============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 14 0.840 54.421 143.395 -0.738 -99.200 -91.000 PHE 38 1.000 57.968 157.195 9.552 -99.200 -91.000 TRP 39 1.040 64.903 153.519 9.681 -99.200 -91.000 TRP6 39 1.020 66.044 153.949 7.653 -99.200 -91.000 PHE 59 1.000 61.779 165.329 8.006 -99.200 -91.000 TYR 67 0.840 63.363 166.834 13.333 -99.200 -91.000 PHE 74 1.000 67.153 154.576 14.691 -99.200 -91.000 TYR 78 0.840 66.194 147.396 10.234 -99.200 -91.000 TRP 88 1.040 66.093 157.797 19.080 -99.200 -91.000 TRP6 88 1.020 64.332 156.536 18.126 -99.200 -91.000 TYR 122 0.840 53.376 143.220 20.478 -99.200 -91.000 TYR 129 0.840 67.337 148.235 24.144 -99.200 -91.000 TYR 140 0.840 59.729 155.514 20.004 -99.200 -91.000 TYR 158 0.840 49.786 146.458 12.275 -99.200 -91.000 TYR 161 0.840 44.352 142.069 -0.568 -99.200 -91.000 PHE 174 1.000 48.724 151.739 9.750 -99.200 -91.000 TYR 182 0.840 38.196 137.472 6.142 -99.200 -91.000 PHE 211 1.000 58.046 117.327 6.448 -99.200 -91.000 PHE 213 1.000 58.591 125.370 13.919 -99.200 -91.000 TYR 227 0.840 65.050 133.937 6.084 -99.200 -91.000 PHE 228 1.000 59.620 127.042 8.798 -99.200 -91.000 PHE 232 1.000 59.774 122.299 10.564 -99.200 -91.000 TYR 252 0.840 77.022 127.060 5.621 -99.200 -91.000 TYR 254 0.840 68.314 124.163 2.581 -99.200 -91.000 PHE 255 1.000 71.838 129.326 -4.388 -99.200 -91.000 PHE 268 1.000 53.649 127.504 5.655 -99.200 -91.000 PHE 270 1.000 50.011 129.749 11.145 -99.200 -91.000 TYR 283 0.840 57.133 127.896 -0.234 -99.200 -91.000 TYR 285 0.840 63.734 136.077 -4.482 -99.200 -91.000 TRP 294 1.040 62.769 125.378 -1.027 -99.200 -91.000 TRP6 294 1.020 63.049 124.480 1.148 -99.200 -91.000 PHE 308 1.000 52.014 132.279 6.267 -99.200 -91.000 HIS 311 0.900 50.103 132.996 -1.782 -99.200 -91.000 TYR 313 0.840 42.432 140.998 5.145 -99.200 -91.000 TYR 316 0.840 50.380 141.331 11.495 -99.200 -91.000 TYR 330 0.840 45.710 136.708 -3.956 -99.200 -91.000