============================================================================= 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 6 1.000 24.209 -3.001 13.489 -99.200 -91.000 TRP 14 1.040 19.586 -8.946 30.230 -99.200 -91.000 TRP6 14 1.020 20.115 -11.171 29.626 -99.200 -91.000 PHE 15 1.000 18.848 -2.351 26.404 -99.200 -91.000 TYR 19 0.840 12.506 4.905 23.656 -99.200 -91.000 HIS 22 0.900 11.825 15.861 25.071 -99.200 -91.000 TYR 28 0.840 17.758 4.683 24.374 -99.200 -91.000 TRP 39 1.040 10.816 -3.165 42.046 -99.200 -91.000 TRP6 39 1.020 10.941 -0.880 42.651 -99.200 -91.000 HIS 45 0.900 24.955 8.881 33.694 -99.200 -91.000 PHE 47 1.000 16.391 7.566 34.667 -99.200 -91.000 TYR 50 0.840 15.363 17.538 31.771 -99.200 -91.000 TYR 56 0.840 12.449 10.070 32.796 -99.200 -91.000 TYR 59 0.840 7.976 1.364 23.986 -99.200 -91.000 PHE 75 1.000 5.808 -2.881 31.233 -99.200 -91.000 HIS 83 0.900 23.018 5.695 46.533 -99.200 -91.000 TYR 86 0.840 24.787 11.354 40.159 -99.200 -91.000 HIS 93 0.900 28.597 10.736 35.713 -99.200 -91.000 HIS 94 0.900 32.468 9.715 42.797 -99.200 -91.000 TYR 125 0.840 30.794 -6.236 49.926 -99.200 -91.000 PHE 130 1.000 39.208 -7.396 39.412 -99.200 -91.000 PHE 139 1.000 17.991 0.254 21.038 -99.200 -91.000 TYR 147 0.840 23.882 13.967 13.157 -99.200 -91.000 TYR 149 0.840 21.882 8.021 21.103 -99.200 -91.000 HIS 163 0.900 40.741 0.231 42.785 -99.200 -91.000 HIS 170 0.900 50.805 7.088 31.084 -99.200 -91.000 TYR 171 0.840 44.964 1.444 32.042 -99.200 -91.000 TYR 172 0.840 39.191 6.029 33.338 -99.200 -91.000 TRP 188 1.040 43.438 -0.513 24.651 -99.200 -91.000 TRP6 188 1.020 42.416 -0.110 26.744 -99.200 -91.000 TRP 217 1.040 32.715 6.845 35.660 -99.200 -91.000 TRP6 217 1.020 35.040 7.258 35.498 -99.200 -91.000 TYR 230 0.840 30.866 -1.138 32.163 -99.200 -91.000 HIS 235 0.900 31.634 -3.422 46.318 -99.200 -91.000 PHE 236 1.000 26.274 1.189 44.684 -99.200 -91.000 TRP 239 1.040 20.205 2.719 47.339 -99.200 -91.000 TRP6 239 1.020 19.389 2.490 45.131 -99.200 -91.000 HIS 243 0.900 15.848 3.148 48.250 -99.200 -91.000