############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 54037 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name mir.peaks3 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _Heteronucl_NOE_list.NOE_ref_val 4.7 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format text _Heteronucl_NOE_list.Text_data ; # Number of dimensions 2 #INAME 1 H #INAME 2 h 1 5.952 8.255 1 T 2.123e+08 0.00e+00 a 0 529 545 0 2 5.923 7.199 1 T 2.746e+08 0.00e+00 a 0 757 729 0 3 5.919 7.829 1 T 1.575e+08 0.00e+00 a 0 0 0 0 4 5.894 8.279 1 T 2.396e+08 0.00e+00 a 0 405 421 0 5 5.840 7.773 1 T 5.543e+08 0.00e+00 a 0 385 387 0 6 5.784 7.973 1 T 1.550e+08 0.00e+00 a 0 0 0 0 7 5.725 7.732 1 T 3.015e+08 0.00e+00 a 0 449 451 0 8 5.663 7.660 1 T 4.120e+08 0.00e+00 a 0 509 511 0 9 5.628 7.864 1 T 2.769e+08 0.00e+00 a 0 439 535 0 10 5.578 7.459 1 T 1.674e+08 0.00e+00 a 0 248 265 0 11 5.574 7.199 1 T 1.750e+08 0.00e+00 a 0 216 729 0 12 5.569 7.641 1 T 2.247e+08 0.00e+00 a 0 833 835 0 13 5.513 7.687 1 T 1.464e+08 0.00e+00 a 0 325 327 0 14 5.487 7.978 1 T 1.982e+08 0.00e+00 a 0 0 0 0 15 5.473 7.898 1 T 4.291e+08 0.00e+00 a 0 0 0 0 16 5.466 7.819 1 T 2.964e+08 0.00e+00 a 0 0 0 0 17 5.400 7.511 1 T 1.856e+08 0.00e+00 a 0 0 0 0 18 5.361 7.864 1 T 1.954e+08 0.00e+00 a 0 375 535 0 19 5.253 7.509 1 T 1.306e+08 0.00e+00 a 0 295 297 0 20 5.162 7.477 1 T 1.403e+08 0.00e+00 a 0 801 803 0 21 5.395 7.686 1 T 5.096e+07 0.00e+00 a 0 0 0 0 22 5.465 7.639 1 T 5.571e+07 0.00e+00 a 0 791 835 0 23 5.481 7.562 1 T 6.858e+07 0.00e+00 a 0 0 0 0 24 5.584 7.509 1 T 4.463e+07 0.00e+00 a 0 0 0 0 25 5.623 7.730 1 T 8.236e+07 0.00e+00 a 0 439 451 0 26 5.696 7.889 1 T 1.083e+08 0.00e+00 a 0 865 867 0 27 5.787 7.827 1 T 7.670e+07 0.00e+00 a 0 0 670 0 28 5.823 7.563 1 T 4.994e+07 0.00e+00 a 0 122 168 0 29 5.924 7.476 1 T 4.725e+07 0.00e+00 a 0 757 803 0 30 5.920 7.991 1 T 7.211e+07 0.00e+00 a 0 0 0 0 31 5.842 8.254 1 T 7.208e+07 0.00e+00 a 0 385 545 0 32 5.402 8.255 1 T 5.247e+07 0.00e+00 a 0 0 0 0 33 5.162 7.830 1 T 3.141e+07 0.00e+00 a 0 801 773 0 34 5.698 7.476 1 T 3.409e+07 0.00e+00 a 0 865 803 0 35 5.952 7.509 1 T 2.759e+07 0.00e+00 a 0 529 575 0 36 5.460 7.476 1 T 4.749e+07 0.00e+00 a 0 791 