============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 14 0.840 31.739 7.680 14.803 -99.200 -91.000 PHE 38 1.000 27.877 -0.155 -0.233 -99.200 -91.000 TRP 39 1.040 20.901 -0.732 3.136 -99.200 -91.000 TRP6 39 1.020 19.834 1.384 3.008 -99.200 -91.000 PHE 59 1.000 24.091 2.777 -8.099 -99.200 -91.000 TYR 67 0.840 22.538 -2.186 -10.427 -99.200 -91.000 PHE 74 1.000 18.509 -5.409 1.379 -99.200 -91.000 TYR 78 0.840 19.489 -2.084 9.146 -99.200 -91.000 TRP 88 1.040 19.646 -9.245 -2.677 -99.200 -91.000 TRP6 88 1.020 21.425 -8.553 -1.276 -99.200 -91.000 TYR 122 0.840 31.818 -13.499 11.882 -99.200 -91.000 TYR 129 0.840 17.728 -15.422 5.593 -99.200 -91.000 TYR 140 0.840 25.806 -10.725 -0.345 -99.200 -91.000 TYR 158 0.840 35.816 -5.016 9.925 -99.200 -91.000 TYR 161 0.840 41.770 6.718 16.332 -99.200 -91.000 PHE 174 1.000 37.001 -1.718 5.217 -99.200 -91.000 TYR 182 0.840 47.505 -0.912 19.925 -99.200 -91.000 PHE 211 1.000 26.846 -2.946 39.417 -99.200 -91.000 PHE 213 1.000 26.255 -9.123 30.447 -99.200 -91.000 TYR 227 0.840 20.533 0.051 23.001 -99.200 -91.000 PHE 228 1.000 25.593 -3.887 29.571 -99.200 -91.000 PHE 232 1.000 25.100 -6.224 34.020 -99.200 -91.000 TYR 252 0.840 8.657 0.232 30.007 -99.200 -91.000 TYR 254 0.840 17.098 2.387 32.996 -99.200 -91.000 PHE 255 1.000 14.316 10.197 28.740 -99.200 -91.000 PHE 268 1.000 31.686 -1.016 29.623 -99.200 -91.000 PHE 270 1.000 35.150 -6.337 26.741 -99.200 -91.000 TYR 283 0.840 28.519 5.077 29.973 -99.200 -91.000 TYR 285 0.840 22.518 10.728 22.266 -99.200 -91.000 TRP 294 1.040 22.889 5.886 32.456 -99.200 -91.000 TRP6 294 1.020 22.533 3.619 33.062 -99.200 -91.000 PHE 308 1.000 33.460 -1.065 24.815 -99.200 -91.000 HIS 311 0.900 35.907 6.899 25.309 -99.200 -91.000 TYR 313 0.840 43.368 0.832 16.535 -99.200 -91.000 TYR 316 0.840 35.138 -4.959 15.143 -99.200 -91.000 TYR 330 0.840 40.523 9.354 22.088 -99.200 -91.000