============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. TYR 6 0.840 6.641 23.238 20.389 -99.200 -91.000 PHE 7 1.000 3.527 24.686 28.708 -99.200 -91.000 TYR 9 0.840 6.663 30.276 33.114 -99.200 -91.000 PHE 14 1.000 9.197 26.318 28.477 -99.200 -91.000 TYR 19 0.840 9.795 20.652 29.252 -99.200 -91.000 PHE 39 1.000 21.706 25.021 38.795 -99.200 -91.000 TYR 43 0.840 17.747 26.284 20.961 -99.200 -91.000 TRP 50 1.040 30.818 14.788 24.506 -99.200 -91.000 TRP6 50 1.020 31.618 15.760 22.500 -99.200 -91.000 TRP 66 1.040 25.922 8.130 39.463 -99.200 -91.000 TRP6 66 1.020 26.242 10.463 39.309 -99.200 -91.000 TRP 73 1.040 15.994 9.419 32.530 -99.200 -91.000 TRP6 73 1.020 16.536 7.795 30.902 -99.200 -91.000 TRP 78 1.040 16.263 16.985 31.596 -99.200 -91.000 TRP6 78 1.020 17.763 18.201 30.232 -99.200 -91.000 PHE 86 1.000 15.524 23.650 40.965 -99.200 -91.000 HIS 98 0.900 17.902 21.541 27.081 -99.200 -91.000 PHE 104 1.000 19.235 28.447 35.752 -99.200 -91.000 PHE 108 1.000 23.494 31.376 38.089 -99.200 -91.000 PHE 109 1.000 20.081 35.418 36.951 -99.200 -91.000 TYR 117 0.840 24.481 28.678 26.837 -99.200 -91.000 TYR 130 0.840 14.110 16.890 9.267 -99.200 -91.000 HIS 131 0.900 17.841 13.473 10.538 -99.200 -91.000 TYR 132 0.840 15.069 14.417 20.624 -99.200 -91.000 PHE 148 1.000 13.184 21.570 12.619 -99.200 -91.000 PHE 152 1.000 17.123 26.540 14.989 -99.200 -91.000 PHE 159 1.000 13.280 23.958 26.581 -99.200 -91.000 TRP 162 1.040 21.392 28.311 18.874 -99.200 -91.000 TRP6 162 1.020 22.920 29.877 17.993 -99.200 -91.000 PHE 163 1.000 19.921 33.172 15.163 -99.200 -91.000 HIS 165 0.900 19.129 28.821 25.509 -99.200 -91.000 TRP 169 1.040 21.458 30.847 29.545 -99.200 -91.000 TRP6 169 1.020 22.025 30.718 31.839 -99.200 -91.000 PHE 178 1.000 28.428 31.595 31.582 -99.200 -91.000 PHE 180 1.000 30.088 29.967 24.939 -99.200 -91.000 TYR 183 0.840 28.896 18.370 19.157 -99.200 -91.000 PHE 200 1.000 33.154 26.784 35.789 -99.200 -91.000 HIS 216 0.900 34.294 4.207 30.624 -99.200 -91.000 PHE 219 1.000 28.072 9.105 18.505 -99.200 -91.000 TYR 230 0.840 18.775 10.367 26.599 -99.200 -91.000 HIS 240 0.900 14.241 3.283 22.661 -99.200 -91.000 PHE 245 1.000 19.140 12.294 23.319 -99.200 -91.000 TRP 254 1.040 26.726 22.909 8.678 -99.200 -91.000 TRP6 254 1.020 26.493 24.497 6.943 -99.200 -91.000 HIS 257 0.900 18.351 18.954 7.462 -99.200 -91.000 PHE 258 1.000 20.889 24.297 7.375 -99.200 -91.000 PHE 266 1.000 21.496 29.319 10.406 -99.200 -91.000 TYR 270 0.840 25.465 33.160 13.084 -99.200 -91.000 PHE 280 1.000 29.514 32.592 19.536 -99.200 -91.000 TRP 282 1.040 28.986 28.555 15.514 -99.200 -91.000 TRP6 282 1.020 28.888 28.039 17.817 -99.200 -91.000