============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. HIS 7 0.900 14.943 66.613 7.081 -99.200 -91.000 TYR 16 0.840 12.382 59.798 2.674 -99.200 -91.000 PHE 33 1.000 6.190 61.357 11.670 -99.200 -91.000 TRP 41 1.040 11.976 53.837 19.946 -99.200 -91.000 TRP6 41 1.020 14.206 54.673 20.171 -99.200 -91.000 PHE 43 1.000 18.591 58.390 20.927 -99.200 -91.000 HIS 55 0.900 21.261 60.511 18.954 -99.200 -91.000 TYR 58 0.840 9.377 63.947 26.910 -99.200 -91.000 TRP 74 1.040 9.750 51.669 26.128 -99.200 -91.000 TRP6 74 1.020 11.262 51.753 24.306 -99.200 -91.000 TYR 78 0.840 12.579 49.210 16.063 -99.200 -91.000 TYR 88 0.840 8.379 59.912 31.912 -99.200 -91.000 PHE 97 1.000 -5.264 66.503 15.378 -99.200 -91.000 PHE 114 1.000 17.172 52.658 16.842 -99.200 -91.000 PHE 128 1.000 -3.640 48.397 11.097 -99.200 -91.000 HIS 137 0.900 -2.354 47.939 32.279 -99.200 -91.000 TRP 142 1.040 0.504 61.935 17.556 -99.200 -91.000 TRP6 142 1.020 -0.448 62.663 15.500 -99.200 -91.000 PHE 143 1.000 -3.588 57.301 11.142 -99.200 -91.000 PHE 155 1.000 -0.480 57.411 8.373 -99.200 -91.000 HIS 161 0.900 16.875 60.610 -5.199 -99.200 -91.000 TYR 167 0.840 5.954 60.795 6.795 -99.200 -91.000 PHE 169 1.000 -0.256 62.302 10.726 -99.200 -91.000 TYR 171 0.840 -4.438 67.835 4.246 -99.200 -91.000 TYR 183 0.840 -8.530 54.650 -1.063 -99.200 -91.000 PHE 192 1.000 4.423 43.912 10.305 -99.200 -91.000 TRP 193 1.040 -0.457 50.763 8.112 -99.200 -91.000 TRP6 193 1.020 -2.654 51.561 7.770 -99.200 -91.000 PHE 195 1.000 0.475 46.770 -0.714 -99.200 -91.000 TYR 200 0.840 6.281 40.828 -11.437 -99.200 -91.000 TYR 233 0.840 14.108 46.493 -12.006 -99.200 -91.000 TYR 234 0.840 18.119 44.336 -10.302 -99.200 -91.000 TYR 242 0.840 23.873 39.296 -3.732 -99.200 -91.000 PHE 251 1.000 21.730 49.347 -10.975 -99.200 -91.000 PHE 260 1.000 8.157 45.913 -9.587 -99.200 -91.000 PHE 262 1.000 3.100 48.860 -6.574 -99.200 -91.000 PHE 288 1.000 22.254 48.105 -2.627 -99.200 -91.000 PHE 302 1.000 4.824 46.449 -2.590 -99.200 -91.000 PHE 314 1.000 0.807 54.284 4.948 -99.200 -91.000 TRP 323 1.040 -0.244 51.902 -2.943 -99.200 -91.000 TRP6 323 1.020 2.103 52.038 -2.796 -99.200 -91.000