============================================================================= 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. TYR 66 0.840 26.435 -40.191 -7.108 -99.200 -91.000 HIS 114 0.900 39.000 -29.913 -3.091 -99.200 -91.000 PHE 118 1.000 37.940 -19.748 -6.820 -99.200 -91.000 HIS 125 0.900 28.844 -21.086 12.335 -99.200 -91.000 HIS 137 0.900 40.030 -16.517 -5.318 -99.200 -91.000 TYR 138 0.840 33.890 -19.077 -3.476 -99.200 -91.000 TYR 140 0.840 29.724 -14.695 4.209 -99.200 -91.000 PHE 161 1.000 14.776 -29.946 9.944 -99.200 -91.000 PHE 163 1.000 22.612 -27.700 2.414 -99.200 -91.000