============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 8 1.040 0.365 40.981 -1.572 -99.200 -91.000 TRP6 8 1.020 2.023 41.795 -3.028 -99.200 -91.000 TYR 9 0.840 0.464 41.331 8.879 -99.200 -91.000 TYR 15 0.840 11.104 44.751 1.774 -99.200 -91.000 TYR 16 0.840 7.884 48.216 11.826 -99.200 -91.000 TYR 21 0.840 11.041 52.061 9.733 -99.200 -91.000 TYR 27 0.840 6.419 44.363 -0.513 -99.200 -91.000 TYR 28 0.840 3.044 46.618 7.028 -99.200 -91.000 TYR 35 0.840 -8.727 41.002 5.756 -99.200 -91.000 TRP 42 1.040 -6.866 49.229 8.144 -99.200 -91.000 TRP6 42 1.020 -6.635 51.087 6.693 -99.200 -91.000 TYR 43 0.840 -0.187 47.693 16.069 -99.200 -91.000 TYR 49 0.840 2.349 56.199 6.580 -99.200 -91.000 TYR 50 0.840 5.769 56.099 17.188 -99.200 -91.000 TYR 55 0.840 5.856 61.123 15.676 -99.200 -91.000 TYR 61 0.840 -2.697 55.000 7.470 -99.200 -91.000 TYR 62 0.840 -0.380 53.403 15.705 -99.200 -91.000 TYR 69 0.840 -6.839 42.957 17.927 -99.200 -91.000 TRP 76 1.040 -7.003 50.576 22.798 -99.200 -91.000 TRP6 76 1.020 -8.282 52.450 22.167 -99.200 -91.000 TYR 77 0.840 3.363 51.433 24.774 -99.200 -91.000 TYR 83 0.840 -3.761 61.506 19.639 -99.200 -91.000 TYR 84 0.840 5.967 61.353 25.103 -99.200 -91.000 TYR 89 0.840 3.335 65.646 27.190 -99.200 -91.000 TYR 95 0.840 -6.712 57.934 22.555 -99.200 -91.000 TYR 96 0.840 1.052 56.746 26.845 -99.200 -91.000 TYR 103 0.840 -1.080 45.397 28.329 -99.200 -91.000