============================================================================= 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 -2.853 27.813 15.506 -99.200 -91.000 HIS 12 0.900 5.903 26.464 8.617 -99.200 -91.000 PHE 61 1.000 -17.770 24.247 4.717 -99.200 -91.000 HIS 79 0.900 -25.044 43.510 14.400 -99.200 -91.000 PHE 116 1.000 -7.054 25.206 -3.144 -99.200 -91.000 TYR 158 0.840 -32.230 33.494 -12.244 -99.200 -91.000 TYR 171 0.840 -23.294 21.836 -12.388 -99.200 -91.000 PHE 176 1.000 -7.798 19.707 -6.267 -99.200 -91.000 HIS 181 0.900 -15.113 7.086 5.939 -99.200 -91.000 HIS 218 0.900 -2.090 48.439 -19.778 -99.200 -91.000 TYR 227 0.840 9.107 38.581 -10.512 -99.200 -91.000 HIS 232 0.900 15.490 44.568 -3.037 -99.200 -91.000 PHE 243 1.000 18.387 25.576 -12.354 -99.200 -91.000 TYR 250 0.840 11.646 28.218 -1.254 -99.200 -91.000