============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. TYR 8 0.840 6.777 34.188 -43.041 -99.200 -91.000 HIS 12 0.900 -3.599 33.518 -47.445 -99.200 -91.000 PHE 61 1.000 4.731 26.291 -26.093 -99.200 -91.000 HIS 79 0.900 16.941 43.988 -19.858 -99.200 -91.000 PHE 116 1.000 -7.507 28.488 -31.389 -99.200 -91.000 TYR 158 0.840 -3.054 30.580 -3.807 -99.200 -91.000 TYR 171 0.840 -7.686 20.900 -14.020 -99.200 -91.000 PHE 176 1.000 -9.286 22.499 -30.901 -99.200 -91.000 HIS 181 0.900 1.427 10.102 -33.470 -99.200 -91.000 HIS 218 0.900 -24.466 50.345 -22.305 -99.200 -91.000 TYR 227 0.840 -22.561 43.902 -38.281 -99.200 -91.000 HIS 232 0.900 -17.747 50.815 -48.146 -99.200 -91.000 PHE 243 1.000 -25.870 31.060 -47.657 -99.200 -91.000 TYR 250 0.840 -14.490 35.539 -47.388 -99.200 -91.000