============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 3 1.000 11.585 -2.866 -14.905 -99.200 -91.000 TYR 12 0.840 13.553 4.442 -7.590 -99.200 -91.000 PHE 13 1.000 16.252 0.523 -13.286 -99.200 -91.000 TRP 16 1.040 23.166 3.850 -6.824 -99.200 -91.000 TRP6 16 1.020 23.100 3.709 -4.452 -99.200 -91.000 PHE 24 1.000 22.364 -6.241 -3.559 -99.200 -91.000 HIS 26 0.900 11.432 -4.784 -1.749 -99.200 -91.000 TRP 28 1.040 5.070 -7.900 3.237 -99.200 -91.000 TRP6 28 1.020 4.506 -7.666 5.539 -99.200 -91.000 TRP 35 1.040 18.305 -5.122 -1.350 -99.200 -91.000 TRP6 35 1.020 19.134 -7.044 -0.244 -99.200 -91.000 TYR 37 0.840 23.463 1.676 5.708 -99.200 -91.000 TYR 41 0.840 31.780 -3.997 1.834 -99.200 -91.000 TYR 47 0.840 32.184 -7.146 -7.325 -99.200 -91.000 PHE 52 1.000 13.218 -5.971 -7.896 -99.200 -91.000 PHE 57 1.000 5.525 -4.273 -1.248 -99.200 -91.000 TRP 64 1.040 -7.316 -5.421 -7.988 -99.200 -91.000 TRP6 64 1.020 -7.810 -4.911 -5.737 -99.200 -91.000 TYR 69 0.840 7.029 -15.189 -4.364 -99.200 -91.000 PHE 72 1.000 5.428 -10.241 -6.496 -99.200 -91.000 HIS 82 0.900 15.276 -0.559 -19.087 -99.200 -91.000 PHE 93 1.000 15.529 -9.679 4.438 -99.200 -91.000 TYR 103 0.840 15.710 -14.319 -14.120 -99.200 -91.000 HIS 107 0.900 11.732 -15.330 -17.562 -99.200 -91.000 PHE 125 1.000 7.208 -17.610 5.860 -99.200 -91.000 TYR 131 0.840 8.325 -27.959 4.530 -99.200 -91.000 PHE 140 1.000 2.332 -17.386 6.472 -99.200 -91.000 PHE 143 1.000 1.379 -12.858 11.263 -99.200 -91.000 PHE 154 1.000 1.205 -7.250 10.876 -99.200 -91.000 PHE 158 1.000 7.379 -7.787 9.929 -99.200 -91.000 PHE 162 1.000 12.836 -6.761 9.118 -99.200 -91.000 TYR 163 0.840 14.989 -3.901 12.016 -99.200 -91.000 PHE 198 1.000 5.052 -13.193 2.967 -99.200 -91.000 PHE 203 1.000 8.974 -19.467 -3.844 -99.200 -91.000 HIS 218 0.900 16.929 -18.160 7.130 -99.200 -91.000 PHE 227 1.000 19.171 -22.724 9.897 -99.200 -91.000 TYR 246 0.840 25.638 -13.781 8.833 -99.200 -91.000 HIS 251 0.900 13.201 -12.048 8.057 -99.200 -91.000 PHE 253 1.000 20.836 -12.098 7.397 -99.200 -91.000 HIS 257 0.900 24.182 -10.404 12.927 -99.200 -91.000 PHE 268 1.000 28.069 -16.547 -4.142 -99.200 -91.000