============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 45 0.840 66.716 52.662 34.932 -99.200 -91.000 TYR 46 0.840 66.471 57.300 36.892 -99.200 -91.000 PHE 47 1.000 68.218 61.821 33.093 -99.200 -91.000 HIS 85 0.900 52.998 84.022 30.970 -99.200 -91.000 TYR 93 0.840 62.551 83.092 30.586 -99.200 -91.000 TYR 94 0.840 67.987 86.001 39.346 -99.200 -91.000 TYR 96 0.840 65.261 76.178 36.283 -99.200 -91.000 TYR 98 0.840 69.778 75.811 32.410 -99.200 -91.000 TYR 121 0.840 59.246 71.531 25.330 -99.200 -91.000 HIS 126 0.900 55.174 81.098 18.851 -99.200 -91.000 TYR 129 0.840 52.922 85.283 25.430 -99.200 -91.000 PHE 132 1.000 46.504 88.190 28.667 -99.200 -91.000 PHE 142 1.000 48.035 93.577 27.395 -99.200 -91.000 PHE 150 1.000 54.823 90.662 25.367 -99.200 -91.000 TYR 151 0.840 57.188 82.478 24.104 -99.200 -91.000 PHE 152 1.000 60.438 84.055 18.244 -99.200 -91.000 PHE 161 1.000 67.144 87.599 34.045 -99.200 -91.000 PHE 162 1.000 74.731 81.660 28.859 -99.200 -91.000 HIS 170 0.900 84.573 83.937 32.229 -99.200 -91.000 PHE 172 1.000 82.860 94.578 33.870 -99.200 -91.000 TYR 185 0.840 69.985 91.057 37.641 -99.200 -91.000 HIS 188 0.900 65.242 97.604 38.680 -99.200 -91.000 PHE 192 1.000 63.133 97.880 28.868 -99.200 -91.000 HIS 199 0.900 54.370 103.907 27.661 -99.200 -91.000