============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 8 1.000 23.934 14.153 29.222 -99.200 -91.000 HIS 12 0.900 20.283 15.892 26.037 -99.200 -91.000 TYR 25 0.840 23.126 24.781 17.729 -99.200 -91.000 PHE 46 1.000 21.831 19.572 20.438 -99.200 -91.000 HIS 48 0.900 26.132 25.380 22.603 -99.200 -91.000 TYR 73 0.840 24.553 14.416 41.927 -99.200 -91.000 TYR 76 0.840 28.788 23.165 43.425 -99.200 -91.000 TYR 92 0.840 9.594 11.668 10.149 -99.200 -91.000 TYR 97 0.840 13.522 20.307 15.984 -99.200 -91.000 HIS 105 0.900 22.787 27.762 38.289 -99.200 -91.000 TYR 115 0.840 26.842 9.162 40.354 -99.200 -91.000 HIS 119 0.900 17.821 9.331 31.717 -99.200 -91.000 PHE 120 1.000 20.670 18.475 29.945 -99.200 -91.000