============================================================================= 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. PHE 5 1.000 16.437 29.550 4.478 -99.200 -91.000 TYR 10 0.840 13.998 34.556 6.111 -99.200 -91.000 TRP 34 1.040 5.593 32.041 15.115 -99.200 -91.000 TRP6 34 1.020 3.563 33.132 14.670 -99.200 -91.000 HIS 35 0.900 9.605 40.945 17.166 -99.200 -91.000 HIS 37 0.900 7.465 45.009 18.670 -99.200 -91.000 HIS 45 0.900 -0.845 28.453 16.971 -99.200 -91.000 HIS 47 0.900 0.140 23.626 13.922 -99.200 -91.000 HIS 49 0.900 -5.587 15.471 11.645 -99.200 -91.000 TRP 54 1.040 6.471 27.053 18.974 -99.200 -91.000 TRP6 54 1.020 5.390 28.580 20.403 -99.200 -91.000 TYR 63 0.840 4.364 26.141 24.812 -99.200 -91.000 HIS 64 0.900 -0.607 32.124 26.637 -99.200 -91.000 HIS 72 0.900 9.122 32.808 32.056 -99.200 -91.000 HIS 87 0.900 0.924 25.010 18.909 -99.200 -91.000 PHE 96 1.000 8.927 33.833 23.172 -99.200 -91.000 PHE 98 1.000 7.980 31.180 18.843 -99.200 -91.000 PHE 109 1.000 -4.117 28.242 12.574 -99.200 -91.000