============================================================================= 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. PHE 6 1.000 -18.207 -5.850 21.525 -99.200 -91.000 HIS 7 0.900 -22.699 -11.539 19.194 -99.200 -91.000 TYR 14 0.840 -13.305 -10.637 18.893 -99.200 -91.000 HIS 44 0.900 -2.407 -13.929 39.778 -99.200 -91.000 HIS 47 0.900 -3.084 -12.847 36.091 -99.200 -91.000 PHE 67 1.000 1.643 -14.740 22.801 -99.200 -91.000 PHE 90 1.000 -4.993 -10.662 20.419 -99.200 -91.000 TYR 98 0.840 6.422 -12.954 18.669 -99.200 -91.000 HIS 123 0.900 11.521 -11.609 31.765 -99.200 -91.000 PHE 124 1.000 13.061 -7.048 32.984 -99.200 -91.000 PHE 144 1.000 -6.214 -0.342 33.684 -99.200 -91.000 PHE 145 1.000 1.574 -3.598 31.580 -99.200 -91.000 TYR 150 0.840 8.439 -0.086 40.886 -99.200 -91.000 PHE 163 1.000 10.463 2.296 21.088 -99.200 -91.000 TYR 189 0.840 5.179 -24.683 40.306 -99.200 -91.000 HIS 210 0.900 5.068 0.369 58.352 -99.200 -91.000 TYR 237 0.840 17.009 -8.130 42.905 -99.200 -91.000