============================================================================= 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 13 0.840 6.277 37.879 47.063 -99.200 -91.000 TYR 16 0.840 14.070 37.047 33.741 -99.200 -91.000 TYR 24 0.840 25.051 34.329 30.344 -99.200 -91.000 PHE 29 1.000 16.226 34.022 38.200 -99.200 -91.000 TYR 32 0.840 10.292 38.897 51.366 -99.200 -91.000 PHE 46 1.000 20.633 27.129 51.955 -99.200 -91.000 TYR 48 0.840 21.242 30.869 47.095 -99.200 -91.000 TYR 58 0.840 2.758 30.904 42.539 -99.200 -91.000 TRP 67 1.040 -0.710 17.478 44.157 -99.200 -91.000 TRP6 67 1.020 -1.431 19.552 45.065 -99.200 -91.000 HIS 77 0.900 12.206 13.567 47.161 -99.200 -91.000 TYR 90 0.840 -7.015 19.392 54.258 -99.200 -91.000 PHE 98 1.000 3.656 24.734 51.949 -99.200 -91.000 PHE 102 1.000 8.375 33.417 52.710 -99.200 -91.000 TYR 111 0.840 -14.664 48.095 42.807 -99.200 -91.000 TYR 131 0.840 -18.160 38.748 42.909 -99.200 -91.000 PHE 142 1.000 -11.844 31.279 51.761 -99.200 -91.000 PHE 143 1.000 -13.734 33.809 47.546 -99.200 -91.000 TYR 151 0.840 -16.392 34.418 52.596 -99.200 -91.000 TRP 155 1.040 -17.179 27.828 43.444 -99.200 -91.000 TRP6 155 1.020 -15.283 28.309 42.061 -99.200 -91.000 PHE 157 1.000 -20.526 37.392 39.292 -99.200 -91.000 TYR 182 0.840 -12.301 41.288 37.649 -99.200 -91.000 TYR 193 0.840 5.060 45.306 44.089 -99.200 -91.000 TYR 213 0.840 2.606 34.534 50.231 -99.200 -91.000 TYR 223 0.840 18.926 21.136 53.693 -99.200 -91.000 HIS 241 0.900 8.771 46.187 59.597 -99.200 -91.000 TRP 247 1.040 13.066 43.364 48.002 -99.200 -91.000 TRP6 247 1.020 14.034 43.756 45.863 -99.200 -91.000 TRP 248 1.040 4.934 44.600 49.701 -99.200 -91.000 TRP6 248 1.020 6.318 42.644 49.484 -99.200 -91.000