============================================================================= 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. PHE 5 1.000 46.481 34.337 0.475 -99.200 -91.000 TYR 21 0.840 49.867 26.520 -1.803 -99.200 -91.000 TYR 24 0.840 55.701 24.332 0.236 -99.200 -91.000 TYR 27 0.840 60.472 33.567 4.916 -99.200 -91.000 TRP 30 1.040 52.906 31.188 12.564 -99.200 -91.000 TRP6 30 1.020 54.292 31.224 14.468 -99.200 -91.000 PHE 45 1.000 61.349 37.277 1.954 -99.200 -91.000 HIS 47 0.900 50.313 36.826 1.227 -99.200 -91.000 TYR 51 0.840 48.855 39.762 3.956 -99.200 -91.000 TYR 64 0.840 40.753 40.305 -0.702 -99.200 -91.000 TYR 66 0.840 38.593 37.148 -5.516 -99.200 -91.000 PHE 96 1.000 50.876 30.389 -2.632 -99.200 -91.000 TYR 103 0.840 52.830 22.054 -2.738 -99.200 -91.000 TYR 107 0.840 61.090 22.073 0.534 -99.200 -91.000 TYR 110 0.840 62.072 23.134 6.085 -99.200 -91.000 PHE 113 1.000 65.902 21.798 12.954 -99.200 -91.000