============================================================================= 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 5 1.000 23.971 14.155 42.377 -99.200 -91.000 HIS 22 0.900 12.254 45.467 30.377 -99.200 -91.000 PHE 24 1.000 14.100 36.938 32.352 -99.200 -91.000 TYR 36 0.840 34.490 11.158 34.086 -99.200 -91.000 PHE 43 1.000 20.581 26.622 30.821 -99.200 -91.000 TRP 54 1.040 20.838 33.808 26.200 -99.200 -91.000 TRP6 54 1.020 19.432 32.317 27.395 -99.200 -91.000 PHE 65 1.000 24.311 17.032 38.131 -99.200 -91.000 TYR 68 0.840 32.657 18.878 46.856 -99.200 -91.000 HIS 71 0.900 41.952 15.714 48.617 -99.200 -91.000 HIS 75 0.900 35.621 18.925 53.975 -99.200 -91.000 PHE 77 1.000 24.196 21.866 51.836 -99.200 -91.000 PHE 78 1.000 27.058 22.719 46.696 -99.200 -91.000 TYR 86 0.840 21.359 22.261 46.618 -99.200 -91.000 PHE 93 1.000 24.377 43.232 46.537 -99.200 -91.000 PHE 94 1.000 24.442 41.673 37.345 -99.200 -91.000 TYR 100 0.840 20.161 39.458 37.245 -99.200 -91.000 PHE 108 1.000 18.618 13.278 41.918 -99.200 -91.000 PHE 124 1.000 19.853 44.866 36.905 -99.200 -91.000 HIS 133 0.900 20.169 42.410 25.726 -99.200 -91.000 TYR 137 0.840 26.706 33.444 24.016 -99.200 -91.000 TYR 139 0.840 36.629 29.124 29.638 -99.200 -91.000 HIS 142 0.900 35.479 34.965 37.562 -99.200 -91.000 TYR 145 0.840 37.433 31.791 46.774 -99.200 -91.000 PHE 159 1.000 29.817 32.768 42.830 -99.200 -91.000 HIS 163 0.900 28.811 38.644 33.929 -99.200 -91.000 HIS 175 0.900 27.351 35.896 41.044 -99.200 -91.000 TYR 176 0.840 28.050 39.335 48.721 -99.200 -91.000 HIS 193 0.900 34.421 23.159 49.907 -99.200 -91.000 TYR 194 0.840 39.616 26.950 45.179 -99.200 -91.000 HIS 211 0.900 20.466 29.097 20.731 -99.200 -91.000 PHE 217 1.000 34.470 20.057 31.489 -99.200 -91.000