511 519 368 382 330 362 2.072909e+07 7.943219e+04 4.667112e+09 0.00000 1 129.HE21;;129.NE2 0 0 0
973 382.460 375.875 377.112 0.006 0.005 0.022 8.445 29.490 110.090 1577.262 7760.375 1523.048 1.169 0.262 2.324 4.820 5.409 9.385 376 388 367 383 363 391 2.627896e+08 7.978261e+04 7.084324e+10 0.00000 1 50.H;49.CB;50.N 0 0 0
976 481.127 377.264 208.237 0.054 0.065 0.236 7.767 29.300 121.304 1984.166 7789.049 841.013 1.347 0.265 2.339 5.555 5.467 9.446 473 489 369 385 194 222 2.507265e+07 7.866230e+04 8.602922e+09 0.00000 1 88.H;87.CB;88.N 0 0 0
980 404.434 379.706 198.328 0.052 0.031 0.113 8.294 28.966 121.962 1667.885 7839.454 800.993 1.515 0.261 2.296 6.249 5.396 9.271 396 412 371 387 184 212 5.466375e+07 7.960787e+04 1.929025e+10 0.00000 1 28.H;27.CB;28.N 0 0 0
981 457.115 381.701 201.401 0.061 0.088 0.336 7.932 28.693 121.758 1885.141 7880.654 813.401 1.306 0.263 2.311 5.385 5.426 9.335 449 465 374 388 187 215 1.919118e+07 7.889728e+04 6.174239e+09 0.00000 1 84.H;83.CB;84.N 0 0 0
986 436.159 386.335 223.417 0.046 0.072 0.262 8.076 28.059 120.296 1798.719 7976.333 902.319 1.269 0.264 2.316 5.232 5.449 9.355 428 444 378 394 209 237 2.530107e+07 7.908700e+04 8.181351e+09 0.00000 1 95.H;94.CB;95.N 0 0 0
989 525.658 386.664 352.414 0.028 0.097 0.578 7.461 28.014 111.730 2167.813 7983.124 1423.304 0.789 0.268 2.824 3.254 5.531 11.406 521 529 379 393 336 368 2.016761e+07 8.077827e+04 4.301566e+09 0.00000 1 94.HE22;94.CB;94.NE2 0 0 0
994 587.944 392.453 260.342 0.096 0.172 0.500 7.033 27.222 117.844 2424.678 8102.648 1051.450 1.372 0.266 2.334 5.660 5.484 9.425 579 595 385 399 247 273 1.281014e+07 7.913466e+04 4.322363e+09 0.00000 1 74.H;73.CB;74.N 0 0 0
997 400.941 394.478 475.659 0.084 0.246 0.638 8.318 26.945 103.546 1653.482 8144.451 1921.054 1.152 0.277 2.367 4.752 5.729 9.558 394 406 387 401 463 487 1.038915e+07 8.019130e+04 2.921304e+09 0.00000 1 120.H;119.CB;120.N 0 0 0
1008 312.170 424.213 290.566 0.450 0.367 1.821 8.928 22.877 115.837 1287.388 8758.369 1173.516 1.627 0.265 2.456 6.711 5.477 9.921 308 316 421 427 283 297 -4.050902e+06 7.830855e+04 -4.759751e+08 0.00000 1 144.H;143.CG2;144.N 0 0 0
1014 401.087 437.224 337.506 0.009 0.013 0.058 8.317 21.097 112.720 1654.082 9026.996 1363.092 1.292 0.264 2.328 5.329 5.458 9.401 393 409 429 445 323 351 1.197829e+08 7.875666e+04 3.879147e+10 0.00000 1 32.H;31.CB;32.N 0 0 0
1018 332.544 440.821 267.721 0.085 0.039 0.168 8.788 20.605 117.354 1371.410 9101.246 1081.252 1.592 0.258 2.275 6.565 5.318 9.190 322 342 432 448 253 281 3.453956e+07 7.900863e+04 1.378625e+10 0.00000 1 125.H;124.CB;125.N 0 0 0
1022 577.029 442.685 315.053 0.025 0.046 0.141 7.108 20.350 114.211 2379.667 9139.729 1272.409 1.233 0.264 2.305 5.084 5.446 9.309 569 585 434 450 301 329 3.787588e+07 7.863418e+04 1.186532e+10 0.00000 1 117.H;116.CB;117.N 0 0 0
1023 471.896 444.737 325.117 0.048 0.067 0.227 7.830 20.069 113.543 1946.099 9182.107 1313.056 1.351 0.263 2.363 5.570 5.438 9.543 463 479 436 452 311 339 2.531160e+07 0.000000e+00 8.628023e+09 0.00000 1 138.H;137.CB;138.N 0 0 0
1024 606.426 447.882 228.899 0.051 0.033 0.143 6.906 19.639 119.932 2500.898 9247.029 924.458 1.360 0.262 2.346 5.607 5.413 9.474 598 614 439 455 214 242 3.946776e+07 7.900887e+04 1.372499e+10 0.00000 1 141.H;140.CB;141.N 0 0 0