803 0 37 5.254 7.458 1 T 3.886e+07 0.00e+00 a 0 295 265 0 38 5.776 8.255 1 T 4.402e+07 0.00e+00 a 0 499 545 0 39 5.161 5.698 1 T 4.681e+07 0.00e+00 a 0 801 865 0 40 5.626 8.276 1 T 5.561e+07 0.00e+00 a 0 439 421 0 41 5.924 7.892 1 T 5.716e+07 0.00e+00 a 0 0 0 0 42 5.632 7.801 1 T 1.618e+08 0.00e+00 a 0 228 230 0 43 5.895 7.862 1 T 5.328e+07 0.00e+00 a 0 405 535 0 44 5.658 8.279 1 T 4.205e+07 0.00e+00 a 0 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6.620e+07 0.00e+00 a 0 688 739 0 66 7.573 8.002 1 T 2.730e+07 0.00e+00 a 0 168 138 0 67 7.535 8.247 1 T 1.330e+07 0.00e+00 a 0 575 545 0 68 5.584 7.826 1 T 5.140e+07 0.00e+00 a 0 0 0 0 69 7.737 8.277 1 T 3.093e+07 0.00e+00 a 0 451 421 0 70 6.009 8.154 1 T 3.818e+06 0.00e+00 a 0 18 35 0 72 5.594 7.638 1 T 1.099e+08 0.00e+00 a 0 0 0 0 73 5.602 7.471 1 T 5.476e+07 0.00e+00 a 0 821 803 0 74 4.787 5.786 1 T 3.620e+08 0.00e+00 a 0 182 186 0 75 4.754 5.952 1 T 3.422e+08 0.00e+00 a 0 525 529 0 76 4.709 5.896 1 T 2.709e+08 0.00e+00 a 0 399 405 0 77 4.754 7.512 1 T 7.397e+07 0.00e+00 a 0 525 575 0 78 4.786 7.886 1 T 1.683e+08 0.00e+00 a 0 182 739 0 79 4.787 7.961 1 T 9.734e+07 0.00e+00 a 0 0 0 0 80 4.756 8.255 1 T 2.144e+08 0.00e+00 a 0 525 545 0 81 4.706 8.278 1 T 4.816e+08 0.00e+00 a 0 399 421 0 82 4.642 8.278 1 T 1.214e+08 0.00e+00 a 0 0 421 0 83 7.194 7.813 1 T 5.306e+07 0.00e+00 a 0 0 0 0 84 4.585 7.461 1 T 2.724e+08 0.00e+00 a 0 244 265 0 85 4.033 7.462 1 T 8.118e+07 0.00e+00 a 0 236 265 0 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7.829 1 T 7.002e+07 0.00e+00 a 0 559 610 0 144 4.595 5.827 1 T 1.216e+08 0.00e+00 a 0 116 122 0 145 4.590 7.995 1 T 1.338e+08 0.00e+00 a 0 116 138 0 146 4.490 7.997 1 T 2.147e+08 0.00e+00 a 0 118 138 0 147 4.483 5.825 1 T 1.457e+08 0.00e+00 a 0 118 122 0 148 4.379 7.563 1 T 9.594e+07 0.00e+00 a 0 150 168 0 149 4.426 7.565 1 T 7.309e+07 0.00e+00 a 0 0 0 0 150 4.377 5.481 1 T 2.254e+08 0.00e+00 a 0 0 0 0 151 4.538 7.561 1 T 5.703e+07 0.00e+00 a 0 152 168 0 152 4.401 8.252 1 T 8.611e+07 0.00e+00 a 0 369 545 0 153 4.155 5.631 1 T 2.008e+08 0.00e+00 a 0 431 439 0 154 4.292 5.616 1 T 2.192e+08 0.00e+00 a 0 435 439 0 155 4.464 7.892 1 T 8.213e+07 0.00e+00 a 0 0 0 0 156 4.344 