============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 24 1.000 12.677 40.504 -17.945 -99.200 -91.000 PHE 31 1.000 0.732 41.338 -6.952 -99.200 -91.000 TRP 33 1.040 8.257 39.641 -10.286 -99.200 -91.000 TRP6 33 1.020 9.829 41.337 -10.691 -99.200 -91.000 HIS 38 0.900 24.392 33.503 -16.050 -99.200 -91.000 TYR 45 0.840 28.287 27.818 -5.978 -99.200 -91.000 TYR 50 0.840 23.055 27.253 -9.579 -99.200 -91.000 PHE 56 1.000 7.888 39.938 -5.272 -99.200 -91.000 TYR 60 0.840 6.836 42.962 -1.749 -99.200 -91.000 TYR 62 0.840 4.813 44.662 8.770 -99.200 -91.000 PHE 69 1.000 19.412 28.923 -5.634 -99.200 -91.000 TYR 74 0.840 27.184 19.936 -2.968 -99.200 -91.000 HIS 75 0.900 25.471 28.014 -0.986 -99.200 -91.000 TRP 93 1.040 11.000 41.856 3.976 -99.200 -91.000 TRP6 93 1.020 11.848 41.926 1.771 -99.200 -91.000 TYR 97 0.840 16.940 44.754 2.679 -99.200 -91.000 HIS 122 0.900 28.708 15.838 0.773 -99.200 -91.000 TRP 127 1.040 33.143 26.994 1.682 -99.200 -91.000 TRP6 127 1.020 32.381 27.724 -0.434 -99.200 -91.000 PHE 133 1.000 31.269 23.278 -2.686 -99.200 -91.000 TYR 136 0.840 29.077 15.751 -4.376 -99.200 -91.000 TYR 141 0.840 25.164 23.694 -13.392 -99.200 -91.000