============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 8 1.000 39.139 18.741 -30.061 -99.200 -91.000 TYR 12 0.840 39.377 28.098 -29.911 -99.200 -91.000 HIS 24 0.900 29.743 12.952 -19.269 -99.200 -91.000 PHE 31 1.000 39.372 6.342 -35.835 -99.200 -91.000 PHE 38 1.000 39.292 -1.651 -30.375 -99.200 -91.000 TYR 40 0.840 37.779 6.586 -28.370 -99.200 -91.000 TYR 41 0.840 37.019 -0.102 -25.131 -99.200 -91.000 PHE 52 1.000 28.129 -5.287 -31.771 -99.200 -91.000 HIS 67 0.900 35.736 -8.169 -34.646 -99.200 -91.000 PHE 79 1.000 36.214 -1.967 -40.840 -99.200 -91.000 TRP 93 1.040 17.077 -2.915 -38.256 -99.200 -91.000 TRP6 93 1.020 17.751 -1.611 -40.114 -99.200 -91.000 PHE 94 1.000 22.228 -6.716 -32.799 -99.200 -91.000 PHE 102 1.000 15.236 -3.320 -32.573 -99.200 -91.000 TYR 104 0.840 20.120 2.367 -36.891 -99.200 -91.000 TYR 107 0.840 29.975 -1.833 -38.492 -99.200 -91.000 PHE 117 1.000 38.705 4.473 -44.736 -99.200 -91.000 TYR 123 0.840 27.272 6.206 -35.348 -99.200 -91.000 PHE 130 1.000 15.770 7.553 -29.459 -99.200 -91.000 PHE 131 1.000 11.854 0.715 -31.450 -99.200 -91.000