============================================================================= 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 -5.332 -21.425 -5.537 -99.200 -91.000 PHE 23 1.000 0.156 -23.286 -7.991 -99.200 -91.000 TRP 31 1.040 4.876 -24.352 -12.342 -99.200 -91.000 TRP6 31 1.020 6.212 -22.676 -11.389 -99.200 -91.000 PHE 34 1.000 5.887 -21.441 -0.299 -99.200 -91.000 HIS 46 0.900 -0.653 -8.372 5.006 -99.200 -91.000 PHE 54 1.000 9.206 -16.335 -0.097 -99.200 -91.000 TYR 59 0.840 8.949 -19.454 -3.771 -99.200 -91.000 TYR 68 0.840 -12.264 -8.494 -8.104 -99.200 -91.000 TRP 69 1.040 -12.052 -8.652 -13.465 -99.200 -91.000 TRP6 69 1.020 -12.641 -6.462 -12.815 -99.200 -91.000 PHE 77 1.000 -8.193 -11.344 -23.672 -99.200 -91.000 HIS 78 0.900 -5.871 -10.541 -19.289 -99.200 -91.000 HIS 80 0.900 -4.294 -18.171 -14.639 -99.200 -91.000 PHE 85 1.000 8.084 -13.939 -6.911 -99.200 -91.000 TYR 95 0.840 11.063 -11.587 -2.774 -99.200 -91.000 TYR 104 0.840 -12.113 -7.455 -22.611 -99.200 -91.000 TYR 106 0.840 -2.520 -9.332 -15.794 -99.200 -91.000