============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 27 0.840 35.184 29.306 21.732 -99.200 -91.000 PHE 29 1.000 39.832 25.886 18.410 -99.200 -91.000 TYR 32 0.840 30.564 27.996 20.160 -99.200 -91.000 TYR 33 0.840 31.585 24.266 11.426 -99.200 -91.000 TRP 36 1.040 41.036 32.070 9.640 -99.200 -91.000 TRP6 36 1.020 42.593 33.485 10.714 -99.200 -91.000 TRP 47 1.040 33.670 33.223 4.518 -99.200 -91.000 TRP6 47 1.020 33.572 31.387 3.028 -99.200 -91.000 TRP 50 1.040 32.794 27.172 6.508 -99.200 -91.000 TRP6 50 1.020 33.044 24.832 6.807 -99.200 -91.000 TYR 60 0.840 40.527 26.536 1.988 -99.200 -91.000 PHE 64 1.000 40.595 35.226 -0.590 -99.200 -91.000 TYR 80 0.840 48.274 27.744 13.926 -99.200 -91.000 PHE 92 1.000 43.813 46.494 9.774 -99.200 -91.000 TYR 93 0.840 44.741 38.889 5.385 -99.200 -91.000 PHE 94 1.000 39.092 42.234 10.994 -99.200 -91.000 TYR 102 0.840 20.320 25.575 22.432 -99.200 -91.000 TYR 103 0.840 21.415 31.630 18.860 -99.200 -91.000 TYR 107 0.840 32.164 36.174 22.230 -99.200 -91.000 TRP 108 1.040 33.511 39.190 14.117 -99.200 -91.000 TRP6 108 1.020 34.079 39.546 11.847 -99.200 -91.000 PHE 127 1.000 60.915 67.999 0.858 -99.200 -91.000 TYR 150 0.840 55.667 58.245 6.208 -99.200 -91.000 PHE 151 1.000 57.512 50.112 4.357 -99.200 -91.000 TRP 159 1.040 51.289 71.609 12.917 -99.200 -91.000 TRP6 159 1.020 52.397 72.811 11.212 -99.200 -91.000 HIS 169 0.900 41.434 69.865 9.430 -99.200 -91.000 PHE 171 1.000 44.599 66.844 4.852 -99.200 -91.000 TYR 181 0.840 52.831 53.630 3.967 -99.200 -91.000 TYR 199 0.840 51.843 80.268 13.027 -99.200 -91.000 HIS 205 0.900 59.394 56.501 10.073 -99.200 -91.000