============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. TYR 15 0.840 -4.816 4.819 11.484 -99.200 -91.000 TYR 21 0.840 -14.777 13.865 14.787 -99.200 -91.000 PHE 51 1.000 4.969 13.168 11.013 -99.200 -91.000 TRP 54 1.040 12.376 19.676 9.423 -99.200 -91.000 TRP6 54 1.020 10.617 20.922 8.501 -99.200 -91.000 PHE 63 1.000 2.593 17.972 20.298 -99.200 -91.000 TYR 65 0.840 0.560 18.016 26.557 -99.200 -91.000 TYR 78 0.840 3.788 14.872 16.045 -99.200 -91.000 TRP 83 1.040 -0.939 2.967 13.721 -99.200 -91.000 TRP6 83 1.020 0.262 1.538 15.175 -99.200 -91.000 TYR 85 0.840 5.890 9.568 7.035 -99.200 -91.000 TYR 86 0.840 7.634 7.007 10.720 -99.200 -91.000 PHE 100 1.000 4.501 23.285 31.401 -99.200 -91.000 HIS 103 0.900 5.466 30.589 31.798 -99.200 -91.000 PHE 107 1.000 -5.606 28.432 36.441 -99.200 -91.000 PHE 113 1.000 -4.937 17.060 31.135 -99.200 -91.000 TYR 121 0.840 -2.184 11.561 25.748 -99.200 -91.000 TYR 126 0.840 13.991 21.454 28.615 -99.200 -91.000 PHE 140 1.000 10.047 26.743 23.253 -99.200 -91.000 PHE 143 1.000 13.603 21.731 23.692 -99.200 -91.000 PHE 147 1.000 16.819 17.707 24.714 -99.200 -91.000 HIS 159 0.900 -4.672 31.000 10.649 -99.200 -91.000 PHE 163 1.000 -0.129 40.017 19.125 -99.200 -91.000 HIS 166 0.900 -3.850 37.385 8.241 -99.200 -91.000 TRP 177 1.040 10.504 33.725 19.488 -99.200 -91.000 TRP6 177 1.020 9.720 31.858 20.741 -99.200 -91.000 PHE 180 1.000 11.936 26.815 17.523 -99.200 -91.000 TYR 181 0.840 11.563 25.690 8.474 -99.200 -91.000 HIS 188 0.900 -6.550 23.366 9.629 -99.200 -91.000 TRP 189 1.040 -8.064 21.525 13.639 -99.200 -91.000 TRP6 189 1.020 -9.260 19.772 14.673 -99.200 -91.000 TRP 195 1.040 -15.286 23.586 23.152 -99.200 -91.000 TRP6 195 1.020 -13.817 23.303 25.016 -99.200 -91.000 PHE 197 1.000 -10.028 14.379 17.254 -99.200 -91.000 TYR 200 0.840 -15.941 9.922 18.311 -99.200 -91.000 TYR 209 0.840 -9.790 23.539 28.781 -99.200 -91.000 TYR 211 0.840 -15.002 22.055 38.529 -99.200 -91.000 PHE 213 1.000 -11.010 28.518 34.908 -99.200 -91.000 HIS 227 0.900 -19.476 36.603 26.757 -99.200 -91.000 PHE 241 1.000 -19.402 20.838 20.675 -99.200 -91.000 TRP 243 1.040 -24.158 11.038 17.604 -99.200 -91.000 TRP6 243 1.020 -21.982 10.379 16.993 -99.200 -91.000 TYR 249 0.840 -11.989 4.739 19.752 -99.200 -91.000 HIS 251 0.900 -10.529 5.014 25.851 -99.200 -91.000 HIS 274 0.900 -19.527 32.043 47.429 -99.200 -91.000 TYR 277 0.840 -18.643 31.168 35.826 -99.200 -91.000 TYR 278 0.840 -24.966 26.675 30.828 -99.200 -91.000 TRP 281 1.040 -18.530 20.395 27.332 -99.200 -91.000 TRP6 281 1.020 -16.769 19.901 28.857 -99.200 -91.000 TYR 282 0.840 -23.353 23.401 27.776 -99.200 -91.000