============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 27 0.840 13.320 -48.659 28.192 -99.200 -91.000 PHE 29 1.000 9.466 -39.976 24.660 -99.200 -91.000 TYR 63 0.840 15.756 -44.728 36.572 -99.200 -91.000 HIS 92 0.900 2.935 -43.942 27.651 -99.200 -91.000 PHE 111 1.000 5.473 -50.173 20.858 -99.200 -91.000 TYR 115 0.840 17.830 -42.564 12.483 -99.200 -91.000 PHE 122 1.000 18.446 -34.840 20.690 -99.200 -91.000 HIS 142 0.900 22.850 -40.016 15.746 -99.200 -91.000 TYR 149 0.840 30.749 -45.777 14.590 -99.200 -91.000 PHE 155 1.000 27.467 -57.381 7.270 -99.200 -91.000 HIS 174 0.900 11.420 -54.772 14.999 -99.200 -91.000 TYR 177 0.840 5.670 -49.586 7.976 -99.200 -91.000 TYR 179 0.840 15.505 -46.136 16.202 -99.200 -91.000 PHE 183 1.000 20.786 -46.327 12.611 -99.200 -91.000 PHE 189 1.000 22.925 -53.089 5.633 -99.200 -91.000 TYR 204 0.840 4.200 -56.495 20.652 -99.200 -91.000 TYR 209 0.840 7.813 -52.364 16.599 -99.200 -91.000 HIS 216 0.900 2.729 -63.911 4.658 -99.200 -91.000 HIS 231 0.900 16.024 -66.147 26.133 -99.200 -91.000 PHE 239 1.000 17.477 -67.945 16.488 -99.200 -91.000 TRP 248 1.040 16.508 -70.541 10.547 -99.200 -91.000 TRP6 248 1.020 15.999 -68.300 11.077 -99.200 -91.000 TRP 267 1.040 20.866 -54.015 17.336 -99.200 -91.000 TRP6 267 1.020 21.080 -53.707 15.004 -99.200 -91.000