============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. HIS 17 0.900 55.952 0.060 59.474 -99.200 -91.000 PHE 21 1.000 47.282 11.021 64.563 -99.200 -91.000 TYR 29 0.840 49.812 9.054 85.310 -99.200 -91.000 HIS 40 0.900 55.128 19.336 74.675 -99.200 -91.000 HIS 42 0.900 60.899 19.052 71.387 -99.200 -91.000 HIS 64 0.900 44.823 7.499 70.545 -99.200 -91.000 PHE 65 1.000 53.001 5.326 68.376 -99.200 -91.000 PHE 74 1.000 57.091 7.216 70.362 -99.200 -91.000