============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 74 rings ring int. center anis. iso. PHE 2 1.000 25.876 27.895 39.375 -99.200 -91.000 TRP 8 1.040 23.112 8.900 48.314 -99.200 -91.000 TRP6 8 1.020 23.489 9.795 50.465 -99.200 -91.000 HIS 19 0.900 19.923 23.194 37.136 -99.200 -91.000 HIS 31 0.900 3.524 24.460 48.625 -99.200 -91.000 PHE 48 1.000 14.094 34.400 14.591 -99.200 -91.000 PHE 54 1.000 18.011 23.072 15.889 -99.200 -91.000 TYR 58 0.840 24.054 23.303 13.035 -99.200 -91.000 TYR 59 0.840 24.982 28.319 12.390 -99.200 -91.000 PHE 65 1.000 26.396 32.041 20.220 -99.200 -91.000 HIS 70 0.900 24.679 31.958 15.544 -99.200 -91.000 TYR 87 0.840 12.672 26.826 11.191 -99.200 -91.000 TYR 96 0.840 22.835 20.144 17.303 -99.200 -91.000 HIS 100 0.900 22.736 17.607 20.203 -99.200 -91.000 TRP 102 1.040 18.958 8.071 21.929 -99.200 -91.000 TRP6 102 1.020 20.322 6.745 20.517 -99.200 -91.000 TRP 114 1.040 24.974 11.442 22.621 -99.200 -91.000 TRP6 114 1.020 25.155 13.277 21.143 -99.200 -91.000 PHE 120 1.000 17.986 5.160 7.193 -99.200 -91.000 HIS 129 0.900 0.477 1.761 -1.682 -99.200 -91.000 PHE 132 1.000 4.819 -1.668 3.062 -99.200 -91.000 TYR 134 0.840 11.461 7.690 2.589 -99.200 -91.000 HIS 138 0.900 13.793 2.911 11.137 -99.200 -91.000 TYR 141 0.840 21.133 1.433 8.514 -99.200 -91.000 PHE 155 1.000 7.746 8.568 7.309 -99.200 -91.000 HIS 163 0.900 -3.342 19.714 4.785 -99.200 -91.000 PHE 165 1.000 3.278 13.203 5.497 -99.200 -91.000 TRP 168 1.040 -3.443 6.574 12.393 -99.200 -91.000 TRP6 168 1.020 -5.788 6.510 12.682 -99.200 -91.000 TYR 175 0.840 4.494 -10.648 18.567 -99.200 -91.000 TYR 178 0.840 -6.576 -11.090 17.407 -99.200 -91.000 PHE 194 1.000 -2.644 -0.191 15.454 -99.200 -91.000 TRP 203 1.040 -4.525 -7.431 9.664 -99.200 -91.000 TRP6 203 1.020 -4.229 -8.198 11.889 -99.200 -91.000 PHE 210 1.000 3.718 -14.897 21.291 -99.200 -91.000 PHE 227 1.000 0.500 0.955 2.911 -99.200 -91.000 HIS 241 0.900 16.167 -21.625 31.804 -99.200 -91.000 PHE 244 1.000 14.373 -24.424 34.771 -99.200 -91.000 TRP 246 1.040 10.454 -27.107 32.259 -99.200 -91.000 TRP6 246 1.020 9.815 -24.859 32.614 -99.200 -91.000 PHE 247 1.000 10.821 -20.131 29.331 -99.200 -91.000 TRP 254 1.040 8.913 -9.145 22.356 -99.200 -91.000 TRP6 254 1.020 6.660 -9.302 23.101 -99.200 -91.000 TYR 255 0.840 8.427 -6.791 18.897 -99.200 -91.000 PHE 272 1.000 10.597 17.486 11.644 -99.200 -91.000 PHE 277 1.000 12.161 6.690 19.348 -99.200 -91.000 TRP 280 1.040 21.098 -2.315 21.578 -99.200 -91.000 TRP6 280 1.020 22.378 -0.931 20.149 -99.200 -91.000 TYR 281 0.840 12.696 -5.366 22.683 -99.200 -91.000 TYR 291 0.840 7.977 -13.099 26.977 -99.200 -91.000 TYR 297 0.840 1.911 -11.851 24.797 -99.200 -91.000 TRP 318 1.040 4.827 -18.038 44.292 -99.200 -91.000 TRP6 318 1.020 3.769 -17.472 42.248 -99.200 -91.000 TYR 332 0.840 20.443 -20.480 25.738 -99.200 -91.000 PHE 334 1.000