============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 23 0.840 8.912 -22.615 8.102 -99.200 -91.000 TYR 36 0.840 -6.085 -37.339 5.829 -99.200 -91.000 TRP 42 1.040 -13.450 -31.702 0.318 -99.200 -91.000 TRP6 42 1.020 -11.635 -30.473 -0.556 -99.200 -91.000 PHE 76 1.000 -14.228 -24.251 6.992 -99.200 -91.000 PHE 98 1.000 -4.991 -14.832 13.268 -99.200 -91.000 PHE 108 1.000 -9.040 -16.356 10.136 -99.200 -91.000 TRP 115 1.040 -16.359 -20.065 3.401 -99.200 -91.000 TRP6 115 1.020 -17.134 -19.999 5.641 -99.200 -91.000 PHE 119 1.000 -17.971 -21.115 -1.210 -99.200 -91.000 TYR 122 0.840 -27.984 -13.331 6.668 -99.200 -91.000 HIS 130 0.900 -19.586 -8.355 8.235 -99.200 -91.000 HIS 131 0.900 -21.790 -8.963 18.062 -99.200 -91.000 TYR 137 0.840 -11.433 -4.842 13.147 -99.200 -91.000 PHE 143 1.000 -13.716 3.437 19.944 -99.200 -91.000 HIS 149 0.900 -15.825 -6.049 9.743 -99.200 -91.000 TYR 166 0.840 -22.232 8.228 26.508 -99.200 -91.000 TRP 168 1.040 -14.375 8.202 18.475 -99.200 -91.000 TRP6 168 1.020 -14.880 7.445 16.285 -99.200 -91.000 TYR 169 0.840 -20.974 12.860 24.173 -99.200 -91.000 HIS 175 0.900 -19.986 21.298 20.667 -99.200 -91.000 TYR 180 0.840 -18.585 11.435 18.683 -99.200 -91.000 TYR 188 0.840 -27.097 -0.776 13.248 -99.200 -91.000 TYR 201 0.840 -33.483 7.719 20.119 -99.200 -91.000 PHE 204 1.000 -24.882 8.646 21.789 -99.200 -91.000 PHE 228 1.000 -31.523 13.627 25.625 -99.200 -91.000 PHE 236 1.000 -32.907 15.814 11.365 -99.200 -91.000 PHE 252 1.000 -36.122 13.786 5.021 -99.200 -91.000 TYR 259 0.840 -34.978 19.910 14.654 -99.200 -91.000 TRP 270 1.040 -25.302 14.065 10.366 -99.200 -91.000 TRP6 270 1.020 -26.950 14.670 11.958 -99.200 -91.000 TYR 281 0.840 -35.998 4.101 5.980 -99.200 -91.000 PHE 282 1.000 -39.395 9.910 5.721 -99.200 -91.000 PHE 301 1.000 -20.762 25.963 -26.151 -99.200 -91.000