============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 84 rings ring int. center anis. iso. HIS 10 0.900 -5.990 29.683 69.086 -99.200 -91.000 TRP 11 1.040 -5.091 27.582 59.358 -99.200 -91.000 TRP6 11 1.020 -6.245 25.959 58.090 -99.200 -91.000 PHE 53 1.000 6.781 9.232 45.504 -99.200 -91.000 HIS 59 0.900 7.958 22.539 47.145 -99.200 -91.000 PHE 60 1.000 10.567 15.683 52.637 -99.200 -91.000 HIS 71 0.900 23.753 37.481 63.972 -99.200 -91.000 PHE 78 1.000 6.824 40.249 60.068 -99.200 -91.000 TYR 80 0.840 3.226 51.105 65.867 -99.200 -91.000 PHE 81 1.000 10.811 55.196 64.179 -99.200 -91.000 HIS 85 0.900 10.883 63.044 72.079 -99.200 -91.000 TYR 90 0.840 20.651 66.574 65.701 -99.200 -91.000 PHE 96 1.000 14.877 59.011 61.512 -99.200 -91.000 HIS 98 0.900 4.476 63.225 59.785 -99.200 -91.000 PHE 109 1.000 13.978 40.793 68.627 -99.200 -91.000 PHE 128 1.000 16.094 44.717 68.754 -99.200 -91.000 PHE 132 1.000 13.671 51.343 61.058 -99.200 -91.000 TYR 133 0.840 8.920 46.311 55.182 -99.200 -91.000 TRP 139 1.040 17.601 52.788 58.005 -99.200 -91.000 TRP6 139 1.020 16.749 53.778 59.971 -99.200 -91.000 PHE 149 1.000 31.228 41.750 65.954 -99.200 -91.000 PHE 150 1.000 32.715 39.174 70.258 -99.200 -91.000 PHE 157 1.000 31.842 38.774 60.715 -99.200 -91.000 PHE 160 1.000 34.383 36.847 66.592 -99.200 -91.000 HIS 162 0.900 36.286 30.252 58.776 -99.200 -91.000 HIS 171 0.900 30.398 19.768 62.020 -99.200 -91.000 TRP 179 1.040 38.773 31.350 75.577 -99.200 -91.000 TRP6 179 1.020 38.399 33.572 76.290 -99.200 -91.000 PHE 181 1.000 40.039 36.239 65.941 -99.200 -91.000 TRP 182 1.040 37.433 36.460 71.328 -99.200 -91.000 TRP6 182 1.020 35.811 35.280 72.581 -99.200 -91.000 HIS 190 0.900 34.342 48.494 75.344 -99.200 -91.000 PHE 194 1.000 30.101 46.129 76.809 -99.200 -91.000 PHE 196 1.000 32.985 34.644 77.985 -99.200 -91.000 HIS 205 0.900 15.076 36.622 70.737 -99.200 -91.000 HIS 207 0.900 11.996 41.025 79.848 -99.200 -91.000 TYR 211 0.840 23.091 49.006 72.701 -99.200 -91.000 HIS 214 0.900 29.091 48.955 62.081 -99.200 -91.000 PHE 216 1.000 24.843 53.038 60.898 -99.200 -91.000 TYR 227 0.840 30.990 61.455 61.055 -99.200 -91.000 PHE 230 1.000 20.672 55.384 63.564 -99.200 -91.000 HIS 231 0.900 22.962 54.249 71.995 -99.200 -91.000 TYR 232 0.840 17.583 49.038 68.003 -99.200 -91.000 TYR 256 0.840 12.940 31.253 77.718 -99.200 -91.000 PHE 262 1.000 2.937 32.556 67.658 -99.200 -91.000 TYR 270 0.840 0.185 43.861 70.595 -99.200 -91.000 TRP 273 1.040 13.475 46.789 72.306 -99.200 -91.000 TRP6 273 1.020 11.915 45.166 71.604 -99.200 -91.000 PHE 275 1.000 15.796 54.136 66.460 -99.200 -91.000 TYR 276 0.840 16.438 56.951 74.342 -99.200 -91.000 PHE 282 1.000 31.130 65.580 59.292 -99.200 -91.000 PHE 288 1.000 35.219 59.271 70.922 -99.200 -91.000 PHE 290 1.000 39.589 55.963 73.629 -99.200 -91.000 PHE 293 1.000 34.688 58.176 61.651 -99.200 -91.000 TRP 299 1.040