============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 33 1.000 40.649 24.599 26.193 -99.200 -91.000 HIS 41 0.900 50.147 24.795 30.528 -99.200 -91.000 HIS 49 0.900 54.167 16.890 41.116 -99.200 -91.000 TYR 55 0.840 49.727 2.238 45.801 -99.200 -91.000 TYR 66 0.840 38.483 26.266 22.557 -99.200 -91.000 PHE 81 1.000 31.389 34.182 33.518 -99.200 -91.000 TRP 92 1.040 24.317 30.684 42.689 -99.200 -91.000 TRP6 92 1.020 23.355 28.519 42.695 -99.200 -91.000 HIS 111 0.900 37.188 25.446 19.155 -99.200 -91.000 PHE 120 1.000 28.994 9.431 27.213 -99.200 -91.000 HIS 136 0.900 21.919 16.512 20.392 -99.200 -91.000 HIS 138 0.900 25.432 25.841 18.121 -99.200 -91.000 TYR 160 0.840 25.709 12.093 53.944 -99.200 -91.000 TYR 161 0.840 21.070 16.660 52.778 -99.200 -91.000 HIS 176 0.900 14.693 6.420 41.197 -99.200 -91.000 HIS 181 0.900 21.571 20.561 39.016 -99.200 -91.000 TYR 191 0.840 9.066 6.026 40.715 -99.200 -91.000 PHE 201 1.000 13.352 1.513 56.337 -99.200 -91.000 PHE 216 1.000 11.164 14.555 49.235 -99.200 -91.000 HIS 230 0.900 33.995 26.988 50.011 -99.200 -91.000 TYR 234 0.840 35.168 23.197 45.437 -99.200 -91.000 TYR 248 0.840 31.691 6.302 26.901 -99.200 -91.000 TYR 266 0.840 9.651 10.892 32.095 -99.200 -91.000 HIS 268 0.900 7.522 17.583 28.310 -99.200 -91.000 PHE 272 1.000 19.868 16.739 25.254 -99.200 -91.000 PHE 300 1.000 9.935 14.955 33.079 -99.200 -91.000