8.254 1 T 1.363e+08 0.00e+00 a 0 521 545 0 157 4.344 5.954 1 T 1.196e+08 0.00e+00 a 0 521 529 0 158 4.052 5.952 1 T 5.990e+07 0.00e+00 a 0 518 529 0 159 4.004 5.898 1 T 2.621e+07 0.00e+00 a 0 394 405 0 160 4.010 8.280 1 T 5.140e+07 0.00e+00 a 0 394 421 0 162 5.775 7.868 1 T 3.786e+07 0.00e+00 a 0 499 535 0 163 5.906 7.739 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0 243 4.314 7.510 1 T 1.450e+08 0.00e+00 a 0 277 297 0 244 4.321 5.253 1 T 8.922e+06 0.00e+00 a 0 277 295 0 245 4.481 5.254 1 T 7.975e+06 0.00e+00 a 0 279 295 0 246 4.485 5.583 1 T 2.234e+08 0.00e+00 a 0 279 283 0 247 5.252 7.688 1 T 8.261e+06 0.00e+00 a 0 295 327 0 248 5.160 7.893 1 T 9.517e+06 0.00e+00 a 0 801 867 0 249 4.014 7.896 1 T 1.481e+07 0.00e+00 a 0 841 867 0 250 5.590 7.690 1 T 3.384e+07 0.00e+00 a 0 283 327 0 251 5.784 7.954 1 T 1.240e+08 0.00e+00 a 0 0 705 0 252 5.162 4.373 1 T 3.959e+07 0.00e+00 a 0 801 785 0 253 5.490 5.678 1 T 3.654e+07 0.00e+00 a 0 0 0 0 302 12.000 13.727 1 T 1.083e+08 0.00e+00 a 0 699 192 0 303 10.481 13.357 1 T 3.841e+07 0.00e+00 a 0 259 604 0 304 10.491 12.003 1 T 2.761e+07 0.00e+00 a 0 259 699 0 305 10.483 10.484 1 T 3.412e+08 0.00e+00 a 0 259 259 0 306 12.545 12.543 1 T 7.925e+07 0.00e+00 a 0 64 64 0 307 11.999 12.000 1 T 5.872e+09 0.00e+00 a 0 699 699 0 308 13.356 13.357 1 T 1.018e+09 0.00e+00 a 0 604 604 0 309 13.727 13.727 1 T 1.871e+09 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2.249e+08 0.00e+00 a 0 248 604 0 332 5.557 12.545 1 T 9.348e+07 0.00e+00 a 0 833 64 0 333 5.467 13.728 1 T 1.085e+08 0.00e+00 a 0 0 0 0 334 5.246 13.358 1 T 1.163e+08 0.00e+00 a 0 295 604 0 335 5.963 7.628 1 T 2.815e+07 0.00e+00 a 0 529 481 0 336 5.918 7.466 1 T 2.544e+08 0.00e+00 a 0 757 803 0 338 5.920 7.198 1 T 4.789e+08 0.00e+00 a 0 757 729 0 339 5.927 7.810 1 T 7.596e+08 0.00e+00 a 0 757 773 0 340 5.934 7.995 1 T 3.548e+08 0.00e+00 a 0 0 0 0 343 5.837 7.765 1 T 1.952e+09 0.00e+00 a 0 385 387 0 344 5.835 7.563 1 T 2.467e+08 0.00e+00 a 0 122 168 0 345 5.826 7.994 1 T 4.232e+08 0.00e+00 a 0 122 138 0 347 5.778 7.958 1 T 8.018e+08 0.00e+00 a 0 0 0 0 350 5.721 7.720 1 T 1.443e+09 0.00e+00 a 0 449 451 0 351 5.700 7.883 1 T 9.987e+08 0.00e+00 a 0 865 867 