============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 20 1.000 17.980 18.823 20.740 -99.200 -91.000 TYR 31 0.840 2.162 4.916 25.227 -99.200 -91.000 TRP 33 1.040 6.538 11.915 23.167 -99.200 -91.000 TRP6 33 1.020 7.801 12.958 24.879 -99.200 -91.000 PHE 38 1.000 14.731 25.031 15.256 -99.200 -91.000 TYR 44 0.840 32.567 22.141 9.723 -99.200 -91.000 TYR 45 0.840 25.655 18.249 12.200 -99.200 -91.000 TYR 49 0.840 12.911 22.109 10.763 -99.200 -91.000 PHE 50 1.000 20.246 18.876 10.801 -99.200 -91.000 PHE 56 1.000 8.861 8.300 24.485 -99.200 -91.000 TYR 60 0.840 9.678 6.414 28.979 -99.200 -91.000 TYR 62 0.840 11.341 -3.391 33.461 -99.200 -91.000 PHE 67 1.000 16.733 10.486 17.903 -99.200 -91.000 PHE 69 1.000 18.839 12.655 13.740 -99.200 -91.000 TRP 74 1.040 28.320 10.655 5.060 -99.200 -91.000 TRP6 74 1.020 27.571 8.703 3.932 -99.200 -91.000 HIS 75 0.900 26.970 11.155 13.518 -99.200 -91.000 TYR 79 0.840 22.421 1.299 12.264 -99.200 -91.000 HIS 90 0.900 18.903 6.962 29.283 -99.200 -91.000 PHE 113 1.000 33.472 -0.259 20.748 -99.200 -91.000 TYR 124 0.840 34.761 12.024 13.141 -99.200 -91.000 TRP 127 1.040 37.003 17.249 9.027 -99.200 -91.000 TRP6 127 1.020 35.892 17.589 11.086 -99.200 -91.000 TYR 137 0.840 31.598 13.415 8.827 -99.200 -91.000