============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. HIS 5 0.900 22.342 9.241 36.157 -99.200 -91.000 PHE 24 1.000 20.281 5.235 49.488 -99.200 -91.000 TRP 64 1.040 28.567 6.967 45.476 -99.200 -91.000 TRP6 64 1.020 26.959 5.666 44.360 -99.200 -91.000 TRP 74 1.040 28.399 8.107 26.172 -99.200 -91.000 TRP6 74 1.020 26.102 8.259 25.732 -99.200 -91.000 TYR 75 0.840 24.167 11.388 28.611 -99.200 -91.000 HIS 80 0.900 32.925 17.972 19.456 -99.200 -91.000 TYR 84 0.840 31.748 21.041 15.843 -99.200 -91.000