============================================================================= 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 7.881 27.076 76.257 -99.200 -91.000 HIS 4 0.900 8.797 34.647 79.816 -99.200 -91.000 TRP 9 1.040 5.966 36.915 62.745 -99.200 -91.000 TRP6 9 1.020 6.449 34.587 62.952 -99.200 -91.000 PHE 14 1.000 1.542 36.479 59.433 -99.200 -91.000 PHE 18 1.000 5.830 33.601 58.269 -99.200 -91.000 HIS 20 0.900 4.299 35.455 49.699 -99.200 -91.000 HIS 28 0.900 6.442 15.164 43.169 -99.200 -91.000 TYR 33 0.840 3.306 26.117 46.511 -99.200 -91.000 TYR 46 0.840 -6.242 42.787 51.878 -99.200 -91.000 HIS 58 0.900 -11.338 34.087 43.672 -99.200 -91.000 TYR 80 0.840 10.869 30.525 65.263 -99.200 -91.000 HIS 83 0.900 9.105 26.252 67.923 -99.200 -91.000 PHE 87 1.000 0.805 27.966 63.350 -99.200 -91.000 HIS 91 0.900 -12.366 30.049 54.990 -99.200 -91.000 TRP 99 1.040 -1.661 18.256 51.145 -99.200 -91.000 TRP6 99 1.020 -0.163 16.955 49.840 -99.200 -91.000 TRP 103 1.040 4.119 22.752 56.127 -99.200 -91.000 TRP6 103 1.020 5.994 21.641 55.184 -99.200 -91.000 TRP 110 1.040 11.374 16.535 54.588 -99.200 -91.000 TRP6 110 1.020 11.058 14.546 53.342 -99.200 -91.000 HIS 133 0.900 5.398 13.156 57.167 -99.200 -91.000 HIS 149 0.900 -7.418 6.210 66.226 -99.200 -91.000 TYR 175 0.840 -8.639 19.647 56.874 -99.200 -91.000 PHE 179 1.000 -10.291 25.881 61.302 -99.200 -91.000 TRP 186 1.040 -7.166 30.853 69.357 -99.200 -91.000 TRP6 186 1.020 -9.444 30.918 70.029 -99.200 -91.000 TYR 187 0.840 -5.297 23.045 64.554 -99.200 -91.000 PHE 195 1.000 6.694 17.977 75.682 -99.200 -91.000 TRP 199 1.040 -2.593 21.528 74.309 -99.200 -91.000 TRP6 199 1.020 -0.240 21.779 74.325 -99.200 -91.000 PHE 200 1.000 -9.499 22.762 66.562 -99.200 -91.000 PHE 201 1.000 -7.646 24.107 73.681 -99.200 -91.000 TRP 224 1.040 -1.422 26.357 77.571 -99.200 -91.000 TRP6 224 1.020 -0.249 26.615 75.524 -99.200 -91.000 PHE 230 1.000 3.031 13.131 75.141 -99.200 -91.000 PHE 231 1.000 3.010 13.538 67.011 -99.200 -91.000 HIS 241 0.900 15.217 10.783 65.209 -99.200 -91.000 PHE 242 1.000 10.902 16.918 64.621 -99.200 -91.000 PHE 253 1.000 -5.239 24.473 44.494 -99.200 -91.000 TRP 257 1.040 -3.183 12.634 51.777 -99.200 -91.000 TRP6 257 1.020 -2.964 13.722 53.877 -99.200 -91.000 PHE 264 1.000 -10.563 15.060 42.972 -99.200 -91.000 TYR 276 0.840 -13.485 20.260 41.196 -99.200 -91.000 PHE 284 1.000 -10.276 24.865 43.174 -99.200 -91.000 TYR 288 0.840 -11.363 32.632 52.619 -99.200 -91.000 TRP 289 1.040 -3.917 28.617 54.685 -99.200 -91.000 TRP6 289 1.020 -4.112 27.266 56.639 -99.200 -91.000 TYR 297 0.840 3.812 32.960 73.325 -99.200 -91.000