============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 25 1.000 44.663 4.633 1.546 -99.200 -91.000 TYR 37 0.840 22.785 -5.127 4.899 -99.200 -91.000 TRP 43 1.040 25.955 -13.104 -4.605 -99.200 -91.000 TRP6 43 1.020 27.987 -12.153 -3.858 -99.200 -91.000 PHE 50 1.000 23.790 -24.036 -5.609 -99.200 -91.000 PHE 62 1.000 39.237 -10.827 5.286 -99.200 -91.000 PHE 85 1.000 32.598 2.513 9.336 -99.200 -91.000 PHE 86 1.000 31.919 3.372 14.677 -99.200 -91.000 TYR 90 0.840 28.975 -1.669 15.359 -99.200 -91.000 TYR 102 0.840 30.816 -14.410 4.875 -99.200 -91.000 HIS 107 0.900 47.933 -14.818 2.651 -99.200 -91.000 HIS 119 0.900 30.804 -11.742 14.455 -99.200 -91.000 PHE 122 1.000 32.291 -23.725 6.253 -99.200 -91.000 PHE 131 1.000 42.268 -11.932 16.683 -99.200 -91.000 PHE 140 1.000 33.116 -0.138 21.433 -99.200 -91.000 TYR 147 0.840 27.499 -14.202 19.771 -99.200 -91.000 PHE 148 1.000 35.634 -12.235 18.085 -99.200 -91.000 TYR 158 0.840 35.868 -11.789 29.538 -99.200 -91.000 PHE 159 1.000 46.437 -12.031 26.785 -99.200 -91.000 PHE 165 1.000 49.748 -12.327 22.834 -99.200 -91.000 TYR 173 0.840 42.895 -25.032 13.617 -99.200 -91.000 HIS 180 0.900 37.841 -25.506 8.134 -99.200 -91.000 PHE 181 1.000 47.907 -22.618 9.024 -99.200 -91.000 TYR 211 0.840 42.848 -27.496 -0.813 -99.200 -91.000 HIS 212 0.900 42.939 -27.709 9.706 -99.200 -91.000 PHE 223 1.000 46.267 -20.392 21.715 -99.200 -91.000 HIS 228 0.900 52.358 -17.566 29.095 -99.200 -91.000 PHE 235 1.000 43.600 -10.708 31.298 -99.200 -91.000 PHE 254 1.000 51.385 -13.876 28.792 -99.200 -91.000 TYR 290 0.840 24.553 3.178 16.300 -99.200 -91.000 HIS 299 0.900 41.707 12.966 25.232 -99.200 -91.000 PHE 301 1.000 37.585 7.194 17.033 -99.200 -91.000 HIS 302 0.900 37.362 12.148 18.575 -99.200 -91.000 TRP 318 1.040 45.577 6.451 26.691 -99.200 -91.000 TRP6 318 1.020 44.771 6.362 24.483 -99.200 -91.000 HIS 334 0.900 31.482 5.911 27.561 -99.200 -91.000 PHE 335 1.000 28.549 -0.476 28.600 -99.200 -91.000 PHE 345 1.000 20.776 -6.013 14.461 -99.200 -91.000 TYR 350 0.840 8.968 -7.508 11.249 -99.200 -91.000 PHE 351 1.000 12.267 -4.751 16.808 -99.200 -91.000