============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 17 1.000 10.441 51.849 18.098 -99.200 -91.000 TYR 20 0.840 6.968 45.748 20.001 -99.200 -91.000 TYR 27 0.840 -4.441 53.519 20.367 -99.200 -91.000 TRP 29 1.040 1.361 51.071 9.485 -99.200 -91.000 TRP6 29 1.020 2.274 53.197 9.932 -99.200 -91.000 PHE 46 1.000 1.029 24.735 17.723 -99.200 -91.000 TYR 50 0.840 -1.061 22.696 22.560 -99.200 -91.000 PHE 54 1.000 4.496 20.230 18.230 -99.200 -91.000 HIS 62 0.900 16.983 11.600 10.255 -99.200 -91.000 TYR 69 0.840 8.134 20.536 -2.865 -99.200 -91.000 PHE 72 1.000 6.389 23.432 3.269 -99.200 -91.000 PHE 80 1.000 -3.078 23.120 6.977 -99.200 -91.000 TRP 86 1.040 -9.908 30.625 12.549 -99.200 -91.000 TRP6 86 1.020 -9.026 31.974 10.817 -99.200 -91.000 PHE 92 1.000 1.523 26.922 6.286 -99.200 -91.000 PHE 93 1.000 1.498 31.444 8.882 -99.200 -91.000 PHE 95 1.000 6.972 21.425 9.225 -99.200 -91.000 TRP 118 1.040 9.308 25.184 -1.427 -99.200 -91.000 TRP6 118 1.020 10.941 23.892 -0.277 -99.200 -91.000 TYR 122 0.840 -0.876 24.099 1.864 -99.200 -91.000 HIS 126 0.900 -3.675 23.942 -2.047 -99.200 -91.000 TRP 130 1.040 -11.161 26.827 6.326 -99.200 -91.000 TRP6 130 1.020 -10.537 28.049 8.263 -99.200 -91.000 TRP 137 1.040 -6.027 37.449 6.049 -99.200 -91.000 TRP6 137 1.020 -4.634 35.772 6.976 -99.200 -91.000 PHE 140 1.000 -4.625 34.565 13.407 -99.200 -91.000 TYR 144 0.840 -6.104 31.705 17.317 -99.200 -91.000