============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 13 1.000 13.308 19.550 13.299 -99.200 -91.000 TYR 43 0.840 23.592 1.188 8.486 -99.200 -91.000 TYR 62 0.840 13.465 13.495 4.305 -99.200 -91.000 HIS 64 0.900 18.413 13.749 -6.098 -99.200 -91.000 TYR 68 0.840 21.163 5.524 1.276 -99.200 -91.000 TYR 81 0.840 7.195 2.722 8.959 -99.200 -91.000 TYR 92 0.840 8.778 -2.306 5.428 -99.200 -91.000 TYR 96 0.840 1.831 5.421 11.152 -99.200 -91.000 HIS 99 0.900 -3.214 7.983 16.127 -99.200 -91.000 HIS 100 0.900 4.810 8.341 16.170 -99.200 -91.000 TYR 110 0.840 28.443 -1.638 9.589 -99.200 -91.000 TYR 111 0.840 35.336 0.266 12.548 -99.200 -91.000 TYR 118 0.840 20.222 13.200 14.332 -99.200 -91.000 HIS 120 0.900 8.212 10.876 13.659 -99.200 -91.000 PHE 126 1.000 16.647 16.575 1.977 -99.200 -91.000