0 352 5.716 7.611 1 T 1.109e+09 0.00e+00 a 0 479 481 0 353 5.699 7.468 1 T 1.288e+08 0.00e+00 a 0 865 803 0 354 5.703 7.806 1 T 1.580e+09 0.00e+00 a 0 355 357 0 355 5.672 7.964 1 T 1.955e+08 0.00e+00 a 0 0 0 0 356 5.665 7.659 1 T 1.150e+09 0.00e+00 a 0 509 511 0 357 5.627 8.198 1 T 4.199e+08 0.00e+00 a 0 228 225 0 358 5.617 7.870 1 T 5.766e+08 0.00e+00 a 0 439 535 0 359 5.618 7.721 1 T 2.434e+08 0.00e+00 a 0 439 451 0 360 5.580 7.453 1 T 4.952e+08 0.00e+00 a 0 248 265 0 361 5.573 7.639 1 T 1.123e+09 0.00e+00 a 0 833 835 0 363 5.504 7.679 1 T 1.005e+09 0.00e+00 a 0 325 327 0 364 5.482 7.961 1 T 1.773e+09 0.00e+00 a 0 0 0 0 365 5.493 7.562 1 T 3.439e+08 0.00e+00 a 0 0 0 0 366 5.467 7.896 1 T 1.256e+09 0.00e+00 a 0 0 0 0 367 5.465 7.472 1 T 6.789e+07 0.00e+00 a 0 791 803 0 368 5.462 7.636 1 T 1.041e+08 0.00e+00 a 0 791 835 0 369 5.398 7.685 1 T 6.218e+07 0.00e+00 a 0 0 0 0 370 5.412 7.523 1 T 9.881e+08 0.00e+00 a 0 0 0 0 371 5.368 7.872 1 T 6.146e+08 0.00e+00 a 0 375 535 0 372 5.353 7.774 1 T 1.349e+08 0.00e+00 a 0 375 387 0 373 5.247 7.497 1 T 7.804e+08 0.00e+00 a 0 295 297 0 374 5.248 6.955 1 T 2.626e+08 0.00e+00 a 0 295 291 0 375 5.134 7.813 1 T 1.917e+08 0.00e+00 a 0 801 773 0 376 5.134 7.467 1 T 1.109e+09 0.00e+00 a 0 801 803 0 377 5.420 8.256 1 T 2.592e+08 0.00e+00 a 0 0 0 0 378 5.790 8.254 1 T 2.975e+08 0.00e+00 a 0 499 545 0 379 5.908 8.279 1 T 8.920e+08 0.00e+00 a 0 405 421 0 380 5.956 8.261 1 T 8.134e+08 0.00e+00 a 0 529 545 0 382 5.620 8.285 1 T 2.866e+08 0.00e+00 a 0 439 421 0 383 5.663 8.285 1 T 2.938e+08 0.00e+00 a 0 509 421 0 384 5.250 7.429 1 T 2.470e+07 0.00e+00 a 0 295 265 0 385 5.964 7.524 1 T 6.152e+07 0.00e+00 a 0 529 575 0 386 5.624 7.790 1 T 2.849e+09 0.00e+00 a 0 228 230 0 387 5.677 7.800 1 T 3.041e+09 0.00e+00 a 0 723 230 0 388 5.907 7.986 1 T 4.807e+08 0.00e+00 a 0 688 705 0 389 5.787 7.612 1 T 6.427e+08 0.00e+00 a 0 469 481 0 390 5.479 7.819 1 T 1.894e+09 0.00e+00 a 0 0 0 0 391 5.922 7.877 1 T 3.251e+08 0.00e+00 a 0 0 0 0 392 5.249 8.286 1 T 4.529e+08 0.00e+00 a 0 295 292 0 393 7.565 7.995 1 T 1.361e+08 0.00e+00 a 0 168 138 0 394 7.500 8.263 1 T 1.738e+08 0.00e+00 a 0 575 545 0 396 7.571 7.908 1 T 3.100e+07 0.00e+00 a 0 168 128 