============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 8 1.000 -18.207 -22.250 17.306 -99.200 -91.000 TYR 12 0.840 -19.754 -32.034 20.677 -99.200 -91.000 TRP 14 1.040 -9.802 -30.249 24.815 -99.200 -91.000 TRP6 14 1.020 -10.964 -28.671 26.149 -99.200 -91.000 HIS 24 0.900 0.029 -20.519 43.726 -99.200 -91.000 TYR 25 0.840 4.251 -19.953 38.920 -99.200 -91.000 TRP 27 1.040 4.257 -17.145 30.540 -99.200 -91.000 TRP6 27 1.020 5.848 -18.690 31.358 -99.200 -91.000 PHE 49 1.000 -3.964 -11.863 35.874 -99.200 -91.000 HIS 51 0.900 -0.450 -8.003 28.541 -99.200 -91.000 HIS 60 0.900 9.945 2.600 30.540 -99.200 -91.000 PHE 63 1.000 -4.294 3.067 32.622 -99.200 -91.000 TYR 71 0.840 -6.785 -8.294 39.047 -99.200 -91.000 HIS 80 0.900 7.592 -16.823 42.507 -99.200 -91.000 HIS 86 0.900 8.257 -16.698 20.267 -99.200 -91.000 HIS 93 0.900 13.003 -13.036 12.778 -99.200 -91.000 TRP 107 1.040 3.846 -3.325 20.658 -99.200 -91.000 TRP6 107 1.020 2.675 -2.698 22.603 -99.200 -91.000 HIS 110 0.900 7.825 1.698 23.069 -99.200 -91.000 TRP 115 1.040 19.316 -3.241 15.953 -99.200 -91.000 TRP6 115 1.020 18.098 -3.317 13.931 -99.200 -91.000 PHE 116 1.000 21.477 4.447 18.989 -99.200 -91.000 HIS 118 0.900 21.650 -3.734 24.895 -99.200 -91.000 HIS 120 0.900 30.947 -1.794 20.260 -99.200 -91.000 TYR 144 0.840 17.261 -1.590 34.138 -99.200 -91.000 TRP 156 1.040 10.775 -5.776 44.616 -99.200 -91.000 TRP6 156 1.020 11.940 -5.053 42.690 -99.200 -91.000 HIS 165 0.900 11.760 -15.438 38.511 -99.200 -91.000 TRP 167 1.040 12.915 -17.751 33.158 -99.200 -91.000 TRP6 167 1.020 11.119 -18.933 34.117 -99.200 -91.000 TYR 169 0.840 8.665 -21.035 23.689 -99.200 -91.000 PHE 175 1.000 15.613 -28.974 27.078 -99.200 -91.000 TYR 193 0.840 19.844 -3.802 32.092 -99.200 -91.000