============================================================================= 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 17 0.840 35.477 32.574 137.771 -99.200 -91.000 PHE 22 1.000 30.789 21.921 130.780 -99.200 -91.000 PHE 29 1.000 29.616 12.505 125.708 -99.200 -91.000 TYR 55 0.840 28.630 3.332 129.172 -99.200 -91.000 HIS 78 0.900 29.984 17.241 142.072 -99.200 -91.000 HIS 81 0.900 22.144 14.661 140.073 -99.200 -91.000 TYR 85 0.840 28.700 6.956 154.994 -99.200 -91.000 PHE 96 1.000 34.386 10.490 141.368 -99.200 -91.000 HIS 105 0.900 13.152 14.433 144.970 -99.200 -91.000 PHE 108 1.000 16.199 21.782 157.293 -99.200 -91.000 HIS 123 0.900 34.085 18.942 155.232 -99.200 -91.000 PHE 153 1.000 20.897 20.862 153.845 -99.200 -91.000 TYR 161 0.840 30.956 22.262 146.467 -99.200 -91.000 HIS 170 0.900 18.114 17.122 137.341 -99.200 -91.000 TYR 173 0.840 10.796 16.862 126.079 -99.200 -91.000 PHE 180 1.000 9.867 33.645 137.463 -99.200 -91.000 HIS 183 0.900 17.413 35.208 137.550 -99.200 -91.000 HIS 200 0.900 22.198 19.665 141.087 -99.200 -91.000 PHE 213 1.000 18.033 14.088 118.713 -99.200 -91.000 HIS 227 0.900 17.342 33.942 127.205 -99.200 -91.000 PHE 252 1.000 29.263 11.025 121.514 -99.200 -91.000 PHE 267 1.000 34.229 -1.636 108.345 -99.200 -91.000 TYR 272 0.840 30.764 5.366 114.130 -99.200 -91.000 PHE 291 1.000 28.331 27.704 132.234 -99.200 -91.000