============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.440 7.441 18.183 -99.200 -91.000 TRP6 14 1.020 7.245 9.359 18.903 -99.200 -91.000 PHE 19 1.000 12.837 -4.118 2.765 -99.200 -91.000 TRP 37 1.040 22.913 11.386 13.811 -99.200 -91.000 TRP6 37 1.020 24.747 9.886 13.780 -99.200 -91.000 HIS 43 0.900 19.280 -7.889 19.003 -99.200 -91.000 TYR 47 0.840 23.877 -13.095 18.513 -99.200 -91.000 TRP 49 1.040 22.007 -16.759 16.273 -99.200 -91.000 TRP6 49 1.020 19.993 -15.673 16.849 -99.200 -91.000 PHE 53 1.000 22.285 -7.859 8.073 -99.200 -91.000 HIS 65 0.900 -0.902 1.548 10.014 -99.200 -91.000 TYR 70 0.840 7.277 2.718 -2.174 -99.200 -91.000 TYR 84 0.840 29.175 6.417 13.668 -99.200 -91.000 HIS 86 0.900 28.643 1.047 24.168 -99.200 -91.000 TYR 89 0.840 26.415 -6.195 20.534 -99.200 -91.000 TRP 91 1.040 30.099 -9.845 19.782 -99.200 -91.000 TRP6 91 1.020 31.119 -11.957 19.548 -99.200 -91.000 PHE 110 1.000 12.164 15.693 11.335 -99.200 -91.000 TYR 113 0.840 1.220 10.369 7.218 -99.200 -91.000 HIS 115 0.900 7.944 15.609 15.051 -99.200 -91.000 TYR 132 0.840 5.842 5.626 37.500 -99.200 -91.000 TRP 139 1.040 5.683 -2.785 10.850 -99.200 -91.000 TRP6 139 1.020 7.238 -1.016 10.974 -99.200 -91.000 PHE 176 1.000 13.704 -0.531 30.368 -99.200 -91.000 TYR 180 0.840 0.382 -5.965 31.821 -99.200 -91.000 PHE 199 1.000 9.397 0.344 27.979 -99.200 -91.000 PHE 205 1.000 7.204 14.739 35.770 -99.200 -91.000 TRP 209 1.040 4.411 10.247 22.997 -99.200 -91.000 TRP6 209 1.020 3.646 8.222 23.934 -99.200 -91.000 TYR 210 0.840 11.440 12.883 27.242 -99.200 -91.000 TRP 217 1.040 18.322 -9.819 26.728 -99.200 -91.000 TRP6 217 1.020 17.848 -11.430 28.388 -99.200 -91.000 TYR 227 0.840 8.471 -10.588 34.144 -99.200 -91.000 PHE 229 1.000 15.530 -9.342 31.110 -99.200 -91.000 TYR 230 0.840 11.674 -3.874 26.409 -99.200 -91.000 HIS 232 0.900 18.535 2.767 32.161 -99.200 -91.000 PHE 234 1.000 20.511 9.303 31.994 -99.200 -91.000 TRP 239 1.040 28.739 4.805 21.868 -99.200 -91.000 TRP6 239 1.020 26.867 4.205 20.578 -99.200 -91.000 PHE 247 1.000 32.557 9.454 14.415 -99.200 -91.000