============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 2 0.900 -3.781 61.416 11.181 -99.200 -91.000 PHE 32 1.000 -2.478 56.932 -13.773 -99.200 -91.000 PHE 38 1.000 -1.157 60.119 7.814 -99.200 -91.000 TRP 50 1.040 -1.358 55.556 -9.122 -99.200 -91.000 TRP6 50 1.020 0.269 54.430 -10.460 -99.200 -91.000 PHE 57 1.000 1.735 56.405 -16.234 -99.200 -91.000 TYR 64 0.840 4.443 65.375 -6.274 -99.200 -91.000 TYR 67 0.840 8.431 54.379 0.200 -99.200 -91.000 HIS 69 0.900 7.676 48.588 -0.566 -99.200 -91.000 HIS 85 0.900 16.371 53.790 -12.479 -99.200 -91.000 PHE 93 1.000 9.779 53.565 -7.701 -99.200 -91.000 TYR 98 0.840 11.837 60.596 -12.060 -99.200 -91.000 TRP 102 1.040 5.740 56.051 -13.321 -99.200 -91.000 TRP6 102 1.020 5.413 54.461 -11.593 -99.200 -91.000 HIS 107 0.900 -3.654 46.479 -13.088 -99.200 -91.000 TYR 112 0.840 -0.672 57.622 -2.801 -99.200 -91.000 PHE 113 1.000 4.632 59.361 3.978 -99.200 -91.000 HIS 116 0.900 1.891 67.782 -2.027 -99.200 -91.000