============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 1 0.840 144.416 24.949 103.318 -99.200 -91.000 TRP 8 1.040 133.203 16.198 101.699 -99.200 -91.000 TRP6 8 1.020 135.443 15.918 102.407 -99.200 -91.000 TYR 13 0.840 120.518 22.510 90.537 -99.200 -91.000 HIS 17 0.900 123.611 17.125 82.840 -99.200 -91.000 HIS 36 0.900 149.566 25.119 101.178 -99.200 -91.000 TYR 47 0.840 129.175 13.660 93.245 -99.200 -91.000 HIS 54 0.900 132.890 30.081 89.054 -99.200 -91.000 PHE 79 1.000 132.271 31.298 84.748 -99.200 -91.000 TYR 88 0.840 132.367 37.916 93.916 -99.200 -91.000 TRP 93 1.040 139.744 52.590 105.996 -99.200 -91.000 TRP6 93 1.020 139.698 52.647 108.358 -99.200 -91.000 HIS 95 0.900 131.334 56.438 105.130 -99.200 -91.000 TRP 111 1.040 156.817 34.879 89.407 -99.200 -91.000 TRP6 111 1.020 154.960 33.430 89.204 -99.200 -91.000 TYR 121 0.840 147.454 53.110 85.185 -99.200 -91.000 TYR 131 0.840 132.330 52.115 92.876 -99.200 -91.000 TYR 136 0.840 128.205 56.340 101.384 -99.200 -91.000 HIS 154 0.900 144.483 37.753 94.899 -99.200 -91.000 HIS 159 0.900 139.682 46.803 89.242 -99.200 -91.000 HIS 164 0.900 136.919 54.256 99.864 -99.200 -91.000 PHE 171 1.000 147.301 37.262 100.051 -99.200 -91.000 TYR 172 0.840 145.651 42.525 97.360 -99.200 -91.000 HIS 186 0.900 128.804 35.111 100.586 -99.200 -91.000 HIS 193 0.900 121.724 21.975 83.653 -99.200 -91.000 TYR 196 0.840 118.724 19.401 82.311 -99.200 -91.000 PHE 201 1.000 122.668 27.654 90.393 -99.200 -91.000 PHE 207 1.000 130.592 39.925 104.225 -99.200 -91.000