============================================================================= 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 3 1.000 4.470 -1.546 -39.947 -99.200 -91.000 TYR 4 0.840 1.924 -5.079 -46.427 -99.200 -91.000 TRP 8 1.040 7.428 2.745 -36.151 -99.200 -91.000 TRP6 8 1.020 8.960 3.491 -37.789 -99.200 -91.000 TYR 17 0.840 5.453 -3.603 -14.591 -99.200 -91.000 HIS 22 0.900 8.364 4.372 -11.212 -99.200 -91.000 PHE 25 1.000 2.834 10.257 -4.532 -99.200 -91.000 PHE 33 1.000 -11.971 3.187 -11.427 -99.200 -91.000 TYR 40 0.840 -5.661 9.664 -21.921 -99.200 -91.000 HIS 42 0.900 0.011 6.237 -25.319 -99.200 -91.000 TYR 44 0.840 -10.059 1.796 -27.508 -99.200 -91.000 PHE 62 1.000 -17.461 5.695 -27.596 -99.200 -91.000 PHE 102 1.000 -25.585 12.239 -15.351 -99.200 -91.000 TRP 105 1.040 -29.251 6.380 -18.544 -99.200 -91.000 TRP6 105 1.020 -29.273 4.218 -17.596 -99.200 -91.000 TRP 112 1.040 -34.101 -5.087 -16.677 -99.200 -91.000 TRP6 112 1.020 -35.609 -5.965 -15.090 -99.200 -91.000 TYR 119 0.840 -26.455 3.021 -10.037 -99.200 -91.000 HIS 120 0.900 -18.396 3.176 -10.322 -99.200 -91.000 PHE 123 1.000 -23.213 13.020 -5.570 -99.200 -91.000 PHE 139 1.000 -29.567 8.404 -9.726 -99.200 -91.000 PHE 147 1.000 -33.700 -2.236 -14.336 -99.200 -91.000 TYR 154 0.840 -17.501 9.317 -11.879 -99.200 -91.000 HIS 156 0.900 -12.176 14.526 -14.263 -99.200 -91.000 PHE 157 1.000 -10.924 16.912 -7.435 -99.200 -91.000 TYR 167 0.840 -13.658 25.729 -10.234 -99.200 -91.000 PHE 168 1.000 -7.927 19.500 -5.395 -99.200 -91.000 TYR 171 0.840 -11.503 17.623 0.128 -99.200 -91.000 PHE 174 1.000 -17.021 13.481 -4.104 -99.200 -91.000 TRP 180 1.040 -26.129 17.482 -0.006 -99.200 -91.000 TRP6 180 1.020 -25.946 18.450 -2.157 -99.200 -91.000 PHE 183 1.000 -31.391 12.922 0.167 -99.200 -91.000 PHE 188 1.000 -14.054 1.577 -5.982 -99.200 -91.000 HIS 190 0.900 -14.452 6.386 -9.077 -99.200 -91.000 PHE 200 1.000 -3.838 19.331 -5.284 -99.200 -91.000 PHE 205 1.000 -12.447 11.077 -1.054 -99.200 -91.000 TYR 215 0.840 -2.248 6.577 -21.673 -99.200 -91.000 PHE 226 1.000 4.564 23.197 -8.218 -99.200 -91.000 PHE 229 1.000 5.866 8.838 -9.660 -99.200 -91.000 HIS 237 0.900 9.944 7.006 -33.922 -99.200 -91.000 HIS 241 0.900 11.789 12.061 -54.452 -99.200 -91.000 TYR 252 0.840 -2.694 20.173 -52.301 -99.200 -91.000 TYR 256 0.840 10.083 26.357 -48.128 -99.200 -91.000 TRP 262 1.040 20.509 18.504 -50.482 -99.200 -91.000 TRP6 262 1.020 20.362 16.788 -52.092 -99.200 -91.000 TYR 270 0.840 -5.259 16.947 -44.547 -99.200 -91.000 TRP 274 1.040 2.586 16.091 -38.418 -99.200 -91.000 TRP6 274 1.020 3.539 15.782 -36.273 -99.200 -91.000 PHE 281 1.000 6.902 20.590 -33.793 -99.200 -91.000 PHE 300 1.000 5.565 15.913 -42.168 -99.200 -91.000 HIS 303 0.900 15.979 23.639 -46.363 -99.200 -91.000 TYR 323 0.840 11.342 13.021 -25.674 -99.200 -91.000 TYR 332 0.840 4.747 25.275 -34.895 -99.200 -91.000 TYR 338 0.840 -4.557 15.494 -20.842 -99.200 -91.000 PHE 346 1.000