============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 27 0.840 41.562 23.432 12.888 -99.200 -91.000 PHE 29 1.000 46.486 28.297 12.069 -99.200 -91.000 TYR 32 0.840 37.015 25.297 9.023 -99.200 -91.000 HIS 35 0.900 35.771 33.477 15.451 -99.200 -91.000 TRP 36 1.040 42.411 34.887 19.378 -99.200 -91.000 TRP6 36 1.020 43.931 33.535 20.567 -99.200 -91.000 TYR 47 0.840 34.014 37.433 18.908 -99.200 -91.000 TRP 50 1.040 37.293 37.385 12.140 -99.200 -91.000 TRP6 50 1.020 35.190 38.415 12.267 -99.200 -91.000 PHE 60 1.000 41.879 43.156 17.446 -99.200 -91.000 PHE 64 1.000 37.741 42.743 24.037 -99.200 -91.000 PHE 68 1.000 42.747 43.122 24.372 -99.200 -91.000 PHE 70 1.000 42.695 38.866 17.671 -99.200 -91.000 PHE 80 1.000 51.811 32.864 18.027 -99.200 -91.000 TYR 93 0.840 42.315 37.725 27.627 -99.200 -91.000 PHE 94 1.000 37.931 30.396 27.935 -99.200 -91.000 HIS 100 0.900 32.674 26.462 4.474 -99.200 -91.000 TYR 102 0.840 29.232 30.400 4.036 -99.200 -91.000 PHE 106 1.000 32.592 32.269 18.951 -99.200 -91.000 TYR 108 0.840 35.288 21.639 16.474 -99.200 -91.000 TRP 109 1.040 34.324 27.370 22.964 -99.200 -91.000 TRP6 109 1.020 34.111 29.489 23.975 -99.200 -91.000 TYR 128 0.840 49.068 37.337 60.778 -99.200 -91.000