============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 3 1.000 50.121 67.995 12.659 -99.200 -91.000 PHE 7 1.000 43.973 77.223 9.212 -99.200 -91.000 TYR 24 0.840 37.499 63.347 0.374 -99.200 -91.000 PHE 31 1.000 34.033 77.098 -0.945 -99.200 -91.000 TYR 40 0.840 28.635 86.343 -2.929 -99.200 -91.000 TRP 43 1.040 31.582 75.072 -5.934 -99.200 -91.000 TRP6 43 1.020 33.719 74.539 -5.107 -99.200 -91.000 PHE 58 1.000 32.652 93.213 -1.610 -99.200 -91.000 TRP 72 1.040 39.362 71.881 11.067 -99.200 -91.000 TRP6 72 1.020 41.463 71.723 12.133 -99.200 -91.000 TRP 75 1.040 43.640 67.224 9.491 -99.200 -91.000 TRP6 75 1.020 45.760 67.552 8.503 -99.200 -91.000 HIS 89 0.900 50.361 87.313 6.396 -99.200 -91.000 TYR 94 0.840 39.106 87.633 11.261 -99.200 -91.000 PHE 105 1.000 32.170 78.281 7.115 -99.200 -91.000 TYR 129 0.840 56.767 101.476 -2.841 -99.200 -91.000 PHE 157 1.000 57.691 93.946 11.320 -99.200 -91.000 HIS 197 0.900 46.968 93.658 8.761 -99.200 -91.000 PHE 216 1.000 35.291 85.902 18.400 -99.200 -91.000 TYR 247 0.840 44.512 99.587 15.894 -99.200 -91.000 TRP 252 1.040 53.851 83.989 8.772 -99.200 -91.000 TRP6 252 1.020 51.930 83.010 9.727 -99.200 -91.000