============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 27 0.840 18.932 -23.971 22.474 -99.200 -91.000 PHE 29 1.000 11.910 -23.806 23.700 -99.200 -91.000 PHE 32 1.000 20.876 -22.909 27.406 -99.200 -91.000 TYR 33 0.840 16.192 -16.783 32.066 -99.200 -91.000 HIS 35 0.900 16.254 -12.111 27.517 -99.200 -91.000 TRP 36 1.040 10.034 -13.481 21.951 -99.200 -91.000 TRP6 36 1.020 9.707 -14.106 19.692 -99.200 -91.000 TRP 47 1.040 13.969 -7.899 27.417 -99.200 -91.000 TRP6 47 1.020 12.742 -7.625 29.421 -99.200 -91.000 TRP 50 1.040 13.219 -13.020 31.448 -99.200 -91.000 TRP6 50 1.020 12.075 -14.585 32.839 -99.200 -91.000 PHE 52 1.000 14.525 -21.081 32.831 -99.200 -91.000 HIS 53 0.900 10.173 -26.179 32.030 -99.200 -91.000 TYR 60 0.840 5.123 -10.328 29.289 -99.200 -91.000 PHE 64 1.000 7.469 -3.308 23.888 -99.200 -91.000 TYR 80 0.840 4.353 -20.719 18.884 -99.200 -91.000 TYR 93 0.840 7.811 -6.719 16.612 -99.200 -91.000 PHE 94 1.000 16.284 -8.699 14.750 -99.200 -91.000 TRP 98 1.040 20.780 -13.623 29.310 -99.200 -91.000 TRP6 98 1.020 19.699 -13.261 31.360 -99.200 -91.000 HIS 101 0.900 31.137 -16.417 30.914 -99.200 -91.000 TRP 102 1.040 24.785 -15.763 33.067 -99.200 -91.000 TRP6 102 1.020 22.608 -16.681 33.252 -99.200 -91.000 TYR 103 0.840 27.418 -13.663 24.634 -99.200 -91.000 PHE 104 1.000 19.238 -10.443 25.071 -99.200 -91.000 TRP 107 1.040 21.012 -11.801 18.794 -99.200 -91.000 TRP6 107 1.020 19.769 -9.855 19.303 -99.200 -91.000 TYR 126 0.840 4.323 5.617 -13.720 -99.200 -91.000 TYR 143 0.840 6.657 -1.222 -4.051 -99.200 -91.000 PHE 144 1.000 0.812 -3.273 1.814 -99.200 -91.000 TRP 152 1.040 18.765 -0.219 -13.702 -99.200 -91.000 TRP6 152 1.020 17.477 1.174 -15.114 -99.200 -91.000 HIS 162 0.900 24.157 5.153 -6.516 -99.200 -91.000 PHE 164 1.000 18.459 6.627 -4.736 -99.200 -91.000 TYR 173 0.840 5.783 0.013 1.728 -99.200 -91.000 TRP 186 1.040 19.136 5.606 -23.070 -99.200 -91.000 TRP6 186 1.020 18.657 7.917 -23.037 -99.200 -91.000 HIS 197 0.900 4.486 -6.355 -5.463 -99.200 -91.000