============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TYR 3 0.840 7.901 27.126 76.089 -99.200 -91.000 HIS 4 0.900 8.777 34.729 79.622 -99.200 -91.000 TRP 9 1.040 5.832 36.997 62.757 -99.200 -91.000 TRP6 9 1.020 6.350 34.696 62.831 -99.200 -91.000 PHE 14 1.000 1.434 36.621 59.422 -99.200 -91.000 PHE 18 1.000 5.715 33.755 58.157 -99.200 -91.000 HIS 20 0.900 4.148 35.777 49.669 -99.200 -91.000 HIS 28 0.900 6.355 15.695 42.827 -99.200 -91.000 TYR 33 0.840 3.152 26.530 46.297 -99.200 -91.000 TYR 46 0.840 -6.654 42.766 52.243 -99.200 -91.000 HIS 58 0.900 -11.568 34.489 43.723 -99.200 -91.000 TYR 80 0.840 10.769 30.595 65.036 -99.200 -91.000 HIS 83 0.900 9.046 26.327 67.676 -99.200 -91.000 PHE 87 1.000 0.740 28.126 63.218 -99.200 -91.000 HIS 91 0.900 -12.436 30.162 54.932 -99.200 -91.000 TRP 99 1.040 -1.767 18.490 50.810 -99.200 -91.000 TRP6 99 1.020 -0.273 17.231 49.480 -99.200 -91.000 TRP 103 1.040 4.095 22.842 55.854 -99.200 -91.000 TRP6 103 1.020 5.960 21.739 54.929 -99.200 -91.000 TRP 110 1.040 11.267 16.654 54.364 -99.200 -91.000 TRP6 110 1.020 10.891 14.621 53.217 -99.200 -91.000 HIS 133 0.900 5.729 13.591 56.905 -99.200 -91.000 HIS 149 0.900 -7.231 6.167 65.883 -99.200 -91.000 TYR 175 0.840 -8.634 19.762 56.681 -99.200 -91.000 PHE 179 1.000 -10.359 25.859 61.189 -99.200 -91.000 TRP 186 1.040 -7.203 30.847 69.249 -99.200 -91.000 TRP6 186 1.020 -9.469 30.862 69.945 -99.200 -91.000 TYR 187 0.840 -5.303 23.078 64.370 -99.200 -91.000 PHE 195 1.000 6.641 18.099 75.527 -99.200 -91.000 TRP 199 1.040 -2.558 21.490 74.044 -99.200 -91.000 TRP6 199 1.020 -0.214 21.821 74.074 -99.200 -91.000 PHE 200 1.000 -9.483 22.780 66.405 -99.200 -91.000 PHE 201 1.000 -7.600 24.135 73.547 -99.200 -91.000 TRP 224 1.040 -1.366 26.353 77.346 -99.200 -91.000 TRP6 224 1.020 -0.250 26.644 75.286 -99.200 -91.000 PHE 230 1.000 3.027 13.137 74.948 -99.200 -91.000 PHE 231 1.000 3.140 13.544 66.794 -99.200 -91.000 HIS 241 0.900 15.280 10.997 65.137 -99.200 -91.000 PHE 242 1.000 11.011 17.059 64.423 -99.200 -91.000 PHE 253 1.000 -4.840 25.141 44.357 -99.200 -91.000 TRP 257 1.040 -3.301 12.817 51.296 -99.200 -91.000 TRP6 257 1.020 -3.052 13.857 53.404 -99.200 -91.000 PHE 264 1.000 -10.617 15.484 42.608 -99.200 -91.000 TYR 276 0.840 -13.549 20.630 41.010 -99.200 -91.000 PHE 284 1.000 -10.260 25.246 43.021 -99.200 -91.000 TYR 288 0.840 -11.447 32.815 52.600 -99.200 -91.000 TRP 289 1.040 -3.977 28.789 54.595 -99.200 -91.000 TRP6 289 1.020 -4.165 27.443 56.531 -99.200 -91.000 TYR 297 0.840 3.812 33.048 73.100 -99.200 -91.000