============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 11 1.000 55.160 -38.414 -25.804 -99.200 -91.000 PHE 28 1.000 60.142 -36.726 -22.722 -99.200 -91.000 TYR 40 0.840 63.254 -42.713 -18.654 -99.200 -91.000 PHE 41 1.000 61.314 -46.205 -22.377 -99.200 -91.000 PHE 44 1.000 66.096 -47.135 -16.826 -99.200 -91.000 PHE 54 1.000 48.313 -36.814 -28.486 -99.200 -91.000 TYR 65 0.840 48.332 -51.824 -33.708 -99.200 -91.000 TRP 75 1.040 52.565 -35.034 -31.773 -99.200 -91.000 TRP6 75 1.020 53.753 -36.924 -30.999 -99.200 -91.000 HIS 77 0.900 49.325 -41.504 -42.011 -99.200 -91.000 TYR 78 0.840 56.285 -39.600 -35.976 -99.200 -91.000 PHE 80 1.000 53.610 -42.490 -29.938 -99.200 -91.000 PHE 91 1.000 48.980 -47.083 -30.411 -99.200 -91.000 PHE 103 1.000 40.342 -56.477 -15.488 -99.200 -91.000 PHE 105 1.000 48.923 -54.242 -11.509 -99.200 -91.000 TYR 115 0.840 40.852 -44.014 -15.337 -99.200 -91.000 HIS 138 0.900 40.024 -44.887 -29.614 -99.200 -91.000 HIS 142 0.900 34.614 -35.787 -28.290 -99.200 -91.000 TYR 144 0.840 26.114 -33.329 -29.847 -99.200 -91.000 HIS 148 0.900 20.498 -26.774 -15.129 -99.200 -91.000 TYR 153 0.840 31.181 -23.002 -22.679 -99.200 -91.000 TYR 158 0.840 36.436 -33.218 -34.548 -99.200 -91.000 HIS 159 0.900 31.259 -34.220 -31.469 -99.200 -91.000 PHE 163 1.000 30.703 -36.397 -19.857 -99.200 -91.000 TRP 176 1.040 31.149 -22.261 -14.166 -99.200 -91.000 TRP6 176 1.020 29.162 -21.359 -13.252 -99.200 -91.000 TRP 189 1.040 32.882 -27.256 -7.812 -99.200 -91.000 TRP6 189 1.020 34.387 -27.736 -9.553 -99.200 -91.000 TYR 194 0.840 21.681 -32.153 -15.102 -99.200 -91.000 TYR 195 0.840 25.974 -30.168 -18.256 -99.200 -91.000 TYR 203 0.840 29.739 -42.895 -20.421 -99.200 -91.000 PHE 221 1.000 34.496 -39.310 -7.233 -99.200 -91.000 TYR 223 0.840 27.265 -31.085 -5.752 -99.200 -91.000 TYR 225 0.840 29.217 -41.132 -4.970 -99.200 -91.000 TYR 227 0.840 22.273 -33.586 -9.916 -99.200 -91.000 TYR 234 0.840 14.280 -49.730 -17.161 -99.200 -91.000 PHE 237 1.000 21.379 -55.070 -11.475 -99.200 -91.000 TYR 247 0.840 28.432 -48.905 -10.773 -99.200 -91.000 HIS 267 0.900 53.620 -59.716 -18.247 -99.200 -91.000