============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 12 0.840 -11.934 -2.640 30.315 -99.200 -91.000 TYR 32 0.840 -3.125 0.487 22.074 -99.200 -91.000 TYR 34 0.840 -8.477 -2.846 23.444 -99.200 -91.000 HIS 52 0.900 -34.334 14.764 23.101 -99.200 -91.000 HIS 55 0.900 -39.904 4.253 22.155 -99.200 -91.000 TRP 77 1.040 -30.672 -3.037 6.109 -99.200 -91.000 TRP6 77 1.020 -31.267 -3.717 3.920 -99.200 -91.000 TYR 78 0.840 -28.053 -6.141 12.555 -99.200 -91.000 PHE 88 1.000 -25.749 -3.461 4.955 -99.200 -91.000 PHE 97 1.000 -31.520 5.391 13.238 -99.200 -91.000 TRP 106 1.040 -38.364 -9.883 26.760 -99.200 -91.000 TRP6 106 1.020 -37.887 -11.449 28.480 -99.200 -91.000 TYR 125 0.840 -1.186 -10.541 10.980 -99.200 -91.000 TRP 132 1.040 2.524 -3.843 15.982 -99.200 -91.000 TRP6 132 1.020 3.136 -5.977 16.782 -99.200 -91.000 PHE 145 1.000 -19.639 -5.901 15.683 -99.200 -91.000 TYR 149 0.840 -11.291 3.574 13.743 -99.200 -91.000 TYR 167 0.840 -2.861 4.772 14.713 -99.200 -91.000 PHE 169 1.000 -14.354 5.312 9.938 -99.200 -91.000 TYR 176 0.840 -18.978 16.775 16.307 -99.200 -91.000 TYR 182 0.840 -2.343 11.018 21.204 -99.200 -91.000 TYR 183 0.840 -7.278 8.268 25.890 -99.200 -91.000 PHE 189 1.000 -2.863 -2.063 17.461 -99.200 -91.000 HIS 192 0.900 -6.233 1.016 1.547 -99.200 -91.000 PHE 204 1.000 -26.911 7.130 14.738 -99.200 -91.000 HIS 207 0.900 -25.287 8.217 20.771 -99.200 -91.000 PHE 212 1.000 -20.335 13.035 18.793 -99.200 -91.000 PHE 217 1.000 -13.988 -1.154 10.684 -99.200 -91.000 PHE 218 1.000 -22.203 -5.378 10.666 -99.200 -91.000 PHE 231 1.000 -10.834 0.610 7.691 -99.200 -91.000 TYR 233 0.840 -6.391 2.572 6.549 -99.200 -91.000 PHE 237 1.000 -3.991 6.488 5.375 -99.200 -91.000 TRP 238 1.040 -4.273 4.848 0.663 -99.200 -91.000 TRP6 238 1.020 -2.154 4.051 1.350 -99.200 -91.000 TYR 244 0.840 4.540 12.737 4.838 -99.200 -91.000 PHE 245 1.000 2.152 5.523 4.836 -99.200 -91.000 HIS 256 0.900 -4.808 4.429 -2.965 -99.200 -91.000