============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 20 1.000 -17.940 48.122 14.292 -99.200 -91.000 HIS 22 0.900 -18.515 51.686 11.273 -99.200 -91.000 HIS 25 0.900 -19.547 50.362 18.126 -99.200 -91.000 HIS 34 0.900 -11.934 52.472 10.838 -99.200 -91.000 HIS 35 0.900 -4.172 51.460 14.503 -99.200 -91.000 TYR 43 0.840 -11.026 56.654 8.036 -99.200 -91.000 HIS 52 0.900 -3.882 44.737 13.566 -99.200 -91.000 TYR 65 0.840 -9.107 35.110 19.651 -99.200 -91.000 TYR 66 0.840 -2.920 40.470 21.759 -99.200 -91.000 HIS 69 0.900 -11.949 37.900 20.004 -99.200 -91.000 HIS 76 0.900 -3.261 52.232 18.256 -99.200 -91.000 HIS 83 0.900 -18.182 45.945 23.069 -99.200 -91.000 HIS 106 0.900 -18.147 35.534 18.443 -99.200 -91.000