============================================================================= 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. PHE 27 1.000 38.913 0.509 24.270 -99.200 -91.000 PHE 29 1.000 37.575 1.770 18.117 -99.200 -91.000 TRP 33 1.040 27.989 -2.100 20.794 -99.200 -91.000 TRP6 33 1.020 25.639 -2.088 21.027 -99.200 -91.000 TRP 36 1.040 31.728 11.062 19.397 -99.200 -91.000 TRP6 36 1.020 33.686 12.283 19.888 -99.200 -91.000 TRP 47 1.040 24.103 8.744 23.888 -99.200 -91.000 TRP6 47 1.020 22.348 8.576 22.313 -99.200 -91.000 HIS 58 0.900 30.793 -1.290 11.192 -99.200 -91.000 TYR 62 0.840 23.484 9.876 14.396 -99.200 -91.000 PHE 70 1.000 26.203 17.326 16.028 -99.200 -91.000 TYR 82 0.840 37.508 9.282 12.105 -99.200 -91.000 TYR 96 0.840 30.347 18.318 21.390 -99.200 -91.000 TYR 97 0.840 33.736 15.185 28.815 -99.200 -91.000 PHE 108 1.000 28.092 5.749 27.783 -99.200 -91.000 TYR 110 0.840 38.181 1.117 29.406 -99.200 -91.000 TRP 111 1.040 33.501 8.285 30.735 -99.200 -91.000 TRP6 111 1.020 31.757 9.764 30.158 -99.200 -91.000 TYR 130 0.840 48.405 43.613 31.037 -99.200 -91.000 TYR 152 0.840 41.629 33.921 27.502 -99.200 -91.000 PHE 153 1.000 35.588 34.139 21.667 -99.200 -91.000 TRP 161 1.040 51.389 30.505 38.897 -99.200 -91.000 TRP6 161 1.020 51.987 32.778 39.135 -99.200 -91.000 HIS 171 0.900 43.643 28.569 45.561 -99.200 -91.000 PHE 173 1.000 40.825 32.592 41.880 -99.200 -91.000 TYR 182 0.840 36.156 33.461 27.302 -99.200 -91.000 TRP 195 1.040 58.470 37.420 44.265 -99.200 -91.000 TRP6 195 1.020 57.614 39.431 45.161 -99.200 -91.000 HIS 206 0.900 44.194 31.985 23.021 -99.200 -91.000