============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 12 1.000 -18.396 -4.140 24.767 -99.200 -91.000 TRP 14 1.040 -14.002 0.362 25.542 -99.200 -91.000 TRP6 14 1.020 -14.462 -0.276 27.779 -99.200 -91.000 PHE 25 1.000 -16.087 7.102 8.165 -99.200 -91.000 TRP 35 1.040 -5.341 13.724 21.673 -99.200 -91.000 TRP6 35 1.020 -4.530 14.052 19.482 -99.200 -91.000 HIS 41 0.900 -9.371 0.749 7.005 -99.200 -91.000 HIS 56 0.900 -27.761 0.167 23.355 -99.200 -91.000 HIS 63 0.900 -32.804 11.874 25.431 -99.200 -91.000 HIS 76 0.900 3.076 4.575 13.025 -99.200 -91.000 HIS 77 0.900 6.237 7.348 12.312 -99.200 -91.000 TYR 79 0.840 -2.508 3.862 6.326 -99.200 -91.000 TYR 85 0.840 -6.983 -2.784 4.472 -99.200 -91.000 HIS 87 0.900 3.679 0.438 9.812 -99.200 -91.000 TYR 103 0.840 -24.884 5.843 30.177 -99.200 -91.000 TYR 114 0.840 2.419 -6.126 32.817 -99.200 -91.000 PHE 118 1.000 -2.623 -6.478 30.530 -99.200 -91.000 PHE 121 1.000 -4.120 -11.818 30.426 -99.200 -91.000 TYR 125 0.840 -15.064 -9.601 26.189 -99.200 -91.000 TRP 129 1.040 -23.445 1.048 16.436 -99.200 -91.000 TRP6 129 1.020 -21.853 2.211 17.732 -99.200 -91.000 PHE 133 1.000 -27.939 -11.007 8.729 -99.200 -91.000 HIS 134 0.900 -19.396 -12.109 2.747 -99.200 -91.000 TYR 144 0.840 -20.950 -8.498 23.618 -99.200 -91.000 PHE 161 1.000 -5.252 -11.358 -0.175 -99.200 -91.000 TYR 164 0.840 3.405 -6.304 5.562 -99.200 -91.000 PHE 168 1.000 -4.298 -8.751 17.399 -99.200 -91.000 PHE 172 1.000 -15.128 -17.469 17.234 -99.200 -91.000 HIS 173 0.900 -8.607 -22.342 14.135 -99.200 -91.000 HIS 188 0.900 -8.329 -8.004 20.340 -99.200 -91.000 PHE 197 1.000 -5.192 -2.445 31.082 -99.200 -91.000 TRP 204 1.040 -5.897 -6.581 6.824 -99.200 -91.000 TRP6 204 1.020 -5.552 -8.450 5.416 -99.200 -91.000 TYR 214 0.840 -8.109 -18.140 11.151 -99.200 -91.000 TYR 217 0.840 -9.257 -8.201 14.936 -99.200 -91.000 TYR 223 0.840 1.605 0.544 15.152 -99.200 -91.000 TRP 226 1.040 2.329 7.522 16.719 -99.200 -91.000 TRP6 226 1.020 0.108 7.022 16.100 -99.200 -91.000