============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 5 1.000 31.699 39.699 1.929 -99.200 -91.000 TYR 26 0.840 43.526 37.260 -9.744 -99.200 -91.000 TYR 59 0.840 34.986 10.129 8.686 -99.200 -91.000 HIS 61 0.900 41.906 6.702 11.683 -99.200 -91.000 HIS 62 0.900 43.906 8.324 15.082 -99.200 -91.000 HIS 75 0.900 19.267 8.748 12.898 -99.200 -91.000 HIS 80 0.900 15.797 5.221 3.999 -99.200 -91.000 HIS 86 0.900 32.139 5.106 7.064 -99.200 -91.000 HIS 88 0.900 41.122 3.143 7.552 -99.200 -91.000 HIS 92 0.900 47.924 11.770 9.308 -99.200 -91.000 PHE 105 1.000 12.560 22.947 0.583 -99.200 -91.000 PHE 122 1.000 35.381 17.184 -0.720 -99.200 -91.000