============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 27 0.840 9.750 32.358 16.245 -99.200 -91.000 PHE 29 1.000 15.740 29.778 17.812 -99.200 -91.000 TYR 32 0.840 7.919 29.222 12.608 -99.200 -91.000 PHE 45 1.000 16.944 43.394 2.009 -99.200 -91.000 TRP 47 1.040 19.625 32.884 1.807 -99.200 -91.000 TRP6 47 1.020 20.655 30.830 1.241 -99.200 -91.000 TRP 50 1.040 19.468 26.726 5.077 -99.200 -91.000 TRP6 50 1.020 18.176 25.150 6.294 -99.200 -91.000 PHE 54 1.000 14.676 18.470 15.229 -99.200 -91.000 TYR 60 0.840 28.236 28.516 6.902 -99.200 -91.000 PHE 64 1.000 27.902 35.858 2.201 -99.200 -91.000 PHE 68 1.000 30.826 35.972 6.054 -99.200 -91.000 PHE 70 1.000 25.385 31.581 8.430 -99.200 -91.000 TYR 80 0.840 24.855 33.699 19.789 -99.200 -91.000 TYR 93 0.840 26.678 41.415 7.579 -99.200 -91.000 PHE 94 1.000 18.580 43.838 7.482 -99.200 -91.000 PHE 95 1.000 21.140 36.820 13.184 -99.200 -91.000 TYR 101 0.840 6.389 37.916 11.641 -99.200 -91.000 TRP 102 1.040 12.705 40.189 6.638 -99.200 -91.000 TRP6 102 1.020 14.529 40.635 5.210 -99.200 -91.000 TYR 121 0.840 27.949 72.269 15.880 -99.200 -91.000 TYR 144 0.840 27.618 60.532 12.377 -99.200 -91.000 PHE 145 1.000 34.490 55.718 10.113 -99.200 -91.000 TRP 153 1.040 13.693 66.122 17.654 -99.200 -91.000 TRP6 153 1.020 14.805 68.202 17.819 -99.200 -91.000 HIS 163 0.900 9.417 65.804 8.179 -99.200 -91.000 PHE 165 1.000 15.458 65.979 6.589 -99.200 -91.000 TYR 174 0.840 28.908 57.886 7.339 -99.200 -91.000 TRP 187 1.040 11.117 76.235 21.637 -99.200 -91.000 TRP6 187 1.020 12.227 77.972 20.485 -99.200 -91.000 HIS 198 0.900 29.644 57.767 16.667 -99.200 -91.000