============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. PHE 14 1.000 5.872 9.894 11.648 -99.200 -91.000 TYR 17 0.840 7.158 4.155 12.561 -99.200 -91.000 PHE 21 1.000 11.888 3.262 8.321 -99.200 -91.000 TRP 37 1.040 11.812 -0.444 -2.741 -99.200 -91.000 TRP6 37 1.020 12.591 -2.445 -1.738 -99.200 -91.000 HIS 79 0.900 7.485 2.824 25.112 -99.200 -91.000