============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TRP 4 1.040 9.004 10.014 30.517 -99.200 -91.000 TRP6 4 1.020 8.138 11.850 31.742 -99.200 -91.000 PHE 101 1.000 5.381 32.209 10.894 -99.200 -91.000 PHE 115 1.000 3.174 25.444 1.007 -99.200 -91.000 PHE 147 1.000 -1.933 25.279 1.633 -99.200 -91.000 PHE 170 1.000 -4.958 32.094 9.805 -99.200 -91.000 PHE 181 1.000 4.066 39.902 -0.167 -99.200 -91.000 HIS 189 0.900 -8.270 40.524 13.596 -99.200 -91.000 HIS 199 0.900 4.177 33.997 20.206 -99.200 -91.000 TRP 222 1.040 0.337 44.532 12.484 -99.200 -91.000 TRP6 222 1.020 -1.813 43.554 12.561 -99.200 -91.000 TRP 234 1.040 18.689 36.332 11.795 -99.200 -91.000 TRP6 234 1.020 17.035 37.948 12.275 -99.200 -91.000 PHE 246 1.000 12.571 21.778 31.696 -99.200 -91.000 TRP 262 1.040 14.232 35.213 31.756 -99.200 -91.000 TRP6 262 1.020 12.637 33.468 31.716 -99.200 -91.000 HIS 272 0.900 1.518 39.470 28.529 -99.200 -91.000 HIS 286 0.900 14.712 39.172 35.791 -99.200 -91.000 TYR 299 0.840 -0.179 26.575 43.299 -99.200 -91.000 PHE 302 1.000 -3.722 29.736 38.746 -99.200 -91.000 HIS 336 0.900 -6.280 31.894 21.230 -99.200 -91.000 HIS 340 0.900 -2.975 27.008 20.224 -99.200 -91.000 TRP 378 1.040 -1.444 14.556 30.661 -99.200 -91.000 TRP6 378 1.020 -2.887 15.850 32.004 -99.200 -91.000 TYR 381 0.840 -5.728 14.314 23.870 -99.200 -91.000 HIS 384 0.900 4.844 21.705 21.625 -99.200 -91.000 PHE 415 1.000 9.623 17.349 29.530 -99.200 -91.000 TRP 419 1.040 10.129 16.321 34.289 -99.200 -91.000 TRP6 419 1.020 9.196 18.484 34.376 -99.200 -91.000