============================================================================= 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 21 0.900 -5.176 -21.370 -5.537 -99.200 -91.000 PHE 23 1.000 0.268 -23.231 -8.062 -99.200 -91.000 TRP 31 1.040 4.819 -24.080 -12.392 -99.200 -91.000 TRP6 31 1.020 6.300 -22.512 -11.413 -99.200 -91.000 PHE 34 1.000 6.005 -21.652 -0.421 -99.200 -91.000 HIS 46 0.900 -0.624 -8.172 5.304 -99.200 -91.000 PHE 54 1.000 9.372 -16.365 -0.184 -99.200 -91.000 TYR 59 0.840 9.105 -19.484 -3.854 -99.200 -91.000 TYR 68 0.840 -12.201 -8.689 -8.098 -99.200 -91.000 TRP 69 1.040 -12.025 -8.809 -13.383 -99.200 -91.000 TRP6 69 1.020 -12.653 -6.626 -12.736 -99.200 -91.000 PHE 77 1.000 -8.304 -11.398 -23.672 -99.200 -91.000 HIS 78 0.900 -5.862 -10.550 -19.325 -99.200 -91.000 HIS 80 0.900 -4.015 -18.188 -14.573 -99.200 -91.000 PHE 85 1.000 8.360 -13.937 -6.957 -99.200 -91.000 TYR 95 0.840 11.113 -11.522 -2.821 -99.200 -91.000 TYR 104 0.840 -12.124 -7.443 -22.523 -99.200 -91.000 TYR 106 0.840 -2.463 -9.429 -15.848 -99.200 -91.000