============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 -0.801 -12.739 6.034 -99.200 -91.000 PHE 29 1.000 5.144 -14.855 6.068 -99.200 -91.000 TYR 32 0.840 -0.420 -9.215 2.218 -99.200 -91.000 TYR 33 0.840 7.408 -4.685 0.909 -99.200 -91.000 TRP 36 1.040 9.922 -8.579 13.747 -99.200 -91.000 TRP6 36 1.020 8.768 -9.644 15.509 -99.200 -91.000 TRP 47 1.040 9.523 -0.065 10.533 -99.200 -91.000 TRP6 47 1.020 11.655 0.179 9.543 -99.200 -91.000 PHE 50 1.000 10.678 -2.412 4.620 -99.200 -91.000 TYR 58 0.840 10.645 -14.117 -0.052 -99.200 -91.000 TYR 62 0.840 17.860 -5.237 9.551 -99.200 -91.000 PHE 70 1.000 17.422 -5.596 18.051 -99.200 -91.000 PHE 80 1.000 6.053 -19.751 13.210 -99.200 -91.000 TYR 82 0.840 11.378 -17.585 12.801 -99.200 -91.000 TYR 96 0.840 11.321 -5.760 20.997 -99.200 -91.000 TYR 97 0.840 2.730 -3.954 20.013 -99.200 -91.000 TYR 109 0.840 1.052 -0.097 -2.279 -99.200 -91.000 TYR 114 0.840 -5.696 -7.419 9.225 -99.200 -91.000 TRP 115 1.040 -0.298 -2.811 13.895 -99.200 -91.000 TRP6 115 1.020 1.544 -1.648 14.812 -99.200 -91.000 TYR 134 0.840 0.617 -12.527 49.990 -99.200 -91.000 TYR 153 0.840 4.934 -9.162 39.048 -99.200 -91.000 PHE 154 1.000 13.023 -8.120 36.944 -99.200 -91.000 TRP 162 1.040 -10.696 -10.111 39.281 -99.200 -91.000 TRP6 162 1.020 -10.519 -10.706 41.563 -99.200 -91.000 HIS 172 0.900 -11.486 0.177 37.949 -99.200 -91.000 PHE 174 1.000 -5.929 -0.018 40.799 -99.200 -91.000 TYR 183 0.840 8.350 -4.821 37.395 -99.200 -91.000 TRP 196 1.040 -17.342 -12.774 47.911 -99.200 -91.000 TRP6 196 1.020 -16.866 -11.603 49.903 -99.200 -91.000 HIS 207 0.900 6.312 -13.938 36.821 -99.200 -91.000