============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TYR 17 0.840 12.138 21.743 13.191 -99.200 -91.000 PHE 34 1.000 17.750 30.622 10.189 -99.200 -91.000 TRP 42 1.040 12.687 39.254 17.972 -99.200 -91.000 TRP6 42 1.020 13.057 38.551 20.195 -99.200 -91.000 PHE 44 1.000 15.700 36.597 25.115 -99.200 -91.000 TYR 59 0.840 24.556 42.098 18.780 -99.200 -91.000 TRP 75 1.040 13.172 46.263 17.659 -99.200 -91.000 TRP6 75 1.020 12.405 44.220 18.480 -99.200 -91.000 TYR 79 0.840 6.734 37.290 16.764 -99.200 -91.000 TYR 89 0.840 23.079 48.616 18.782 -99.200 -91.000 PHE 115 1.000 9.440 35.701 22.015 -99.200 -91.000 PHE 129 1.000 7.714 37.738 -0.148 -99.200 -91.000 PHE 143 1.000 21.428 36.072 6.233 -99.200 -91.000 PHE 144 1.000 15.842 34.957 -0.173 -99.200 -91.000 PHE 156 1.000 14.208 31.107 2.520 -99.200 -91.000 TYR 162 0.840 8.315 12.143 12.969 -99.200 -91.000 HIS 163 0.900 9.612 13.468 16.796 -99.200 -91.000 TYR 168 0.840 15.689 26.882 7.806 -99.200 -91.000 PHE 170 1.000 19.507 31.240 3.931 -99.200 -91.000 PHE 172 1.000 23.424 24.662 -1.695 -99.200 -91.000 TYR 178 0.840 14.774 17.811 -5.201 -99.200 -91.000 TYR 184 0.840 10.060 25.647 -8.423 -99.200 -91.000 PHE 193 1.000 1.677 36.700 6.813 -99.200 -91.000 TRP 194 1.040 8.037 33.440 1.832 -99.200 -91.000 TRP6 194 1.020 9.007 33.355 -0.310 -99.200 -91.000 TRP 196 1.040 1.188 27.707 -0.154 -99.200 -91.000 TRP6 196 1.020 0.600 25.539 -0.847 -99.200 -91.000 TYR 201 0.840 -9.721 17.714 2.082 -99.200 -91.000 PHE 208 1.000 -6.307 16.508 -4.442 -99.200 -91.000 TYR 225 0.840 -2.820 26.004 14.004 -99.200 -91.000 TYR 234 0.840 -6.095 13.384 9.955 -99.200 -91.000 TRP 235 1.040 -8.352 15.633 13.813 -99.200 -91.000 TRP6 235 1.020 -6.599 14.267 14.647 -99.200 -91.000 TYR 250 0.840 -10.946 18.080 15.813 -99.200 -91.000 PHE 252 1.000 -3.790 11.217 18.316 -99.200 -91.000 PHE 261 1.000 -4.635 16.872 5.132 -99.200 -91.000 PHE 263 1.000 0.926 19.809 1.623 -99.200 -91.000 TYR 276 0.840 6.617 13.068 9.216 -99.200 -91.000 PHE 279 1.000 3.531 18.861 18.249 -99.200 -91.000 PHE 288 1.000 -3.207 19.834 20.595 -99.200 -91.000 PHE 302 1.000 -0.942 24.438 3.487 -99.200 -91.000 PHE 311 1.000 14.877 20.667 -1.104 -99.200 -91.000 PHE 314 1.000 10.100 28.991 2.120 -99.200 -91.000 PHE 324 1.000 5.054 23.348 -0.702 -99.200 -91.000