============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 8 1.040 19.208 16.052 -6.890 -99.200 -91.000 TRP6 8 1.020 17.952 14.206 -7.651 -99.200 -91.000 PHE 12 1.000 19.431 13.977 1.583 -99.200 -91.000 PHE 21 1.000 13.672 12.580 -3.778 -99.200 -91.000 TYR 43 0.840 18.171 2.326 5.762 -99.200 -91.000 PHE 49 1.000 4.211 -5.153 4.856 -99.200 -91.000 HIS 66 0.900 -17.122 2.391 -0.964 -99.200 -91.000 PHE 69 1.000 -10.465 -1.804 7.772 -99.200 -91.000 TRP 71 1.040 -11.409 2.381 19.318 -99.200 -91.000 TRP6 71 1.020 -12.258 4.054 20.748 -99.200 -91.000 TRP 81 1.040 -3.574 5.550 14.916 -99.200 -91.000 TRP6 81 1.020 -1.787 4.325 15.850 -99.200 -91.000 PHE 99 1.000 -3.472 -1.142 6.969 -99.200 -91.000 TYR 114 0.840 -1.207 -12.462 -1.902 -99.200 -91.000 PHE 118 1.000 2.211 -7.816 -3.543 -99.200 -91.000 TYR 120 0.840 7.568 -4.412 0.703 -99.200 -91.000 PHE 132 1.000 5.333 -8.611 8.368 -99.200 -91.000 TRP 133 1.040 4.098 -3.122 9.653 -99.200 -91.000 TRP6 133 1.020 2.709 -4.958 10.153 -99.200 -91.000 PHE 148 1.000 4.683 -2.637 -3.511 -99.200 -91.000 TYR 153 0.840 1.448 5.451 -12.935 -99.200 -91.000 TYR 179 0.840 1.984 18.440 -8.438 -99.200 -91.000 HIS 182 0.900 -2.143 8.076 -6.460 -99.200 -91.000 PHE 187 1.000 9.655 8.715 13.628 -99.200 -91.000 TRP 200 1.040 11.165 3.878 4.982 -99.200 -91.000 TRP6 200 1.020 12.221 3.216 2.978 -99.200 -91.000 TRP 201 1.040 6.144 11.545 1.701 -99.200 -91.000 TRP6 201 1.020 6.251 13.545 0.462 -99.200 -91.000 TRP 204 1.040 1.871 7.443 -8.400 -99.200 -91.000 TRP6 204 1.020 1.460 5.453 -7.203 -99.200 -91.000 TYR 212 0.840 8.618 13.975 -12.914 -99.200 -91.000 PHE 213 1.000 6.493 5.608 -11.226 -99.200 -91.000 PHE 214 1.000 7.670 10.826 -3.524 -99.200 -91.000 PHE 216 1.000 14.120 11.882 2.707 -99.200 -91.000