============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 11 1.000 57.377 -5.562 8.918 -99.200 -91.000 PHE 19 1.000 52.626 7.974 17.450 -99.200 -91.000 TYR 24 0.840 45.892 16.003 8.610 -99.200 -91.000 TYR 26 0.840 40.904 10.005 17.974 -99.200 -91.000 TRP 37 1.040 45.008 27.856 19.920 -99.200 -91.000 TRP6 37 1.020 44.727 26.109 18.393 -99.200 -91.000 TYR 39 0.840 47.180 32.859 19.064 -99.200 -91.000 TYR 41 0.840 48.977 38.991 17.780 -99.200 -91.000 TYR 42 0.840 46.874 42.851 25.064 -99.200 -91.000 TYR 56 0.840 30.326 15.679 19.280 -99.200 -91.000 PHE 64 1.000 37.054 48.003 24.915 -99.200 -91.000 TYR 70 0.840 44.643 41.874 35.606 -99.200 -91.000 HIS 75 0.900 50.541 49.314 41.098 -99.200 -91.000 TYR 79 0.840 38.405 55.502 39.267 -99.200 -91.000 TYR 82 0.840 34.065 52.665 36.024 -99.200 -91.000 TYR 89 0.840 32.088 49.881 28.144 -99.200 -91.000 TYR 90 0.840 27.126 58.757 24.774 -99.200 -91.000 PHE 99 1.000 43.399 60.500 21.345 -99.200 -91.000 HIS 100 0.900 45.339 53.452 21.823 -99.200 -91.000 PHE 112 1.000 37.770 28.501 14.032 -99.200 -91.000 TYR 135 0.840 21.480 52.201 16.457 -99.200 -91.000 HIS 140 0.900 23.203 36.869 9.982 -99.200 -91.000 TRP 142 1.040 25.517 33.904 12.573 -99.200 -91.000 TRP6 142 1.020 25.565 33.290 10.294 -99.200 -91.000 TYR 149 0.840 39.019 32.206 9.615 -99.200 -91.000 TYR 161 0.840 41.565 25.553 7.434 -99.200 -91.000 HIS 163 0.900 39.415 37.193 9.404 -99.200 -91.000 TYR 164 0.840 47.231 40.031 12.029 -99.200 -91.000 PHE 165 1.000 39.781 40.745 13.296 -99.200 -91.000 HIS 169 0.900 42.712 52.780 11.102 -99.200 -91.000 TYR 171 0.840 38.063 53.990 12.806 -99.200 -91.000 HIS 182 0.900 35.854 17.251 13.888 -99.200 -91.000 TYR 188 0.840 25.415 9.782 13.872 -99.200 -91.000 HIS 194 0.900 19.757 7.321 16.591 -99.200 -91.000 PHE 200 1.000 21.774 20.577 24.272 -99.200 -91.000 PHE 209 1.000 46.855 28.320 28.305 -99.200 -91.000 TYR 213 0.840 52.266 32.177 26.615 -99.200 -91.000 TRP 214 1.040 56.103 38.695 30.229 -99.200 -91.000 TRP6 214 1.020 58.124 38.576 31.458 -99.200 -91.000 HIS 222 0.900 59.230 29.100 26.631 -99.200 -91.000 TYR 223 0.840 49.268 28.537 23.571 -99.200 -91.000 TYR 229 0.840 48.296 24.291 20.931 -99.200 -91.000 TYR 231 0.840 51.469 32.663 16.129 -99.200 -91.000 HIS 237 0.900 58.622 30.367 9.654 -99.200 -91.000 TYR 239 0.840 56.552 29.788 13.650 -99.200 -91.000