============================================================================= 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. PHE 14 1.000 -12.143 -15.350 33.580 -99.200 -91.000 PHE 21 1.000 -16.371 -16.556 32.471 -99.200 -91.000 TYR 24 0.840 -12.583 -4.656 30.017 -99.200 -91.000 TRP 46 1.040 -6.049 -10.325 28.810 -99.200 -91.000 TRP6 46 1.020 -6.712 -11.566 30.729 -99.200 -91.000 PHE 50 1.000 -0.637 -3.619 31.574 -99.200 -91.000 PHE 52 1.000 1.119 0.233 36.946 -99.200 -91.000 TRP 66 1.040 -13.642 -4.177 35.100 -99.200 -91.000 TRP6 66 1.020 -15.684 -3.231 35.816 -99.200 -91.000 TRP 72 1.040 -25.635 -2.121 32.643 -99.200 -91.000 TRP6 72 1.020 -24.948 -0.006 33.527 -99.200 -91.000 TRP 80 1.040 -5.377 -2.819 47.633 -99.200 -91.000 TRP6 80 1.020 -4.462 -2.938 49.803 -99.200 -91.000 TRP 97 1.040 -2.019 -20.004 37.861 -99.200 -91.000 TRP6 97 1.020 -3.570 -19.130 36.266 -99.200 -91.000 PHE 119 1.000 -16.102 -21.928 43.767 -99.200 -91.000 HIS 120 0.900 -14.846 -16.833 37.938 -99.200 -91.000 HIS 127 0.900 9.817 -7.924 37.855 -99.200 -91.000 PHE 128 1.000 7.711 -2.438 44.332 -99.200 -91.000 TYR 141 0.840 10.708 11.590 50.701 -99.200 -91.000 TRP 142 1.040 13.801 6.889 48.773 -99.200 -91.000 TRP6 142 1.020 11.601 7.411 48.037 -99.200 -91.000