============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 10 1.000 7.943 19.444 5.615 -99.200 -91.000 HIS 18 0.900 6.881 20.614 11.967 -99.200 -91.000 HIS 26 0.900 0.779 15.811 16.845 -99.200 -91.000 HIS 33 0.900 -4.014 17.003 6.147 -99.200 -91.000 PHE 36 1.000 -1.170 26.969 3.817 -99.200 -91.000 PHE 46 1.000 3.791 19.608 19.379 -99.200 -91.000 TYR 48 0.840 0.765 23.535 18.973 -99.200 -91.000 TRP 59 1.040 -0.135 28.884 11.529 -99.200 -91.000 TRP6 59 1.020 1.847 30.170 11.726 -99.200 -91.000 TYR 67 0.840 6.650 30.124 12.482 -99.200 -91.000 TYR 74 0.840 4.432 35.859 12.561 -99.200 -91.000 PHE 82 1.000 13.996 26.787 9.983 -99.200 -91.000 TYR 97 0.840 5.826 19.568 0.111 -99.200 -91.000