============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 34 0.840 62.260 91.596 52.086 -99.200 -91.000 HIS 65 0.900 72.162 83.468 45.718 -99.200 -91.000 TYR 97 0.840 52.585 74.812 36.007 -99.200 -91.000 HIS 98 0.900 44.352 78.526 35.531 -99.200 -91.000 PHE 105 1.000 52.961 66.805 20.663 -99.200 -91.000 TYR 107 0.840 53.460 64.825 27.910 -99.200 -91.000 TYR 109 0.840 43.918 71.762 30.638 -99.200 -91.000 PHE 119 1.000 54.753 70.218 39.943 -99.200 -91.000 PHE 151 1.000 42.067 89.154 39.612 -99.200 -91.000 HIS 163 0.900 35.992 70.888 30.357 -99.200 -91.000 PHE 165 1.000 42.976 71.552 36.410 -99.200 -91.000 HIS 180 0.900 58.003 72.987 36.840 -99.200 -91.000 HIS 183 0.900 58.848 66.814 41.055 -99.200 -91.000 PHE 185 1.000 66.915 73.418 42.677 -99.200 -91.000 PHE 189 1.000 54.082 72.302 47.135 -99.200 -91.000 HIS 204 0.900 39.559 95.740 39.217 -99.200 -91.000 PHE 207 1.000 43.901 91.458 44.511 -99.200 -91.000 PHE 210 1.000 36.092 92.239 51.241 -99.200 -91.000 HIS 231 0.900 60.686 77.247 68.680 -99.200 -91.000