============================================================================= 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 -5.440 -21.580 -5.583 -99.200 -91.000 PHE 23 1.000 0.038 -23.387 -8.041 -99.200 -91.000 TRP 31 1.040 4.738 -24.252 -12.404 -99.200 -91.000 TRP6 31 1.020 6.161 -22.681 -11.410 -99.200 -91.000 PHE 34 1.000 5.764 -21.750 -0.417 -99.200 -91.000 HIS 46 0.900 -0.862 -8.432 5.170 -99.200 -91.000 PHE 54 1.000 9.133 -16.604 -0.215 -99.200 -91.000 TYR 59 0.840 8.889 -19.651 -3.852 -99.200 -91.000 TYR 68 0.840 -12.314 -8.573 -8.200 -99.200 -91.000 TRP 69 1.040 -12.027 -8.658 -13.554 -99.200 -91.000 TRP6 69 1.020 -12.603 -6.472 -12.894 -99.200 -91.000 PHE 77 1.000 -8.141 -11.506 -23.747 -99.200 -91.000 HIS 78 0.900 -5.858 -10.611 -19.400 -99.200 -91.000 HIS 80 0.900 -4.590 -18.600 -14.575 -99.200 -91.000 PHE 85 1.000 8.035 -14.157 -6.975 -99.200 -91.000 TYR 95 0.840 11.003 -11.764 -2.758 -99.200 -91.000 TYR 104 0.840 -11.948 -7.541 -22.710 -99.200 -91.000 TYR 106 0.840 -2.591 -9.460 -15.847 -99.200 -91.000