============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TYR 17 0.840 27.732 -26.738 3.010 -99.200 -91.000 PHE 18 1.000 22.789 -32.674 7.182 -99.200 -91.000 TRP 22 1.040 31.985 -18.040 11.650 -99.200 -91.000 TRP6 22 1.020 30.979 -15.894 11.651 -99.200 -91.000 HIS 23 0.900 28.685 -23.038 6.676 -99.200 -91.000 TYR 26 0.840 27.617 -15.795 -3.576 -99.200 -91.000 TRP 46 1.040 17.408 -21.353 13.856 -99.200 -91.000 TRP6 46 1.020 15.496 -19.958 13.933 -99.200 -91.000 PHE 49 1.000 20.273 -10.373 14.309 -99.200 -91.000 PHE 59 1.000 28.819 -7.005 21.272 -99.200 -91.000 TYR 60 0.840 28.763 3.248 25.535 -99.200 -91.000 TRP 63 1.040 24.654 5.258 12.295 -99.200 -91.000 TRP6 63 1.020 22.531 4.690 13.165 -99.200 -91.000 TYR 66 0.840 26.359 -1.722 17.865 -99.200 -91.000 PHE 70 1.000 30.532 -4.233 17.413 -99.200 -91.000 PHE 77 1.000 28.753 -13.016 15.118 -99.200 -91.000 TRP 78 1.040 25.395 -5.331 15.114 -99.200 -91.000 TRP6 78 1.020 23.397 -6.016 16.187 -99.200 -91.000 HIS 85 0.900 17.650 -2.996 4.394 -99.200 -91.000 PHE 102 1.000 27.464 -15.171 33.787 -99.200 -91.000 HIS 106 0.900 21.521 -23.895 27.686 -99.200 -91.000 PHE 108 1.000 12.288 -21.344 22.996 -99.200 -91.000 TYR 111 0.840 9.919 -11.802 19.558 -99.200 -91.000 PHE 114 1.000 15.155 -9.023 13.263 -99.200 -91.000 TYR 123 0.840 21.253 0.716 9.571 -99.200 -91.000 PHE 130 1.000 6.817 -14.297 23.029 -99.200 -91.000 HIS 142 0.900 13.148 -2.378 22.877 -99.200 -91.000 PHE 146 1.000 13.096 6.200 13.319 -99.200 -91.000 PHE 147 1.000 21.114 -0.563 16.444 -99.200 -91.000 PHE 165 1.000 18.616 2.851 30.977 -99.200 -91.000 TRP 169 1.040 17.461 -3.440 22.052 -99.200 -91.000 TRP6 169 1.020 18.557 -5.452 21.477 -99.200 -91.000 TRP 170 1.040 16.268 -2.127 16.133 -99.200 -91.000 TRP6 170 1.020 17.177 -4.236 16.711 -99.200 -91.000 TYR 171 0.840 18.947 1.429 23.833 -99.200 -91.000 HIS 175 0.900 16.707 -1.878 28.525 -99.200 -91.000 TYR 183 0.840 29.678 -11.425 29.294 -99.200 -91.000 HIS 188 0.900 23.037 -5.531 35.846 -99.200 -91.000 PHE 191 1.000 16.067 -0.396 36.534 -99.200 -91.000 TRP 197 1.040 14.108 -11.665 26.905 -99.200 -91.000 TRP6 197 1.020 14.326 -10.966 24.651 -99.200 -91.000 TYR 203 0.840 13.933 -3.406 32.958 -99.200 -91.000 TYR 205 0.840 21.411 -13.367 35.974 -99.200 -91.000 TYR 207 0.840 19.458 -13.920 30.365 -99.200 -91.000