============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 3 0.840 8.753 29.583 26.690 -99.200 -91.000 PHE 24 1.000 12.357 29.002 29.183 -99.200 -91.000 TYR 27 0.840 14.974 33.897 34.241 -99.200 -91.000 TYR 31 0.840 4.263 27.090 25.597 -99.200 -91.000 PHE 48 1.000 16.160 20.363 16.137 -99.200 -91.000 PHE 52 1.000 13.193 22.177 9.129 -99.200 -91.000 HIS 53 0.900 9.896 18.737 8.075 -99.200 -91.000 TYR 55 0.840 6.455 26.055 15.694 -99.200 -91.000 PHE 64 1.000 13.548 25.328 14.664 -99.200 -91.000 HIS 68 0.900 21.507 14.427 24.346 -99.200 -91.000 HIS 71 0.900 17.415 5.696 22.180 -99.200 -91.000 PHE 74 1.000 25.384 13.556 14.610 -99.200 -91.000 TYR 75 0.840 19.592 17.846 13.095 -99.200 -91.000 TRP 78 1.040 21.565 22.909 25.416 -99.200 -91.000 TRP6 78 1.020 22.840 24.015 27.065 -99.200 -91.000 TYR 95 0.840 19.888 33.434 21.937 -99.200 -91.000 TYR 100 0.840 24.369 23.171 11.424 -99.200 -91.000 TYR 109 0.840 2.390 16.387 -8.093 -99.200 -91.000 TYR 113 0.840 6.739 17.959 -0.491 -99.200 -91.000 PHE 128 1.000 14.157 5.272 -8.375 -99.200 -91.000 HIS 138 0.900 20.804 11.128 -19.570 -99.200 -91.000 PHE 139 1.000 26.556 12.203 -13.666 -99.200 -91.000 PHE 142 1.000 19.972 4.637 -8.926 -99.200 -91.000 TYR 158 0.840 17.780 6.149 3.847 -99.200 -91.000 HIS 168 0.900 31.808 22.499 9.734 -99.200 -91.000 TYR 187 0.840 20.166 -2.503 -17.316 -99.200 -91.000 PHE 196 1.000 24.962 17.124 -7.611 -99.200 -91.000 HIS 199 0.900 22.969 30.141 -6.613 -99.200 -91.000 HIS 200 0.900 26.389 22.889 -9.909 -99.200 -91.000 PHE 212 1.000 9.054 8.095 -9.737 -99.200 -91.000 HIS 223 0.900 4.545 13.390 -3.853 -99.200 -91.000 TYR 231 0.840 15.916 15.706 -4.686 -99.200 -91.000 HIS 239 0.900 18.573 31.535 10.862 -99.200 -91.000 PHE 240 1.000 20.498 23.936 14.425 -99.200 -91.000 PHE 243 1.000 21.699 29.490 24.939 -99.200 -91.000 PHE 246 1.000 28.429 18.664 21.220 -99.200 -91.000 PHE 248 1.000 29.010 17.923 11.311 -99.200 -91.000 TRP 249 1.040 34.859 18.301 11.504 -99.200 -91.000 TRP6 249 1.020 33.849 16.820 9.974 -99.200 -91.000 HIS 253 0.900 35.276 11.330 19.861 -99.200 -91.000 PHE 256 1.000 27.770 8.614 13.358 -99.200 -91.000