============================================================================= 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 5 0.840 4.321 -22.796 39.617 -99.200 -91.000 HIS 8 0.900 5.418 -24.462 28.484 -99.200 -91.000 HIS 41 0.900 4.754 -5.684 42.885 -99.200 -91.000 PHE 48 1.000 -2.732 -10.778 20.223 -99.200 -91.000 PHE 49 1.000 5.319 -13.134 17.454 -99.200 -91.000 PHE 59 1.000 -5.158 -14.690 26.310 -99.200 -91.000 HIS 64 0.900 -3.039 -3.789 32.563 -99.200 -91.000 PHE 73 1.000 4.829 -7.983 19.150 -99.200 -91.000 TYR 98 0.840 12.985 -8.240 27.450 -99.200 -91.000 HIS 106 0.900 3.435 -17.143 14.551 -99.200 -91.000 PHE 118 1.000 14.916 -22.553 19.970 -99.200 -91.000 HIS 134 0.900 -8.560 -18.640 20.460 -99.200 -91.000 PHE 143 1.000 -17.398 -19.246 33.446 -99.200 -91.000 HIS 156 0.900 -30.925 -33.412 24.329 -99.200 -91.000 TYR 165 0.840 -12.281 -24.982 5.010 -99.200 -91.000 HIS 170 0.900 -13.240 -28.444 13.519 -99.200 -91.000 PHE 179 1.000 -16.362 -31.999 31.374 -99.200 -91.000 PHE 184 1.000 -21.270 -33.886 21.563 -99.200 -91.000 TYR 185 0.840 -28.937 -32.557 19.251 -99.200 -91.000 PHE 186 1.000 -21.977 -32.620 15.686 -99.200 -91.000 TYR 197 0.840 -10.512 -34.581 13.019 -99.200 -91.000 TRP 209 1.040 -22.806 -39.697 16.452 -99.200 -91.000 TRP6 209 1.020 -22.669 -39.720 14.095 -99.200 -91.000 HIS 212 0.900 -30.552 -33.385 12.838 -99.200 -91.000 TYR 232 0.840 -14.139 -16.495 5.015 -99.200 -91.000 PHE 239 1.000 -21.935 -17.287 2.045 -99.200 -91.000 HIS 250 0.900 -36.060 -20.270 14.931 -99.200 -91.000 HIS 260 0.900 -21.142 -16.340 15.991 -99.200 -91.000 HIS 277 0.900 -34.391 -19.042 24.527 -99.200 -91.000 TRP 279 1.040 -25.991 -15.765 28.727 -99.200 -91.000 TRP6 279 1.020 -27.864 -14.876 29.801 -99.200 -91.000 TYR 280 0.840 -26.310 -13.160 20.416 -99.200 -91.000 PHE 281 1.000 -24.046 -9.009 22.458 -99.200 -91.000 PHE 289 1.000 -15.954 -12.765 35.007 -99.200 -91.000