0 397 7.715 8.280 1 T 2.122e+08 0.00e+00 a 0 451 421 0 398 7.778 8.261 1 T 1.038e+08 0.00e+00 a 0 387 545 0 399 7.451 7.803 1 T 1.695e+08 0.00e+00 a 0 803 763 0 400 7.655 8.283 1 T 1.163e+08 0.00e+00 a 0 511 421 0 401 7.574 8.257 1 T 1.503e+08 0.00e+00 a 0 481 545 0 402 7.114 12.545 1 T 1.483e+08 0.00e+00 a 0 861 64 0 403 5.982 8.140 1 T 1.333e+08 0.00e+00 a 0 18 35 0 405 5.594 7.638 1 T 1.110e+09 0.00e+00 a 0 0 0 0 406 5.602 7.467 1 T 2.884e+08 0.00e+00 a 0 821 803 0 407 5.699 8.141 1 T 8.060e+07 0.00e+00 a 0 865 35 0 408 7.496 7.866 1 T 7.802e+07 0.00e+00 a 0 575 535 0 409 5.583 5.920 1 T -4.115e+06 0.00e+00 a 0 248 688 0 410 5.398 5.794 1 T 7.544e+06 0.00e+00 a 0 0 0 0 411 5.478 5.827 1 T -1.169e+07 0.00e+00 a 0 0 0 0 412 5.396 5.959 1 T -1.148e+06 0.00e+00 a 0 0 0 0 413 5.466 5.930 1 T -1.481e+07 0.00e+00 a 0 0 0 0 414 4.799 5.789 1 T 4.397e+07 0.00e+00 a 0 182 186 0 415 4.777 5.956 1 T 5.408e+07 0.00e+00 a 0 525 529 0 416 4.703 5.913 1 T 8.937e+07 0.00e+00 a 0 399 405 0 417 4.789 7.523 1 T 3.170e+08 0.00e+00 a 0 525 575 0 418 4.797 7.873 1 T 9.361e+08 0.00e+00 a 0 182 739 0 419 4.808 7.951 1 T 2.638e+08 0.00e+00 a 0 0 0 0 420 4.782 8.257 1 T 8.751e+08 0.00e+00 a 0 525 545 0 421 4.709 8.286 1 T 2.193e+09 0.00e+00 a 0 399 421 0 422 4.640 8.287 1 T 7.979e+08 0.00e+00 a 0 0 421 0 423 5.573 7.198 1 T 3.391e+08 0.00e+00 a 0 216 729 0 427 5.627 6.855 1 T 2.358e+08 0.00e+00 a 0 228 224 0 428 6.620 7.467 1 T 6.187e+06 0.00e+00 a 0 255 265 0 429 6.952 8.285 1 T 1.030e+09 0.00e+00 a 0 291 292 0 430 6.852 8.198 1 T 7.768e+08 0.00e+00 a 0 224 225 0 431 6.988 7.510 1 T 6.842e+07 0.00e+00 a 0 291 297 0 432 6.892 7.982 1 T 4.690e+07 0.00e+00 a 0 224 198 0 433 6.884 7.812 1 T 1.299e+08 0.00e+00 a 0 224 230 0 434 6.888 7.685 1 T 2.683e+07 0.00e+00 a 0 256 327 0 435 6.693 7.641 1 T 2.781e+07 0.00e+00 a 0 830 835 0 438 6.613 7.820 1 T 1.239e+08 0.00e+00 a 0 0 0 0 439 7.038 7.484 1 T 2.024e+07 0.00e+00 a 0 767 803 0 440 7.034 7.900 1 T 2.320e+07 0.00e+00 a 0 767 128 0 441 7.119 7.640 1 T 1.043e+08 0.00e+00 a 0 829 835 0 442 5.571 7.078 1 T 2.102e+08 0.00e+00 a 0 833 829 0 443 7.051 7.825 1 T 9.956e+07 0.00e+00 a 0 767 773 0 444 7.196 7.820 1 T 1.949e+08 0.00e+00 a 