============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 3 1.000 19.155 -1.755 -5.727 -99.200 -91.000 TYR 11 0.840 34.491 -1.308 -7.836 -99.200 -91.000 TYR 12 0.840 32.673 1.418 -1.251 -99.200 -91.000 PHE 23 1.000 13.732 -4.991 9.148 -99.200 -91.000 TYR 38 0.840 31.268 7.084 1.272 -99.200 -91.000 PHE 42 1.000 28.029 -5.439 4.150 -99.200 -91.000 HIS 72 0.900 17.749 19.107 6.151 -99.200 -91.000 HIS 79 0.900 29.495 7.559 -2.547 -99.200 -91.000 TYR 82 0.840 28.973 -1.483 -4.917 -99.200 -91.000 PHE 101 1.000 19.795 3.552 24.147 -99.200 -91.000 PHE 103 1.000 25.679 13.734 24.031 -99.200 -91.000 PHE 117 1.000 21.730 16.397 21.336 -99.200 -91.000 TYR 126 0.840 9.617 22.785 7.126 -99.200 -91.000 TYR 127 0.840 15.044 17.157 2.716 -99.200 -91.000 HIS 129 0.900 6.696 14.745 8.917 -99.200 -91.000 HIS 135 0.900 12.810 7.586 10.602 -99.200 -91.000 PHE 136 1.000 4.741 5.838 8.908 -99.200 -91.000 PHE 160 1.000 15.633 8.094 6.346 -99.200 -91.000 HIS 164 0.900 6.003 2.454 4.262 -99.200 -91.000 PHE 168 1.000 -3.668 8.098 -2.882 -99.200 -91.000 PHE 172 1.000 -6.146 0.453 6.912 -99.200 -91.000 PHE 176 1.000 2.780 -1.940 16.319 -99.200 -91.000 PHE 181 1.000 11.278 5.818 21.608 -99.200 -91.000 TYR 189 0.840 -2.230 -3.710 14.499 -99.200 -91.000 TRP 199 1.040 2.940 9.147 20.234 -99.200 -91.000 TRP6 199 1.020 0.993 9.531 21.526 -99.200 -91.000 TYR 206 0.840 7.803 12.113 29.849 -99.200 -91.000 PHE 215 1.000 2.764 7.581 26.110 -99.200 -91.000 TYR 232 0.840 1.737 12.494 28.503 -99.200 -91.000 PHE 234 1.000 4.491 16.727 30.865 -99.200 -91.000 TYR 238 0.840 11.717 10.843 36.633 -99.200 -91.000 PHE 239 1.000 9.073 15.789 32.627 -99.200 -91.000 PHE 249 1.000 7.900 20.859 21.054 -99.200 -91.000 HIS 270 0.900 5.251 25.184 21.851 -99.200 -91.000 TRP 272 1.040 10.781 24.723 25.210 -99.200 -91.000 TRP6 272 1.020 11.341 22.490 24.670 -99.200 -91.000 PHE 278 1.000 2.232 -9.127 17.480 -99.200 -91.000