============================================================================= 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 8.522 7.338 18.167 -99.200 -91.000 TRP6 14 1.020 7.359 9.264 18.883 -99.200 -91.000 PHE 19 1.000 12.855 -4.354 2.649 -99.200 -91.000 TRP 37 1.040 23.060 11.213 13.822 -99.200 -91.000 TRP6 37 1.020 24.910 9.749 13.830 -99.200 -91.000 HIS 43 0.900 19.265 -8.064 19.127 -99.200 -91.000 TYR 47 0.840 23.973 -13.293 18.761 -99.200 -91.000 TRP 49 1.040 21.784 -16.702 16.252 -99.200 -91.000 TRP6 49 1.020 19.983 -15.332 16.913 -99.200 -91.000 PHE 53 1.000 22.416 -7.963 8.133 -99.200 -91.000 HIS 65 0.900 -0.894 1.509 10.088 -99.200 -91.000 TYR 70 0.840 7.247 2.676 -2.165 -99.200 -91.000 TYR 84 0.840 29.270 6.039 13.421 -99.200 -91.000 HIS 86 0.900 28.594 1.175 24.230 -99.200 -91.000 TYR 89 0.840 26.438 -6.367 20.763 -99.200 -91.000 TRP 91 1.040 30.163 -10.000 19.870 -99.200 -91.000 TRP6 91 1.020 31.176 -12.110 19.590 -99.200 -91.000 PHE 110 1.000 12.420 15.548 11.392 -99.200 -91.000 TYR 113 0.840 1.323 10.207 7.207 -99.200 -91.000 HIS 115 0.900 8.180 15.434 15.039 -99.200 -91.000 TYR 132 0.840 6.025 5.633 37.504 -99.200 -91.000 TRP 139 1.040 5.579 -2.967 10.862 -99.200 -91.000 TRP6 139 1.020 7.138 -1.197 11.088 -99.200 -91.000 PHE 177 1.000 13.766 -0.747 30.395 -99.200 -91.000 TYR 181 0.840 0.239 -5.895 31.916 -99.200 -91.000 PHE 200 1.000 9.318 0.171 28.016 -99.200 -91.000 PHE 206 1.000 7.168 14.997 35.852 -99.200 -91.000 TRP 210 1.040 4.524 10.098 23.015 -99.200 -91.000 TRP6 210 1.020 3.736 8.077 23.932 -99.200 -91.000 TYR 211 0.840 11.511 12.858 27.211 -99.200 -91.000 TRP 218 1.040 18.377 -9.904 26.925 -99.200 -91.000 TRP6 218 1.020 17.763 -11.446 28.617 -99.200 -91.000 TYR 228 0.840 8.388 -10.712 34.297 -99.200 -91.000 PHE 230 1.000 15.401 -9.445 31.198 -99.200 -91.000 TYR 231 0.840 11.665 -3.960 26.540 -99.200 -91.000 HIS 233 0.900 18.530 2.486 32.238 -99.200 -91.000 PHE 235 1.000 20.514 9.066 31.972 -99.200 -91.000 TRP 240 1.040 28.695 4.630 21.983 -99.200 -91.000 TRP6 240 1.020 26.821 4.010 20.689 -99.200 -91.000 PHE 248 1.000 32.480 9.258 14.057 -99.200 -91.000