============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 93 rings ring int. center anis. iso. PHE 4 1.000 -15.744 23.878 19.176 -99.200 -91.000 PHE 8 1.000 -11.656 25.801 18.226 -99.200 -91.000 TRP 10 1.040 -13.968 26.322 13.688 -99.200 -91.000 TRP6 10 1.020 -14.515 24.227 14.615 -99.200 -91.000 TYR 17 0.840 6.856 11.261 -0.958 -99.200 -91.000 TRP 33 1.040 8.357 8.702 3.743 -99.200 -91.000 TRP6 33 1.020 7.015 6.766 3.474 -99.200 -91.000 HIS 34 0.900 12.227 9.834 -5.706 -99.200 -91.000 PHE 36 1.000 9.958 2.584 3.216 -99.200 -91.000 HIS 38 0.900 10.295 5.989 -7.305 -99.200 -91.000 HIS 55 0.900 -1.032 21.851 -2.752 -99.200 -91.000 TYR 56 0.840 6.699 21.899 -7.445 -99.200 -91.000 TRP 59 1.040 0.747 26.695 -6.489 -99.200 -91.000 TRP6 59 1.020 0.224 28.927 -5.938 -99.200 -91.000 TYR 74 0.840 -2.880 24.117 3.494 -99.200 -91.000 PHE 76 1.000 2.088 25.658 4.354 -99.200 -91.000 TRP 80 1.040 16.106 19.471 5.660 -99.200 -91.000 TRP6 80 1.020 16.309 18.339 7.733 -99.200 -91.000 PHE 98 1.000 5.114 24.229 -3.899 -99.200 -91.000 TYR 99 0.840 7.116 24.400 0.472 -99.200 -91.000 PHE 114 1.000 -1.579 27.094 13.554 -99.200 -91.000 TYR 118 0.840 11.322 15.073 9.421 -99.200 -91.000 HIS 119 0.900 3.189 15.416 8.234 -99.200 -91.000 TRP 120 1.040 6.372 11.723 9.477 -99.200 -91.000 TRP6 120 1.020 4.677 10.107 9.158 -99.200 -91.000 PHE 124 1.000 19.196 8.279 -0.452 -99.200 -91.000 TRP 132 1.040 14.983 11.945 11.770 -99.200 -91.000 TRP6 132 1.020 15.085 14.148 12.679 -99.200 -91.000 TRP 140 1.040 23.531 17.422 9.963 -99.200 -91.000 TRP6 140 1.020 23.145 15.077 9.838 -99.200 -91.000 PHE 141 1.000 14.179 20.131 12.793 -99.200 -91.000 TYR 144 0.840 14.034 22.168 6.969 -99.200 -91.000 PHE 149 1.000 12.369 28.776 12.901 -99.200 -91.000 PHE 152 1.000 9.342 30.089 3.611 -99.200 -91.000 TRP 159 1.040 7.114 29.420 12.245 -99.200 -91.000 TRP6 159 1.020 8.175 28.807 10.200 -99.200 -91.000 TRP 166 1.040 5.808 5.913 19.402 -99.200 -91.000 TRP6 166 1.020 4.689 4.552 17.829 -99.200 -91.000 HIS 173 0.900 14.704 5.776 12.115 -99.200 -91.000 TYR 175 0.840 6.360 -0.705 15.263 -99.200 -91.000 HIS 178 0.900 5.254 5.219 8.336 -99.200 -91.000 TYR 186 0.840 20.593 -1.788 21.716 -99.200 -91.000 PHE 189 1.000 13.133 3.156 22.645 -99.200 -91.000 HIS 193 0.900 18.585 11.862 24.116 -99.200 -91.000 HIS 199 0.900 10.624 20.625 20.217 -99.200 -91.000 PHE 206 1.000 9.476 30.651 16.437 -99.200 -91.000 PHE 219 1.000 4.439 15.609 21.267 -99.200 -91.000 TYR 223 0.840 -10.010 6.497 25.876 -99.200 -91.000 PHE 224 1.000 -2.636 3.355 23.369 -99.200 -91.000 PHE 236 1.000 5.451 0.286 27.025 -99.200 -91.000 HIS 238 0.900 -1.050 8.817 28.445 -99.200 -91.000 PHE 240 1.000 7.170 2.944 22.752 -99.200 -91.000 TYR 243 0.840 -0.046 13.726 26.529 -99.200 -91.000 PHE 246 1.000 8.596 12.026 21.146 -99.200 -91.000 TYR 251 0.840 5.4