============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 30 0.840 27.650 -6.248 46.054 -99.200 -91.000 TYR 36 0.840 25.710 -1.785 42.250 -99.200 -91.000 TRP 39 1.040 16.994 -0.853 31.085 -99.200 -91.000 TRP6 39 1.020 16.211 -2.494 29.569 -99.200 -91.000 TYR 53 0.840 22.807 6.258 37.030 -99.200 -91.000 PHE 66 1.000 13.967 6.862 25.982 -99.200 -91.000 PHE 75 1.000 16.016 -5.956 37.152 -99.200 -91.000 TYR 90 0.840 15.901 1.374 22.950 -99.200 -91.000 TYR 91 0.840 22.645 -4.405 22.745 -99.200 -91.000 HIS 97 0.900 25.160 -11.992 41.156 -99.200 -91.000 PHE 98 1.000 34.612 -10.457 37.498 -99.200 -91.000 PHE 102 1.000 27.565 -5.660 28.175 -99.200 -91.000 PHE 120 1.000 15.968 9.566 -7.566 -99.200 -91.000 PHE 122 1.000 22.492 7.226 -9.474 -99.200 -91.000 PHE 143 1.000 12.160 1.322 0.334 -99.200 -91.000 TYR 144 0.840 7.365 1.769 7.456 -99.200 -91.000 TRP 152 1.040 18.687 -5.194 -11.576 -99.200 -91.000 TRP6 152 1.020 19.256 -2.994 -12.225 -99.200 -91.000 TYR 177 0.840 13.121 0.430 6.779 -99.200 -91.000 TYR 190 0.840 26.582 -1.053 -20.314 -99.200 -91.000 HIS 193 0.900 22.039 -8.057 -23.796 -99.200 -91.000 TYR 196 0.840 21.894 -2.776 -19.837 -99.200 -91.000 HIS 202 0.900 6.818 0.215 -0.793 -99.200 -91.000 PHE 213 1.000 21.210 2.678 -18.667 -99.200 -91.000