============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 26 0.840 -4.736 7.893 41.973 -99.200 -91.000 PHE 28 1.000 -6.992 6.690 35.426 -99.200 -91.000 TYR 31 0.840 -9.033 9.537 45.161 -99.200 -91.000 TRP 32 1.040 -15.277 12.580 39.808 -99.200 -91.000 TRP6 32 1.020 -16.748 13.331 38.120 -99.200 -91.000 TRP 35 1.040 -6.747 17.273 32.472 -99.200 -91.000 TRP6 35 1.020 -4.547 16.987 31.649 -99.200 -91.000 TRP 46 1.040 -11.237 22.944 37.236 -99.200 -91.000 TRP6 46 1.020 -13.484 22.677 36.509 -99.200 -91.000 TYR 56 0.840 -21.773 9.833 33.577 -99.200 -91.000 TYR 59 0.840 -15.025 19.071 28.941 -99.200 -91.000 PHE 63 1.000 -9.441 26.922 29.300 -99.200 -91.000 TYR 76 0.840 -4.538 9.230 26.923 -99.200 -91.000 TYR 89 0.840 -2.518 24.025 28.831 -99.200 -91.000 TYR 90 0.840 0.786 22.842 36.866 -99.200 -91.000 TYR 97 0.840 -8.263 12.723 53.027 -99.200 -91.000 PHE 98 1.000 -5.535 10.592 46.296 -99.200 -91.000 TYR 100 0.840 -1.526 12.794 46.433 -99.200 -91.000 TRP 101 1.040 -1.803 20.133 42.304 -99.200 -91.000 TRP6 101 1.020 -2.480 21.964 40.987 -99.200 -91.000 TYR 120 0.840 29.309 30.349 22.555 -99.200 -91.000 TYR 137 0.840 17.823 28.089 25.324 -99.200 -91.000 PHE 138 1.000 11.054 28.750 20.021 -99.200 -91.000 TRP 146 1.040 27.333 24.517 37.036 -99.200 -91.000 TRP6 146 1.020 29.219 25.290 35.823 -99.200 -91.000 HIS 156 0.900 24.068 32.349 42.706 -99.200 -91.000 PHE 158 1.000 22.617 34.476 37.113 -99.200 -91.000 TYR 167 0.840 13.004 31.572 24.941 -99.200 -91.000 TRP 180 1.040 38.648 25.775 37.348 -99.200 -91.000 TRP6 180 1.020 39.356 27.803 36.360 -99.200 -91.000 HIS 191 0.900 16.714 22.840 23.224 -99.200 -91.000