============================================================================= 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 20.310 6.953 17.311 -99.200 -91.000 TRP6 14 1.020 21.510 8.863 16.594 -99.200 -91.000 PHE 19 1.000 16.020 -4.858 32.627 -99.200 -91.000 TRP 37 1.040 5.682 10.751 21.606 -99.200 -91.000 TRP6 37 1.020 3.872 9.229 21.575 -99.200 -91.000 HIS 43 0.900 9.500 -8.409 16.485 -99.200 -91.000 TYR 47 0.840 4.392 -13.978 17.014 -99.200 -91.000 TRP 49 1.040 6.357 -17.725 19.450 -99.200 -91.000 TRP6 49 1.020 8.494 -16.810 19.009 -99.200 -91.000 PHE 53 1.000 6.301 -8.608 27.305 -99.200 -91.000 HIS 65 0.900 29.784 1.183 25.725 -99.200 -91.000 TYR 70 0.840 21.489 2.216 37.756 -99.200 -91.000 TYR 84 0.840 -0.344 5.583 22.013 -99.200 -91.000 HIS 86 0.900 -0.079 0.331 11.187 -99.200 -91.000 TYR 89 0.840 2.371 -6.951 14.912 -99.200 -91.000 TRP 91 1.040 -1.469 -10.384 15.739 -99.200 -91.000 TRP6 91 1.020 -2.514 -12.482 16.077 -99.200 -91.000 PHE 110 1.000 16.466 15.178 24.097 -99.200 -91.000 TYR 113 0.840 27.440 9.875 28.380 -99.200 -91.000 HIS 115 0.900 20.721 14.985 20.351 -99.200 -91.000 TYR 132 0.840 22.943 5.009 -1.957 -99.200 -91.000 TRP 139 1.040 23.295 -3.258 24.767 -99.200 -91.000 TRP6 139 1.020 21.702 -1.523 24.574 -99.200 -91.000 PHE 178 1.000 15.055 -1.221 5.112 -99.200 -91.000 TYR 182 0.840 28.550 -6.614 3.812 -99.200 -91.000 PHE 201 1.000 19.431 -0.267 7.559 -99.200 -91.000 PHE 207 1.000 21.495 14.302 -0.392 -99.200 -91.000 TRP 211 1.040 24.387 9.730 12.521 -99.200 -91.000 TRP6 211 1.020 25.184 7.724 11.555 -99.200 -91.000 TYR 212 0.840 17.358 12.350 8.168 -99.200 -91.000 TRP 219 1.040 10.464 -10.418 8.842 -99.200 -91.000 TRP6 219 1.020 11.015 -12.095 7.264 -99.200 -91.000 TYR 229 0.840 20.434 -11.367 1.397 -99.200 -91.000 PHE 231 1.000 13.341 -10.036 4.479 -99.200 -91.000 TYR 232 0.840 17.179 -4.490 9.006 -99.200 -91.000 HIS 234 0.900 10.265 2.027 3.320 -99.200 -91.000 PHE 236 1.000 8.385 8.673 3.367 -99.200 -91.000 TRP 241 1.040 0.072 4.078 13.386 -99.200 -91.000 TRP6 241 1.020 1.864 3.472 14.806 -99.200 -91.000 PHE 249 1.000 -3.740 8.699 21.144 -99.200 -91.000