============================================================================= 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 2 1.000 -19.564 -38.605 9.426 -99.200 -91.000 TYR 13 0.840 -28.944 -43.755 12.448 -99.200 -91.000 HIS 28 0.900 -18.126 -32.310 -12.862 -99.200 -91.000 TYR 30 0.840 -21.400 -35.402 -8.365 -99.200 -91.000 PHE 32 1.000 -13.434 -38.839 0.590 -99.200 -91.000 PHE 58 1.000 -19.042 -45.396 -3.243 -99.200 -91.000 PHE 61 1.000 -20.774 -39.715 -9.207 -99.200 -91.000 PHE 96 1.000 -24.420 -45.158 1.046 -99.200 -91.000 HIS 97 0.900 -25.669 -52.900 -2.468 -99.200 -91.000 PHE 107 1.000 -10.615 -64.467 20.845 -99.200 -91.000 TRP 112 1.040 1.324 -62.703 12.304 -99.200 -91.000 TRP6 112 1.020 -0.907 -62.540 13.052 -99.200 -91.000 TYR 139 0.840 -12.352 -35.407 3.024 -99.200 -91.000 TRP 161 1.040 3.986 -39.373 7.068 -99.200 -91.000 TRP6 161 1.020 3.471 -40.908 8.782 -99.200 -91.000 PHE 177 1.000 -7.203 -39.512 7.217 -99.200 -91.000 PHE 180 1.000 -7.187 -38.669 1.244 -99.200 -91.000 TRP 210 1.040 1.257 -35.950 11.485 -99.200 -91.000 TRP6 210 1.020 0.728 -34.884 9.443 -99.200 -91.000 PHE 223 1.000 -14.699 -51.623 -15.340 -99.200 -91.000 TRP 231 1.040 0.929 -48.686 7.657 -99.200 -91.000 TRP6 231 1.020 1.561 -50.863 8.378 -99.200 -91.000