============================================================================= 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 8.311 7.494 18.281 -99.200 -91.000 TRP6 14 1.020 7.069 9.376 18.983 -99.200 -91.000 PHE 19 1.000 12.903 -4.008 2.824 -99.200 -91.000 TRP 37 1.040 23.012 11.453 14.108 -99.200 -91.000 TRP6 37 1.020 24.816 9.934 14.025 -99.200 -91.000 HIS 43 0.900 19.211 -7.940 18.989 -99.200 -91.000 TYR 47 0.840 23.821 -12.970 18.694 -99.200 -91.000 TRP 49 1.040 21.806 -16.744 16.341 -99.200 -91.000 TRP6 49 1.020 19.874 -15.500 16.899 -99.200 -91.000 PHE 53 1.000 22.395 -7.835 8.134 -99.200 -91.000 HIS 65 0.900 -1.015 1.531 9.906 -99.200 -91.000 TYR 70 0.840 7.234 2.777 -2.213 -99.200 -91.000 TYR 84 0.840 29.072 6.399 13.797 -99.200 -91.000 HIS 86 0.900 28.762 1.098 24.453 -99.200 -91.000 TYR 89 0.840 26.416 -6.137 20.686 -99.200 -91.000 TRP 91 1.040 29.971 -9.849 19.919 -99.200 -91.000 TRP6 91 1.020 30.945 -11.981 19.584 -99.200 -91.000 PHE 110 1.000 12.080 15.875 11.611 -99.200 -91.000 TYR 113 0.840 1.131 10.383 7.338 -99.200 -91.000 HIS 115 0.900 7.894 15.472 15.360 -99.200 -91.000 TYR 132 0.840 5.663 5.461 37.577 -99.200 -91.000 TRP 139 1.040 5.694 -2.718 10.732 -99.200 -91.000 TRP6 139 1.020 7.256 -0.955 10.901 -99.200 -91.000 PHE 176 1.000 13.504 -0.596 30.380 -99.200 -91.000 TYR 180 0.840 0.229 -6.083 31.802 -99.200 -91.000 PHE 199 1.000 9.149 0.235 27.992 -99.200 -91.000 PHE 205 1.000 7.010 14.777 35.909 -99.200 -91.000 TRP 209 1.040 4.256 10.255 23.028 -99.200 -91.000 TRP6 209 1.020 3.466 8.244 24.004 -99.200 -91.000 TYR 210 0.840 11.352 12.868 27.361 -99.200 -91.000 TRP 217 1.040 18.221 -9.745 26.873 -99.200 -91.000 TRP6 217 1.020 17.729 -11.327 28.546 -99.200 -91.000 TYR 227 0.840 8.310 -10.626 34.205 -99.200 -91.000 PHE 229 1.000 15.270 -9.425 31.089 -99.200 -91.000 TYR 230 0.840 11.531 -3.904 26.484 -99.200 -91.000 HIS 232 0.900 18.398 2.649 32.219 -99.200 -91.000 PHE 234 1.000 20.309 9.216 32.171 -99.200 -91.000 TRP 239 1.040 28.653 4.780 22.179 -99.200 -91.000 TRP6 239 1.020 26.821 4.223 20.768 -99.200 -91.000 PHE 247 1.000 32.414 9.455 14.708 -99.200 -91.000