============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 27 1.000 -3.001 81.260 8.714 -99.200 -91.000 PHE 31 1.000 0.696 78.303 6.821 -99.200 -91.000 PHE 37 1.000 11.212 83.947 7.882 -99.200 -91.000 TRP 43 1.040 1.844 80.073 -3.498 -99.200 -91.000 TRP6 43 1.020 -0.198 80.786 -2.556 -99.200 -91.000 TYR 49 0.840 -3.476 75.242 7.663 -99.200 -91.000 TYR 50 0.840 -5.605 78.345 3.362 -99.200 -91.000 TRP 52 1.040 -4.489 66.818 5.595 -99.200 -91.000 TRP6 52 1.020 -5.694 67.075 7.608 -99.200 -91.000 HIS 64 0.900 -15.919 72.878 21.861 -99.200 -91.000 TYR 76 0.840 -4.029 59.333 21.596 -99.200 -91.000 HIS 77 0.900 -1.422 64.929 22.891 -99.200 -91.000 TYR 93 0.840 0.274 62.386 19.895 -99.200 -91.000 HIS 97 0.900 -3.549 55.222 28.786 -99.200 -91.000 TRP 98 1.040 -8.080 54.932 19.386 -99.200 -91.000 TRP6 98 1.020 -6.860 54.481 17.430 -99.200 -91.000 PHE 103 1.000 -13.079 58.735 22.226 -99.200 -91.000 TYR 106 0.840 -11.673 59.364 9.432 -99.200 -91.000 PHE 109 1.000 -4.645 62.785 10.913 -99.200 -91.000 PHE 134 1.000 2.617 59.022 17.478 -99.200 -91.000 TRP 139 1.040 -1.284 48.449 16.412 -99.200 -91.000 TRP6 139 1.020 -1.875 50.663 15.772 -99.200 -91.000 PHE 141 1.000 -3.773 41.668 14.251 -99.200 -91.000 HIS 143 0.900 -5.461 50.404 19.165 -99.200 -91.000 PHE 145 1.000 -11.996 47.234 10.192 -99.200 -91.000 PHE 163 1.000 -0.643 72.065 11.551 -99.200 -91.000 HIS 171 0.900 12.660 59.943 19.015 -99.200 -91.000 PHE 179 1.000 2.793 50.862 14.151 -99.200 -91.000 HIS 180 0.900 7.128 45.487 8.721 -99.200 -91.000 PHE 183 1.000 6.875 53.212 9.469 -99.200 -91.000 PHE 188 1.000 0.682 56.361 0.466 -99.200 -91.000 HIS 198 0.900 14.896 58.967 15.542 -99.200 -91.000 HIS 199 0.900 13.840 55.158 20.540 -99.200 -91.000 TYR 203 0.840 10.665 52.599 26.542 -99.200 -91.000 HIS 210 0.900 17.241 60.142 20.102 -99.200 -91.000 PHE 211 1.000 12.781 63.077 22.975 -99.200 -91.000 TYR 219 0.840 6.637 56.765 28.305 -99.200 -91.000 PHE 224 1.000 7.289 65.378 33.736 -99.200 -91.000 TRP 232 1.040 -1.836 69.422 25.417 -99.200 -91.000 TRP6 232 1.020 -0.602 71.433 25.223 -99.200 -91.000 PHE 235 1.000 -2.837 75.681 26.319 -99.200 -91.000 TYR 241 0.840 -6.626 79.835 18.321 -99.200 -91.000