============================================================================= 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 -5.290 -21.469 -5.509 -99.200 -91.000 PHE 23 1.000 0.164 -23.289 -7.948 -99.200 -91.000 TRP 31 1.040 4.922 -24.421 -12.308 -99.200 -91.000 TRP6 31 1.020 6.245 -22.703 -11.407 -99.200 -91.000 PHE 34 1.000 5.888 -21.465 -0.305 -99.200 -91.000 HIS 46 0.900 -0.649 -8.389 5.080 -99.200 -91.000 PHE 54 1.000 9.231 -16.325 -0.110 -99.200 -91.000 TYR 59 0.840 8.949 -19.462 -3.784 -99.200 -91.000 TYR 68 0.840 -12.250 -8.515 -8.096 -99.200 -91.000 TRP 69 1.040 -12.042 -8.693 -13.445 -99.200 -91.000 TRP6 69 1.020 -12.634 -6.508 -12.800 -99.200 -91.000 PHE 77 1.000 -8.186 -11.355 -23.689 -99.200 -91.000 HIS 78 0.900 -5.855 -10.550 -19.297 -99.200 -91.000 HIS 80 0.900 -4.222 -18.187 -14.701 -99.200 -91.000 PHE 85 1.000 8.093 -13.929 -6.932 -99.200 -91.000 TYR 95 0.840 11.079 -11.583 -2.765 -99.200 -91.000 TYR 104 0.840 -12.084 -7.449 -22.597 -99.200 -91.000 TYR 106 0.840 -2.524 -9.350 -15.807 -99.200 -91.000