============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 10 1.000 -4.328 9.325 35.452 -99.200 -91.000 TYR 13 0.840 -8.079 15.534 31.822 -99.200 -91.000 PHE 14 1.000 -8.769 8.639 33.451 -99.200 -91.000 PHE 25 1.000 -9.092 4.385 28.952 -99.200 -91.000 PHE 35 1.000 0.112 -7.799 19.509 -99.200 -91.000 HIS 36 0.900 0.093 -3.072 18.712 -99.200 -91.000 PHE 38 1.000 8.360 -4.721 25.828 -99.200 -91.000 TYR 46 0.840 22.287 -14.856 25.270 -99.200 -91.000 TYR 65 0.840 -2.738 -5.707 43.357 -99.200 -91.000 TYR 78 0.840 17.298 -13.563 15.798 -99.200 -91.000 HIS 99 0.900 -7.849 -11.121 38.896 -99.200 -91.000 TYR 104 0.840 -2.477 -18.729 18.069 -99.200 -91.000 TYR 110 0.840 -7.220 -11.032 17.015 -99.200 -91.000 TYR 113 0.840 -9.746 -13.969 27.544 -99.200 -91.000 PHE 117 1.000 -14.717 -6.616 35.650 -99.200 -91.000