============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. HIS 21 0.900 128.415 89.880 28.074 -99.200 -91.000 PHE 51 1.000 134.207 68.924 21.485 -99.200 -91.000 HIS 79 0.900 125.031 65.682 26.207 -99.200 -91.000 HIS 85 0.900 136.488 71.266 30.524 -99.200 -91.000 HIS 92 0.900 138.531 74.905 39.413 -99.200 -91.000 TYR 101 0.840 121.625 70.240 24.848 -99.200 -91.000 HIS 104 0.900 125.248 69.548 12.646 -99.200 -91.000 PHE 107 1.000 127.032 73.647 16.600 -99.200 -91.000 TYR 126 0.840 125.242 64.997 14.561 -99.200 -91.000 PHE 137 1.000 128.833 92.919 33.754 -99.200 -91.000