============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 8 1.000 0.229 54.867 64.552 -99.200 -91.000 TRP 18 1.040 -9.560 61.117 60.426 -99.200 -91.000 TRP6 18 1.020 -9.479 58.776 60.718 -99.200 -91.000 TRP 63 1.040 -24.099 53.722 51.046 -99.200 -91.000 TRP6 63 1.020 -22.142 54.154 49.800 -99.200 -91.000 TRP 78 1.040 -12.124 50.873 51.802 -99.200 -91.000 TRP6 78 1.020 -14.010 50.145 53.026 -99.200 -91.000 PHE 79 1.000 -9.684 44.736 44.994 -99.200 -91.000 HIS 85 0.900 -1.823 53.429 50.251 -99.200 -91.000 TYR 110 0.840 -10.068 35.861 53.794 -99.200 -91.000 PHE 114 1.000 -14.350 38.165 52.610 -99.200 -91.000 TRP 117 1.040 -18.679 38.229 46.581 -99.200 -91.000 TRP6 117 1.020 -18.712 36.748 44.722 -99.200 -91.000 PHE 118 1.000 -20.211 40.542 50.137 -99.200 -91.000 TYR 126 0.840 -29.606 39.440 39.625 -99.200 -91.000 HIS 133 0.900 -52.969 36.211 44.964 -99.200 -91.000 TRP 155 1.040 -8.373 39.009 69.938 -99.200 -91.000 TRP6 155 1.020 -7.007 37.131 69.433 -99.200 -91.000 PHE 157 1.000 -7.799 35.394 60.591 -99.200 -91.000 PHE 186 1.000 -2.804 51.747 66.684 -99.200 -91.000 PHE 205 1.000 -16.027 51.423 57.839 -99.200 -91.000 PHE 230 1.000 -19.300 39.049 69.121 -99.200 -91.000 PHE 261 1.000 -6.539 18.021 59.284 -99.200 -91.000 PHE 264 1.000 -12.386 8.953 57.466 -99.200 -91.000 PHE 281 1.000 0.902 23.701 64.839 -99.200 -91.000 TYR 295 0.840 -11.576 13.261 66.689 -99.200 -91.000 TYR 301 0.840 -2.229 7.929 66.944 -99.200 -91.000 PHE 304 1.000 -1.574 13.231 60.679 -99.200 -91.000 HIS 316 0.900 12.799 31.125 62.334 -99.200 -91.000 HIS 342 0.900 -7.845 24.158 76.284 -99.200 -91.000 HIS 360 0.900 10.551 30.820 71.973 -99.200 -91.000 PHE 366 1.000 7.387 35.776 70.879 -99.200 -91.000 PHE 367 1.000 2.565 27.141 75.256 -99.200 -91.000 PHE 387 1.000 -9.212 31.891 68.802 -99.200 -91.000 PHE 394 1.000 -8.868 13.999 70.777 -99.200 -91.000 PHE 396 1.000 -11.034 7.834 62.691 -99.200 -91.000 PHE 411 1.000 -17.866 25.376 70.643 -99.200 -91.000 TYR 416 0.840 -10.391 22.315 58.384 -99.200 -91.000 PHE 417 1.000 -14.287 14.165 54.624 -99.200 -91.000 TYR 418 0.840 -6.245 16.240 54.106 -99.200 -91.000 PHE 426 1.000 -20.976 12.402 46.746 -99.200 -91.000 TYR 434 0.840 -18.190 20.278 62.836 -99.200 -91.000 PHE 451 1.000 -15.458 31.390 57.658 -99.200 -91.000 TYR 466 0.840 -26.421 31.160 49.337 -99.200 -91.000 TYR 471 0.840 -24.532 42.988 56.493 -99.200 -91.000 TYR 476 0.840 -46.622 39.546 48.511 -99.200 -91.000