============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. PHE 5 1.000 146.451 -57.013 -11.253 -99.200 -91.000 TYR 31 0.840 127.419 -41.323 -17.400 -99.200 -91.000 HIS 32 0.900 122.911 -41.538 -20.503 -99.200 -91.000 HIS 45 0.900 138.478 -61.216 2.864 -99.200 -91.000 PHE 48 1.000 140.154 -60.299 -4.648 -99.200 -91.000 PHE 49 1.000 140.710 -56.731 -15.192 -99.200 -91.000 PHE 61 1.000 130.947 -58.139 -9.233 -99.200 -91.000 TRP 64 1.040 129.595 -57.329 -2.943 -99.200 -91.000 TRP6 64 1.020 130.800 -55.806 -4.313 -99.200 -91.000 PHE 75 1.000 137.183 -39.894 -9.800 -99.200 -91.000 TRP 86 1.040 121.939 -46.618 -20.556 -99.200 -91.000 TRP6 86 1.020 120.320 -46.412 -22.256 -99.200 -91.000 PHE 95 1.000 135.332 -41.273 -0.233 -99.200 -91.000 TYR 102 0.840 131.843 -29.899 -7.337 -99.200 -91.000 TYR 122 0.840 147.712 -43.655 -3.363 -99.200 -91.000 TYR 132 0.840 141.547 -45.766 -19.997 -99.200 -91.000 HIS 149 0.900 144.413 -46.404 -15.015 -99.200 -91.000 TRP 158 1.040 141.328 -50.706 1.038 -99.200 -91.000 TRP6 158 1.020 139.135 -51.383 1.629 -99.200 -91.000 PHE 164 1.000 140.314 -36.861 -1.073 -99.200 -91.000 PHE 193 1.000 118.132 -46.843 -17.535 -99.200 -91.000 TYR 222 0.840 123.840 -13.486 -48.336 -99.200 -91.000 PHE 229 1.000 127.620 -10.472 -44.562 -99.200 -91.000 PHE 242 1.000 130.973 -2.271 -36.918 -99.200 -91.000 TYR 257 0.840 135.952 -3.134 -37.596 -99.200 -91.000 TYR 270 0.840 124.156 5.376 -35.793 -99.200 -91.000 HIS 271 0.900 121.830 -0.518 -43.457 -99.200 -91.000 HIS 279 0.900 113.737 -12.969 -37.673 -99.200 -91.000 TYR 280 0.840 121.542 -16.068 -40.836 -99.200 -91.000 TYR 290 0.840 118.539 -24.307 -28.126 -99.200 -91.000 HIS 306 0.900 118.166 -41.841 -22.386 -99.200 -91.000 PHE 309 1.000 120.611 -33.208 -15.289 -99.200 -91.000 PHE 343 1.000 112.871 -30.900 -25.010 -99.200 -91.000 TRP 350 1.040 102.588 -41.688 -17.245 -99.200 -91.000 TRP6 350 1.020 104.554 -41.877 -15.957 -99.200 -91.000 PHE 353 1.000 103.793 -30.243 -10.592 -99.200 -91.000 TYR 357 0.840 113.071 -23.668 -4.672 -99.200 -91.000 HIS 367 0.900 118.843 -17.040 5.895 -99.200 -91.000 PHE 378 1.000 112.235 -11.381 -1.977 -99.200 -91.000 HIS 385 0.900 113.018 -8.962 -10.604 -99.200 -91.000 PHE 393 1.000 112.637 3.389 -13.499 -99.200 -91.000 TYR 413 0.840 118.060 -11.828 -10.395 -99.200 -91.000 TYR 417 0.840 124.614 -11.722 -7.733 -99.200 -91.000 TYR 422 0.840 131.134 1.359 -19.917 -99.200 -91.000 PHE 438 1.000 117.741 3.305 -13.240 -99.200 -91.000 TYR 442 0.840 119.639 -2.562 -4.957 -99.200 -91.000 PHE 443 1.000 124.697 -0.375 -3.308 -99.200 -91.000 PHE 446 1.000 115.895 -3.061 -1.561 -99.200 -91.000 TYR 452 0.840 126.362 -10.701 0.668 -99.200 -91.000 TYR 465 0.840 136.966 -20.910 3.963 -99.200 -91.000 HIS 471 0.900 128.030 -25.546 6.962 -99.200 -91.000 TYR 475 0.840 139.776 -23.377 -0.193 -99.200 -91.000 PHE 484 1.000 140.391 -1.558 -9.558 -99.200 -91.000 PHE 489 1.000 136.967 -9.690 -14.140 -99.200 -91.000 HIS 526 0.900 109.702 -40.969 -13.966 -99.200 -91.000 HIS 532 0.900 121.427 -24.132 -13.844 -99.200 -91.000 TYR 569 0.840 101.427 -25.442 -8.049 -99.200 -91.000 HIS 570 0.900 102.719 -22.304 -14.116 -99.200 -91.000 TYR 571 0.840 98.135 -29.998 -14.148 -99.200 -91.000 TRP 575 1.040 109.815 -27.850 -20.014 -99.200 -91.000 TRP6 575 1.020 112.100 -28.117 -20.629 -99.200 -91.000 TYR 576 0.840 104.205 -23.192 -25.900 -99.200 -91.000