============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. PHE 33 1.000 -1.275 19.263 31.103 -99.200 -91.000 TYR 36 0.840 -3.411 18.226 41.075 -99.200 -91.000 HIS 41 0.900 5.619 19.253 32.250 -99.200 -91.000 PHE 47 1.000 6.333 28.045 31.118 -99.200 -91.000 TYR 63 0.840 8.853 7.930 31.972 -99.200 -91.000 HIS 78 0.900 12.755 5.271 33.735 -99.200 -91.000 TYR 88 0.840 13.552 20.225 30.369 -99.200 -91.000 TYR 108 0.840 -5.475 17.447 28.293 -99.200 -91.000