============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 8 1.000 -2.645 9.093 17.447 -99.200 -91.000 TYR 24 0.840 3.604 6.069 32.878 -99.200 -91.000 TRP 39 1.040 8.395 6.467 18.153 -99.200 -91.000 TRP6 39 1.020 7.140 8.314 18.919 -99.200 -91.000 PHE 44 1.000 12.825 -5.162 2.693 -99.200 -91.000 TRP 62 1.040 23.053 10.429 13.830 -99.200 -91.000 TRP6 62 1.020 24.846 8.895 13.889 -99.200 -91.000 HIS 68 0.900 19.363 -9.024 18.845 -99.200 -91.000 TYR 72 0.840 23.362 -13.865 18.422 -99.200 -91.000 TRP 74 1.040 21.048 -17.420 15.946 -99.200 -91.000 TRP6 74 1.020 19.251 -15.965 16.420 -99.200 -91.000 PHE 78 1.000 22.332 -9.000 8.046 -99.200 -91.000 HIS 90 0.900 -0.775 0.495 9.979 -99.200 -91.000 TYR 95 0.840 7.292 1.908 -2.264 -99.200 -91.000 TYR 109 0.840 29.173 5.289 13.503 -99.200 -91.000 HIS 111 0.900 28.711 0.172 24.274 -99.200 -91.000 TYR 114 0.840 26.353 -7.180 20.591 -99.200 -91.000 TRP 116 1.040 29.889 -11.001 19.802 -99.200 -91.000 TRP6 116 1.020 30.739 -13.184 19.512 -99.200 -91.000 PHE 135 1.000 12.029 14.828 11.472 -99.200 -91.000 TYR 138 0.840 1.090 9.233 7.317 -99.200 -91.000 HIS 140 0.900 7.884 14.542 15.069 -99.200 -91.000 TYR 157 0.840 5.814 4.416 37.504 -99.200 -91.000 TRP 164 1.040 5.735 -3.797 10.681 -99.200 -91.000 TRP6 164 1.020 7.250 -1.994 10.888 -99.200 -91.000 PHE 201 1.000 13.647 -1.561 30.329 -99.200 -91.000 TYR 205 0.840 0.355 -7.214 31.655 -99.200 -91.000 PHE 224 1.000 9.363 -0.711 27.886 -99.200 -91.000 PHE 230 1.000 6.877 13.723 35.839 -99.200 -91.000 TRP 234 1.040 4.224 9.097 22.912 -99.200 -91.000 TRP6 234 1.020 3.473 7.078 23.885 -99.200 -91.000 TYR 235 0.840 11.248 11.912 27.262 -99.200 -91.000 TRP 242 1.040 18.280 -10.747 26.742 -99.200 -91.000 TRP6 242 1.020 17.788 -12.363 28.395 -99.200 -91.000 TYR 252 0.840 8.611 -11.565 34.028 -99.200 -91.000 PHE 254 1.000 15.417 -10.365 30.977 -99.200 -91.000 TYR 255 0.840 11.552 -4.886 26.321 -99.200 -91.000 HIS 257 0.900 18.454 1.725 32.082 -99.200 -91.000 PHE 259 1.000 20.421 8.208 32.148 -99.200 -91.000 TRP 264 1.040 28.612 3.807 22.054 -99.200 -91.000 TRP6 264 1.020 26.810 3.214 20.648 -99.200 -91.000 PHE 272 1.000 32.347 8.542 14.317 -99.200 -91.000