============================================================================= 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 8.375 40.653 18.349 -99.200 -91.000 TRP6 14 1.020 7.095 42.437 19.219 -99.200 -91.000 PHE 19 1.000 12.544 28.741 3.468 -99.200 -91.000 TRP 37 1.040 22.989 44.826 14.276 -99.200 -91.000 TRP6 37 1.020 24.872 43.406 14.216 -99.200 -91.000 HIS 43 0.900 19.383 25.413 19.275 -99.200 -91.000 TYR 47 0.840 23.715 20.238 18.737 -99.200 -91.000 TRP 49 1.040 21.825 16.424 16.178 -99.200 -91.000 TRP6 49 1.020 19.946 17.722 16.790 -99.200 -91.000 PHE 53 1.000 22.632 25.052 8.271 -99.200 -91.000 HIS 65 0.900 -0.838 34.982 10.297 -99.200 -91.000 TYR 70 0.840 7.612 35.950 -2.026 -99.200 -91.000 TYR 84 0.840 29.345 39.516 14.040 -99.200 -91.000 HIS 86 0.900 29.094 34.236 24.604 -99.200 -91.000 TYR 89 0.840 26.629 27.012 20.936 -99.200 -91.000 TRP 91 1.040 29.985 23.174 20.285 -99.200 -91.000 TRP6 91 1.020 30.842 20.990 19.993 -99.200 -91.000 PHE 110 1.000 12.069 49.168 11.642 -99.200 -91.000 TYR 113 0.840 1.061 43.606 7.496 -99.200 -91.000 HIS 115 0.900 7.670 48.985 15.418 -99.200 -91.000 TYR 132 0.840 5.433 38.865 37.848 -99.200 -91.000 TRP 139 1.040 5.546 30.470 11.115 -99.200 -91.000 TRP6 139 1.020 7.169 32.189 11.231 -99.200 -91.000 PHE 177 1.000 13.750 32.588 30.804 -99.200 -91.000 TYR 181 0.840 0.189 27.090 32.134 -99.200 -91.000 PHE 200 1.000 9.151 33.703 28.097 -99.200 -91.000 PHE 206 1.000 6.661 48.601 35.960 -99.200 -91.000 TRP 210 1.040 4.085 43.636 23.195 -99.200 -91.000 TRP6 210 1.020 3.361 41.621 24.192 -99.200 -91.000 TYR 211 0.840 11.100 46.318 27.463 -99.200 -91.000 TRP 218 1.040 18.423 23.544 26.970 -99.200 -91.000 TRP6 218 1.020 17.850 22.114 28.764 -99.200 -91.000 TYR 228 0.840 8.361 22.574 34.447 -99.200 -91.000 PHE 230 1.000 15.492 23.977 31.338 -99.200 -91.000 TYR 231 0.840 11.560 29.413 26.632 -99.200 -91.000 HIS 233 0.900 18.453 36.067 32.428 -99.200 -91.000 PHE 235 1.000 20.093 42.747 32.319 -99.200 -91.000 TRP 240 1.040 29.008 38.319 22.522 -99.200 -91.000 TRP6 240 1.020 27.337 37.518 21.061 -99.200 -91.000 PHE 248 1.000 32.543 43.214 14.923 -99.200 -91.000