============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 5 rings ring int. center anis. iso. TYR 10 0.840 71.526 28.363 37.407 -99.200 -91.000 TYR 12 0.840 64.756 33.961 30.004 -99.200 -91.000 HIS 16 0.900 65.245 30.208 27.193 -99.200 -91.000 HIS 19 0.900 70.053 19.489 21.600 -99.200 -91.000 PHE 33 1.000 80.068 34.311 19.957 -99.200 -91.000