============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TYR 2 0.840 34.354 42.913 11.065 -99.200 -91.000 PHE 13 1.000 30.010 55.369 -2.366 -99.200 -91.000 TYR 17 0.840 37.199 47.074 -0.588 -99.200 -91.000 HIS 32 0.900 38.575 50.119 3.850 -99.200 -91.000 TRP 41 1.040 36.674 65.844 10.209 -99.200 -91.000 TRP6 41 1.020 37.780 63.817 10.674 -99.200 -91.000 PHE 61 1.000 15.291 43.943 15.735 -99.200 -91.000 TRP 70 1.040 33.504 53.694 15.469 -99.200 -91.000 TRP6 70 1.020 35.232 55.216 15.922 -99.200 -91.000 PHE 71 1.000 37.571 48.082 13.313 -99.200 -91.000 PHE 77 1.000 38.021 58.158 11.433 -99.200 -91.000 PHE 91 1.000 20.400 54.761 -11.055 -99.200 -91.000 PHE 93 1.000 12.717 46.609 -7.777 -99.200 -91.000 PHE 108 1.000 10.208 48.805 -3.225 -99.200 -91.000 PHE 109 1.000 6.957 58.681 -0.650 -99.200 -91.000 TRP 110 1.040 4.051 52.871 5.641 -99.200 -91.000 TRP6 110 1.020 2.274 54.313 6.161 -99.200 -91.000 HIS 118 0.900 15.158 54.869 13.928 -99.200 -91.000 HIS 120 0.900 13.700 64.100 9.574 -99.200 -91.000 HIS 126 0.900 20.459 59.984 3.910 -99.200 -91.000 PHE 148 1.000 21.994 57.860 7.827 -99.200 -91.000 TYR 159 0.840 20.219 71.908 8.612 -99.200 -91.000 PHE 162 1.000 22.203 69.534 -0.660 -99.200 -91.000 TYR 168 0.840 16.958 62.322 -5.792 -99.200 -91.000 TRP 173 1.040 21.476 73.962 -2.286 -99.200 -91.000 TRP6 173 1.020 22.964 74.904 -0.711 -99.200 -91.000 TYR 176 0.840 15.726 82.625 -2.120 -99.200 -91.000 HIS 177 0.900 24.183 78.787 -2.737 -99.200 -91.000 TYR 179 0.840 19.398 72.759 3.398 -99.200 -91.000 HIS 180 0.900 14.414 76.996 7.918 -99.200 -91.000 TRP 187 1.040 12.661 69.382 -3.891 -99.200 -91.000 TRP6 187 1.020 11.237 70.807 -5.072 -99.200 -91.000 TYR 194 0.840 8.227 62.627 -12.099 -99.200 -91.000 PHE 203 1.000 11.495 69.314 -10.996 -99.200 -91.000 HIS 205 0.900 19.067 70.567 -17.705 -99.200 -91.000 PHE 215 1.000 5.305 65.644 -19.550 -99.200 -91.000 PHE 216 1.000 3.008 63.418 -12.171 -99.200 -91.000 HIS 226 0.900 -3.309 66.479 -3.498 -99.200 -91.000 TRP 230 1.040 0.739 69.238 0.191 -99.200 -91.000 TRP6 230 1.020 -0.546 67.877 1.616 -99.200 -91.000 PHE 242 1.000 9.117 63.686 7.642 -99.200 -91.000 HIS 248 0.900 -2.331 62.237 -0.815 -99.200 -91.000 TRP 250 1.040 -0.735 56.777 -4.392 -99.200 -91.000 TRP6 250 1.020 1.523 56.338 -3.816 -99.200 -91.000 HIS 264 0.900 4.216 44.271 -6.402 -99.200 -91.000 HIS 266 0.900 9.745 36.340 -2.004 -99.200 -91.000