============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TRP 13 1.040 53.611 2.341 39.184 -99.200 -91.000 TRP6 13 1.020 55.510 3.555 38.461 -99.200 -91.000 PHE 26 1.000 52.500 4.269 18.281 -99.200 -91.000 TYR 28 0.840 60.653 -1.822 13.917 -99.200 -91.000 TRP 42 1.040 56.917 8.199 12.899 -99.200 -91.000 TRP6 42 1.020 59.095 9.097 13.124 -99.200 -91.000 TYR 56 0.840 48.139 7.123 32.556 -99.200 -91.000 HIS 74 0.900 29.311 13.472 45.104 -99.200 -91.000 TRP 85 1.040 44.277 18.188 40.234 -99.200 -91.000 TRP6 85 1.020 45.927 19.425 39.081 -99.200 -91.000 TYR 88 0.840 39.349 15.020 35.343 -99.200 -91.000 TRP 91 1.040 42.080 13.360 29.345 -99.200 -91.000 TRP6 91 1.020 40.024 13.211 30.510 -99.200 -91.000 PHE 114 1.000 44.458 28.223 13.848 -99.200 -91.000 PHE 139 1.000 26.851 27.643 40.471 -99.200 -91.000 TRP 141 1.040 25.941 16.802 38.245 -99.200 -91.000 TRP6 141 1.020 26.482 15.027 36.769 -99.200 -91.000 PHE 143 1.000 32.217 25.359 35.340 -99.200 -91.000 TYR 144 0.840 28.800 15.226 32.401 -99.200 -91.000 PHE 150 1.000 33.263 24.804 24.855 -99.200 -91.000 PHE 151 1.000 32.363 14.063 22.801 -99.200 -91.000 TRP 162 1.040 37.721 18.182 10.503 -99.200 -91.000 TRP6 162 1.020 39.312 17.446 12.087 -99.200 -91.000 PHE 175 1.000 37.366 11.382 8.806 -99.200 -91.000 TRP 186 1.040 38.030 10.767 21.498 -99.200 -91.000 TRP6 186 1.020 38.609 13.047 21.191 -99.200 -91.000 TYR 189 0.840 38.474 9.019 27.599 -99.200 -91.000 TRP 193 1.040 33.852 13.932 35.637 -99.200 -91.000 TRP6 193 1.020 31.982 15.040 36.588 -99.200 -91.000 TRP 211 1.040 42.900 -0.749 37.148 -99.200 -91.000 TRP6 211 1.020 44.300 -1.501 35.385 -99.200 -91.000 TYR 213 0.840 38.255 8.877 33.879 -99.200 -91.000 PHE 219 1.000 41.168 -1.275 23.766 -99.200 -91.000 TYR 222 0.840 48.790 4.162 25.437 -99.200 -91.000 PHE 224 1.000 43.017 7.727 16.627 -99.200 -91.000 PHE 226 1.000 49.694 -1.433 15.285 -99.200 -91.000 TRP 231 1.040 45.209 3.311 5.549 -99.200 -91.000 TRP6 231 1.020 45.575 5.330 4.374 -99.200 -91.000