============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 21 1.000 -22.566 26.060 44.992 -99.200 -91.000 HIS 32 0.900 -30.885 34.115 54.435 -99.200 -91.000 PHE 56 1.000 -12.370 16.866 53.414 -99.200 -91.000 TYR 66 0.840 -23.628 33.106 37.438 -99.200 -91.000 TYR 84 0.840 -23.822 20.711 25.517 -99.200 -91.000 TYR 89 0.840 -39.736 24.676 35.282 -99.200 -91.000 TRP 104 1.040 -20.376 27.049 26.757 -99.200 -91.000 TRP6 104 1.020 -18.239 26.437 27.592 -99.200 -91.000 PHE 119 1.000 -29.179 18.926 28.037 -99.200 -91.000 TYR 122 0.840 -36.858 20.682 34.735 -99.200 -91.000 TYR 123 0.840 -39.381 11.932 28.886 -99.200 -91.000 TYR 138 0.840 -31.547 19.721 22.496 -99.200 -91.000 PHE 153 1.000 -25.848 12.609 27.702 -99.200 -91.000 TYR 154 0.840 -21.603 11.175 35.225 -99.200 -91.000 TYR 160 0.840 -42.702 18.363 33.213 -99.200 -91.000 PHE 172 1.000 -44.299 14.543 40.806 -99.200 -91.000 HIS 178 0.900 -46.492 5.850 35.180 -99.200 -91.000 PHE 186 1.000 -34.757 10.248 27.976 -99.200 -91.000 PHE 191 1.000 -33.058 8.042 24.047 -99.200 -91.000 PHE 205 1.000 -46.609 13.481 51.314 -99.200 -91.000 PHE 209 1.000 -37.992 7.005 56.472 -99.200 -91.000 PHE 216 1.000 -46.553 6.403 48.537 -99.200 -91.000 PHE 225 1.000 -35.777 3.890 47.514 -99.200 -91.000 TYR 236 0.840 -29.816 3.255 40.146 -99.200 -91.000 TYR 238 0.840 -30.967 6.770 44.591 -99.200 -91.000 PHE 248 1.000 -29.010 12.384 49.212 -99.200 -91.000 PHE 254 1.000 -37.223 2.541 52.902 -99.200 -91.000 PHE 262 1.000 -27.237 4.362 46.838 -99.200 -91.000 TRP 272 1.040 -23.792 23.074 48.168 -99.200 -91.000 TRP6 272 1.020 -25.431 24.673 47.556 -99.200 -91.000 TYR 279 0.840 -20.071 34.760 49.910 -99.200 -91.000 TRP 290 1.040 -21.878 26.759 58.108 -99.200 -91.000 TRP6 290 1.020 -22.331 25.199 56.364 -99.200 -91.000 PHE 296 1.000 -14.614 16.794 57.600 -99.200 -91.000 TRP 313 1.040 -18.639 3.492 38.364 -99.200 -91.000 TRP6 313 1.020 -17.085 2.748 36.740 -99.200 -91.000