============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 3 1.000 42.291 68.936 -29.051 -99.200 -91.000 PHE 7 1.000 48.809 77.868 -25.194 -99.200 -91.000 TYR 24 0.840 54.091 63.676 -17.703 -99.200 -91.000 PHE 31 1.000 58.653 76.714 -15.219 -99.200 -91.000 TYR 40 0.840 64.461 85.495 -12.744 -99.200 -91.000 TRP 43 1.040 60.852 74.042 -10.527 -99.200 -91.000 TRP6 43 1.020 58.655 73.816 -11.363 -99.200 -91.000 PHE 58 1.000 60.828 92.649 -13.601 -99.200 -91.000 TRP 72 1.040 53.053 72.675 -27.515 -99.200 -91.000 TRP6 72 1.020 50.940 72.578 -28.557 -99.200 -91.000 TRP 75 1.040 48.303 67.733 -26.231 -99.200 -91.000 TRP6 75 1.020 46.377 67.504 -24.874 -99.200 -91.000 HIS 89 0.900 42.715 87.977 -21.920 -99.200 -91.000 TYR 94 0.840 54.013 88.224 -26.852 -99.200 -91.000 PHE 105 1.000 60.637 78.264 -23.305 -99.200 -91.000 TYR 129 0.840 36.897 102.266 -12.232 -99.200 -91.000 PHE 157 1.000 35.425 94.895 -26.449 -99.200 -91.000 HIS 197 0.900 46.243 94.308 -23.972 -99.200 -91.000 PHE 216 1.000 57.707 86.823 -34.005 -99.200 -91.000 TYR 247 0.840 48.861 100.561 -30.871 -99.200 -91.000 TRP 252 1.040 39.141 84.914 -24.360 -99.200 -91.000 TRP6 252 1.020 41.040 83.928 -25.360 -99.200 -91.000