============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 8 0.840 40.155 29.235 -6.753 -99.200 -91.000 TYR 13 0.840 38.020 33.087 -4.008 -99.200 -91.000 TRP 27 1.040 31.779 12.790 6.402 -99.200 -91.000 TRP6 27 1.020 29.918 14.170 6.897 -99.200 -91.000 PHE 29 1.000 37.493 19.085 9.647 -99.200 -91.000 TYR 68 0.840 28.851 8.474 -0.690 -99.200 -91.000 PHE 73 1.000 28.929 20.199 -1.187 -99.200 -91.000 TYR 75 0.840 22.255 19.801 7.690 -99.200 -91.000 TYR 88 0.840 26.966 22.272 15.968 -99.200 -91.000 TYR 90 0.840 36.223 18.382 14.366 -99.200 -91.000 TYR 99 0.840 21.025 25.281 11.657 -99.200 -91.000 TYR 111 0.840 24.402 17.535 -4.952 -99.200 -91.000 PHE 143 1.000 47.479 11.045 0.662 -99.200 -91.000 PHE 145 1.000 54.692 7.449 7.429 -99.200 -91.000 TYR 146 0.840 53.507 15.353 -0.561 -99.200 -91.000 TYR 151 0.840 51.213 10.111 -3.452 -99.200 -91.000 TYR 152 0.840 52.237 8.101 -11.140 -99.200 -91.000 HIS 163 0.900 41.418 11.719 3.781 -99.200 -91.000 TYR 170 0.840 44.269 24.566 -12.976 -99.200 -91.000 HIS 178 0.900 51.044 21.299 -8.854 -99.200 -91.000 TRP 179 1.040 44.451 17.317 -10.172 -99.200 -91.000 TRP6 179 1.020 42.986 18.851 -11.213 -99.200 -91.000 TRP 185 1.040 44.450 13.207 7.569 -99.200 -91.000 TRP6 185 1.020 45.630 11.652 6.234 -99.200 -91.000 TRP 189 1.040 49.864 14.126 6.067 -99.200 -91.000 TRP6 189 1.020 49.175 14.931 3.952 -99.200 -91.000 TYR 194 0.840 47.211 23.659 1.591 -99.200 -91.000 PHE 213 1.000 30.601 22.882 -9.151 -99.200 -91.000