============================================================================= 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 8.425 6.210 18.409 -99.200 -91.000 TRP6 14 1.020 7.115 8.031 19.122 -99.200 -91.000 PHE 19 1.000 12.597 -5.503 3.131 -99.200 -91.000 TRP 37 1.040 22.950 10.197 14.128 -99.200 -91.000 TRP6 37 1.020 24.744 8.694 14.000 -99.200 -91.000 HIS 43 0.900 19.331 -9.430 19.453 -99.200 -91.000 TYR 47 0.840 23.572 -14.452 18.776 -99.200 -91.000 TRP 49 1.040 21.888 -18.302 16.340 -99.200 -91.000 TRP6 49 1.020 19.764 -17.388 16.576 -99.200 -91.000 PHE 53 1.000 22.224 -9.547 8.498 -99.200 -91.000 HIS 65 0.900 -0.900 0.460 10.430 -99.200 -91.000 TYR 70 0.840 7.426 1.666 -1.984 -99.200 -91.000 TYR 84 0.840 29.034 5.009 13.900 -99.200 -91.000 HIS 86 0.900 28.971 0.015 24.507 -99.200 -91.000 TYR 89 0.840 26.316 -7.471 20.810 -99.200 -91.000 TRP 91 1.040 29.938 -11.270 20.227 -99.200 -91.000 TRP6 91 1.020 30.853 -13.408 19.971 -99.200 -91.000 PHE 110 1.000 11.955 14.752 11.634 -99.200 -91.000 TYR 113 0.840 1.078 9.018 7.619 -99.200 -91.000 HIS 115 0.900 7.847 14.305 15.493 -99.200 -91.000 TYR 132 0.840 5.976 4.308 37.851 -99.200 -91.000 TRP 139 1.040 5.450 -4.007 11.115 -99.200 -91.000 TRP6 139 1.020 6.993 -2.249 11.297 -99.200 -91.000 PHE 177 1.000 13.742 -1.388 30.647 -99.200 -91.000 TYR 181 0.840 0.830 -7.379 32.055 -99.200 -91.000 PHE 200 1.000 9.440 -0.701 28.154 -99.200 -91.000 PHE 206 1.000 6.805 14.089 35.745 -99.200 -91.000 TRP 210 1.040 4.211 9.114 23.224 -99.200 -91.000 TRP6 210 1.020 3.458 7.155 24.190 -99.200 -91.000 TYR 211 0.840 11.122 12.059 27.514 -99.200 -91.000 TRP 218 1.040 18.642 -10.983 26.823 -99.200 -91.000 TRP6 218 1.020 17.883 -12.283 28.634 -99.200 -91.000 TYR 228 0.840 8.962 -11.797 34.539 -99.200 -91.000 PHE 230 1.000 15.564 -10.299 31.347 -99.200 -91.000 TYR 231 0.840 11.780 -4.865 26.826 -99.200 -91.000 HIS 233 0.900 18.524 1.904 32.397 -99.200 -91.000 PHE 235 1.000 20.263 8.549 32.209 -99.200 -91.000 TRP 240 1.040 28.679 3.837 22.464 -99.200 -91.000 TRP6 240 1.020 26.989 3.108 21.015 -99.200 -91.000 PHE 248 1.000 32.799 8.331 15.004 -99.200 -91.000