============================================================================= 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. TYR 11 0.840 26.106 27.829 91.523 -99.200 -91.000 TYR 16 0.840 33.054 26.460 84.377 -99.200 -91.000 TYR 17 0.840 25.055 23.873 85.736 -99.200 -91.000 PHE 29 1.000 16.910 14.413 83.288 -99.200 -91.000 PHE 33 1.000 28.147 17.588 78.331 -99.200 -91.000 TRP 41 1.040 25.492 9.767 87.321 -99.200 -91.000 TRP6 41 1.020 24.492 11.137 88.758 -99.200 -91.000 TYR 51 0.840 18.838 8.395 98.928 -99.200 -91.000 TYR 56 0.840 13.510 20.261 97.100 -99.200 -91.000 HIS 57 0.900 20.110 17.854 91.915 -99.200 -91.000 PHE 60 1.000 14.619 8.279 81.772 -99.200 -91.000 TYR 68 0.840 12.938 2.250 80.240 -99.200 -91.000 HIS 70 0.900 13.876 -3.442 83.195 -99.200 -91.000 TYR 79 0.840 30.919 9.394 89.743 -99.200 -91.000 PHE 87 1.000 16.772 1.677 88.057 -99.200 -91.000 PHE 104 1.000 19.202 6.751 80.765 -99.200 -91.000 PHE 115 1.000 26.194 13.473 93.267 -99.200 -91.000 PHE 120 1.000 26.288 18.629 88.517 -99.200 -91.000 PHE 128 1.000 40.606 6.939 76.139 -99.200 -91.000 PHE 140 1.000 33.807 11.921 71.118 -99.200 -91.000 PHE 154 1.000 36.198 14.595 74.256 -99.200 -91.000 PHE 156 1.000 35.009 19.551 77.992 -99.200 -91.000 TYR 157 0.840 35.338 29.771 76.257 -99.200 -91.000 TYR 158 0.840 34.949 23.823 81.882 -99.200 -91.000 HIS 177 0.900 34.946 31.041 72.822 -99.200 -91.000 TYR 178 0.840 41.851 27.351 69.293 -99.200 -91.000 PHE 182 1.000 43.967 23.126 70.100 -99.200 -91.000 HIS 183 0.900 52.752 24.269 70.554 -99.200 -91.000 TYR 184 0.840 47.506 18.507 69.671 -99.200 -91.000 TRP 193 1.040 40.254 11.617 78.201 -99.200 -91.000 TRP6 193 1.020 40.882 11.806 75.979 -99.200 -91.000 TYR 223 0.840 38.035 24.168 93.934 -99.200 -91.000 PHE 245 1.000 34.828 24.855 107.922 -99.200 -91.000 TYR 247 0.840 46.063 25.026 102.237 -99.200 -91.000 PHE 262 1.000 49.883 23.826 87.355 -99.200 -91.000 HIS 263 0.900 59.006 21.395 81.722 -99.200 -91.000 TYR 269 0.840 50.960 23.985 78.364 -99.200 -91.000 TYR 276 0.840 47.808 31.327 92.048 -99.200 -91.000 PHE 278 1.000 37.813 30.724 93.425 -99.200 -91.000 TYR 282 0.840 44.784 45.808 96.046 -99.200 -91.000 HIS 291 0.900 40.283 24.135 97.085 -99.200 -91.000 TRP 303 1.040 50.268 17.242 90.899 -99.200 -91.000 TRP6 303 1.020 50.284 19.386 91.866 -99.200 -91.000 PHE 309 1.000 46.550 23.727 82.998 -99.200 -91.000 PHE 313 1.000 47.352 27.300 79.393 -99.200 -91.000 TYR 314 0.840 39.093 25.716 72.864 -99.200 -91.000 PHE 317 1.000 40.000 16.621 77.482 -99.200 -91.000 PHE 326 1.000 46.366 20.968 78.192 -99.200 -91.000