============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 8 1.000 -2.737 9.264 17.678 -99.200 -91.000 TYR 24 0.840 3.419 6.546 33.525 -99.200 -91.000 TRP 39 1.040 8.305 6.117 18.529 -99.200 -91.000 TRP6 39 1.020 6.999 7.952 19.265 -99.200 -91.000 PHE 44 1.000 12.639 -5.366 3.133 -99.200 -91.000 TRP 62 1.040 22.927 10.277 14.324 -99.200 -91.000 TRP6 62 1.020 24.843 8.923 14.304 -99.200 -91.000 HIS 68 0.900 19.047 -9.182 19.629 -99.200 -91.000 TYR 72 0.840 23.277 -14.269 18.931 -99.200 -91.000 TRP 74 1.040 21.421 -17.853 16.392 -99.200 -91.000 TRP6 74 1.020 19.575 -16.506 16.872 -99.200 -91.000 PHE 78 1.000 22.347 -9.102 8.527 -99.200 -91.000 HIS 90 0.900 -1.054 0.481 10.259 -99.200 -91.000 TYR 95 0.840 7.366 1.729 -2.172 -99.200 -91.000 TYR 109 0.840 29.176 4.937 14.309 -99.200 -91.000 HIS 111 0.900 28.885 -0.295 24.737 -99.200 -91.000 TYR 114 0.840 26.248 -7.474 20.996 -99.200 -91.000 TRP 116 1.040 29.672 -11.293 20.391 -99.200 -91.000 TRP6 116 1.020 30.664 -13.422 20.109 -99.200 -91.000 PHE 135 1.000 12.176 14.651 11.727 -99.200 -91.000 TYR 138 0.840 1.085 9.343 7.499 -99.200 -91.000 HIS 140 0.900 7.604 14.451 15.574 -99.200 -91.000 TYR 157 0.840 5.509 4.560 37.849 -99.200 -91.000 TRP 164 1.040 5.453 -3.884 11.172 -99.200 -91.000 TRP6 164 1.020 7.068 -2.188 11.394 -99.200 -91.000 PHE 201 1.000 13.415 -1.606 31.029 -99.200 -91.000 TYR 205 0.840 0.016 -6.921 32.156 -99.200 -91.000 PHE 224 1.000 9.056 -0.628 28.382 -99.200 -91.000 PHE 230 1.000 6.834 14.326 36.025 -99.200 -91.000 TRP 234 1.040 4.255 9.255 23.300 -99.200 -91.000 TRP6 234 1.020 3.401 7.368 24.415 -99.200 -91.000 TYR 235 0.840 11.090 12.168 27.666 -99.200 -91.000 TRP 242 1.040 18.218 -10.975 27.353 -99.200 -91.000 TRP6 242 1.020 17.503 -12.470 29.029 -99.200 -91.000 TYR 252 0.840 8.385 -11.744 34.793 -99.200 -91.000 PHE 254 1.000 15.235 -10.247 31.718 -99.200 -91.000 TYR 255 0.840 11.427 -4.882 26.881 -99.200 -91.000 HIS 257 0.900 18.296 1.645 32.515 -99.200 -91.000 PHE 259 1.000 20.052 8.353 32.345 -99.200 -91.000 TRP 264 1.040 28.789 3.701 22.704 -99.200 -91.000 TRP6 264 1.020 26.995 3.115 21.297 -99.200 -91.000 PHE 272 1.000 32.441 8.559 15.128 -99.200 -91.000