============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TYR 2 0.840 98.550 26.414 44.637 -99.200 -91.000 PHE 11 1.000 84.979 10.395 50.774 -99.200 -91.000 PHE 31 1.000 76.174 14.231 32.512 -99.200 -91.000 PHE 37 1.000 73.648 7.139 47.125 -99.200 -91.000 PHE 41 1.000 83.832 3.500 44.721 -99.200 -91.000 TYR 51 0.840 77.082 24.203 43.823 -99.200 -91.000 PHE 57 1.000 71.319 15.799 35.121 -99.200 -91.000 PHE 69 1.000 72.096 14.176 29.299 -99.200 -91.000 PHE 86 1.000 82.869 -0.109 40.815 -99.200 -91.000 TYR 89 0.840 80.712 -2.251 35.854 -99.200 -91.000 PHE 91 1.000 86.719 -1.469 28.718 -99.200 -91.000 PHE 94 1.000 87.440 1.955 23.315 -99.200 -91.000 TYR 104 0.840 80.708 16.186 18.319 -99.200 -91.000 TYR 106 0.840 91.330 15.735 11.856 -99.200 -91.000 PHE 112 1.000 78.365 22.319 14.833 -99.200 -91.000 TRP 123 1.040 92.808 3.634 36.394 -99.200 -91.000 TRP6 123 1.020 94.768 3.638 37.734 -99.200 -91.000 HIS 128 0.900 87.903 -5.901 48.471 -99.200 -91.000 TYR 132 0.840 83.862 -8.461 34.436 -99.200 -91.000 HIS 133 0.900 82.939 -3.751 41.591 -99.200 -91.000 PHE 140 1.000 91.565 -2.029 26.653 -99.200 -91.000 PHE 141 1.000 89.009 4.869 27.179 -99.200 -91.000 HIS 143 0.900 96.123 3.043 18.440 -99.200 -91.000 PHE 156 1.000 98.454 20.325 45.960 -99.200 -91.000 PHE 174 1.000 90.789 13.328 37.868 -99.200 -91.000 PHE 175 1.000 90.405 5.908 33.250 -99.200 -91.000 TYR 181 0.840 87.191 7.288 44.974 -99.200 -91.000 TYR 193 0.840 94.808 22.861 44.166 -99.200 -91.000 TRP 214 1.040 99.823 5.179 35.015 -99.200 -91.000 TRP6 214 1.020 101.632 4.681 33.540 -99.200 -91.000 HIS 219 0.900 101.224 7.217 46.581 -99.200 -91.000 TRP 247 1.040 103.846 9.894 26.126 -99.200 -91.000 TRP6 247 1.020 106.058 9.365 26.740 -99.200 -91.000 HIS 266 0.900 101.311 -0.814 32.585 -99.200 -91.000 PHE 274 1.000 101.101 5.864 27.526 -99.200 -91.000 PHE 287 1.000 120.199 2.362 20.262 -99.200 -91.000 TYR 300 0.840 102.135 -12.091 36.657 -99.200 -91.000 PHE 304 1.000 93.365 -6.910 39.502 -99.200 -91.000 HIS 306 0.900 87.429 -13.061 45.359 -99.200 -91.000 PHE 308 1.000 94.093 -17.724 41.989 -99.200 -91.000 PHE 311 1.000 99.854 -15.425 45.721 -99.200 -91.000 TYR 312 0.840 97.065 -9.072 37.364 -99.200 -91.000 TRP 317 1.040 108.281 -7.618 48.777 -99.200 -91.000 TRP6 317 1.020 110.331 -7.141 49.843 -99.200 -91.000 TYR 320 0.840 115.187 -4.858 46.004 -99.200 -91.000 TYR 329 0.840 121.509 -6.154 30.146 -99.200 -91.000