============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. PHE 4 1.000 21.821 49.348 14.539 -99.200 -91.000 PHE 11 1.000 17.494 44.169 15.041 -99.200 -91.000 PHE 17 1.000 13.169 52.235 29.826 -99.200 -91.000 TYR 29 0.840 37.285 34.849 47.585 -99.200 -91.000 HIS 46 0.900 46.367 24.912 52.208 -99.200 -91.000 TYR 56 0.840 49.047 39.473 64.542 -99.200 -91.000 TYR 70 0.840 44.344 60.732 66.134 -99.200 -91.000 PHE 80 1.000 46.559 65.486 57.072 -99.200 -91.000 TYR 81 0.840 49.534 59.277 60.987 -99.200 -91.000 TYR 85 0.840 43.832 53.693 64.202 -99.200 -91.000 HIS 91 0.900 46.479 49.841 54.082 -99.200 -91.000 PHE 105 1.000 51.350 55.055 39.332 -99.200 -91.000 TYR 108 0.840 43.813 60.039 51.505 -99.200 -91.000 TYR 116 0.840 54.144 41.849 52.577 -99.200 -91.000 TYR 119 0.840 59.316 54.439 53.137 -99.200 -91.000 PHE 124 1.000 56.095 53.796 56.737 -99.200 -91.000 TYR 129 0.840 58.305 64.363 63.848 -99.200 -91.000 HIS 144 0.900 50.165 64.054 51.080 -99.200 -91.000 TYR 145 0.840 54.073 57.891 54.696 -99.200 -91.000 HIS 151 0.900 60.403 48.864 41.910 -99.200 -91.000 PHE 152 1.000 53.388 53.585 48.311 -99.200 -91.000 TYR 171 0.840 50.314 51.423 25.482 -99.200 -91.000 TYR 185 0.840 46.792 49.428 46.808 -99.200 -91.000 PHE 186 1.000 40.111 53.174 42.555 -99.200 -91.000 HIS 197 0.900 33.801 57.620 32.123 -99.200 -91.000 PHE 200 1.000 37.616 52.155 37.344 -99.200 -91.000 PHE 202 1.000 42.406 57.379 28.039 -99.200 -91.000 PHE 212 1.000 41.985 50.539 36.804 -99.200 -91.000 PHE 213 1.000 42.719 46.218 47.006 -99.200 -91.000 TYR 219 0.840 30.385 56.923 57.097 -99.200 -91.000 TYR 229 0.840 28.546 53.752 45.984 -99.200 -91.000 TYR 241 0.840 34.216 52.376 33.052 -99.200 -91.000 PHE 254 1.000 44.948 33.719 55.423 -99.200 -91.000 TYR 257 0.840 48.368 35.639 48.767 -99.200 -91.000 PHE 274 1.000 41.835 40.328 35.784 -99.200 -91.000 TYR 281 0.840 32.631 51.729 59.897 -99.200 -91.000 HIS 285 0.900 38.175 60.774 65.086 -99.200 -91.000 HIS 286 0.900 39.309 62.114 55.390 -99.200 -91.000 TYR 295 0.840 31.782 62.016 59.660 -99.200 -91.000 HIS 297 0.900 41.219 45.810 63.321 -99.200 -91.000 HIS 304 0.900 39.870 35.862 67.050 -99.200 -91.000 TYR 305 0.840 45.230 30.791 59.373 -99.200 -91.000 TRP 311 1.040 51.392 28.450 62.363 -99.200 -91.000 TRP6 311 1.020 50.790 29.121 60.158 -99.200 -91.000 TRP 312 1.040 50.617 36.215 68.082 -99.200 -91.000 TRP6 312 1.020 52.811 36.841 67.429 -99.200 -91.000 TRP 320 1.040 54.444 42.386 66.753 -99.200 -91.000 TRP6 320 1.020 56.505 43.025 65.795 -99.200 -91.000 PHE 332 1.000 57.181 60.598 68.312 -99.200 -91.000 PHE 347 1.000 64.119 79.619 46.409 -99.200 -91.000 TYR 351 0.840 60.577 74.758 35.281 -99.200 -91.000 HIS 368 0.900 63.849 88.933 53.960 -99.200 -91.000 TYR 372 0.840 65.119 92.606 56.669 -99.200 -91.000 HIS 375 0.900 62.848 90.007 62.744 -99.200 -91.000 TYR 376 0.84