============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 12 1.000 -35.017 60.367 41.013 -99.200 -91.000 PHE 16 1.000 -42.287 67.889 45.442 -99.200 -91.000 HIS 30 0.900 -25.048 84.599 67.338 -99.200 -91.000 TRP 32 1.040 -30.592 90.008 74.003 -99.200 -91.000 TRP6 32 1.020 -32.291 88.984 75.261 -99.200 -91.000 PHE 43 1.000 -46.693 74.351 64.806 -99.200 -91.000 TYR 60 0.840 -22.310 83.144 64.707 -99.200 -91.000 HIS 79 0.900 -47.569 76.877 53.141 -99.200 -91.000 PHE 106 1.000 -33.189 96.227 59.043 -99.200 -91.000 TYR 122 0.840 -49.148 99.906 54.058 -99.200 -91.000 PHE 126 1.000 -51.948 99.808 58.220 -99.200 -91.000 PHE 127 1.000 -48.230 96.118 68.003 -99.200 -91.000 TYR 131 0.840 -49.816 107.622 68.960 -99.200 -91.000 TRP 143 1.040 -43.805 101.185 57.115 -99.200 -91.000 TRP6 143 1.020 -45.142 103.140 57.250 -99.200 -91.000 PHE 152 1.000 -40.375 94.915 64.396 -99.200 -91.000 PHE 158 1.000 -39.408 91.747 55.258 -99.200 -91.000 PHE 169 1.000 -27.398 64.280 52.898 -99.200 -91.000 TYR 170 0.840 -34.144 58.761 53.098 -99.200 -91.000 TYR 197 0.840 -35.320 76.906 54.800 -99.200 -91.000 PHE 200 1.000 -38.324 67.786 58.485 -99.200 -91.000 TYR 216 0.840 -54.107 53.033 60.101 -99.200 -91.000 PHE 218 1.000 -56.880 57.976 59.983 -99.200 -91.000 TYR 227 0.840 -34.875 53.933 52.386 -99.200 -91.000 TYR 244 0.840 -30.720 59.990 62.858 -99.200 -91.000 PHE 281 1.000 -41.904 62.509 46.816 -99.200 -91.000 TYR 288 0.840 -36.425 72.559 40.866 -99.200 -91.000 HIS 291 0.900 -30.841 61.980 38.587 -99.200 -91.000 HIS 293 0.900 -23.872 57.283 41.460 -99.200 -91.000 PHE 296 1.000 -21.031 63.558 46.069 -99.200 -91.000