============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 18.739 35.488 4.459 -99.200 -91.000 TYR 14 0.840 30.629 39.752 -0.665 -99.200 -91.000 HIS 23 0.900 31.945 24.863 -0.402 -99.200 -91.000 PHE 24 1.000 38.931 23.460 -0.084 -99.200 -91.000 TRP 34 1.040 46.161 38.870 -5.583 -99.200 -91.000 TRP6 34 1.020 47.721 37.415 -4.475 -99.200 -91.000 HIS 40 0.900 39.699 26.941 9.273 -99.200 -91.000 TYR 42 0.840 48.330 24.840 1.966 -99.200 -91.000 HIS 53 0.900 21.843 30.924 -5.190 -99.200 -91.000 PHE 64 1.000 33.206 25.805 -12.203 -99.200 -91.000 HIS 73 0.900 49.800 36.652 9.109 -99.200 -91.000 PHE 76 1.000 46.620 28.749 10.764 -99.200 -91.000 TRP 121 1.040 27.208 27.222 -1.752 -99.200 -91.000 TRP6 121 1.020 28.682 28.931 -2.504 -99.200 -91.000 TYR 131 0.840 28.198 19.779 5.041 -99.200 -91.000 TYR 152 0.840 34.299 30.658 21.890 -99.200 -91.000 PHE 165 1.000 21.901 36.462 15.881 -99.200 -91.000 TRP 193 1.040 38.729 30.461 16.642 -99.200 -91.000 TRP6 193 1.020 38.162 30.065 18.921 -99.200 -91.000 TYR 195 0.840 32.540 22.846 22.385 -99.200 -91.000 TYR 206 0.840 32.526 34.774 12.248 -99.200 -91.000 TYR 212 0.840 45.173 39.612 10.173 -99.200 -91.000 TRP 215 1.040 50.231 39.147 5.313 -99.200 -91.000 TRP6 215 1.020 48.557 37.634 4.560 -99.200 -91.000