============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. PHE 2 1.000 38.892 -10.709 92.079 -99.200 -91.000 TRP 7 1.040 52.554 -6.980 82.028 -99.200 -91.000 TRP6 7 1.020 51.935 -5.401 83.668 -99.200 -91.000 PHE 20 1.000 71.239 -8.236 106.963 -99.200 -91.000 PHE 24 1.000 62.960 -9.793 91.847 -99.200 -91.000 PHE 35 1.000 56.392 3.204 87.330 -99.200 -91.000 TYR 40 0.840 51.315 -1.081 96.232 -99.200 -91.000 TYR 48 0.840 59.462 -20.055 99.191 -99.200 -91.000 TYR 52 0.840 67.282 -17.073 104.557 -99.200 -91.000 TYR 55 0.840 68.787 -16.563 100.264 -99.200 -91.000 PHE 61 1.000 76.822 -5.725 100.021 -99.200 -91.000 TRP 65 1.040 73.953 -11.967 104.557 -99.200 -91.000 TRP6 65 1.020 72.006 -13.060 103.845 -99.200 -91.000 TRP 70 1.040 76.140 -17.613 105.516 -99.200 -91.000 TRP6 70 1.020 75.715 -16.874 103.314 -99.200 -91.000 TYR 84 0.840 58.344 -7.274 97.890 -99.200 -91.000 TYR 88 0.840 63.593 7.913 84.721 -99.200 -91.000 PHE 106 1.000 70.646 -12.971 117.255 -99.200 -91.000 TRP 113 1.040 68.763 -16.622 112.670 -99.200 -91.000 TRP6 113 1.020 68.813 -14.401 111.877 -99.200 -91.000 TYR 125 0.840 59.902 -17.388 94.654 -99.200 -91.000 PHE 127 1.000 67.508 -11.127 99.872 -99.200 -91.000 TYR 139 0.840 47.600 -3.458 92.318 -99.200 -91.000 PHE 142 1.000 54.946 8.409 99.182 -99.200 -91.000 HIS 143 0.900 50.188 8.419 92.939 -99.200 -91.000 TYR 152 0.840 60.789 13.150 98.137 -99.200 -91.000 HIS 167 0.900 57.728 11.946 86.983 -99.200 -91.000 PHE 169 1.000 65.361 17.555 91.490 -99.200 -91.000 TYR 180 0.840 66.399 10.337 99.670 -99.200 -91.000 TRP 181 1.040 67.532 15.929 104.895 -99.200 -91.000 TRP6 181 1.020 69.297 16.925 106.094 -99.200 -91.000 TYR 182 0.840 68.634 5.458 102.689 -99.200 -91.000 PHE 191 1.000 70.161 0.837 98.588 -99.200 -91.000 TYR 192 0.840 69.500 2.483 93.972 -99.200 -91.000 PHE 196 1.000 69.258 9.577 95.331 -99.200 -91.000 PHE 203 1.000 67.940 19.216 87.549 -99.200 -91.000 PHE 206 1.000 68.615 15.747 95.165 -99.200 -91.000 PHE 208 1.000 71.767 11.047 98.939 -99.200 -91.000 HIS 209 0.900 71.957 17.223 103.379 -99.200 -91.000 TRP 221 1.040 79.598 9.378 108.175 -99.200 -91.000 TRP6 221 1.020 79.224 9.119 105.864 -99.200 -91.000 TYR 224 0.840 74.815 16.516 108.258 -99.200 -91.000 PHE 227 1.000 68.234 6.723 117.001 -99.200 -91.000 HIS 229 0.900 64.385 11.275 115.220 -99.200 -91.000 TYR 233 0.840 64.962 20.078 116.113 -99.200 -91.000 TYR 236 0.840 66.416 22.254 105.605 -99.200 -91.000 HIS 240 0.900 62.703 25.775 106.451 -99.200 -91.000 TYR 248 0.840 58.354 18.006 106.853 -99.200 -91.000 TYR 249 0.840 56.100 14.580 99.135 -99.200 -91.000 PHE 271 1.000 51.708 14.866 101.402 -99.200 -91.000 PHE 272 1.000 54.888 5.988 107.255 -99.200 -91.000 PHE 275 1.000 57.979 -0.075 102.221 -99.200 -91.000