============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 2 1.000 100.448 55.120 -0.588 -99.200 -91.000 PHE 14 1.000 97.502 61.550 29.771 -99.200 -91.000 HIS 24 0.900 90.544 50.924 3.887 -99.200 -91.000 TYR 38 0.840 80.282 30.699 15.440 -99.200 -91.000 TYR 56 0.840 73.506 7.020 20.612 -99.200 -91.000 PHE 70 1.000 76.367 11.539 21.059 -99.200 -91.000 TRP 80 1.040 79.888 24.817 14.521 -99.200 -91.000 TRP6 80 1.020 79.622 24.086 16.755 -99.200 -91.000 TYR 89 0.840 86.120 14.299 6.785 -99.200 -91.000 HIS 91 0.900 79.814 8.776 13.291 -99.200 -91.000 TYR 102 0.840 92.088 11.093 9.007 -99.200 -91.000 TYR 104 0.840 84.258 7.549 16.293 -99.200 -91.000 TRP 121 1.040 94.183 26.740 28.530 -99.200 -91.000 TRP6 121 1.020 96.122 27.796 29.377 -99.200 -91.000 HIS 124 0.900 93.651 34.273 24.750 -99.200 -91.000 TYR 133 0.840 82.264 28.846 11.566 -99.200 -91.000 HIS 136 0.900 88.461 21.799 12.265 -99.200 -91.000 TYR 144 0.840 94.017 32.071 7.838 -99.200 -91.000 TYR 147 0.840 102.012 21.464 7.908 -99.200 -91.000 HIS 162 0.900 108.644 26.086 -8.780 -99.200 -91.000 TYR 172 0.840 113.479 29.907 5.101 -99.200 -91.000 TYR 179 0.840 104.033 32.751 11.244 -99.200 -91.000 TYR 182 0.840 104.115 41.348 2.865 -99.200 -91.000 TYR 187 0.840 116.287 35.749 14.271 -99.200 -91.000 PHE 190 1.000 104.034 26.926 15.085 -99.200 -91.000 PHE 193 1.000 110.002 33.500 20.803 -99.200 -91.000 TYR 227 0.840 118.412 41.158 14.860 -99.200 -91.000 PHE 230 1.000 110.547 44.581 15.292 -99.200 -91.000 PHE 246 1.000 94.052 45.299 20.902 -99.200 -91.000 HIS 248 0.900 104.031 45.485 24.065 -99.200 -91.000 PHE 253 1.000 107.957 48.302 22.380 -99.200 -91.000 TRP 256 1.040 103.928 43.215 32.111 -99.200 -91.000 TRP6 256 1.020 102.109 42.187 30.994 -99.200 -91.000 TRP 268 1.040 102.342 36.100 30.306 -99.200 -91.000 TRP6 268 1.020 101.589 34.476 31.839 -99.200 -91.000 TRP 269 1.040 96.405 34.962 31.458 -99.200 -91.000 TRP6 269 1.020 96.971 33.257 32.984 -99.200 -91.000 TYR 281 0.840 94.584 19.132 24.654 -99.200 -91.000 HIS 309 0.900 92.581 36.258 18.455 -99.200 -91.000 PHE 317 1.000 84.917 41.337 13.161 -99.200 -91.000 TYR 325 0.840 75.629 24.181 19.787 -99.200 -91.000