============================================================================= 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 4 0.840 -106.927 73.317 9.845 -99.200 -91.000 TYR 7 0.840 -105.517 67.777 22.129 -99.200 -91.000 TRP 12 1.040 -104.393 72.332 19.980 -99.200 -91.000 TRP6 12 1.020 -105.732 71.102 18.469 -99.200 -91.000 TYR 22 0.840 -103.684 72.049 -2.846 -99.200 -91.000 TYR 43 0.840 -94.245 63.785 23.211 -99.200 -91.000 TYR 45 0.840 -98.398 55.017 18.180 -99.200 -91.000 TRP 55 1.040 -109.409 57.124 29.144 -99.200 -91.000 TRP6 55 1.020 -110.676 59.093 29.478 -99.200 -91.000 TYR 60 0.840 -116.676 50.903 32.963 -99.200 -91.000 TYR 66 0.840 -113.025 64.010 31.024 -99.200 -91.000 HIS 68 0.900 -123.208 61.446 27.400 -99.200 -91.000 TYR 93 0.840 -123.391 73.413 4.934 -99.200 -91.000 TYR 109 0.840 -126.771 53.489 21.245 -99.200 -91.000 PHE 127 1.000 -116.004 21.083 31.968 -99.200 -91.000 PHE 152 1.000 -113.058 58.897 -0.383 -99.200 -91.000 TYR 154 0.840 -119.870 58.049 5.664 -99.200 -91.000 PHE 175 1.000 -109.268 60.444 13.631 -99.200 -91.000 PHE 192 1.000 -112.859 63.161 20.748 -99.200 -91.000 PHE 202 1.000 -108.882 62.606 19.807 -99.200 -91.000 TYR 215 0.840 -92.440 54.227 13.137 -99.200 -91.000 HIS 219 0.900 -94.399 52.538 18.186 -99.200 -91.000 PHE 224 1.000 -109.080 46.578 18.223 -99.200 -91.000 PHE 227 1.000 -107.885 50.499 7.061 -99.200 -91.000 PHE 276 1.000 -126.906 55.888 -9.619 -99.200 -91.000 TYR 278 0.840 -119.272 61.188 -0.545 -99.200 -91.000 TYR 332 0.840 -110.917 51.098 -10.065 -99.200 -91.000 PHE 363 1.000 -122.031 50.929 -18.368 -99.200 -91.000 TRP 374 1.040 -117.329 39.552 -11.292 -99.200 -91.000 TRP6 374 1.020 -118.686 38.106 -10.001 -99.200 -91.000 PHE 378 1.000 -115.739 54.108 -2.137 -99.200 -91.000 TYR 402 0.840 -114.911 43.745 -2.775 -99.200 -91.000 PHE 409 1.000 -134.935 45.913 -2.715 -99.200 -91.000 PHE 413 1.000 -140.554 40.613 5.115 -99.200 -91.000 PHE 417 1.000 -135.546 36.336 8.838 -99.200 -91.000 HIS 429 0.900 -130.087 46.829 5.721 -99.200 -91.000 PHE 441 1.000 -130.677 47.894 13.722 -99.200 -91.000 PHE 443 1.000 -120.621 48.443 8.554 -99.200 -91.000 TYR 458 0.840 -123.075 43.862 17.771 -99.200 -91.000 PHE 471 1.000 -113.782 34.338 45.095 -99.200 -91.000