============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. HIS 15 0.900 26.867 -7.132 52.178 -99.200 -91.000 HIS 33 0.900 11.442 3.504 40.184 -99.200 -91.000 TRP 40 1.040 -7.623 3.623 45.436 -99.200 -91.000 TRP6 40 1.020 -9.155 4.867 46.721 -99.200 -91.000 HIS 47 0.900 -8.135 3.372 53.083 -99.200 -91.000 TYR 60 0.840 20.482 -20.933 49.040 -99.200 -91.000 PHE 75 1.000 -2.023 0.653 49.545 -99.200 -91.000