============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 27 0.840 15.284 27.077 44.536 -99.200 -91.000 PHE 29 1.000 14.810 23.190 49.740 -99.200 -91.000 HIS 31 0.900 23.651 24.422 44.726 -99.200 -91.000 TYR 32 0.840 19.641 30.284 45.225 -99.200 -91.000 TRP 36 1.040 10.963 28.839 58.028 -99.200 -91.000 TRP6 36 1.020 9.025 27.918 56.985 -99.200 -91.000 TRP 47 1.040 14.311 37.009 58.948 -99.200 -91.000 TRP6 47 1.020 16.116 36.656 60.445 -99.200 -91.000 TRP 50 1.040 19.719 32.608 58.335 -99.200 -91.000 TRP6 50 1.020 21.250 31.526 56.883 -99.200 -91.000 HIS 54 0.900 26.634 22.538 51.732 -99.200 -91.000 TYR 60 0.840 15.643 28.344 65.649 -99.200 -91.000 PHE 64 1.000 8.956 34.869 65.615 -99.200 -91.000 PHE 68 1.000 7.852 30.352 67.422 -99.200 -91.000 PHE 70 1.000 13.378 28.735 61.615 -99.200 -91.000 TYR 80 0.840 9.282 19.238 56.447 -99.200 -91.000 TYR 93 0.840 3.409 31.344 61.816 -99.200 -91.000 PHE 94 1.000 3.224 35.285 53.969 -99.200 -91.000 HIS 99 0.900 18.457 39.588 45.981 -99.200 -91.000 PHE 101 1.000 22.616 44.181 48.358 -99.200 -91.000 TYR 105 0.840 11.581 33.190 42.528 -99.200 -91.000 TRP 106 1.040 8.634 36.808 49.668 -99.200 -91.000 TRP6 106 1.020 8.295 37.445 51.925 -99.200 -91.000 TYR 125 0.840 -27.989 27.487 52.225 -99.200 -91.000 TYR 145 0.840 -16.838 29.642 56.440 -99.200 -91.000 PHE 146 1.000 -13.782 28.317 64.405 -99.200 -91.000 TRP 154 1.040 -18.173 32.082 41.161 -99.200 -91.000 TRP6 154 1.020 -20.471 31.532 41.249 -99.200 -91.000 HIS 164 0.900 -16.378 42.301 42.455 -99.200 -91.000 PHE 166 1.000 -18.810 40.981 47.877 -99.200 -91.000 TYR 175 0.840 -14.899 33.036 60.781 -99.200 -91.000 TRP 188 1.040 -27.245 31.003 34.840 -99.200 -91.000 TRP6 188 1.020 -29.225 32.114 35.527 -99.200 -91.000 HIS 199 0.900 -14.549 24.742 56.638 -99.200 -91.000