============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. HIS 8 0.900 15.767 80.671 51.455 -99.200 -91.000 HIS 12 0.900 10.930 86.674 61.734 -99.200 -91.000 PHE 15 1.000 16.675 77.898 69.447 -99.200 -91.000 PHE 17 1.000 18.853 71.335 68.548 -99.200 -91.000 TYR 20 0.840 24.985 65.140 63.290 -99.200 -91.000 TRP 33 1.040 17.619 66.606 70.075 -99.200 -91.000 TRP6 33 1.020 17.323 66.759 67.727 -99.200 -91.000 TRP 46 1.040 18.806 78.825 58.313 -99.200 -91.000 TRP6 46 1.020 18.420 77.534 56.373 -99.200 -91.000 HIS 53 0.900 19.262 71.607 60.052 -99.200 -91.000 TRP 54 1.040 13.895 75.976 56.115 -99.200 -91.000 TRP6 54 1.020 13.356 78.129 56.972 -99.200 -91.000 TYR 66 0.840 8.911 62.895 58.931 -99.200 -91.000 TYR 69 0.840 3.902 61.111 48.508 -99.200 -91.000 HIS 71 0.900 4.280 71.071 48.357 -99.200 -91.000 PHE 72 1.000 7.605 69.822 53.611 -99.200 -91.000 PHE 78 1.000 20.535 59.749 57.736 -99.200 -91.000 TYR 87 0.840 19.675 57.298 53.982 -99.200 -91.000 PHE 89 1.000 21.850 52.693 54.189 -99.200 -91.000 PHE 102 1.000 12.653 48.887 45.768 -99.200 -91.000 PHE 141 1.000 20.308 47.653 79.900 -99.200 -91.000 TYR 145 0.840 19.076 42.764 77.861 -99.200 -91.000 PHE 149 1.000 16.743 41.111 73.774 -99.200 -91.000 PHE 154 1.000 20.014 42.938 61.295 -99.200 -91.000 HIS 167 0.900 34.179 46.468 59.743 -99.200 -91.000 TYR 170 0.840 34.332 52.965 63.257 -99.200 -91.000 PHE 184 1.000 25.223 58.265 55.211 -99.200 -91.000 TYR 192 0.840 25.687 50.592 50.183 -99.200 -91.000 TYR 194 0.840 29.638 42.456 56.837 -99.200 -91.000 PHE 247 1.000 12.625 52.996 73.852 -99.200 -91.000 PHE 250 1.000 18.180 57.721 75.066 -99.200 -91.000 PHE 254 1.000 11.059 56.687 83.959 -99.200 -91.000 HIS 261 0.900 7.316 56.297 86.704 -99.200 -91.000 PHE 283 1.000 12.983 58.252 78.891 -99.200 -91.000 TYR 296 0.840 4.326 73.782 50.778 -99.200 -91.000 PHE 298 1.000 4.944 72.896 56.616 -99.200 -91.000 HIS 299 0.900 1.934 74.927 59.696 -99.200 -91.000 HIS 328 0.900 5.656 65.582 85.142 -99.200 -91.000 PHE 331 1.000 5.559 53.081 83.157 -99.200 -91.000 HIS 338 0.900 4.771 56.866 69.557 -99.200 -91.000 PHE 341 1.000 8.412 51.987 66.849 -99.200 -91.000 HIS 343 0.900 2.321 61.062 60.717 -99.200 -91.000 HIS 346 0.900 9.871 56.763 53.254 -99.200 -91.000 HIS 352 0.900 4.441 45.497 63.654 -99.200 -91.000 TRP 365 1.040 16.588 44.384 84.545 -99.200 -91.000 TRP6 365 1.020 18.758 44.126 83.652 -99.200 -91.000 PHE 372 1.000 16.613 48.233 87.244 -99.200 -91.000 HIS 382 0.900 20.706 60.860 78.044 -99.200 -91.000 TRP 397 1.040 21.511 43.175 90.498 -99.200 -91.000 TRP6 397 1.020 22.345 43.949 88.412 -99.200 -91.000