============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 5 0.840 58.217 40.251 54.591 -99.200 -91.000 PHE 10 1.000 71.053 52.979 63.168 -99.200 -91.000 TYR 19 0.840 74.487 50.216 60.850 -99.200 -91.000 PHE 20 1.000 67.632 48.540 55.053 -99.200 -91.000 PHE 21 1.000 68.954 47.244 63.610 -99.200 -91.000 TYR 26 0.840 73.847 44.114 62.425 -99.200 -91.000 TYR 31 0.840 70.835 54.317 51.541 -99.200 -91.000 TYR 42 0.840 78.790 42.124 60.002 -99.200 -91.000 PHE 51 1.000 74.958 47.084 65.970 -99.200 -91.000 PHE 59 1.000 67.347 47.367 73.219 -99.200 -91.000 TYR 62 0.840 63.139 38.372 73.563 -99.200 -91.000 PHE 68 1.000 64.691 58.706 67.051 -99.200 -91.000 PHE 76 1.000 67.117 58.365 71.986 -99.200 -91.000 PHE 78 1.000 62.372 53.865 70.171 -99.200 -91.000 TYR 79 0.840 61.671 43.145 72.241 -99.200 -91.000 PHE 82 1.000 61.543 47.692 79.237 -99.200 -91.000 TYR 88 0.840 75.514 54.319 64.000 -99.200 -91.000 HIS 91 0.900 83.825 55.876 60.703 -99.200 -91.000 PHE 108 1.000 62.108 59.367 73.423 -99.200 -91.000 PHE 110 1.000 57.661 63.232 73.721 -99.200 -91.000 PHE 111 1.000 56.211 59.269 72.024 -99.200 -91.000 PHE 116 1.000 53.608 57.365 68.700 -99.200 -91.000 TYR 124 0.840 60.459 60.693 58.361 -99.200 -91.000 TYR 133 0.840 58.388 64.388 60.836 -99.200 -91.000 PHE 135 1.000 55.645 57.746 60.471 -99.200 -91.000 TYR 140 0.840 52.131 62.605 61.605 -99.200 -91.000 TYR 145 0.840 67.835 64.544 68.609 -99.200 -91.000 TYR 162 0.840 53.981 61.483 56.736 -99.200 -91.000 PHE 165 1.000 53.469 57.435 53.114 -99.200 -91.000 PHE 170 1.000 54.365 52.115 52.723 -99.200 -91.000 PHE 178 1.000 67.049 54.177 54.911 -99.200 -91.000 HIS 181 0.900 73.653 58.431 54.004 -99.200 -91.000 TYR 187 0.840 64.964 54.919 50.462 -99.200 -91.000 PHE 188 1.000 57.696 56.969 55.268 -99.200 -91.000 PHE 189 1.000 62.592 49.969 54.045 -99.200 -91.000 HIS 193 0.900 54.097 45.574 48.314 -99.200 -91.000 TYR 194 0.840 60.902 50.524 47.053 -99.200 -91.000 TYR 217 0.840 65.032 51.533 45.327 -99.200 -91.000 TRP 218 1.040 68.083 49.101 47.811 -99.200 -91.000 TRP6 218 1.020 66.687 49.617 49.619 -99.200 -91.000