============================================================================= 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 12 1.000 74.892 33.195 10.595 -99.200 -91.000 TRP 16 1.040 69.107 33.111 9.299 -99.200 -91.000 TRP6 16 1.020 67.988 35.186 9.264 -99.200 -91.000 TYR 32 0.840 46.964 25.263 12.646 -99.200 -91.000 PHE 39 1.000 45.241 16.685 22.962 -99.200 -91.000 HIS 43 0.900 34.383 10.205 31.803 -99.200 -91.000 TYR 56 0.840 39.388 10.161 51.100 -99.200 -91.000 PHE 61 1.000 41.789 9.510 55.775 -99.200 -91.000 TYR 64 0.840 42.226 -1.335 53.845 -99.200 -91.000 TYR 76 0.840 16.475 -7.841 56.427 -99.200 -91.000 PHE 79 1.000 22.188 0.253 55.750 -99.200 -91.000 PHE 91 1.000 19.934 -2.203 40.105 -99.200 -91.000 TYR 92 0.840 17.430 -8.473 47.055 -99.200 -91.000 PHE 99 1.000 13.527 -26.422 28.740 -99.200 -91.000 HIS 114 0.900 23.032 3.112 51.405 -99.200 -91.000 TRP 119 1.040 33.926 2.466 54.599 -99.200 -91.000 TRP6 119 1.020 36.173 1.996 54.100 -99.200 -91.000 PHE 120 1.000 28.416 -0.709 60.013 -99.200 -91.000 PHE 134 1.000 41.491 0.117 61.977 -99.200 -91.000 PHE 137 1.000 42.363 6.223 49.751 -99.200 -91.000 PHE 143 1.000 26.904 -1.475 40.233 -99.200 -91.000 HIS 153 0.900 17.838 11.474 40.832 -99.200 -91.000 TYR 157 0.840 25.538 5.346 43.131 -99.200 -91.000 HIS 158 0.900 32.356 5.547 39.123 -99.200 -91.000 PHE 185 1.000 39.039 17.256 45.055 -99.200 -91.000 PHE 187 1.000 33.996 22.617 46.827 -99.200 -91.000 PHE 190 1.000 35.484 23.447 53.735 -99.200 -91.000 PHE 192 1.000 31.850 20.836 58.916 -99.200 -91.000 TYR 201 0.840 24.001 4.282 58.147 -99.200 -91.000 TYR 202 0.840 26.183 7.901 59.538 -99.200 -91.000 TYR 211 0.840 24.405 22.200 52.602 -99.200 -91.000 TYR 213 0.840 31.692 30.929 48.651 -99.200 -91.000 HIS 214 0.900 35.237 26.149 43.632 -99.200 -91.000 TRP 220 1.040 27.842 29.199 51.469 -99.200 -91.000 TRP6 220 1.020 29.393 28.223 52.949 -99.200 -91.000 PHE 226 1.000 30.855 15.117 59.430 -99.200 -91.000 TYR 229 0.840 29.890 3.467 59.961 -99.200 -91.000 TYR 237 0.840 28.561 -5.967 60.521 -99.200 -91.000 PHE 260 1.000 31.415 17.815 32.487 -99.200 -91.000 TYR 268 0.840 27.211 6.055 31.071 -99.200 -91.000 PHE 271 1.000 25.737 5.729 25.084 -99.200 -91.000 TYR 272 0.840 23.491 12.374 26.528 -99.200 -91.000 HIS 274 0.900 32.455 15.116 18.938 -99.200 -91.000 TYR 298 0.840 39.793 34.285 7.575 -99.200 -91.000 TYR 300 0.840 33.147 35.110 13.617 -99.200 -91.000