============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. HIS 22 0.900 42.059 -0.993 20.987 -99.200 -91.000 PHE 24 1.000 44.104 -3.594 15.904 -99.200 -91.000 TRP 32 1.040 44.383 -8.073 11.890 -99.200 -91.000 TRP6 32 1.020 43.192 -7.006 10.132 -99.200 -91.000 PHE 35 1.000 44.284 3.868 9.637 -99.200 -91.000 HIS 47 0.900 31.927 12.082 14.648 -99.200 -91.000 PHE 55 1.000 39.675 4.770 5.402 -99.200 -91.000 TYR 60 0.840 42.022 0.729 6.614 -99.200 -91.000 TYR 69 0.840 28.531 -0.988 26.911 -99.200 -91.000 TRP 70 1.040 28.172 -6.582 26.612 -99.200 -91.000 TRP6 70 1.020 26.333 -5.222 26.007 -99.200 -91.000 HIS 79 0.900 36.625 -12.099 21.011 -99.200 -91.000 HIS 81 0.900 39.030 -7.503 21.270 -99.200 -91.000 PHE 86 1.000 36.579 -0.641 6.909 -99.200 -91.000 TYR 96 0.840 34.927 2.467 3.409 -99.200 -91.000 TYR 105 0.840 26.703 -14.906 24.973 -99.200 -91.000 TYR 107 0.840 29.139 -8.648 15.737 -99.200 -91.000