============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 6 1.000 55.514 26.542 72.701 -99.200 -91.000 PHE 11 1.000 62.031 17.590 60.990 -99.200 -91.000 TRP 16 1.040 60.389 17.541 46.357 -99.200 -91.000 TRP6 16 1.020 59.950 18.899 48.254 -99.200 -91.000 PHE 25 1.000 62.987 27.471 59.804 -99.200 -91.000 TYR 27 0.840 62.788 22.591 62.687 -99.200 -91.000 TRP 38 1.040 54.478 16.417 56.644 -99.200 -91.000 TRP6 38 1.020 52.875 14.702 56.319 -99.200 -91.000 HIS 43 0.900 47.544 12.763 56.376 -99.200 -91.000 TYR 55 0.840 45.649 18.231 77.368 -99.200 -91.000 TRP 64 1.040 39.322 17.137 65.691 -99.200 -91.000 TRP6 64 1.020 39.113 19.460 65.333 -99.200 -91.000 HIS 67 0.900 41.868 15.962 76.265 -99.200 -91.000 PHE 71 1.000 42.312 21.417 68.907 -99.200 -91.000 PHE 79 1.000 44.383 21.053 63.715 -99.200 -91.000 HIS 97 0.900 47.820 19.136 46.381 -99.200 -91.000 TYR 101 0.840 31.828 14.474 44.443 -99.200 -91.000 TYR 102 0.840 38.515 12.908 41.537 -99.200 -91.000 TRP 117 1.040 52.595 26.801 48.183 -99.200 -91.000 TRP6 117 1.020 52.550 26.769 45.815 -99.200 -91.000 TYR 118 0.840 55.649 34.732 54.276 -99.200 -91.000 TYR 130 0.840 48.344 29.921 41.036 -99.200 -91.000 HIS 132 0.900 45.381 24.345 32.629 -99.200 -91.000 TRP 148 1.040 56.333 18.823 30.671 -99.200 -91.000 TRP6 148 1.020 54.247 18.187 31.565 -99.200 -91.000 PHE 162 1.000 48.864 33.720 51.301 -99.200 -91.000 TYR 163 0.840 52.838 33.591 44.612 -99.200 -91.000 TYR 164 0.840 43.084 30.385 48.533 -99.200 -91.000 HIS 171 0.900 49.823 22.779 43.094 -99.200 -91.000 TYR 190 0.840 44.327 12.742 42.614 -99.200 -91.000 TYR 193 0.840 58.003 15.910 33.486 -99.200 -91.000 TYR 195 0.840 60.614 18.628 36.522 -99.200 -91.000 HIS 208 0.900 49.318 9.936 41.838 -99.200 -91.000 PHE 209 1.000 48.072 12.192 31.492 -99.200 -91.000 HIS 220 0.900 44.920 28.856 36.630 -99.200 -91.000 TYR 224 0.840 42.480 40.784 43.353 -99.200 -91.000 PHE 240 1.000 50.669 36.907 54.164 -99.200 -91.000 TYR 245 0.840 38.166 24.640 51.568 -99.200 -91.000 PHE 246 1.000 43.926 27.909 53.698 -99.200 -91.000 TYR 249 0.840 44.839 36.533 59.952 -99.200 -91.000 TRP 251 1.040 50.070 37.758 64.352 -99.200 -91.000 TRP6 251 1.020 49.828 36.463 66.316 -99.200 -91.000 PHE 264 1.000 41.844 25.557 65.796 -99.200 -91.000 TYR 278 0.840 50.129 32.028 79.529 -99.200 -91.000 HIS 290 0.900 56.532 25.138 63.248 -99.200 -91.000 PHE 291 1.000 53.110 29.606 69.498 -99.200 -91.000 PHE 299 1.000 48.823 36.075 72.886 -99.200 -91.000 HIS 311 0.900 41.216 32.711 62.006 -99.200 -91.000