============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 2 1.000 10.836 29.901 18.799 -99.200 -91.000 TYR 7 0.840 26.147 35.248 20.005 -99.200 -91.000 TYR 12 0.840 34.574 34.623 6.501 -99.200 -91.000 TYR 22 0.840 36.784 31.673 13.351 -99.200 -91.000 PHE 33 1.000 27.533 27.290 22.153 -99.200 -91.000 HIS 35 0.900 27.159 23.073 11.269 -99.200 -91.000 TYR 42 0.840 20.022 31.310 11.192 -99.200 -91.000 TRP 44 1.040 25.181 25.465 17.595 -99.200 -91.000 TRP6 44 1.020 24.298 23.911 19.087 -99.200 -91.000 HIS 50 0.900 19.451 31.371 26.828 -99.200 -91.000 TYR 79 0.840 31.923 18.676 0.773 -99.200 -91.000 TYR 81 0.840 33.884 11.523 11.674 -99.200 -91.000 PHE 87 1.000 39.119 20.799 4.583 -99.200 -91.000 PHE 89 1.000 38.825 16.270 15.270 -99.200 -91.000 TRP 92 1.040 36.733 23.046 16.745 -99.200 -91.000 TRP6 92 1.020 35.696 21.089 17.507 -99.200 -91.000 HIS 100 0.900 41.162 24.700 32.305 -99.200 -91.000 HIS 106 0.900 21.322 18.932 16.276 -99.200 -91.000 TRP 108 1.040 26.431 13.272 10.397 -99.200 -91.000 TRP6 108 1.020 27.758 11.410 10.776 -99.200 -91.000 PHE 114 1.000 29.277 12.627 22.020 -99.200 -91.000 TRP 116 1.040 39.257 18.303 19.184 -99.200 -91.000 TRP6 116 1.020 39.322 19.405 21.244 -99.200 -91.000 HIS 120 0.900 42.477 16.670 20.740 -99.200 -91.000 PHE 129 1.000 24.985 13.738 25.379 -99.200 -91.000 TRP 139 1.040 17.837 1.027 7.740 -99.200 -91.000 TRP6 139 1.020 17.944 3.309 7.217 -99.200 -91.000 TRP 142 1.040 16.643 7.344 10.376 -99.200 -91.000 TRP6 142 1.020 18.628 8.313 11.176 -99.200 -91.000 PHE 150 1.000 17.894 10.716 7.009 -99.200 -91.000 PHE 153 1.000 18.777 12.343 1.580 -99.200 -91.000 HIS 165 0.900 14.494 16.600 -7.511 -99.200 -91.000 PHE 168 1.000 19.663 15.600 5.728 -99.200 -91.000 HIS 188 0.900 19.892 34.258 8.109 -99.200 -91.000 TYR 189 0.840 18.583 26.534 9.786 -99.200 -91.000 PHE 193 1.000 23.809 23.321 2.116 -99.200 -91.000 TRP 206 1.040 27.684 16.005 7.242 -99.200 -91.000 TRP6 206 1.020 29.416 14.937 8.483 -99.200 -91.000 TYR 226 0.840 31.737 8.910 19.165 -99.200 -91.000 TRP 229 1.040 36.512 9.085 27.269 -99.200 -91.000 TRP6 229 1.020 35.572 11.067 26.409 -99.200 -91.000 PHE 239 1.000 19.916 12.285 27.018 -99.200 -91.000 TYR 255 0.840 24.928 3.393 25.050 -99.200 -91.000 TRP 259 1.040 26.441 6.940 27.984 -99.200 -91.000 TRP6 259 1.020 26.662 8.480 26.221 -99.200 -91.000 HIS 271 0.900 18.414 15.574 14.376 -99.200 -91.000 PHE 272 1.000 17.419 19.512 11.859 -99.200 -91.000 PHE 288 1.000 27.488 20.466 31.815 -99.200 -91.000