============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 6 0.900 2.739 35.668 13.907 -99.200 -91.000 TYR 25 0.840 -2.111 20.352 9.103 -99.200 -91.000 TYR 32 0.840 -4.156 32.890 13.966 -99.200 -91.000 TYR 36 0.840 -7.717 21.585 13.826 -99.200 -91.000 TRP 45 1.040 1.323 24.462 20.079 -99.200 -91.000 TRP6 45 1.020 2.220 25.824 18.359 -99.200 -91.000 TRP 48 1.040 -1.020 36.577 19.814 -99.200 -91.000 TRP6 48 1.020 -1.927 34.904 21.225 -99.200 -91.000 TRP 54 1.040 1.876 42.088 14.754 -99.200 -91.000 TRP6 54 1.020 1.256 40.774 12.892 -99.200 -91.000 PHE 64 1.000 -17.251 34.428 16.497 -99.200 -91.000 TRP 74 1.040 -7.801 16.184 8.669 -99.200 -91.000 TRP6 74 1.020 -6.027 17.355 9.701 -99.200 -91.000 TYR 82 0.840 -17.147 26.696 20.122 -99.200 -91.000 TYR 87 0.840 -18.240 24.981 28.314 -99.200 -91.000 HIS 91 0.900 -12.271 35.817 19.170 -99.200 -91.000 PHE 109 1.000 -13.938 37.933 15.027 -99.200 -91.000 TRP 126 1.040 -8.331 33.942 27.343 -99.200 -91.000 TRP6 126 1.020 -6.568 32.400 27.702 -99.200 -91.000 TYR 132 0.840 -0.153 43.217 32.989 -99.200 -91.000 TYR 144 0.840 8.418 37.530 19.752 -99.200 -91.000 TRP 168 1.040 -2.069 25.742 27.918 -99.200 -91.000 TRP6 168 1.020 -0.480 26.523 26.347 -99.200 -91.000 TRP 205 1.040 -4.143 39.127 34.815 -99.200 -91.000 TRP6 205 1.020 -1.810 38.825 35.044 -99.200 -91.000 TYR 208 0.840 -7.376 31.519 38.540 -99.200 -91.000 TYR 221 0.840 2.011 20.797 24.074 -99.200 -91.000 PHE 223 1.000 4.566 25.741 26.504 -99.200 -91.000