============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 64 rings ring int. center anis. iso. PHE 2 1.000 30.925 9.215 58.515 -99.200 -91.000 TRP 8 1.040 16.734 17.175 45.917 -99.200 -91.000 TRP6 8 1.020 18.157 17.500 44.039 -99.200 -91.000 TYR 15 0.840 28.880 15.728 53.323 -99.200 -91.000 PHE 53 1.000 19.988 3.701 79.101 -99.200 -91.000 TYR 57 0.840 21.296 8.929 83.562 -99.200 -91.000 TYR 58 0.840 26.122 8.155 85.385 -99.200 -91.000 HIS 69 0.900 30.149 6.717 83.065 -99.200 -91.000 TYR 86 0.840 20.783 -3.439 83.247 -99.200 -91.000 HIS 87 0.900 15.709 -5.623 88.069 -99.200 -91.000 PHE 95 1.000 19.484 9.336 78.220 -99.200 -91.000 TRP 101 1.040 8.586 10.977 70.706 -99.200 -91.000 TRP6 101 1.020 7.735 12.695 72.099 -99.200 -91.000 TRP 113 1.040 13.877 15.392 71.520 -99.200 -91.000 TRP6 113 1.020 15.324 14.742 73.269 -99.200 -91.000 PHE 119 1.000 2.146 9.332 84.702 -99.200 -91.000 PHE 131 1.000 -9.845 -0.186 84.539 -99.200 -91.000 TYR 133 0.840 0.701 1.771 88.145 -99.200 -91.000 HIS 137 0.900 -0.372 7.102 79.609 -99.200 -91.000 TYR 140 0.840 0.208 14.097 83.226 -99.200 -91.000 PHE 154 1.000 1.476 -1.061 82.963 -99.200 -91.000 PHE 164 1.000 3.645 -7.623 84.733 -99.200 -91.000 TRP 167 1.040 -3.732 -10.029 75.132 -99.200 -91.000 TRP6 167 1.020 -4.985 -11.918 74.457 -99.200 -91.000 TYR 174 0.840 -14.323 5.457 68.123 -99.200 -91.000 TYR 177 0.840 -19.872 -4.153 67.494 -99.200 -91.000 HIS 200 0.900 -10.275 -13.939 76.355 -99.200 -91.000 TRP 202 1.040 -17.611 -5.290 75.797 -99.200 -91.000 TRP6 202 1.020 -17.626 -4.577 73.535 -99.200 -91.000 PHE 209 1.000 -18.033 6.704 64.631 -99.200 -91.000 PHE 226 1.000 -9.116 -5.225 84.381 -99.200 -91.000 HIS 240 0.900 -16.921 21.782 56.271 -99.200 -91.000 TRP 245 1.040 -24.176 19.003 53.644 -99.200 -91.000 TRP6 245 1.020 -22.119 17.823 53.544 -99.200 -91.000 PHE 246 1.000 -18.143 16.217 57.739 -99.200 -91.000 TRP 253 1.040 -10.457 9.213 65.945 -99.200 -91.000 TRP6 253 1.020 -10.961 7.265 64.748 -99.200 -91.000 TYR 254 0.840 -9.737 6.923 69.365 -99.200 -91.000 PHE 271 1.000 11.768 -1.558 80.705 -99.200 -91.000 PHE 276 1.000 4.264 4.999 72.106 -99.200 -91.000 TRP 279 1.040 -0.058 17.316 69.956 -99.200 -91.000 TRP6 279 1.020 1.298 17.904 71.797 -99.200 -91.000 TYR 280 0.840 -5.499 10.721 66.837 -99.200 -91.000 HIS 294 0.900 -6.911 -0.377 54.498 -99.200 -91.000 TYR 296 0.840 -15.050 4.061 61.253 -99.200 -91.000 TRP 317 1.040 -15.298 11.287 42.721 -99.200 -91.000 TRP6 317 1.020 -15.249 9.690 44.478 -99.200 -91.000 HIS 331 0.900 -15.373 24.315 62.827 -99.200 -91.000 PHE 333 1.000 -9.591 16.212 67.587 -99.200 -91.000 HIS 343 0.900 -2.165 18.395 56.142 -99.200 -91.000 HIS 344 0.900 -0.442 22.359 54.756 -99.200 -91.000 PHE 350 1.000 10.936 15.123 61.195 -99.200 -91.000 HIS 353 0.900 13.658 16.497 66.169 -99.200 -91.000 TRP 368 1.040 10.718 11.658 51.684 -99.200 -91.000 TRP6 368 1.02