============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 74 rings ring int. center anis. iso. TYR 8 0.840 3.063 50.499 18.150 -99.200 -91.000 TRP 18 1.040 14.174 57.973 11.207 -99.200 -91.000 TRP6 18 1.020 13.347 55.926 10.332 -99.200 -91.000 PHE 28 1.000 10.581 56.411 14.487 -99.200 -91.000 PHE 42 1.000 26.250 43.024 17.065 -99.200 -91.000 PHE 43 1.000 20.481 38.714 10.480 -99.200 -91.000 PHE 48 1.000 14.714 36.839 22.699 -99.200 -91.000 PHE 50 1.000 24.705 39.631 20.754 -99.200 -91.000 TRP 77 1.040 25.863 54.968 7.098 -99.200 -91.000 TRP6 77 1.020 24.437 54.704 8.963 -99.200 -91.000 TYR 88 0.840 29.684 49.291 18.010 -99.200 -91.000 PHE 90 1.000 28.106 60.705 16.248 -99.200 -91.000 TYR 92 0.840 29.468 51.991 22.557 -99.200 -91.000 TYR 100 0.840 25.821 64.151 20.572 -99.200 -91.000 TRP 105 1.040 25.563 57.367 32.580 -99.200 -91.000 TRP6 105 1.020 27.422 56.741 31.248 -99.200 -91.000 TYR 118 0.840 32.948 60.975 25.140 -99.200 -91.000 HIS 119 0.900 27.571 60.484 31.475 -99.200 -91.000 PHE 131 1.000 37.485 53.569 16.253 -99.200 -91.000 PHE 144 1.000 32.853 44.644 27.124 -99.200 -91.000 TYR 158 0.840 26.528 44.859 31.814 -99.200 -91.000 PHE 159 1.000 28.170 43.372 23.134 -99.200 -91.000 TYR 166 0.840 31.930 61.675 12.999 -99.200 -91.000 TYR 168 0.840 22.409 62.532 6.578 -99.200 -91.000 PHE 193 1.000 10.924 47.335 2.479 -99.200 -91.000 TYR 206 0.840 9.894 52.157 6.688 -99.200 -91.000 TYR 211 0.840 23.322 52.840 -2.438 -99.200 -91.000 TYR 212 0.840 19.265 44.415 3.835 -99.200 -91.000 TRP 213 1.040 23.557 43.760 5.155 -99.200 -91.000 TRP6 213 1.020 23.035 41.534 5.741 -99.200 -91.000 TYR 224 0.840 4.932 50.165 10.965 -99.200 -91.000 TYR 241 0.840 -3.908 51.518 8.955 -99.200 -91.000 TYR 252 0.840 -6.739 37.655 21.623 -99.200 -91.000 TYR 261 0.840 -7.851 41.815 9.054 -99.200 -91.000 TYR 270 0.840 3.577 45.118 28.949 -99.200 -91.000 TYR 275 0.840 8.338 53.127 37.410 -99.200 -91.000 TYR 276 0.840 4.319 53.156 45.579 -99.200 -91.000 HIS 280 0.900 17.451 65.385 43.666 -99.200 -91.000 TYR 281 0.840 19.811 61.153 36.621 -99.200 -91.000 TYR 307 0.840 0.457 43.133 50.375 -99.200 -91.000 PHE 318 1.000 -12.346 46.841 32.316 -99.200 -91.000 PHE 334 1.000 13.777 38.113 29.572 -99.200 -91.000 PHE 337 1.000 18.501 33.537 34.458 -99.200 -91.000 TYR 345 0.840 3.208 44.219 46.888 -99.200 -91.000 TRP 362 1.040 0.824 56.770 57.558 -99.200 -91.000 TRP6 362 1.020 0.550 59.007 56.933 -99.200 -91.000 TYR 370 0.840 -10.251 60.019 51.910 -99.200 -91.000 TYR 382 0.840 -3.210 56.251 39.297 -99.200 -91.000 TYR 398 0.840 -5.969 49.567 39.510 -99.200 -91.000 TRP 402 1.040 -4.704 52.641 45.965 -99.200 -91.000 TRP6 402 1.020 -4.064 53.432 43.835 -99.200 -91.000 TYR 412 0.840 0.335 66.280 36.861 -99.200 -91.000 PHE 419 1.000 4.057 56.836 25.561 -99.200 -91.000 TRP 422 1.040 3.774 58.911 32.447 -99.200 -91.000 TRP6 422 1.020