============================================================================= 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 1.000 149.433 99.009 7.987 -99.200 -91.000 PHE 4 1.000 140.651 97.842 3.727 -99.200 -91.000 TYR 27 0.840 161.499 110.519 -10.189 -99.200 -91.000 TYR 43 0.840 169.376 108.748 -27.549 -99.200 -91.000 TYR 47 0.840 174.694 111.867 -33.434 -99.200 -91.000 TYR 49 0.840 182.074 105.716 -26.930 -99.200 -91.000 HIS 50 0.900 176.097 104.920 -35.018 -99.200 -91.000 PHE 53 1.000 180.613 101.995 -37.745 -99.200 -91.000 TYR 55 0.840 189.280 108.855 -38.409 -99.200 -91.000 PHE 56 1.000 189.492 104.986 -35.182 -99.200 -91.000 PHE 69 1.000 185.908 99.940 -27.568 -99.200 -91.000 PHE 70 1.000 186.208 103.935 -30.644 -99.200 -91.000 HIS 80 0.900 175.550 102.048 -20.745 -99.200 -91.000 TYR 87 0.840 164.713 104.885 -11.776 -99.200 -91.000 PHE 107 1.000 186.567 111.081 -33.673 -99.200 -91.000 HIS 109 0.900 197.304 113.956 -31.590 -99.200 -91.000 HIS 117 0.900 192.866 112.553 -30.689 -99.200 -91.000 HIS 137 0.900 174.781 108.290 -5.309 -99.200 -91.000 PHE 151 1.000 168.077 102.811 -12.565 -99.200 -91.000 TYR 156 0.840 172.736 103.746 -15.741 -99.200 -91.000 TYR 170 0.840 190.261 98.117 -25.023 -99.200 -91.000 HIS 181 0.900 203.898 94.217 -37.152 -99.200 -91.000 TRP 184 1.040 196.947 95.497 -39.320 -99.200 -91.000 TRP6 184 1.020 197.746 93.290 -39.076 -99.200 -91.000 HIS 185 0.900 199.708 91.499 -32.972 -99.200 -91.000 PHE 186 1.000 194.593 97.769 -28.737 -99.200 -91.000 HIS 192 0.900 189.833 88.165 -35.116 -99.200 -91.000