============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 18 1.000 40.006 15.263 14.271 -99.200 -91.000 TYR 22 0.840 47.825 28.246 11.393 -99.200 -91.000 PHE 55 1.000 46.400 18.395 17.275 -99.200 -91.000 PHE 65 1.000 54.770 5.756 13.350 -99.200 -91.000 HIS 68 0.900 64.221 10.299 2.351 -99.200 -91.000 HIS 69 0.900 61.255 6.260 0.844 -99.200 -91.000 HIS 92 0.900 56.012 20.555 -5.593 -99.200 -91.000 TYR 98 0.840 52.719 16.757 -8.807 -99.200 -91.000 TYR 133 0.840 59.437 3.337 10.092 -99.200 -91.000 PHE 139 1.000 49.749 3.878 11.714 -99.200 -91.000 HIS 141 0.900 47.239 5.689 6.050 -99.200 -91.000 HIS 153 0.900 61.662 22.492 -3.705 -99.200 -91.000 PHE 155 1.000 58.459 17.844 -8.336 -99.200 -91.000 PHE 162 1.000 46.898 16.022 3.571 -99.200 -91.000 TYR 169 0.840 40.958 15.460 -2.788 -99.200 -91.000 TYR 173 0.840 37.325 10.048 3.313 -99.200 -91.000 TYR 174 0.840 27.433 5.583 1.515 -99.200 -91.000 TRP 185 1.040 41.260 5.098 -2.476 -99.200 -91.000 TRP6 185 1.020 39.589 6.656 -3.098 -99.200 -91.000 PHE 196 1.000 39.168 -0.456 8.089 -99.200 -91.000 TRP 203 1.040 41.092 -3.217 -2.262 -99.200 -91.000 TRP6 203 1.020 40.290 -5.081 -3.473 -99.200 -91.000 PHE 205 1.000 51.510 0.045 -3.425 -99.200 -91.000 TRP 210 1.040 42.119 2.444 -11.434 -99.200 -91.000 TRP6 210 1.020 40.908 4.436 -11.034 -99.200 -91.000 TYR 220 0.840 35.651 0.265 -7.509 -99.200 -91.000 PHE 231 1.000 32.371 -4.168 -9.650 -99.200 -91.000 TYR 237 0.840 39.346 -7.614 -10.876 -99.200 -91.000 TRP 256 1.040 43.089 -3.902 -6.575 -99.200 -91.000 TRP6 256 1.020 43.044 -2.870 -8.699 -99.200 -91.000 PHE 258 1.000 36.403 -11.939 -2.089 -99.200 -91.000 PHE 266 1.000 51.912 -1.993 1.977 -99.200 -91.000 HIS 278 0.900 68.217 9.276 -7.641 -99.200 -91.000 PHE 281 1.000 63.778 2.667 -2.419 -99.200 -91.000 PHE 286 1.000 61.515 -1.094 7.390 -99.200 -91.000 PHE 287 1.000 63.848 -4.375 0.105 -99.200 -91.000 HIS 288 0.900 67.605 -1.196 -0.741 -99.200 -91.000