============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 37 0.840 5.055 70.852 32.318 -99.200 -91.000 TRP 40 1.040 13.251 76.256 22.264 -99.200 -91.000 TRP6 40 1.020 13.183 75.984 19.914 -99.200 -91.000 TYR 41 0.840 16.917 69.386 25.732 -99.200 -91.000 TYR 54 0.840 14.051 75.485 33.257 -99.200 -91.000 TRP 55 1.040 8.841 74.988 33.748 -99.200 -91.000 TRP6 55 1.020 9.252 75.979 35.854 -99.200 -91.000 PHE 67 1.000 22.263 80.747 22.868 -99.200 -91.000 PHE 76 1.000 5.469 76.262 22.773 -99.200 -91.000 TYR 91 0.840 20.981 76.208 18.215 -99.200 -91.000 TYR 92 0.840 18.111 67.923 17.395 -99.200 -91.000 TYR 97 0.840 0.218 69.036 28.277 -99.200 -91.000 PHE 103 1.000 14.560 64.898 22.136 -99.200 -91.000 PHE 123 1.000 50.265 66.479 1.782 -99.200 -91.000 PHE 140 1.000 45.510 66.501 4.018 -99.200 -91.000 PHE 144 1.000 36.589 74.068 1.055 -99.200 -91.000 TYR 145 0.840 31.010 80.269 3.455 -99.200 -91.000 TRP 153 1.040 41.976 62.994 -7.008 -99.200 -91.000 TRP6 153 1.020 44.182 63.323 -6.219 -99.200 -91.000 TRP 168 1.040 33.402 69.032 1.725 -99.200 -91.000 TRP6 168 1.020 33.281 67.405 0.019 -99.200 -91.000 TYR 178 0.840 31.530 74.448 5.630 -99.200 -91.000 TYR 191 0.840 52.682 56.741 -7.438 -99.200 -91.000 HIS 194 0.900 49.101 55.777 -15.964 -99.200 -91.000 TYR 197 0.840 50.184 59.694 -10.422 -99.200 -91.000 HIS 203 0.900 35.414 77.724 -3.161 -99.200 -91.000 PHE 214 1.000 52.816 63.360 -7.084 -99.200 -91.000