============================================================================= 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. TYR 17 0.840 -7.382 8.108 50.287 -99.200 -91.000 TRP 18 1.040 -5.417 7.651 54.800 -99.200 -91.000 TRP6 18 1.020 -4.830 5.581 55.799 -99.200 -91.000 HIS 20 0.900 -4.040 5.444 46.927 -99.200 -91.000 PHE 26 1.000 -0.183 3.253 34.568 -99.200 -91.000 HIS 53 0.900 0.115 9.272 61.093 -99.200 -91.000 HIS 56 0.900 -7.904 12.482 56.678 -99.200 -91.000 TYR 61 0.840 -5.592 2.585 60.269 -99.200 -91.000 TYR 65 0.840 1.054 -0.144 49.387 -99.200 -91.000 HIS 66 0.900 -3.351 -7.937 47.384 -99.200 -91.000 TYR 89 0.840 18.610 -5.021 50.648 -99.200 -91.000 PHE 91 1.000 10.731 -9.949 45.429 -99.200 -91.000 PHE 92 1.000 6.961 -11.498 49.706 -99.200 -91.000 HIS 94 0.900 12.118 -3.609 45.128 -99.200 -91.000 TRP 99 1.040 4.841 -6.759 44.560 -99.200 -91.000 TRP6 99 1.020 5.680 -8.814 45.314 -99.200 -91.000 PHE 108 1.000 0.834 -2.287 37.007 -99.200 -91.000 HIS 109 0.900 -6.186 -2.400 33.573 -99.200 -91.000