============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 9 0.840 4.313 17.059 7.370 -99.200 -91.000 TYR 10 0.840 -2.061 20.662 10.673 -99.200 -91.000 TRP 25 1.040 -0.901 17.420 28.095 -99.200 -91.000 TRP6 25 1.020 -2.257 17.939 26.226 -99.200 -91.000 PHE 30 1.000 5.065 24.397 17.807 -99.200 -91.000 TYR 31 0.840 5.827 32.339 16.569 -99.200 -91.000 HIS 36 0.900 11.320 32.845 1.923 -99.200 -91.000 TRP 39 1.040 15.376 34.240 12.289 -99.200 -91.000 TRP6 39 1.020 16.959 34.471 14.020 -99.200 -91.000 PHE 42 1.000 11.669 24.775 18.093 -99.200 -91.000 PHE 43 1.000 7.436 31.266 21.443 -99.200 -91.000 PHE 44 1.000 6.387 22.865 24.536 -99.200 -91.000 HIS 45 0.900 4.698 30.165 26.498 -99.200 -91.000 TYR 46 0.840 3.319 22.373 30.527 -99.200 -91.000 TRP 54 1.040 -1.813 29.506 30.220 -99.200 -91.000 TRP6 54 1.020 -1.916 28.221 28.235 -99.200 -91.000 PHE 71 1.000 13.009 19.827 27.128 -99.200 -91.000 TYR 75 0.840 14.890 22.875 21.182 -99.200 -91.000 PHE 80 1.000 13.950 16.267 9.800 -99.200 -91.000 PHE 85 1.000 3.662 21.548 8.145 -99.200 -91.000 TYR 89 0.840 2.164 24.929 3.483 -99.200 -91.000 PHE 93 1.000 -0.277 22.562 -0.026 -99.200 -91.000 TRP 97 1.040 4.543 26.327 6.875 -99.200 -91.000 TRP6 97 1.020 6.262 26.512 8.494 -99.200 -91.000 PHE 100 1.000 3.339 25.441 12.322 -99.200 -91.000 PHE 104 1.000 -1.023 20.129 21.362 -99.200 -91.000 TYR 105 0.840 -8.333 23.587 23.269 -99.200 -91.000 PHE 110 1.000 -6.126 19.909 14.627 -99.200 -91.000 PHE 114 1.000 -0.081 26.200 8.419 -99.200 -91.000 TYR 115 0.840 -0.623 33.602 11.586 -99.200 -91.000 TYR 116 0.840 1.209 32.095 3.694 -99.200 -91.000 PHE 121 1.000 8.791 43.078 16.760 -99.200 -91.000 PHE 124 1.000 14.330 38.734 26.517 -99.200 -91.000 TRP 130 1.040 2.780 33.383 21.114 -99.200 -91.000 TRP6 130 1.020 2.188 32.261 23.116 -99.200 -91.000 TYR 132 0.840 0.829 43.472 25.546 -99.200 -91.000 HIS 134 0.900 -1.277 33.528 22.029 -99.200 -91.000 PHE 135 1.000 -0.532 32.769 27.989 -99.200 -91.000 PHE 143 1.000 17.545 43.327 29.084 -99.200 -91.000 TYR 144 0.840 13.479 38.954 31.245 -99.200 -91.000 TYR 151 0.840 4.321 43.388 20.148 -99.200 -91.000 TYR 161 0.840 4.233 43.639 14.682 -99.200 -91.000 PHE 163 1.000 4.441 37.871 13.239 -99.200 -91.000 HIS 168 0.900 -18.673 39.005 21.484 -99.200 -91.000 HIS 169 0.900 -19.094 45.992 18.389 -99.200 -91.000 HIS 170 0.900 -21.876 40.655 24.503 -99.200 -91.000 HIS 171 0.900 -17.445 47.744 29.958 -99.200 -91.000