============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TYR 7 0.840 29.025 7.315 3.481 -99.200 -91.000 TYR 18 0.840 28.896 0.858 18.814 -99.200 -91.000 HIS 40 0.900 43.341 3.684 8.307 -99.200 -91.000 TYR 41 0.840 37.521 7.747 10.891 -99.200 -91.000 TRP 43 1.040 36.004 1.974 22.874 -99.200 -91.000 TRP6 43 1.020 33.995 0.880 23.382 -99.200 -91.000 TRP 47 1.040 49.009 -2.792 32.355 -99.200 -91.000 TRP6 47 1.020 50.114 -4.803 31.939 -99.200 -91.000 TYR 54 0.840 46.950 -2.956 22.225 -99.200 -91.000 HIS 59 0.900 40.186 -0.602 12.392 -99.200 -91.000 PHE 60 1.000 32.197 1.595 12.264 -99.200 -91.000 TRP 68 1.040 36.078 -1.326 3.299 -99.200 -91.000 TRP6 68 1.020 37.116 -3.349 2.729 -99.200 -91.000 TYR 98 0.840 33.372 -17.292 1.503 -99.200 -91.000 TYR 102 0.840 27.700 -14.602 -3.333 -99.200 -91.000 TYR 105 0.840 25.064 -4.808 6.168 -99.200 -91.000