============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 3 0.840 77.175 84.249 7.446 -99.200 -91.000 PHE 4 1.000 70.277 84.713 7.470 -99.200 -91.000 PHE 10 1.000 57.784 84.826 17.688 -99.200 -91.000 PHE 13 1.000 61.789 85.691 12.967 -99.200 -91.000 PHE 22 1.000 49.260 93.511 15.940 -99.200 -91.000 PHE 25 1.000 43.828 89.300 10.074 -99.200 -91.000 TYR 35 0.840 45.929 87.220 17.915 -99.200 -91.000 PHE 36 1.000 47.568 85.176 9.329 -99.200 -91.000 PHE 37 1.000 52.021 83.405 15.857 -99.200 -91.000 PHE 42 1.000 58.310 83.137 11.801 -99.200 -91.000 TYR 54 0.840 62.828 84.630 18.709 -99.200 -91.000 TYR 55 0.840 58.996 76.331 18.850 -99.200 -91.000 TYR 66 0.840 64.129 68.425 28.079 -99.200 -91.000 PHE 70 1.000 56.613 62.422 20.071 -99.200 -91.000 TYR 74 0.840 52.470 64.397 8.143 -99.200 -91.000 TYR 91 0.840 71.647 78.643 22.034 -99.200 -91.000 TYR 97 0.840 66.929 63.826 16.087 -99.200 -91.000 PHE 99 1.000 62.190 63.731 14.003 -99.200 -91.000 PHE 106 1.000 56.551 56.209 19.407 -99.200 -91.000 PHE 129 1.000 49.290 66.163 26.184 -99.200 -91.000 TYR 130 0.840 43.356 63.229 26.227 -99.200 -91.000 TYR 133 0.840 48.532 60.225 28.546 -99.200 -91.000 PHE 171 1.000 46.913 64.512 30.039 -99.200 -91.000 PHE 181 1.000 44.599 88.517 23.766 -99.200 -91.000 PHE 185 1.000 45.483 94.103 25.685 -99.200 -91.000 TYR 187 0.840 53.978 95.715 18.480 -99.200 -91.000 PHE 200 1.000 44.958 92.403 20.169 -99.200 -91.000 TYR 203 0.840 39.340 87.098 19.965 -99.200 -91.000 TYR 207 0.840 35.120 84.749 21.050 -99.200 -91.000