============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 9 1.000 23.066 12.667 123.176 -99.200 -91.000 PHE 19 1.000 20.236 16.377 124.911 -99.200 -91.000 TYR 21 0.840 24.772 25.094 129.929 -99.200 -91.000 HIS 27 0.900 16.702 13.788 132.066 -99.200 -91.000 HIS 29 0.900 22.692 12.186 140.500 -99.200 -91.000 PHE 31 1.000 24.959 13.157 132.256 -99.200 -91.000 TRP 38 1.040 33.810 16.043 120.720 -99.200 -91.000 TRP6 38 1.020 34.508 14.555 119.020 -99.200 -91.000 HIS 39 0.900 35.147 21.556 115.191 -99.200 -91.000 TRP 40 1.040 35.207 13.545 113.870 -99.200 -91.000 TRP6 40 1.020 36.900 12.583 115.199 -99.200 -91.000 HIS 47 0.900 29.947 14.077 111.941 -99.200 -91.000 HIS 49 0.900 25.490 17.660 111.758 -99.200 -91.000 TYR 56 0.840 25.203 6.948 129.002 -99.200 -91.000 HIS 57 0.900 29.534 2.312 137.053 -99.200 -91.000 PHE 65 1.000 20.941 10.108 128.483 -99.200 -91.000 HIS 77 0.900 20.007 8.675 119.833 -99.200 -91.000 PHE 81 1.000 30.104 -0.611 124.325 -99.200 -91.000 HIS 85 0.900 44.889 3.775 129.101 -99.200 -91.000