============================================================================= 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. TRP 5 1.040 26.891 20.596 33.943 -99.200 -91.000 TRP6 5 1.020 26.285 21.528 31.849 -99.200 -91.000 TRP 24 1.040 29.350 15.188 29.839 -99.200 -91.000 TRP6 24 1.020 28.536 17.062 31.036 -99.200 -91.000 HIS 34 0.900 33.256 27.985 34.891 -99.200 -91.000 PHE 45 1.000 49.003 13.278 47.032 -99.200 -91.000 PHE 57 1.000 47.810 21.115 36.607 -99.200 -91.000 TYR 69 0.840 41.862 30.653 41.237 -99.200 -91.000 HIS 90 0.900 24.225 10.275 57.602 -99.200 -91.000 HIS 91 0.900 31.560 14.441 61.242 -99.200 -91.000 HIS 114 0.900 27.850 13.391 41.592 -99.200 -91.000 PHE 119 1.000 30.611 16.032 45.020 -99.200 -91.000 HIS 135 0.900 31.064 5.477 35.439 -99.200 -91.000