============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.390 6.297 18.676 -99.200 -91.000 TRP6 14 1.020 7.029 8.079 19.465 -99.200 -91.000 PHE 19 1.000 12.868 -5.289 3.282 -99.200 -91.000 TRP 37 1.040 22.839 10.431 14.520 -99.200 -91.000 TRP6 37 1.020 24.672 8.976 14.347 -99.200 -91.000 HIS 43 0.900 19.524 -9.241 19.716 -99.200 -91.000 TYR 47 0.840 23.512 -14.233 19.096 -99.200 -91.000 TRP 49 1.040 21.592 -17.928 16.683 -99.200 -91.000 TRP6 49 1.020 19.857 -16.407 17.155 -99.200 -91.000 PHE 53 1.000 22.413 -9.218 8.699 -99.200 -91.000 HIS 65 0.900 -0.957 0.693 10.507 -99.200 -91.000 TYR 70 0.840 7.416 1.620 -1.943 -99.200 -91.000 TYR 84 0.840 29.338 5.251 14.182 -99.200 -91.000 HIS 86 0.900 28.906 -0.077 25.135 -99.200 -91.000 TYR 89 0.840 26.516 -7.507 21.272 -99.200 -91.000 TRP 91 1.040 29.937 -11.415 20.544 -99.200 -91.000 TRP6 91 1.020 30.796 -13.630 20.378 -99.200 -91.000 PHE 110 1.000 12.098 14.806 11.857 -99.200 -91.000 TYR 113 0.840 1.075 9.423 7.590 -99.200 -91.000 HIS 115 0.900 7.704 14.580 15.752 -99.200 -91.000 TYR 132 0.840 5.457 4.561 38.341 -99.200 -91.000 TRP 139 1.040 5.299 -3.980 11.348 -99.200 -91.000 TRP6 139 1.020 6.910 -2.245 11.461 -99.200 -91.000 PHE 176 1.000 13.511 -1.560 31.186 -99.200 -91.000 TYR 180 0.840 0.084 -7.161 32.468 -99.200 -91.000 PHE 199 1.000 9.084 -0.610 28.658 -99.200 -91.000 PHE 205 1.000 6.744 14.220 36.327 -99.200 -91.000 TRP 209 1.040 4.004 9.386 23.539 -99.200 -91.000 TRP6 209 1.020 3.078 7.464 24.531 -99.200 -91.000 TYR 210 0.840 11.035 12.168 27.898 -99.200 -91.000 TRP 217 1.040 18.085 -10.985 27.347 -99.200 -91.000 TRP6 217 1.020 17.558 -12.469 29.115 -99.200 -91.000 TYR 227 0.840 8.399 -11.911 35.134 -99.200 -91.000 PHE 229 1.000 15.154 -10.632 31.776 -99.200 -91.000 TYR 230 0.840 11.411 -4.928 27.303 -99.200 -91.000 HIS 232 0.900 18.282 1.585 32.907 -99.200 -91.000 PHE 234 1.000 20.135 8.404 32.678 -99.200 -91.000 TRP 239 1.040 28.738 3.800 23.000 -99.200 -91.000 TRP6 239 1.020 26.977 3.177 21.570 -99.200 -91.000 PHE 247 1.000 32.787 8.638 15.460 -99.200 -91.000