============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. HIS 14 0.900 38.096 3.352 29.392 -99.200 -91.000 HIS 35 0.900 22.640 14.168 29.995 -99.200 -91.000 PHE 56 1.000 18.680 -3.596 27.747 -99.200 -91.000 PHE 65 1.000 7.823 -3.695 31.448 -99.200 -91.000 TYR 88 0.840 -7.393 -13.934 44.082 -99.200 -91.000 HIS 106 0.900 10.898 -11.239 45.677 -99.200 -91.000 TYR 111 0.840 15.130 -23.448 47.737 -99.200 -91.000 TYR 113 0.840 12.318 -21.297 40.056 -99.200 -91.000 PHE 118 1.000 20.101 -20.347 36.629 -99.200 -91.000 PHE 125 1.000 23.090 -19.902 28.956 -99.200 -91.000 PHE 133 1.000 12.263 -25.333 33.453 -99.200 -91.000 TYR 135 0.840 3.609 -18.652 34.184 -99.200 -91.000 HIS 145 0.900 14.942 -26.906 47.703 -99.200 -91.000 TYR 155 0.840 13.967 -8.595 49.722 -99.200 -91.000 TYR 157 0.840 15.058 -12.258 43.722 -99.200 -91.000 PHE 162 1.000 7.026 -10.162 41.253 -99.200 -91.000 HIS 175 0.900 -7.182 -11.918 27.901 -99.200 -91.000 TYR 181 0.840 4.333 -8.998 30.945 -99.200 -91.000 PHE 186 1.000 5.444 -5.228 26.494 -99.200 -91.000 PHE 195 1.000 10.052 -6.541 20.306 -99.200 -91.000 TYR 196 0.840 6.914 -12.882 28.614 -99.200 -91.000 HIS 198 0.900 8.077 -18.814 28.109 -99.200 -91.000 HIS 207 0.900 20.110 -9.646 19.042 -99.200 -91.000 TYR 211 0.840 29.382 -11.863 24.049 -99.200 -91.000 TRP 231 1.040 16.264 -19.075 33.362 -99.200 -91.000 TRP6 231 1.020 16.611 -17.270 34.862 -99.200 -91.000 PHE 248 1.000 7.268 -0.265 33.296 -99.200 -91.000 PHE 249 1.000 11.182 0.750 35.790 -99.200 -91.000 TRP 269 1.040 9.617 2.529 49.637 -99.200 -91.000 TRP6 269 1.020 9.788 1.622 47.442 -99.200 -91.000 TYR 278 0.840 11.033 -6.078 45.436 -99.200 -91.000 TYR 294 0.840 11.548 6.079 44.527 -99.200 -91.000 HIS 296 0.900 13.187 -5.340 40.146 -99.200 -91.000 TYR 303 0.840 21.694 -9.852 27.240 -99.200 -91.000 TYR 304 0.840 25.776 -8.357 36.139 -99.200 -91.000 TYR 306 0.840 22.738 -1.575 38.407 -99.200 -91.000 PHE 308 1.000 16.954 1.025 40.227 -99.200 -91.000 PHE 341 1.000 18.284 9.113 38.820 -99.200 -91.000