============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 18 1.000 49.323 9.825 15.483 -99.200 -91.000 TYR 27 0.840 42.044 4.298 15.908 -99.200 -91.000 TYR 42 0.840 65.425 5.662 6.381 -99.200 -91.000 PHE 51 1.000 73.923 3.296 5.960 -99.200 -91.000 HIS 54 0.900 76.226 -0.237 10.277 -99.200 -91.000 TRP 72 1.040 53.384 0.148 8.260 -99.200 -91.000 TRP6 72 1.020 54.128 2.001 9.527 -99.200 -91.000 PHE 81 1.000 45.546 18.236 3.863 -99.200 -91.000 HIS 86 0.900 36.481 15.637 6.678 -99.200 -91.000 TYR 98 0.840 41.252 13.707 6.294 -99.200 -91.000 HIS 123 0.900 76.406 13.217 -3.427 -99.200 -91.000 HIS 166 0.900 93.742 14.159 2.989 -99.200 -91.000 PHE 188 1.000 86.158 19.878 24.128 -99.200 -91.000 TYR 192 0.840 87.028 15.440 18.644 -99.200 -91.000 HIS 193 0.900 84.530 17.837 14.693 -99.200 -91.000 PHE 202 1.000 84.947 28.256 12.820 -99.200 -91.000 PHE 252 1.000 52.922 29.152 12.630 -99.200 -91.000 TYR 256 0.840 45.251 19.752 23.972 -99.200 -91.000 TYR 265 0.840 44.599 16.206 15.789 -99.200 -91.000 PHE 281 1.000 53.693 28.058 18.677 -99.200 -91.000 TRP 287 1.040 65.805 9.463 17.746 -99.200 -91.000 TRP6 287 1.020 65.515 8.822 20.008 -99.200 -91.000 HIS 300 0.900 44.381 15.821 24.095 -99.200 -91.000 TYR 309 0.840 56.026 17.336 22.822 -99.200 -91.000 TRP 314 1.040 65.941 14.914 25.132 -99.200 -91.000 TRP6 314 1.020 67.384 13.152 24.474 -99.200 -91.000 TYR 315 0.840 71.373 19.306 20.259 -99.200 -91.000 PHE 316 1.000 70.632 11.241 19.601 -99.200 -91.000 PHE 348 1.000 82.959 19.917 28.041 -99.200 -91.000 PHE 370 1.000 71.338 15.170 28.282 -99.200 -91.000