============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. PHE 10 1.000 -86.006 79.609 -10.116 -99.200 -91.000 HIS 11 0.900 -75.327 81.904 -9.858 -99.200 -91.000 HIS 13 0.900 -79.942 87.806 -6.116 -99.200 -91.000 TYR 34 0.840 -93.693 72.411 -10.153 -99.200 -91.000 TYR 43 0.840 -68.828 72.951 -2.256 -99.200 -91.000 TYR 57 0.840 -75.398 70.854 -20.992 -99.200 -91.000 PHE 67 1.000 -92.250 58.892 -17.291 -99.200 -91.000 TRP 73 1.040 -76.521 61.215 -17.972 -99.200 -91.000 TRP6 73 1.020 -74.299 60.782 -18.717 -99.200 -91.000 PHE 77 1.000 -70.395 61.019 -22.695 -99.200 -91.000 PHE 81 1.000 -66.336 68.912 -30.531 -99.200 -91.000 TRP 82 1.040 -67.671 72.402 -26.144 -99.200 -91.000 TRP6 82 1.020 -65.416 72.291 -26.862 -99.200 -91.000 PHE 91 1.000 -69.546 64.203 -17.224 -99.200 -91.000 PHE 97 1.000 -81.478 71.266 -17.814 -99.200 -91.000 PHE 101 1.000 -84.644 65.904 -17.969 -99.200 -91.000 TRP 102 1.040 -84.150 59.849 -12.872 -99.200 -91.000 TRP6 102 1.020 -84.986 57.629 -12.864 -99.200 -91.000 TYR 114 0.840 -88.725 54.828 -1.833 -99.200 -91.000 TYR 128 0.840 -70.465 62.151 7.185 -99.200 -91.000 PHE 134 1.000 -66.146 75.397 7.514 -99.200 -91.000 TRP 136 1.040 -74.439 69.533 14.741 -99.200 -91.000 TRP6 136 1.020 -74.333 68.907 12.507 -99.200 -91.000 TYR 149 0.840 -61.326 71.898 15.321 -99.200 -91.000 TYR 161 0.840 -76.499 64.230 13.634 -99.200 -91.000 HIS 171 0.900 -60.762 76.251 9.253 -99.200 -91.000 PHE 181 1.000 -48.411 75.159 -0.011 -99.200 -91.000 HIS 216 0.900 -63.064 70.686 3.121 -99.200 -91.000 HIS 218 0.900 -58.042 72.677 2.075 -99.200 -91.000 PHE 227 1.000 -53.549 64.767 10.306 -99.200 -91.000 PHE 234 1.000 -55.508 59.960 18.140 -99.200 -91.000 PHE 237 1.000 -67.189 54.585 9.568 -99.200 -91.000 PHE 238 1.000 -65.806 57.937 5.093 -99.200 -91.000 TYR 239 0.840 -56.345 60.882 5.617 -99.200 -91.000 TYR 269 0.840 -66.595 66.443 -11.419 -99.200 -91.000 TRP 272 1.040 -66.512 57.495 -19.902 -99.200 -91.000 TRP6 272 1.020 -68.883 57.588 -19.977 -99.200 -91.000 PHE 274 1.000 -66.817 58.576 -8.680 -99.200 -91.000 PHE 277 1.000 -59.709 58.375 -8.584 -99.200 -91.000 PHE 296 1.000 -82.512 61.200 -8.225 -99.200 -91.000 PHE 299 1.000 -75.576 58.119 -5.892 -99.200 -91.000 HIS 307 0.900 -72.649 45.565 -4.321 -99.200 -91.000 PHE 309 1.000 -64.063 47.366 -9.842 -99.200 -91.000 HIS 316 0.900 -70.233 66.993 -1.795 -99.200 -91.000 HIS 329 0.900 -86.690 60.118 -3.039 -99.200 -91.000 PHE 337 1.000 -76.385 54.929 3.206 -99.200 -91.000 HIS 340 0.900 -77.684 61.937 3.733 -99.200 -91.000 HIS 342 0.900 -78.415 67.193 8.029 -99.200 -91.000 HIS 343 0.900 -71.748 71.121 4.735 -99.200 -91.000 TYR 351 0.840 -77.340 76.639 1.668 -99.200 -91.000 HIS 357 0.900 -91.970 69.376 1.773 -99.200 -91.000 TYR 359 0.840 -88.215 65.962 3.244 -99.200 -91.000 TYR 366 0.840 -81.702 63.217 6.548 -99.200 -91.000 TYR 383 0.840 -90.268 82.001 -9.572 -99.200 -91.000 TYR 388 0.840 -87.090 83.498 -13.665 -99.200 -91.000