============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 9 1.000 -46.268 -35.034 -37.584 -99.200 -91.000 HIS 16 0.900 -38.390 -31.805 -23.127 -99.200 -91.000 TYR 28 0.840 -45.157 -31.309 -41.054 -99.200 -91.000 PHE 33 1.000 -48.019 -34.731 -25.097 -99.200 -91.000 HIS 34 0.900 -53.520 -39.475 -26.210 -99.200 -91.000 HIS 51 0.900 -51.269 -38.265 -43.296 -99.200 -91.000 PHE 52 1.000 -45.063 -38.258 -40.710 -99.200 -91.000 HIS 60 0.900 -44.782 -53.973 -26.774 -99.200 -91.000 PHE 78 1.000 -40.354 -38.564 -30.842 -99.200 -91.000 PHE 98 1.000 -36.573 -41.592 -40.095 -99.200 -91.000 PHE 102 1.000 -24.541 -43.148 -31.002 -99.200 -91.000 HIS 131 0.900 -32.487 -42.502 5.080 -99.200 -91.000 TRP 135 1.040 -23.391 -40.660 14.199 -99.200 -91.000 TRP6 135 1.020 -24.584 -38.849 13.259 -99.200 -91.000 PHE 143 1.000 -9.065 -43.664 0.866 -99.200 -91.000 TYR 155 0.840 -10.978 -42.183 -23.993 -99.200 -91.000 HIS 157 0.900 -20.400 -41.986 -29.752 -99.200 -91.000 TYR 171 0.840 -3.266 -37.879 -10.954 -99.200 -91.000 TYR 173 0.840 -3.689 -43.791 -15.559 -99.200 -91.000 PHE 174 1.000 -8.042 -44.341 -23.528 -99.200 -91.000 TYR 175 0.840 -8.545 -53.439 -22.696 -99.200 -91.000 HIS 191 0.900 -0.642 -56.252 -22.128 -99.200 -91.000 HIS 204 0.900 -18.943 -45.606 -19.052 -99.200 -91.000 HIS 248 0.900 -9.856 -57.541 -4.748 -99.200 -91.000 PHE 257 1.000 -29.354 -54.112 -11.788 -99.200 -91.000 PHE 268 1.000 -33.146 -54.894 -8.893 -99.200 -91.000 PHE 275 1.000 -23.081 -57.783 -1.055 -99.200 -91.000 HIS 283 0.900 -31.083 -49.951 -18.895 -99.200 -91.000 TYR 306 0.840 -40.207 -40.639 -45.023 -99.200 -91.000 PHE 318 1.000 -38.072 -46.905 -46.209 -99.200 -91.000 HIS 326 0.900 -29.100 -28.492 -55.104 -99.200 -91.000 HIS 332 0.900 -41.843 -46.070 -57.433 -99.200 -91.000 HIS 334 0.900 -38.158 -49.090 -56.312 -99.200 -91.000 PHE 348 1.000 -40.175 -38.263 -63.754 -99.200 -91.000 TYR 359 0.840 -28.622 -41.196 -52.279 -99.200 -91.000 TYR 367 0.840 -36.995 -43.211 -50.154 -99.200 -91.000 TYR 398 0.840 -39.079 -30.245 -52.654 -99.200 -91.000