============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TYR 10 0.840 0.588 -5.920 -9.539 -99.200 -91.000 TYR 14 0.840 -6.272 -8.271 -21.087 -99.200 -91.000 TYR 22 0.840 -5.187 -3.845 -11.773 -99.200 -91.000 TYR 23 0.840 -7.799 1.344 -5.782 -99.200 -91.000 HIS 25 0.900 -6.838 -10.376 -7.221 -99.200 -91.000 TYR 44 0.840 -4.637 2.624 -14.969 -99.200 -91.000 HIS 62 0.900 0.592 -14.114 -29.802 -99.200 -91.000 HIS 67 0.900 13.899 -14.459 -31.438 -99.200 -91.000 PHE 77 1.000 9.812 -23.899 -25.188 -99.200 -91.000 TYR 80 0.840 -1.551 -22.683 -22.827 -99.200 -91.000 HIS 85 0.900 -2.987 -8.409 -7.839 -99.200 -91.000 PHE 89 1.000 -8.252 -13.647 -11.713 -99.200 -91.000 HIS 98 0.900 -5.454 -31.640 -17.138 -99.200 -91.000 HIS 113 0.900 14.938 -6.948 -9.663 -99.200 -91.000 PHE 114 1.000 12.229 -16.210 -4.851 -99.200 -91.000 PHE 117 1.000 4.107 -10.241 0.613 -99.200 -91.000 TYR 122 0.840 2.916 -13.066 -9.443 -99.200 -91.000 TRP 144 1.040 13.429 -13.022 -15.482 -99.200 -91.000 TRP6 144 1.020 13.374 -10.932 -16.619 -99.200 -91.000 TYR 145 0.840 19.581 -10.577 -10.017 -99.200 -91.000 PHE 150 1.000 16.384 -7.228 -17.312 -99.200 -91.000 TYR 153 0.840 15.987 -2.480 -22.984 -99.200 -91.000 TRP 154 1.040 16.684 -2.283 -17.845 -99.200 -91.000 TRP6 154 1.020 15.402 -0.290 -18.216 -99.200 -91.000 TYR 162 0.840 24.314 8.961 -16.821 -99.200 -91.000 PHE 189 1.000 8.202 -14.979 5.897 -99.200 -91.000 TYR 193 0.840 11.553 -7.209 -4.709 -99.200 -91.000 HIS 198 0.900 23.623 -2.464 -3.790 -99.200 -91.000 TYR 213 0.840 25.286 2.176 -8.181 -99.200 -91.000 TRP 217 1.040 13.223 -0.398 -2.062 -99.200 -91.000 TRP6 217 1.020 13.287 -2.525 -3.153 -99.200 -91.000 TRP 227 1.040 3.916 -1.492 2.215 -99.200 -91.000 TRP6 227 1.020 3.313 -2.509 0.168 -99.200 -91.000 PHE 240 1.000 18.538 19.816 -5.579 -99.200 -91.000 TYR 245 0.840 23.868 13.486 -6.750 -99.200 -91.000 PHE 248 1.000 18.185 13.411 -8.595 -99.200 -91.000 TYR 250 0.840 13.923 9.279 -11.263 -99.200 -91.000 PHE 255 1.000 7.502 -1.300 -11.482 -99.200 -91.000 HIS 259 0.900 3.680 -2.179 -15.558 -99.200 -91.000 TYR 264 0.840 0.127 9.528 -11.328 -99.200 -91.000 TYR 268 0.840 1.949 14.109 -11.466 -99.200 -91.000 TYR 281 0.840 11.480 11.667 -15.151 -99.200 -91.000 TYR 282 0.840 17.978 13.481 -18.942 -99.200 -91.000 PHE 293 1.000 12.049 -7.975 -21.530 -99.200 -91.000