============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 4 0.840 3.037 -5.276 10.581 -99.200 -91.000 HIS 7 0.900 -2.209 -12.343 18.852 -99.200 -91.000 TYR 14 0.840 -7.943 -5.056 22.341 -99.200 -91.000 TRP 15 1.040 -2.566 -4.880 20.046 -99.200 -91.000 TRP6 15 1.020 -1.695 -6.857 20.943 -99.200 -91.000 PHE 19 1.000 -5.429 -1.864 12.645 -99.200 -91.000 PHE 23 1.000 -3.289 -0.790 17.869 -99.200 -91.000 TRP 25 1.040 0.706 1.525 21.397 -99.200 -91.000 TRP6 25 1.020 2.796 2.351 22.133 -99.200 -91.000 PHE 31 1.000 14.379 2.946 30.820 -99.200 -91.000 PHE 50 1.000 -1.625 -2.372 9.657 -99.200 -91.000 TYR 52 0.840 2.079 1.633 13.188 -99.200 -91.000 PHE 61 1.000 15.866 8.213 30.523 -99.200 -91.000 TRP 75 1.040 15.206 -2.563 24.059 -99.200 -91.000 TRP6 75 1.020 14.643 -1.997 26.284 -99.200 -91.000 TYR 83 0.840 -2.899 -7.142 33.540 -99.200 -91.000 HIS 104 0.900 22.160 -6.247 35.283 -99.200 -91.000 TYR 105 0.840 19.118 2.022 32.336 -99.200 -91.000 TYR 113 0.840 -0.562 -2.701 24.051 -99.200 -91.000 TYR 125 0.840 -2.242 -12.869 24.520 -99.200 -91.000 HIS 136 0.900 24.408 1.654 14.111 -99.200 -91.000 TYR 140 0.840 22.834 4.080 16.733 -99.200 -91.000 TYR 146 0.840 13.282 -9.669 12.263 -99.200 -91.000 HIS 153 0.900 -3.512 -20.536 24.299 -99.200 -91.000