============================================================================= 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. TYR 3 0.840 -7.978 3.889 2.095 -99.200 -91.000 HIS 37 0.900 -12.248 18.481 10.920 -99.200 -91.000 TYR 38 0.840 -7.871 23.264 19.219 -99.200 -91.000 TYR 43 0.840 -13.447 14.818 26.785 -99.200 -91.000 TYR 48 0.840 1.901 22.424 24.855 -99.200 -91.000 PHE 63 1.000 -3.537 25.823 17.953 -99.200 -91.000 HIS 75 0.900 -5.726 5.341 23.943 -99.200 -91.000