0 0 0 0 445 5.694 7.129 1 T 1.533e+08 0.00e+00 a 0 865 861 0 446 7.159 7.897 1 T 7.567e+07 0.00e+00 a 0 861 867 0 447 7.114 8.059 1 T 2.653e+07 0.00e+00 a 0 829 0 0 448 5.569 8.058 1 T 1.724e+07 0.00e+00 a 0 833 0 0 453 6.561 7.744 1 T 1.308e+07 0.00e+00 a 0 415 451 0 454 6.567 8.285 1 T 1.969e+07 0.00e+00 a 0 415 421 0 457 6.676 7.901 1 T 5.301e+07 0.00e+00 a 0 132 128 0 458 6.672 7.998 1 T 1.139e+08 0.00e+00 a 0 132 138 0 465 6.698 8.273 1 T 4.661e+07 0.00e+00 a 0 416 421 0 468 6.897 7.893 1 T 9.937e+07 0.00e+00 a 0 224 739 0 469 6.774 7.811 1 T 2.160e+08 0.00e+00 a 0 0 0 0 470 6.854 7.194 1 T -2.535e+06 0.00e+00 a 0 695 729 0 471 7.624 7.904 1 T 1.049e+08 0.00e+00 a 0 835 867 0 472 6.678 7.555 1 T 1.727e+07 0.00e+00 a 0 132 168 0 473 6.860 7.473 1 T 2.856e+07 0.00e+00 a 0 695 265 0 474 6.852 7.896 1 T 1.134e+08 0.00e+00 a 0 695 739 0 475 6.726 7.988 1 T 1.709e+08 0.00e+00 a 0 416 411 0 476 7.112 7.850 1 T 1.817e+07 0.00e+00 a 0 829 773 0 477 6.889 7.508 1 T 4.214e+07 0.00e+00 a 0 0 0 0 478 6.989 7.694 1 T 1.167e+07 0.00e+00 a 0 291 327 0 479 7.205 8.217 1 T 2.911e+07 0.00e+00 a 0 729 225 0 483 4.578 7.457 1 T 1.237e+09 0.00e+00 a 0 244 265 0 484 4.038 7.458 1 T 5.789e+08 0.00e+00 a 0 0 0 0 487 4.404 7.462 1 T 2.280e+09 0.00e+00 a 0 242 265 0 492 4.475 7.640 1 T 7.347e+08 0.00e+00 a 0 817 835 0 493 4.106 7.640 1 T 1.008e+09 0.00e+00 a 0 815 835 0 495 3.968 7.640 1 T 3.468e+08 0.00e+00 a 0 809 835 0 498 3.763 7.638 1 T 3.893e+07 0.00e+00 a 0 0 835 0 500 3.755 7.827 1 T 4.093e+08 0.00e+00 a 0 745 773 0 501 3.865 7.830 1 T 2.975e+08 0.00e+00 a 0 746 773 0 504 4.601 7.197 1 T 1.074e+08 0.00e+00 a 0 0 729 0 506 4.487 7.504 1 T 8.111e+08 0.00e+00 a 0 557 575 0 507 4.322 7.500 1 T 9.613e+08 0.00e+00 a 0 0 0 0 511 4.233 7.498 1 T 1.091e+08 0.00e+00 a 0 0 0 0 513 4.278 7.435 1 T 1.031e+08 0.00e+00 a 0 0 265 0 515 4.665 5.762 1 T 2.428e+07 0.00e+00 a 0 0 0 0 516 4.721 7.663 1 T 1.548e+08 0.00e+00 a 0 0 511 0 517 4.644 7.661 1 T 2.516e+08 0.00e+00 a 0 0 511 0 521 4.406 7.776 1 T 2.219e+09 0.00e+00 a 0 369 387 0 522 4.673 7.968 1 T 1.445e+09 0.00e+00 a 0 180 198 0 524 4.494 7.717 1 T 1.083e+09 0.00e+00 a 0 433 451 0 525 4.278 7.724 1 T 4.382e+08 0.00e+00 a 0 435 