============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. HIS 5 0.900 5.094 2.807 -16.173 -99.200 -91.000 TYR 15 0.840 -14.952 16.037 -24.060 -99.200 -91.000 PHE 18 1.000 -10.215 8.623 -24.483 -99.200 -91.000 TYR 22 0.840 -19.135 10.499 -17.591 -99.200 -91.000 TYR 35 0.840 -22.596 -4.535 -6.732 -99.200 -91.000 TYR 38 0.840 -32.736 -2.528 -5.727 -99.200 -91.000 TYR 41 0.840 -22.383 -3.430 -10.435 -99.200 -91.000 TRP 50 1.040 -8.443 3.285 -2.555 -99.200 -91.000 TRP6 50 1.020 -6.268 3.803 -1.847 -99.200 -91.000 HIS 51 0.900 -8.205 -1.412 -2.820 -99.200 -91.000 TRP 56 1.040 3.383 5.636 -8.360 -99.200 -91.000 TRP6 56 1.020 3.639 7.734 -7.279 -99.200 -91.000 HIS 59 0.900 10.018 5.605 -1.666 -99.200 -91.000 TYR 66 0.840 1.853 3.869 -18.772 -99.200 -91.000 TYR 70 0.840 -8.788 -5.941 -10.395 -99.200 -91.000 PHE 72 1.000 -1.327 -9.155 -16.842 -99.200 -91.000 PHE 76 1.000 -10.163 -10.624 -10.905 -99.200 -91.000 PHE 88 1.000 -11.680 -7.465 -15.059 -99.200 -91.000 PHE 90 1.000 -20.765 -0.838 -14.281 -99.200 -91.000 HIS 95 0.900 -11.039 -3.221 -21.881 -99.200 -91.000 PHE 98 1.000 -17.557 2.378 -25.958 -99.200 -91.000 TRP 100 1.040 -12.097 2.516 -28.720 -99.200 -91.000 TRP6 100 1.020 -11.810 4.350 -27.290 -99.200 -91.000 PHE 107 1.000 -8.833 -2.110 -14.782 -99.200 -91.000 TRP 125 1.040 -9.573 9.588 -16.976 -99.200 -91.000 TRP6 125 1.020 -9.534 9.080 -19.289 -99.200 -91.000 TYR 152 0.840 -0.885 1.479 8.185 -99.200 -91.000 PHE 156 1.000 -0.914 2.953 2.230 -99.200 -91.000 PHE 157 1.000 -3.478 7.425 1.882 -99.200 -91.000 HIS 174 0.900 -13.252 4.689 3.578 -99.200 -91.000 HIS 180 0.900 -19.649 -4.750 0.723 -99.200 -91.000 TYR 186 0.840 -12.173 -3.796 9.564 -99.200 -91.000 TRP 190 1.040 -16.911 4.279 6.207 -99.200 -91.000 TRP6 190 1.020 -16.788 2.830 4.334 -99.200 -91.000 PHE 197 1.000 -17.457 12.456 -3.577 -99.200 -91.000 PHE 201 1.000 -14.720 9.488 6.470 -99.200 -91.000 TYR 202 0.840 -14.429 14.691 5.095 -99.200 -91.000 TRP 210 1.040 -18.362 8.095 15.539 -99.200 -91.000 TRP6 210 1.020 -19.306 6.808 13.787 -99.200 -91.000 TRP 222 1.040 -13.473 3.598 16.565 -99.200 -91.000 TRP6 222 1.020 -13.605 4.358 18.803 -99.200 -91.000 TYR 228 0.840 -25.268 6.535 9.810 -99.200 -91.000 TYR 235 0.840 -13.030 7.350 16.832 -99.200 -91.000 TYR 243 0.840 -4.226 12.470 9.277 -99.200 -91.000 TYR 250 0.840 -11.365 18.676 3.213 -99.200 -91.000 PHE 257 1.000 -15.224 15.696 0.307 -99.200 -91.000 PHE 258 1.000 -18.879 17.837 -4.082 -99.200 -91.000 PHE 261 1.000 -12.709 12.389 -3.910 -99.200 -91.000 PHE 265 1.000 -10.859 9.212 -7.567 -99.200 -91.000 PHE 275 1.000 -0.706 12.395 -18.041 -99.200 -91.000 PHE 283 1.000 -9.678 14.124 -23.301 -99.200 -91.000 PHE 285 1.000 -14.369 12.244 -20.090 -99.200 -91.000