============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 28 0.840 0.168 -7.266 -1.010 -99.200 -91.000 TRP 30 1.040 -4.743 -4.606 2.098 -99.200 -91.000 TRP6 30 1.020 -6.974 -3.871 2.398 -99.200 -91.000 TYR 36 0.840 -13.263 -3.958 8.576 -99.200 -91.000 TRP 38 1.040 -25.133 -4.962 4.939 -99.200 -91.000 TRP6 38 1.020 -25.988 -3.296 3.488 -99.200 -91.000 HIS 45 0.900 -5.915 6.464 6.747 -99.200 -91.000 TYR 55 0.840 0.796 2.769 -8.284 -99.200 -91.000 PHE 65 1.000 -11.855 1.327 -6.244 -99.200 -91.000 TYR 68 0.840 -11.957 10.426 -0.854 -99.200 -91.000 PHE 72 1.000 -0.109 19.512 1.462 -99.200 -91.000 HIS 89 0.900 -15.726 -1.981 -9.031 -99.200 -91.000 TYR 90 0.840 -9.958 -2.342 -15.180 -99.200 -91.000 TYR 100 0.840 -1.928 8.993 -3.253 -99.200 -91.000 TYR 110 0.840 -20.940 -8.632 3.854 -99.200 -91.000 TYR 114 0.840 -15.748 -12.479 2.640 -99.200 -91.000 TYR 116 0.840 -14.824 -3.581 2.948 -99.200 -91.000 PHE 120 1.000 -3.921 -1.670 -3.795 -99.200 -91.000 PHE 123 1.000 -1.393 0.049 -16.203 -99.200 -91.000