============================================================================= 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. HIS 3 0.900 28.838 -11.401 2.254 -99.200 -91.000 PHE 6 1.000 17.519 -1.040 -3.721 -99.200 -91.000 PHE 28 1.000 21.696 -4.585 -4.937 -99.200 -91.000 TYR 42 0.840 21.776 -3.573 -18.070 -99.200 -91.000 PHE 62 1.000 19.424 3.693 -17.569 -99.200 -91.000 PHE 63 1.000 19.662 8.937 -17.849 -99.200 -91.000 PHE 75 1.000 15.802 6.652 -13.596 -99.200 -91.000 TYR 76 0.840 18.898 12.977 -18.991 -99.200 -91.000 PHE 79 1.000 23.175 10.329 -14.354 -99.200 -91.000 PHE 92 1.000 13.957 7.780 -8.479 -99.200 -91.000 TYR 94 0.840 10.617 6.500 -13.686 -99.200 -91.000 PHE 96 1.000 13.283 0.642 -14.681 -99.200 -91.000 TYR 98 0.840 11.765 1.823 -25.623 -99.200 -91.000 HIS 108 0.900 20.581 3.865 -3.090 -99.200 -91.000 TYR 118 0.840 27.714 10.568 -11.242 -99.200 -91.000 TRP 119 1.040 28.035 2.340 -8.052 -99.200 -91.000 TRP6 119 1.020 28.409 0.335 -9.247 -99.200 -91.000 PHE 121 1.000 23.629 0.539 -6.340 -99.200 -91.000