============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. HIS 2 0.900 98.747 -2.456 46.240 -99.200 -91.000 PHE 3 1.000 98.223 2.099 48.968 -99.200 -91.000 PHE 5 1.000 98.889 9.729 50.596 -99.200 -91.000 TYR 8 0.840 98.679 25.622 45.268 -99.200 -91.000 PHE 17 1.000 84.951 10.195 50.900 -99.200 -91.000 PHE 37 1.000 76.141 14.161 32.708 -99.200 -91.000 PHE 43 1.000 73.659 6.928 47.344 -99.200 -91.000 PHE 47 1.000 83.722 3.290 44.771 -99.200 -91.000 TYR 57 0.840 77.077 23.973 44.018 -99.200 -91.000 PHE 63 1.000 71.305 15.641 35.397 -99.200 -91.000 PHE 75 1.000 72.179 14.197 29.512 -99.200 -91.000 PHE 92 1.000 82.727 -0.253 40.714 -99.200 -91.000 TYR 95 0.840 80.871 -2.329 35.709 -99.200 -91.000 PHE 97 1.000 86.866 -1.524 28.712 -99.200 -91.000 PHE 100 1.000 87.447 2.043 23.366 -99.200 -91.000 TYR 110 0.840 80.781 16.262 18.511 -99.200 -91.000 TYR 112 0.840 91.482 15.889 12.030 -99.200 -91.000 PHE 118 1.000 78.440 22.427 14.982 -99.200 -91.000 TRP 129 1.040 92.904 3.468 36.429 -99.200 -91.000 TRP6 129 1.020 94.891 3.397 37.742 -99.200 -91.000 HIS 134 0.900 87.833 -6.256 48.403 -99.200 -91.000 TYR 138 0.840 84.013 -8.498 34.271 -99.200 -91.000 PHE 146 1.000 91.732 -2.050 26.519 -99.200 -91.000 PHE 147 1.000 89.224 4.938 27.113 -99.200 -91.000 HIS 149 0.900 96.244 3.202 18.447 -99.200 -91.000 PHE 162 1.000 98.488 20.111 46.248 -99.200 -91.000 PHE 180 1.000 90.864 13.185 38.160 -99.200 -91.000 PHE 181 1.000 90.580 5.912 33.404 -99.200 -91.000 TYR 187 0.840 87.140 7.075 45.092 -99.200 -91.000 TYR 199 0.840 94.869 22.676 44.442 -99.200 -91.000 TRP 220 1.040 99.926 5.046 35.143 -99.200 -91.000 TRP6 220 1.020 101.693 4.517 33.649 -99.200 -91.000 HIS 225 0.900 101.150 6.842 46.812 -99.200 -91.000 TRP 253 1.040 103.894 9.922 26.217 -99.200 -91.000 TRP6 253 1.020 106.078 9.272 26.858 -99.200 -91.000 HIS 272 0.900 101.383 -1.025 32.712 -99.200 -91.000 PHE 280 1.000 101.330 5.863 27.793 -99.200 -91.000 PHE 293 1.000 120.759 2.508 20.218 -99.200 -91.000 TYR 306 0.840 102.249 -12.267 36.500 -99.200 -91.000 PHE 310 1.000 93.408 -7.125 39.466 -99.200 -91.000 HIS 312 0.900 87.446 -13.314 45.081 -99.200 -91.000 PHE 314 1.000 94.122 -17.874 41.738 -99.200 -91.000 PHE 317 1.000 100.105 -15.866 45.441 -99.200 -91.000 TYR 318 0.840 97.242 -9.247 37.300 -99.200 -91.000 TRP 323 1.040 108.382 -7.903 48.789 -99.200 -91.000 TRP6 323 1.020 110.463 -7.538 49.847 -99.200 -91.000 TYR 326 0.840 115.265 -4.998 45.959 -99.200 -91.000 TYR 335 0.840 122.232 -5.950 30.246 -99.200 -91.000