============================================================================= 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 8.422 6.187 18.446 -99.200 -91.000 TRP6 14 1.020 7.163 7.981 19.271 -99.200 -91.000 PHE 19 1.000 12.505 -5.509 3.308 -99.200 -91.000 TRP 37 1.040 22.857 10.289 14.178 -99.200 -91.000 TRP6 37 1.020 24.715 8.896 14.168 -99.200 -91.000 HIS 43 0.900 19.137 -9.346 19.313 -99.200 -91.000 TYR 47 0.840 23.663 -14.403 18.704 -99.200 -91.000 TRP 49 1.040 22.269 -18.548 16.275 -99.200 -91.000 TRP6 49 1.020 20.174 -17.595 16.625 -99.200 -91.000 PHE 53 1.000 22.433 -9.238 8.454 -99.200 -91.000 HIS 65 0.900 -1.096 0.537 10.335 -99.200 -91.000 TYR 70 0.840 7.483 1.646 -1.912 -99.200 -91.000 TYR 84 0.840 29.045 5.155 13.890 -99.200 -91.000 HIS 86 0.900 28.954 0.011 24.550 -99.200 -91.000 TYR 89 0.840 26.533 -7.377 20.774 -99.200 -91.000 TRP 91 1.040 29.824 -11.231 20.375 -99.200 -91.000 TRP6 91 1.020 30.774 -13.334 20.045 -99.200 -91.000 PHE 110 1.000 12.035 14.751 11.747 -99.200 -91.000 TYR 113 0.840 1.149 9.257 7.728 -99.200 -91.000 HIS 115 0.900 7.844 14.510 15.338 -99.200 -91.000 TYR 132 0.840 5.784 4.397 37.682 -99.200 -91.000 TRP 139 1.040 5.222 -3.843 11.202 -99.200 -91.000 TRP6 139 1.020 6.806 -2.114 11.241 -99.200 -91.000 PHE 177 1.000 13.584 -1.499 30.710 -99.200 -91.000 TYR 181 0.840 0.400 -7.156 32.120 -99.200 -91.000 PHE 200 1.000 9.250 -0.738 28.138 -99.200 -91.000 PHE 206 1.000 6.986 14.032 35.734 -99.200 -91.000 TRP 210 1.040 4.212 9.122 23.285 -99.200 -91.000 TRP6 210 1.020 3.504 7.215 24.376 -99.200 -91.000 TYR 211 0.840 11.155 11.866 27.662 -99.200 -91.000 TRP 218 1.040 18.433 -10.849 26.971 -99.200 -91.000 TRP6 218 1.020 17.729 -12.277 28.694 -99.200 -91.000 TYR 228 0.840 8.790 -11.913 34.463 -99.200 -91.000 PHE 230 1.000 15.348 -10.494 31.341 -99.200 -91.000 TYR 231 0.840 11.765 -4.784 26.920 -99.200 -91.000 HIS 233 0.900 18.347 1.664 32.355 -99.200 -91.000 PHE 235 1.000 20.200 8.364 32.280 -99.200 -91.000 TRP 240 1.040 28.699 3.951 22.601 -99.200 -91.000 TRP6 240 1.020 27.094 3.154 21.119 -99.200 -91.000 PHE 248 1.000 32.470 8.378 14.955 -99.200 -91.000