============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 27 1.000 4.150 -7.189 9.018 -99.200 -91.000 PHE 29 1.000 1.400 -2.694 12.624 -99.200 -91.000 TYR 32 0.840 2.540 -5.501 4.217 -99.200 -91.000 TYR 33 0.840 -5.394 -1.086 2.997 -99.200 -91.000 TRP 36 1.040 -8.355 -7.363 14.590 -99.200 -91.000 TRP6 36 1.020 -7.323 -8.874 16.086 -99.200 -91.000 TRP 47 1.040 -12.562 -8.327 6.690 -99.200 -91.000 TRP6 47 1.020 -13.829 -6.346 6.463 -99.200 -91.000 PHE 50 1.000 -9.993 -2.425 5.141 -99.200 -91.000 TYR 58 0.840 -1.359 4.623 10.214 -99.200 -91.000 TYR 62 0.840 -14.629 -0.962 12.469 -99.200 -91.000 PHE 70 1.000 -16.911 -7.554 17.946 -99.200 -91.000 TYR 82 0.840 -3.351 -2.619 20.848 -99.200 -91.000 TYR 96 0.840 -13.215 -12.901 18.029 -99.200 -91.000 TYR 97 0.840 -7.913 -17.888 12.977 -99.200 -91.000 TYR 106 0.840 8.411 0.703 -0.471 -99.200 -91.000 TYR 109 0.840 -2.558 -4.026 -4.457 -99.200 -91.000 PHE 112 1.000 -7.298 -10.908 4.607 -99.200 -91.000 TYR 114 0.840 3.610 -13.963 5.699 -99.200 -91.000 TRP 115 1.040 -4.519 -15.977 7.228 -99.200 -91.000 TRP6 115 1.020 -6.835 -15.749 7.629 -99.200 -91.000 TYR 134 0.840 -8.664 -38.051 36.257 -99.200 -91.000 TYR 152 0.840 -11.080 -29.050 28.584 -99.200 -91.000 PHE 153 1.000 -16.988 -23.174 30.058 -99.200 -91.000 TRP 161 1.040 0.702 -37.765 23.640 -99.200 -91.000 TRP6 161 1.020 0.336 -39.143 25.518 -99.200 -91.000 TYR 163 0.840 8.124 -32.012 28.778 -99.200 -91.000 PHE 181 1.000 -17.448 -28.316 35.086 -99.200 -91.000 TYR 182 0.840 -16.275 -27.407 26.112 -99.200 -91.000 TRP 195 1.040 4.982 -46.880 28.948 -99.200 -91.000 TRP6 195 1.020 3.406 -48.501 29.616 -99.200 -91.000 HIS 206 0.900 -8.154 -24.600 30.743 -99.200 -91.000