============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 1 1.000 2.765 33.947 17.368 -99.200 -91.000 TYR 8 0.840 -9.778 52.882 23.111 -99.200 -91.000 TYR 13 0.840 -8.677 48.485 34.601 -99.200 -91.000 HIS 14 0.900 -8.105 46.762 26.624 -99.200 -91.000 TYR 24 0.840 9.840 50.557 24.151 -99.200 -91.000 PHE 42 1.000 -4.484 60.986 26.839 -99.200 -91.000 TYR 47 0.840 -8.280 63.475 16.158 -99.200 -91.000 TYR 48 0.840 -7.741 58.619 15.678 -99.200 -91.000 PHE 55 1.000 -5.986 54.369 18.306 -99.200 -91.000 TRP 56 1.040 -8.824 48.419 13.456 -99.200 -91.000 TRP6 56 1.020 -8.536 50.106 11.830 -99.200 -91.000 PHE 83 1.000 2.153 50.304 11.724 -99.200 -91.000 PHE 84 1.000 3.083 54.940 18.065 -99.200 -91.000 TYR 86 0.840 4.993 47.592 24.342 -99.200 -91.000 TYR 89 0.840 4.149 41.342 21.110 -99.200 -91.000 PHE 101 1.000 -0.234 48.680 5.254 -99.200 -91.000 PHE 104 1.000 -4.810 52.550 7.391 -99.200 -91.000 PHE 106 1.000 -12.803 51.803 8.747 -99.200 -91.000 PHE 112 1.000 -11.134 56.669 3.547 -99.200 -91.000 HIS 127 0.900 12.430 56.224 6.851 -99.200 -91.000 PHE 128 1.000 13.894 47.180 2.858 -99.200 -91.000 PHE 129 1.000 5.563 47.421 8.386 -99.200 -91.000 TYR 130 0.840 5.443 53.233 7.544 -99.200 -91.000 PHE 135 1.000 1.761 53.392 2.866 -99.200 -91.000 TYR 147 0.840 -2.879 64.946 8.914 -99.200 -91.000 PHE 149 1.000 1.505 64.783 6.289 -99.200 -91.000 TYR 157 0.840 7.996 56.561 3.114 -99.200 -91.000