451 0 526 4.159 7.721 1 T 7.482e+08 0.00e+00 a 0 431 451 0 527 3.983 7.723 1 T 1.436e+08 0.00e+00 a 0 427 451 0 530 4.473 8.284 1 T 5.307e+08 0.00e+00 a 0 401 421 0 531 4.635 5.915 1 T 1.290e+08 0.00e+00 a 0 0 405 0 533 4.038 8.284 1 T 2.813e+08 0.00e+00 a 0 393 421 0 535 4.224 7.683 1 T 5.705e+08 0.00e+00 a 0 309 327 0 536 4.012 7.679 1 T 2.034e+08 0.00e+00 a 0 303 327 0 538 4.113 7.559 1 T 3.590e+08 0.00e+00 a 0 144 168 0 539 4.552 5.832 1 T 4.509e+07 0.00e+00 a 0 371 385 0 540 4.555 7.779 1 T 6.170e+08 0.00e+00 a 0 371 387 0 543 4.378 7.957 1 T 2.607e+09 0.00e+00 a 0 178 198 0 544 4.184 7.954 1 T 5.966e+08 0.00e+00 a 0 174 198 0 546 4.301 5.783 1 T 4.913e+07 0.00e+00 a 0 0 0 0 547 4.301 7.657 1 T 9.714e+08 0.00e+00 a 0 493 511 0 548 4.579 7.663 1 T 2.757e+08 0.00e+00 a 0 495 511 0 549 4.322 7.613 1 T 9.295e+08 0.00e+00 a 0 465 481 0 550 4.577 7.609 1 T 2.732e+08 0.00e+00 a 0 463 481 0 551 4.050 7.617 1 T 2.468e+08 0.00e+00 a 0 457 481 0 553 4.338 5.782 1 T 4.438e+07 0.00e+00 a 0 465 469 0 556 4.518 8.259 1 T 1.695e+09 0.00e+00 a 0 523 545 0 557 4.521 5.947 1 T 5.745e+07 0.00e+00 a 0 523 529 0 558 4.129 8.252 1 T 7.000e+08 0.00e+00 a 0 517 545 0 560 4.230 7.877 1 T 1.486e+09 0.00e+00 a 0 847 867 0 563 7.488 13.357 1 T 4.847e+07 0.00e+00 a 0 575 604 0 565 5.519 13.359 1 T 1.126e+08 0.00e+00 a 0 325 604 0 566 5.706 12.545 1 T 6.292e+07 0.00e+00 a 0 865 64 0 567 5.546 13.726 1 T 1.289e+08 0.00e+00 a 0 216 192 0 568 6.896 13.350 1 T 1.677e+08 0.00e+00 a 0 256 604 0 569 7.808 13.357 1 T 4.672e+07 0.00e+00 a 0 640 604 0 570 7.683 13.358 1 T 5.414e+07 0.00e+00 a 0 327 604 0 571 6.556 12.002 1 T 1.597e+08 0.00e+00 a 0 255 699 0 572 7.630 12.546 1 T 7.807e+07 0.00e+00 a 0 835 64 0 573 4.091 7.198 1 T 2.253e+07 0.00e+00 a 0 144 729 0 574 4.332 7.823 1 T 7.458e+08 0.00e+00 a 0 559 610 0 575 4.595 5.827 1 T 3.344e+07 0.00e+00 a 0 116 122 0 576 4.598 7.992 1 T 1.223e+09 0.00e+00 a 0 116 138 0 577 4.491 7.987 1 T 2.062e+09 0.00e+00 a 0 118 138 0 579 4.382 7.563 1 T 9.550e+08 0.00e+00 a 0 150 168 0 580 4.427 7.564 1 T 1.014e+09 0.00e+00 a 0 0 0 0 581 4.383 7.191 1 T 8.867e+07 0.00e+00 a 0 0 0 0 582 4.427 7.193 1 T 1.226e+08 0.00e+00 a 0 0 0 0 585 4.578 7.559 1 T 