============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 20 1.000 24.992 4.188 5.132 -99.200 -91.000 TRP 32 1.040 24.843 1.534 -3.580 -99.200 -91.000 TRP6 32 1.020 26.519 0.745 -2.126 -99.200 -91.000 HIS 43 0.900 12.865 16.120 -0.545 -99.200 -91.000 PHE 45 1.000 20.779 10.629 2.571 -99.200 -91.000 HIS 46 0.900 20.744 16.609 7.649 -99.200 -91.000 HIS 48 0.900 18.944 13.909 12.413 -99.200 -91.000 PHE 50 1.000 20.732 10.729 21.111 -99.200 -91.000 HIS 63 0.900 21.725 17.934 11.304 -99.200 -91.000 PHE 64 1.000 28.212 10.651 15.171 -99.200 -91.000 HIS 71 0.900 23.769 21.461 8.807 -99.200 -91.000 HIS 80 0.900 26.398 19.749 12.996 -99.200 -91.000 HIS 110 0.900 34.843 11.486 13.254 -99.200 -91.000 HIS 120 0.900 15.866 16.600 7.995 -99.200 -91.000