============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TRP 2 1.040 62.448 -0.889 9.016 -99.200 -91.000 TRP6 2 1.020 62.046 0.228 11.081 -99.200 -91.000 HIS 8 0.900 66.332 10.609 -11.169 -99.200 -91.000 TRP 12 1.040 66.698 15.066 3.310 -99.200 -91.000 TRP6 12 1.020 64.793 13.624 3.300 -99.200 -91.000 PHE 18 1.000 56.384 22.449 -1.313 -99.200 -91.000 PHE 19 1.000 58.766 19.755 5.206 -99.200 -91.000 TRP 35 1.040 59.954 15.216 7.595 -99.200 -91.000 TRP6 35 1.020 58.938 13.118 8.011 -99.200 -91.000 TYR 51 0.840 69.086 9.469 8.902 -99.200 -91.000 PHE 64 1.000 58.226 2.376 11.626 -99.200 -91.000 TRP 69 1.040 60.117 -1.026 5.723 -99.200 -91.000 TRP6 69 1.020 60.564 1.301 5.744 -99.200 -91.000 TYR 79 0.840 54.462 14.603 4.586 -99.200 -91.000 TYR 89 0.840 63.674 15.391 -12.692 -99.200 -91.000 PHE 91 1.000 54.355 17.290 -19.762 -99.200 -91.000 PHE 105 1.000 63.168 26.090 -7.677 -99.200 -91.000 TYR 106 0.840 68.218 17.152 -12.236 -99.200 -91.000 PHE 108 1.000 60.308 19.616 -4.656 -99.200 -91.000 PHE 119 1.000 40.963 17.167 11.436 -99.200 -91.000 PHE 133 1.000 52.591 27.371 3.418 -99.200 -91.000 PHE 147 1.000 44.056 22.733 21.272 -99.200 -91.000 TRP 153 1.040 62.177 5.611 19.707 -99.200 -91.000 TRP6 153 1.020 63.304 5.838 17.639 -99.200 -91.000 PHE 158 1.000 60.744 11.323 16.810 -99.200 -91.000 TYR 159 0.840 57.132 18.482 19.171 -99.200 -91.000 PHE 161 1.000 46.750 19.358 11.944 -99.200 -91.000 TRP 203 1.040 35.155 9.579 -1.593 -99.200 -91.000 TRP6 203 1.020 33.296 11.033 -1.302 -99.200 -91.000 TYR 209 0.840 35.182 21.683 -6.875 -99.200 -91.000 TYR 211 0.840 33.046 15.312 2.141 -99.200 -91.000 PHE 215 1.000 32.037 19.660 4.810 -99.200 -91.000 TRP 221 1.040 43.266 28.888 -2.906 -99.200 -91.000 TRP6 221 1.020 43.368 29.618 -0.654 -99.200 -91.000 PHE 236 1.000 48.208 24.606 -11.973 -99.200 -91.000 TYR 251 0.840 54.537 29.071 -19.134 -99.200 -91.000 PHE 252 1.000 50.292 34.446 -19.849 -99.200 -91.000 PHE 270 1.000 51.919 24.271 -16.032 -99.200 -91.000 PHE 273 1.000 54.441 13.781 -15.889 -99.200 -91.000 PHE 279 1.000 53.931 19.605 -3.941 -99.200 -91.000 TYR 280 0.840 59.851 20.773 -9.925 -99.200 -91.000 PHE 282 1.000 51.861 26.211 -4.179 -99.200 -91.000 TYR 284 0.840 60.049 31.191 -11.222 -99.200 -91.000 PHE 287 1.000 63.029 29.151 -2.104 -99.200 -91.000 PHE 288 1.000 65.149 33.903 -8.285 -99.200 -91.000