1030 484.037 449.819 290.235 0.016 0.020 0.098 7.747 19.374 115.859 1996.169 9287.021 1172.178 1.309 0.258 2.481 5.399 5.329 10.021 476 492 441 457 276 304 6.716970e+07 7.833818e+04 2.342311e+10 0.00000 1 54.H;53.CB;54.N 0 0 0
1032 379.479 450.760 222.920 0.002 0.003 0.009 8.465 19.245 120.329 1564.969 9306.460 900.313 0.977 0.268 2.320 4.028 5.532 9.368 373 385 442 458 208 236 6.781158e+08 0.000000e+00 1.504913e+11 0.00000 1 3.H;2.CB;3.N 0 0 0
1037 421.752 453.693 225.315 0.033 0.046 0.164 8.175 18.844 120.170 1739.303 9367.006 909.983 1.288 0.266 2.355 5.311 5.490 9.510 413 429 445 461 211 239 3.848540e+07 7.885664e+04 1.266646e+10 0.00000 1 86.H;85.CB;86.N 0 0 0
1038 436.305 455.674 298.999 0.032 0.030 0.090 8.075 18.573 115.277 1799.319 9407.903 1207.575 1.367 0.265 2.317 5.636 5.468 9.358 428 444 447 463 284 312 6.055490e+07 7.928014e+04 2.039203e+10 0.00000 1 119.H;118.CB;119.N 0 0 0
1046 490.441 468.575 399.851 0.043 0.051 0.135 7.703 16.808 108.580 2022.576 9674.267 1614.887 1.244 0.264 2.314 5.132 5.443 9.344 482 498 460 476 385 413 4.263468e+07 8.036675e+04 1.360228e+10 0.00000 1 108.H;107.CB;108.N 0 0 0
1054 590.459 333.432 348.507 2.000 2.000 2.000 7.016 35.297 111.990 2435.050 6884.091 1407.523 5.615 6.659 9.040 23.155 137.481 36.509 589 591 332 334 347 349 1.844688e+06 0.000000e+00 4.439035e+07 0.00000 1 129.HE22;129.CG;129.NE2 0 0 0
1055 590.512 360.324 347.550 2.000 2.000 2.000 7.015 31.618 112.053 2435.269 7439.302 1403.658 14.074 4.456 12.064 58.042 92.008 48.723 589 591 359 361 346 348 1.101498e+06 0.000000e+00 2.794457e+07 0.00000 1 129.HE22;129.CB;129.NE2 0 0 0
1056 408.401 259.190 200.785 2.000 2.000 2.000 8.267 45.454 121.799 1684.246 5351.283 810.914 14.176 7.423 31.353 58.461 153.247 126.625 407 409 258 260 199 201 3.824794e+07 0.000000e+00 1.039985e+09 0.00000 1 100.H;99.CA;100.N 0 0 0
1058 321.298 191.639 196.280 2.000 2.000 2.000 8.865 54.695 122.098 1325.031 3956.605 792.721 7.287 5.693 20.391 30.050 117.538 82.355 320 322 190 192 195 197 1.893001e+07 0.000000e+00 4.826260e+08 0.00000 1 142.H;141.CA;142.N 0 0 0
1059 322.324 192.284 151.735 2.000 2.000 2.000 8.858 54.607 125.056 1329.265 3969.920 612.816 9.147 5.259 28.322 37.723 108.571 114.384 321 323 191 193 150 152 7.185536e+06 0.000000e+00 1.731009e+08 0.00000 1 60.H;59.CA;60.N 0 0 0
1060 662.792 313.674 389.266 2.000 2.000 2.000 6.519 38.000 109.283 2733.353 6476.148 1572.135 3.878 5.276 13.873 15.994 108.933 56.029 661 663 312 314 388 390 1.604324e+06 0.000000e+00 3.659423e+07 0.00000 1 26.HD21;26.CB;26.ND2 0 0 0
1063 603.949 334.560 341.075 2.000 2.000 2.000 6.923 35.143 112.483 2490.685 6907.377 1377.506 3.605 5.749 16.583 14.868 118.686 66.974 602 604 333 335 340 342 1.148165e+06 0.000000e+00 3.361030e+07 0.00000 1 66.HE21;66.CG;66.NE2 0 0 0
1064 553.388 316.214 384.432 2.000 2.000 2.000 7.270 37.652 109.604 2282.172 6528.593 1552.615 4.420 4.304 12.704 18.229 88.853 51.309 552 554 315 317 383 385 1.215576e+06 0.000000e+00 2.634051e+07 0.00000 1 90.HD21;90.CB;90.ND2 0 0 0
1065 655.339 317.154 384.967 2.000 2.000 2.000 6.570 37.524 109.568 2702.616 6548.009 1554.775 3.736 6.065 14.069 15.407 125.223 56.822 654 656 316 318 383 385 8.500359e+05 0.000000e+00 1.870043e+07 0.00000 1 90.HD22;90.CB;90.ND2 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 3
2 . . C 13 C . 'not observed' 70 ppm . . . 40 . . 31080 3
3 . . N 15 N . 'not observed' 34 ppm . . . 118 . . 31080 3
stop_
save_