============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 18 1.000 -11.781 -10.281 37.901 -99.200 -91.000 PHE 45 1.000 4.889 0.605 18.913 -99.200 -91.000 TRP 48 1.040 9.250 -3.662 24.666 -99.200 -91.000 TRP6 48 1.020 11.348 -3.373 25.693 -99.200 -91.000 TYR 52 0.840 8.820 0.796 19.461 -99.200 -91.000 PHE 55 1.000 2.287 5.982 20.762 -99.200 -91.000 TYR 61 0.840 -1.158 6.183 32.719 -99.200 -91.000 TYR 71 0.840 -18.257 4.257 26.345 -99.200 -91.000 TRP 72 1.040 -19.571 1.267 35.121 -99.200 -91.000 TRP6 72 1.020 -19.650 -0.317 36.896 -99.200 -91.000 TYR 80 0.840 6.328 -5.614 40.277 -99.200 -91.000 TYR 81 0.840 7.152 -0.821 39.199 -99.200 -91.000 TYR 95 0.840 -12.532 12.939 33.065 -99.200 -91.000 TYR 99 0.840 -10.002 4.661 43.792 -99.200 -91.000 TYR 103 0.840 -3.032 -8.796 45.312 -99.200 -91.000 TYR 131 0.840 4.714 -15.379 44.542 -99.200 -91.000 PHE 134 1.000 2.185 -7.168 43.446 -99.200 -91.000 TYR 141 0.840 1.282 5.892 49.644 -99.200 -91.000 TRP 143 1.040 -3.275 6.803 48.071 -99.200 -91.000 TRP6 143 1.020 -2.244 5.614 46.307 -99.200 -91.000 PHE 147 1.000 -15.530 -2.970 45.962 -99.200 -91.000 PHE 158 1.000 -15.817 -13.466 36.946 -99.200 -91.000 PHE 175 1.000 -11.695 10.532 43.730 -99.200 -91.000 TYR 192 0.840 20.123 -7.869 25.861 -99.200 -91.000 PHE 213 1.000 22.584 -0.812 35.462 -99.200 -91.000 PHE 229 1.000 20.144 -4.107 32.649 -99.200 -91.000 TYR 236 0.840 27.828 -11.442 32.868 -99.200 -91.000