4.341e+08 0.00e+00 a 0 152 168 0 586 4.383 8.256 1 T 7.842e+08 0.00e+00 a 0 369 545 0 589 4.232 8.284 1 T 4.981e+08 0.00e+00 a 0 0 0 0 590 4.464 7.884 1 T 1.146e+09 0.00e+00 a 0 817 867 0 591 4.333 8.255 1 T 9.535e+08 0.00e+00 a 0 521 545 0 595 4.002 8.283 1 T 2.634e+08 0.00e+00 a 0 394 421 0 599 5.787 7.871 1 T 2.875e+08 0.00e+00 a 0 499 535 0 602 8.270 10.484 1 T 4.001e+07 0.00e+00 a 0 292 259 0 603 7.489 10.490 1 T 2.342e+07 0.00e+00 a 0 297 259 0 604 3.969 12.543 1 T 1.629e+07 0.00e+00 a 0 809 64 0 605 4.162 12.539 1 T 2.397e+07 0.00e+00 a 0 0 0 0 606 4.472 12.544 1 T 4.691e+07 0.00e+00 a 0 817 64 0 607 4.705 12.544 1 T 1.190e+07 0.00e+00 a 0 0 0 0 608 4.666 13.357 1 T 2.079e+07 0.00e+00 a 0 0 0 0 609 4.376 13.356 1 T 8.990e+07 0.00e+00 a 0 0 0 0 610 4.214 13.356 1 T 6.024e+07 0.00e+00 a 0 309 604 0 611 4.004 13.359 1 T 1.399e+07 0.00e+00 a 0 303 604 0 612 4.087 13.729 1 T 2.005e+07 0.00e+00 a 0 0 0 0 613 4.385 10.486 1 T 8.002e+07 0.00e+00 a 0 0 0 0 614 5.394 10.485 1 T 1.327e+08 0.00e+00 a 0 0 0 0 615 5.786 10.485 1 T 7.039e+08 0.00e+00 a 0 628 259 0 616 6.941 10.482 1 T 2.990e+07 0.00e+00 a 0 291 259 0 617 7.946 10.484 1 T 5.218e+07 0.00e+00 a 0 705 259 0 618 5.566 8.137 1 T 8.872e+07 0.00e+00 a 0 833 35 0 619 4.982 7.562 1 T 9.817e+08 0.00e+00 a 0 166 168 0 620 4.973 7.991 1 T 1.746e+08 0.00e+00 a 0 166 138 0 621 5.369 8.255 1 T 1.216e+08 0.00e+00 a 0 375 545 0 622 5.582 7.493 1 T 5.049e+07 0.00e+00 a 0 248 297 0 623 5.587 6.961 1 T 2.799e+07 0.00e+00 a 0 248 291 0 624 5.759 6.707 1 T 2.918e+07 0.00e+00 a 0 0 0 0 627 4.487 6.951 1 T 6.442e+07 0.00e+00 a 0 557 291 0 628 4.019 6.951 1 T 4.507e+07 0.00e+00 a 0 303 291 0 629 3.978 7.505 1 T 1.741e+08 0.00e+00 a 0 0 0 0 630 4.674 7.875 1 T 9.855e+08 0.00e+00 a 0 180 739 0 631 5.848 8.286 1 T 3.942e+08 0.00e+00 a 0 385 421 0 632 5.121 7.893 1 T 3.550e+07 0.00e+00 a 0 801 128 0 633 4.719 7.775 1 T 2.330e+08 0.00e+00 a 0 399 387 0 634 7.709 14.063 1 T 5.206e+07 0.00e+00 a 0 0 0 0 635 6.766 14.057 1 T 1.615e+07 0.00e+00 a 0 0 0 0 ; loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '2D 1H-1H NOESY' . . . 54037 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $software_1 . . 54037 1 stop_ save_