============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 2 0.840 -26.680 8.474 2.095 -99.200 -91.000 PHE 3 1.000 -27.194 16.148 -1.886 -99.200 -91.000 PHE 13 1.000 -17.032 43.807 -6.886 -99.200 -91.000 TRP 14 1.040 -18.478 47.040 -9.026 -99.200 -91.000 TRP6 14 1.020 -17.504 48.557 -7.487 -99.200 -91.000 PHE 17 1.000 -23.241 52.853 -11.548 -99.200 -91.000 TYR 27 0.840 -22.865 37.556 -4.770 -99.200 -91.000 PHE 29 1.000 -23.555 30.278 -3.019 -99.200 -91.000 HIS 31 0.900 -21.994 19.469 -2.431 -99.200 -91.000 PHE 34 1.000 -27.136 21.653 -9.120 -99.200 -91.000 TYR 51 0.840 -14.919 33.510 -12.113 -99.200 -91.000 HIS 64 0.900 -33.551 42.455 -5.362 -99.200 -91.000 TYR 65 0.840 -38.498 38.514 -10.416 -99.200 -91.000 HIS 66 0.900 -34.748 46.928 -7.000 -99.200 -91.000 HIS 67 0.900 -34.250 47.331 -14.533 -99.200 -91.000 HIS 69 0.900 -29.711 42.268 -6.763 -99.200 -91.000 TYR 78 0.840 -31.853 36.618 -26.866 -99.200 -91.000 TYR 96 0.840 -35.233 26.154 -8.811 -99.200 -91.000 HIS 98 0.900 -40.333 37.869 -5.903 -99.200 -91.000 PHE 100 1.000 -44.871 36.903 -2.814 -99.200 -91.000 PHE 105 1.000 -42.287 32.228 -11.926 -99.200 -91.000 HIS 106 0.900 -44.794 35.295 -19.336 -99.200 -91.000 HIS 110 0.900 -36.508 31.869 -25.454 -99.200 -91.000 HIS 113 0.900 -33.971 27.202 -26.197 -99.200 -91.000 TYR 119 0.840 -37.568 32.292 -4.331 -99.200 -91.000 PHE 130 1.000 -25.391 24.384 -3.749 -99.200 -91.000 PHE 134 1.000 -36.033 30.953 -0.747 -99.200 -91.000 HIS 139 0.900 -33.961 46.538 -2.030 -99.200 -91.000 PHE 144 1.000 -39.318 36.524 -0.653 -99.200 -91.000 TYR 156 0.840 -27.333 37.334 -2.135 -99.200 -91.000 TYR 162 0.840 -30.684 45.638 12.397 -99.200 -91.000 PHE 166 1.000 -31.121 40.260 6.921 -99.200 -91.000 PHE 169 1.000 -32.607 33.643 6.546 -99.200 -91.000 PHE 176 1.000 -25.015 38.463 6.968 -99.200 -91.000 TYR 182 0.840 -18.248 54.389 2.031 -99.200 -91.000 HIS 184 0.900 -20.061 59.019 5.706 -99.200 -91.000 HIS 192 0.900 -29.449 49.406 -0.968 -99.200 -91.000 HIS 213 0.900 -26.568 46.199 -3.784 -99.200 -91.000 HIS 216 0.900 -21.257 52.095 -8.349 -99.200 -91.000 PHE 231 1.000 -17.830 39.443 12.472 -99.200 -91.000 HIS 234 0.900 -10.947 36.901 6.980 -99.200 -91.000 HIS 239 0.900 -11.512 40.125 -3.734 -99.200 -91.000 TYR 242 0.840 -13.458 35.837 -0.883 -99.200 -91.000 TRP 244 1.040 -16.077 30.955 2.666 -99.200 -91.000 TRP6 244 1.020 -17.832 29.368 2.774 -99.200 -91.000