============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 5 0.840 5.204 21.434 -10.669 -99.200 -91.000 TYR 6 0.840 7.811 12.954 -4.363 -99.200 -91.000 PHE 7 1.000 5.476 16.886 -0.331 -99.200 -91.000 PHE 20 1.000 11.040 13.110 -17.123 -99.200 -91.000 TYR 22 0.840 17.856 4.262 -20.807 -99.200 -91.000 TYR 27 0.840 13.586 16.152 -14.748 -99.200 -91.000 PHE 32 1.000 5.713 21.085 -4.313 -99.200 -91.000 PHE 39 1.000 0.126 21.047 4.986 -99.200 -91.000 PHE 42 1.000 0.973 18.751 -1.656 -99.200 -91.000 PHE 45 1.000 1.774 21.490 -7.443 -99.200 -91.000 PHE 53 1.000 -6.789 10.848 -8.488 -99.200 -91.000 TYR 75 0.840 2.246 10.087 -21.522 -99.200 -91.000 TYR 80 0.840 9.906 9.893 -24.665 -99.200 -91.000 PHE 91 1.000 1.572 -10.116 -17.259 -99.200 -91.000 TYR 92 0.840 6.262 -12.542 -18.984 -99.200 -91.000 PHE 97 1.000 6.492 0.463 -11.545 -99.200 -91.000 HIS 104 0.900 11.150 1.166 -3.258 -99.200 -91.000 TYR 105 0.840 2.923 -0.530 2.005 -99.200 -91.000 PHE 107 1.000 14.174 -0.013 2.408 -99.200 -91.000 PHE 117 1.000 12.728 -5.272 4.285 -99.200 -91.000 TRP 125 1.040 8.699 -10.044 -1.683 -99.200 -91.000 TRP6 125 1.020 7.371 -9.538 -3.561 -99.200 -91.000 TYR 128 0.840 9.215 -14.252 -4.139 -99.200 -91.000 PHE 129 1.000 11.935 -8.156 -7.548 -99.200 -91.000 HIS 137 0.900 18.784 -18.857 -19.899 -99.200 -91.000 TYR 145 0.840 23.962 -9.687 -16.005 -99.200 -91.000 TYR 146 0.840 19.053 -5.194 -21.297 -99.200 -91.000 PHE 147 1.000 14.833 -7.892 -13.212 -99.200 -91.000 TYR 154 0.840 7.626 -0.113 -16.964 -99.200 -91.000 PHE 160 1.000 20.228 1.908 -9.932 -99.200 -91.000 TYR 163 0.840 16.840 -5.651 -4.473 -99.200 -91.000 TYR 170 0.840 18.247 -2.764 6.150 -99.200 -91.000 PHE 177 1.000 19.180 -12.947 -2.902 -99.200 -91.000 HIS 183 0.900 18.800 -5.315 -13.359 -99.200 -91.000 PHE 186 1.000 23.348 -3.437 -18.333 -99.200 -91.000 TYR 196 0.840 19.283 11.083 -11.280 -99.200 -91.000