============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 25 1.000 33.783 9.657 32.721 -99.200 -91.000 TYR 44 0.840 40.841 31.902 18.349 -99.200 -91.000 TYR 51 0.840 25.671 30.937 20.368 -99.200 -91.000 PHE 62 1.000 11.987 43.286 15.494 -99.200 -91.000 PHE 63 1.000 12.320 45.630 19.824 -99.200 -91.000 PHE 68 1.000 9.762 50.274 19.439 -99.200 -91.000 TYR 81 0.840 15.263 55.727 40.085 -99.200 -91.000 PHE 95 1.000 22.129 39.813 43.909 -99.200 -91.000 PHE 101 1.000 23.062 55.215 44.009 -99.200 -91.000 TYR 112 0.840 6.682 53.926 34.890 -99.200 -91.000 TYR 114 0.840 16.791 57.960 29.105 -99.200 -91.000 PHE 129 1.000 16.326 49.271 21.418 -99.200 -91.000 TYR 135 0.840 23.339 42.266 37.941 -99.200 -91.000 HIS 144 0.900 13.321 31.654 37.730 -99.200 -91.000 PHE 148 1.000 17.105 39.162 34.843 -99.200 -91.000 PHE 153 1.000 8.515 45.489 22.876 -99.200 -91.000 PHE 172 1.000 12.277 40.396 20.064 -99.200 -91.000 HIS 175 0.900 14.489 39.745 12.776 -99.200 -91.000 PHE 180 1.000 4.738 34.433 19.548 -99.200 -91.000 TYR 190 0.840 4.982 46.588 35.300 -99.200 -91.000 HIS 198 0.900 9.708 27.536 23.233 -99.200 -91.000 TRP 217 1.040 7.507 55.541 38.365 -99.200 -91.000 TRP6 217 1.020 9.853 55.473 38.785 -99.200 -91.000 TRP 223 1.040 2.298 52.729 30.320 -99.200 -91.000 TRP6 223 1.020 3.138 50.515 30.652 -99.200 -91.000 PHE 228 1.000 9.972 39.355 24.562 -99.200 -91.000 HIS 238 0.900 21.886 29.237 20.015 -99.200 -91.000 PHE 240 1.000 22.541 26.910 24.754 -99.200 -91.000 TYR 252 0.840 28.179 25.256 30.591 -99.200 -91.000 TYR 253 0.840 32.649 32.137 23.587 -99.200 -91.000