============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. HIS 3 0.900 37.682 21.732 28.365 -99.200 -91.000 PHE 14 1.000 53.021 43.171 24.381 -99.200 -91.000 PHE 39 1.000 52.463 35.226 31.045 -99.200 -91.000 TYR 40 0.840 54.520 27.675 32.698 -99.200 -91.000 TYR 44 0.840 41.497 24.502 26.598 -99.200 -91.000 PHE 51 1.000 33.183 30.133 39.437 -99.200 -91.000 PHE 54 1.000 36.227 29.202 43.471 -99.200 -91.000 TYR 60 0.840 33.492 33.183 45.655 -99.200 -91.000 PHE 67 1.000 26.399 43.049 44.536 -99.200 -91.000 PHE 71 1.000 23.699 45.280 34.424 -99.200 -91.000 PHE 73 1.000 21.762 40.560 23.276 -99.200 -91.000 TRP 82 1.040 23.038 46.046 24.081 -99.200 -91.000 TRP6 82 1.020 23.135 47.899 22.637 -99.200 -91.000 TRP 83 1.040 24.702 44.933 28.095 -99.200 -91.000 TRP6 83 1.020 25.200 42.634 28.329 -99.200 -91.000 TRP 91 1.040 28.263 29.951 39.472 -99.200 -91.000 TRP6 91 1.020 28.798 27.706 38.978 -99.200 -91.000 HIS 93 0.900 20.086 28.719 38.133 -99.200 -91.000 HIS 103 0.900 21.896 23.990 28.044 -99.200 -91.000 HIS 107 0.900 28.782 26.355 25.589 -99.200 -91.000 HIS 111 0.900 25.273 36.232 34.355 -99.200 -91.000 TRP 114 1.040 39.557 42.239 38.970 -99.200 -91.000 TRP6 114 1.020 40.527 42.433 41.108 -99.200 -91.000 TYR 120 0.840 38.878 28.709 38.780 -99.200 -91.000 TRP 123 1.040 40.085 26.130 45.105 -99.200 -91.000 TRP6 123 1.020 39.724 24.966 43.080 -99.200 -91.000 TRP 134 1.040 43.649 38.691 28.122 -99.200 -91.000 TRP6 134 1.020 43.147 39.518 25.981 -99.200 -91.000 TYR 136 0.840 54.575 38.330 24.947 -99.200 -91.000 HIS 143 0.900 55.477 44.750 15.516 -99.200 -91.000 PHE 147 1.000 40.798 40.821 13.573 -99.200 -91.000 TRP 149 1.040 42.683 35.622 12.834 -99.200 -91.000 TRP6 149 1.020 41.232 35.626 14.691 -99.200 -91.000 HIS 159 0.900 32.699 32.935 10.737 -99.200 -91.000 TYR 160 0.840 41.602 31.046 12.031 -99.200 -91.000 TRP 164 1.040 25.185 40.046 16.123 -99.200 -91.000 TRP6 164 1.020 23.777 39.707 17.983 -99.200 -91.000 PHE 168 1.000 24.334 44.225 19.630 -99.200 -91.000 PHE 178 1.000 29.863 27.134 18.728 -99.200 -91.000 PHE 187 1.000 34.760 29.499 16.732 -99.200 -91.000 TYR 192 0.840 52.751 33.564 22.225 -99.200 -91.000 TYR 195 0.840 42.428 25.750 21.748 -99.200 -91.000 TRP 202 1.040 33.603 41.792 26.661 -99.200 -91.000 TRP6 202 1.020 35.252 43.380 26.101 -99.200 -91.000 TRP 204 1.040 36.223 40.052 35.368 -99.200 -91.000 TRP6 204 1.020 35.778 42.360 35.705 -99.200 -91.000 TRP 208 1.040 43.366 49.624 40.669 -99.200 -91.000 TRP6 208 1.020 41.111 49.405 41.329 -99.200 -91.000 TRP 209 1.040 39.517 52.568 32.068 -99.200 -91.000 TRP6 209 1.020 39.513 51.473 29.977 -99.200 -91.000 HIS 212 0.900 44.766 60.347 30.557 -99.200 -91.000 HIS 213 0.900 47.232 53.280 28.380 -99.200 -91.000 TYR 237 0.840 27.437 35.776 23.996 -99.200 -91.000 HIS 239 0.900 28.608 43.225 12.888 -99.200 -91.000 TYR 242 0.840 27.525 46.210 19.347 -99.200 -91.000 TYR 244 0.840 37.522 46.661 14.472 -99.200 -91.000 TYR 246 0.840 35.697 41.841 16.109 -99.200 -91.000 PHE 265 1.000 37.731 33.455 36.025 -99.200 -91.000