============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 4 0.840 -15.811 -2.024 36.375 -99.200 -91.000 PHE 18 1.000 -4.994 -5.868 44.633 -99.200 -91.000 PHE 19 1.000 -3.662 -8.099 52.914 -99.200 -91.000 HIS 37 0.900 -6.548 8.458 70.832 -99.200 -91.000 PHE 40 1.000 -6.665 -0.596 73.936 -99.200 -91.000 TYR 50 0.840 -3.756 -11.179 74.475 -99.200 -91.000 PHE 62 1.000 2.780 0.506 62.075 -99.200 -91.000 TRP 68 1.040 -3.095 1.255 71.945 -99.200 -91.000 TRP6 68 1.020 -2.298 -0.830 72.721 -99.200 -91.000 TYR 69 0.840 -2.539 1.055 63.309 -99.200 -91.000 TYR 85 0.840 -0.060 -3.724 62.712 -99.200 -91.000 TYR 88 0.840 -4.879 0.729 58.652 -99.200 -91.000 PHE 106 1.000 -13.503 -0.726 69.875 -99.200 -91.000 TYR 112 0.840 -13.732 -1.667 58.992 -99.200 -91.000 TYR 116 0.840 -10.033 -8.081 46.691 -99.200 -91.000 PHE 137 1.000 -0.167 -3.671 41.462 -99.200 -91.000 HIS 144 0.900 -1.759 5.857 43.381 -99.200 -91.000 PHE 172 1.000 -3.934 1.717 37.958 -99.200 -91.000 TYR 199 0.840 -4.702 -8.584 31.528 -99.200 -91.000 HIS 210 0.900 13.304 -7.484 20.608 -99.200 -91.000 TRP 214 1.040 8.541 -9.338 26.452 -99.200 -91.000 TRP6 214 1.020 8.299 -11.641 25.976 -99.200 -91.000