============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. PHE 11 1.000 -1.140 67.115 -4.491 -99.200 -91.000 PHE 16 1.000 2.742 57.143 0.696 -99.200 -91.000 TYR 17 0.840 -3.053 58.821 -5.821 -99.200 -91.000 PHE 29 1.000 -14.277 54.100 -3.085 -99.200 -91.000 PHE 31 1.000 -9.066 53.675 0.013 -99.200 -91.000 TRP 41 1.040 -11.020 55.875 8.993 -99.200 -91.000 TRP6 41 1.020 -12.636 56.600 10.570 -99.200 -91.000 HIS 56 0.900 -12.927 58.796 -7.632 -99.200 -91.000 TYR 58 0.840 -19.388 50.673 -0.141 -99.200 -91.000 TYR 66 0.840 -23.952 46.662 2.619 -99.200 -91.000 TYR 77 0.840 -7.965 65.636 11.522 -99.200 -91.000 PHE 85 1.000 -23.475 53.233 7.739 -99.200 -91.000 PHE 86 1.000 -16.567 49.449 12.557 -99.200 -91.000 TYR 100 0.840 -10.225 44.871 6.682 -99.200 -91.000 PHE 102 1.000 -16.362 49.201 3.830 -99.200 -91.000 PHE 111 1.000 -9.314 64.197 7.086 -99.200 -91.000 TYR 115 0.840 -12.867 63.663 2.419 -99.200 -91.000 PHE 120 1.000 -7.171 62.277 1.772 -99.200 -91.000 TRP 128 1.040 1.072 46.379 15.194 -99.200 -91.000 TRP6 128 1.020 1.410 44.060 15.550 -99.200 -91.000 PHE 154 1.000 2.482 47.358 6.359 -99.200 -91.000 PHE 156 1.000 3.733 52.128 3.011 -99.200 -91.000 TYR 157 0.840 11.655 52.380 -3.834 -99.200 -91.000 HIS 161 0.900 7.792 66.755 -6.958 -99.200 -91.000 HIS 164 0.900 12.128 56.596 -6.304 -99.200 -91.000 PHE 167 1.000 5.737 49.568 -7.498 -99.200 -91.000 PHE 177 1.000 10.093 47.482 -3.849 -99.200 -91.000 TYR 178 0.840 16.378 44.991 0.757 -99.200 -91.000 TYR 184 0.840 13.982 42.715 9.902 -99.200 -91.000 HIS 189 0.900 3.880 50.791 24.079 -99.200 -91.000 TYR 192 0.840 0.074 55.371 17.201 -99.200 -91.000 TRP 193 1.040 3.155 49.160 11.917 -99.200 -91.000 TRP6 193 1.020 3.882 46.901 11.960 -99.200 -91.000 HIS 200 0.900 24.046 62.627 17.875 -99.200 -91.000 PHE 226 1.000 16.137 66.160 20.352 -99.200 -91.000 PHE 241 1.000 1.655 86.948 14.217 -99.200 -91.000 PHE 244 1.000 3.897 75.730 8.056 -99.200 -91.000 TYR 245 0.840 10.605 76.040 13.610 -99.200 -91.000 PHE 257 1.000 16.038 65.249 12.806 -99.200 -91.000 PHE 259 1.000 15.927 59.601 14.643 -99.200 -91.000 TYR 266 0.840 18.062 52.377 11.653 -99.200 -91.000 TYR 272 0.840 18.139 61.684 2.304 -99.200 -91.000 TYR 273 0.840 16.652 68.348 8.238 -99.200 -91.000 HIS 276 0.900 15.293 73.250 -3.159 -99.200 -91.000 PHE 294 1.000 3.020 61.995 19.891 -99.200 -91.000 PHE 299 1.000 13.082 62.580 18.318 -99.200 -91.000 PHE 305 1.000 13.811 56.826 9.372 -99.200 -91.000 TYR 309 0.840 17.545 55.209 6.615 -99.200 -91.000 PHE 310 1.000 12.034 47.901 1.388 -99.200 -91.000 PHE 313 1.000 6.127 49.805 8.119 -99.200 -91.000 TYR 315 0.840 0.374 43.782 10.818 -99.200 -91.000 HIS 318 0.900 4.035 40.666 17.746 -99.200 -91.000