============================================================================= 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 7 0.840 30.960 -2.392 80.029 -99.200 -91.000 PHE 10 1.000 35.340 -11.890 74.701 -99.200 -91.000 TRP 18 1.040 40.779 -12.987 70.580 -99.200 -91.000 TRP6 18 1.020 38.459 -12.950 71.063 -99.200 -91.000 PHE 21 1.000 36.887 -14.771 64.842 -99.200 -91.000 PHE 40 1.000 38.375 -4.920 68.158 -99.200 -91.000 TRP 47 1.040 33.943 0.772 75.577 -99.200 -91.000 TRP6 47 1.020 34.015 -1.258 76.797 -99.200 -91.000 PHE 61 1.000 35.786 -5.953 81.167 -99.200 -91.000 TYR 64 0.840 24.816 -8.624 82.892 -99.200 -91.000 PHE 105 1.000 27.866 -7.544 90.645 -99.200 -91.000 PHE 109 1.000 29.085 -21.306 90.659 -99.200 -91.000 TYR 116 0.840 27.195 0.067 81.454 -99.200 -91.000 TYR 117 0.840 24.672 6.471 86.237 -99.200 -91.000 PHE 123 1.000 23.832 8.539 68.375 -99.200 -91.000 PHE 127 1.000 29.253 -0.519 62.696 -99.200 -91.000 PHE 136 1.000 27.643 -6.354 63.911 -99.200 -91.000 HIS 145 0.900 22.645 -15.651 72.924 -99.200 -91.000 PHE 146 1.000 27.911 -13.604 79.310 -99.200 -91.000 PHE 159 1.000 24.940 -13.453 91.370 -99.200 -91.000 TYR 160 0.840 24.181 -14.826 86.584 -99.200 -91.000 PHE 166 1.000 20.192 -11.276 83.627 -99.200 -91.000 TYR 185 0.840 18.116 -24.451 84.379 -99.200 -91.000 PHE 186 1.000 18.767 -21.569 76.327 -99.200 -91.000 HIS 188 0.900 12.599 -13.022 79.753 -99.200 -91.000 HIS 193 0.900 14.535 -17.355 74.016 -99.200 -91.000 HIS 194 0.900 19.299 -17.085 74.549 -99.200 -91.000 PHE 201 1.000 26.455 -27.190 78.100 -99.200 -91.000 HIS 208 0.900 29.227 -23.521 73.517 -99.200 -91.000 HIS 209 0.900 26.929 -19.682 72.422 -99.200 -91.000 PHE 210 1.000 31.821 -13.264 71.333 -99.200 -91.000 PHE 222 1.000 27.772 -11.724 50.763 -99.200 -91.000 PHE 224 1.000 29.035 -21.512 57.003 -99.200 -91.000 HIS 240 0.900 20.173 -22.030 68.544 -99.200 -91.000 HIS 244 0.900 11.095 -20.167 67.072 -99.200 -91.000 PHE 248 1.000 28.607 -18.104 60.963 -99.200 -91.000 TYR 249 0.840 26.360 -21.967 67.969 -99.200 -91.000 TYR 260 0.840 28.136 -12.563 62.163 -99.200 -91.000 TRP 262 1.040 18.257 -12.195 59.577 -99.200 -91.000 TRP6 262 1.020 17.043 -13.826 58.356 -99.200 -91.000 TRP 271 1.040 8.485 -16.593 77.364 -99.200 -91.000 TRP6 271 1.020 9.094 -17.231 75.170 -99.200 -91.000 HIS 276 0.900 12.002 -25.350 73.177 -99.200 -91.000 TRP 282 1.040 15.574 -25.220 59.806 -99.200 -91.000 TRP6 282 1.020 17.250 -23.829 58.863 -99.200 -91.000 HIS 284 0.900 22.079 -24.012 64.909 -99.200 -91.000