============================================================================= 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. TYR 4 0.840 11.211 -2.780 -0.422 -99.200 -91.000 HIS 32 0.900 4.169 -12.490 5.014 -99.200 -91.000 PHE 39 1.000 23.569 -11.132 6.562 -99.200 -91.000 TYR 40 0.840 25.404 -6.117 -0.296 -99.200 -91.000 TYR 53 0.840 27.913 1.492 10.674 -99.200 -91.000 HIS 72 0.900 5.868 -4.475 16.874 -99.200 -91.000 TRP 89 1.040 23.411 -5.413 29.323 -99.200 -91.000 TRP6 89 1.020 23.081 -7.111 27.743 -99.200 -91.000 PHE 101 1.000 3.921 1.172 6.013 -99.200 -91.000 HIS 115 0.900 17.331 7.028 6.132 -99.200 -91.000 TYR 116 0.840 18.299 11.506 7.768 -99.200 -91.000 PHE 123 1.000 25.329 3.793 4.766 -99.200 -91.000 TRP 126 1.040 25.524 -0.012 -4.799 -99.200 -91.000 TRP6 126 1.020 25.014 -1.039 -6.863 -99.200 -91.000 PHE 129 1.000 19.948 -2.083 -8.849 -99.200 -91.000 PHE 137 1.000 13.458 5.900 -3.818 -99.200 -91.000 HIS 148 0.900 23.037 6.007 -15.536 -99.200 -91.000 PHE 152 1.000 25.871 7.069 -3.882 -99.200 -91.000 TRP 158 1.040 30.515 -9.978 7.471 -99.200 -91.000 TRP6 158 1.020 30.840 -7.839 8.395 -99.200 -91.000