============================================================================= 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. TYR 3 0.840 -9.324 -2.944 25.486 -99.200 -91.000 TRP 30 1.040 -17.786 -4.109 14.867 -99.200 -91.000 TRP6 30 1.020 -15.800 -4.486 16.107 -99.200 -91.000 HIS 47 0.900 6.109 0.785 41.128 -99.200 -91.000 PHE 48 1.000 -0.101 3.265 35.168 -99.200 -91.000 TRP 50 1.040 -4.277 -4.063 36.448 -99.200 -91.000 TRP6 50 1.020 -5.733 -3.093 34.855 -99.200 -91.000 PHE 55 1.000 -4.750 6.362 35.395 -99.200 -91.000 PHE 64 1.000 -4.974 3.007 24.989 -99.200 -91.000 HIS 65 0.900 1.966 4.874 22.837 -99.200 -91.000 PHE 87 1.000 5.095 13.309 39.785 -99.200 -91.000 HIS 88 0.900 9.927 6.722 40.641 -99.200 -91.000 PHE 106 1.000 -10.548 -4.556 37.759 -99.200 -91.000