============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. PHE 41 1.000 24.567 -33.662 26.879 -99.200 -91.000 HIS 52 0.900 19.156 -19.167 50.324 -99.200 -91.000 PHE 62 1.000 -1.938 -15.502 52.400 -99.200 -91.000 PHE 77 1.000 -0.693 -8.271 53.007 -99.200 -91.000 PHE 86 1.000 7.651 -22.523 41.967 -99.200 -91.000 PHE 89 1.000 9.534 -24.962 51.642 -99.200 -91.000 HIS 94 0.900 28.148 -26.565 51.638 -99.200 -91.000 HIS 97 0.900 22.117 -33.034 41.549 -99.200 -91.000 HIS 106 0.900 18.008 -25.844 55.785 -99.200 -91.000 PHE 108 1.000 8.238 -21.125 54.167 -99.200 -91.000 PHE 112 1.000 2.368 -14.426 49.323 -99.200 -91.000 TYR 113 0.840 2.828 -16.980 40.379 -99.200 -91.000 TRP 119 1.040 5.223 -9.056 48.558 -99.200 -91.000 TRP6 119 1.020 4.179 -9.990 50.454 -99.200 -91.000 PHE 126 1.000 19.004 -20.614 61.236 -99.200 -91.000 PHE 129 1.000 21.706 -13.317 56.546 -99.200 -91.000 PHE 130 1.000 24.412 -16.569 59.885 -99.200 -91.000 PHE 137 1.000 24.469 -12.242 50.958 -99.200 -91.000 HIS 142 0.900 33.445 -13.691 48.154 -99.200 -91.000 PHE 144 1.000 28.105 -18.315 57.163 -99.200 -91.000 PHE 159 1.000 33.420 -20.200 63.778 -99.200 -91.000 PHE 161 1.000 32.577 -11.661 57.674 -99.200 -91.000 PHE 162 1.000 30.043 -14.927 60.578 -99.200 -91.000 HIS 164 0.900 38.004 -9.366 62.021 -99.200 -91.000 TYR 176 0.840 28.257 -23.526 64.154 -99.200 -91.000 TYR 185 0.840 13.443 -27.636 52.331 -99.200 -91.000 PHE 187 1.000 7.584 -32.581 59.526 -99.200 -91.000 HIS 194 0.900 15.553 -7.992 55.729 -99.200 -91.000 TYR 196 0.840 9.711 -7.302 53.630 -99.200 -91.000 HIS 206 0.900 0.307 1.034 60.851 -99.200 -91.000 TYR 207 0.840 8.978 1.254 59.618 -99.200 -91.000 PHE 210 1.000 4.782 -9.607 55.970 -99.200 -91.000 HIS 211 0.900 6.119 -17.213 63.251 -99.200 -91.000 TRP 212 1.040 5.567 -17.872 55.302 -99.200 -91.000 TRP6 212 1.020 3.409 -17.673 54.388 -99.200 -91.000 TYR 234 0.840 22.111 -37.202 46.622 -99.200 -91.000 HIS 236 0.900 17.242 -34.364 55.330 -99.200 -91.000 PHE 250 1.000 -2.330 -31.863 49.043 -99.200 -91.000 TRP 253 1.040 4.877 -23.395 56.973 -99.200 -91.000 TRP6 253 1.020 4.856 -24.902 55.150 -99.200 -91.000 TYR 256 0.840 0.039 -16.522 63.774 -99.200 -91.000 PHE 268 1.000 10.420 -1.454 70.743 -99.200 -91.000 PHE 270 1.000 14.910 -4.742 69.916 -99.200 -91.000 TRP 279 1.040 10.822 -5.959 65.776 -99.200 -91.000 TRP6 279 1.020 9.056 -5.179 64.430 -99.200 -91.000 PHE 299 1.000 14.820 -29.003 40.479 -99.200 -91.000 PHE 300 1.000 16.658 -25.231 32.836 -99.200 -91.000 PHE 330 1.000 22.070 -3.713 42.269 -99.200 -91.000 TYR 332 0.840 17.391 -11.733 46.871 -99.200 -91.000 TYR 338 0.840 25.870 -14.238 35.172 -99.200 -91.000 HIS 369 0.900 2.287 -10.305 16.997 -99.200 -91.000 TYR 376 0.840 7.365 7.511 21.806 -99.200 -91.000 TYR 392 0.840 8.418 4.224 44.431 -99.200 -91.000 PHE 412 1.000 28.266 -9.104 72.626 -99.200 -91.000 TYR 419 0