============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 5 0.840 1.069 54.073 18.682 -99.200 -91.000 PHE 9 1.000 -7.128 64.107 23.935 -99.200 -91.000 HIS 14 0.900 -3.606 58.903 39.775 -99.200 -91.000 PHE 23 1.000 -6.161 52.453 26.577 -99.200 -91.000 TRP 29 1.040 -15.402 53.696 30.814 -99.200 -91.000 TRP6 29 1.020 -16.001 55.994 30.883 -99.200 -91.000 TRP 42 1.040 -7.583 59.050 33.934 -99.200 -91.000 TRP6 42 1.020 -7.049 61.255 34.640 -99.200 -91.000 TYR 45 0.840 -12.576 55.682 22.167 -99.200 -91.000 PHE 49 1.000 -11.388 62.938 37.473 -99.200 -91.000 HIS 56 0.900 -6.853 49.177 47.915 -99.200 -91.000 TRP 65 1.040 -10.315 48.359 33.016 -99.200 -91.000 TRP6 65 1.020 -12.227 49.703 33.416 -99.200 -91.000 TRP 84 1.040 -11.877 49.319 43.692 -99.200 -91.000 TRP6 84 1.020 -12.172 50.728 45.563 -99.200 -91.000 HIS 98 0.900 -1.595 37.906 48.442 -99.200 -91.000 TYR 101 0.840 4.761 46.510 51.215 -99.200 -91.000 PHE 103 1.000 5.127 44.914 42.459 -99.200 -91.000 PHE 107 1.000 -11.854 41.247 37.709 -99.200 -91.000 PHE 119 1.000 7.321 43.635 47.351 -99.200 -91.000 TRP 126 1.040 -7.579 36.696 45.852 -99.200 -91.000 TRP6 126 1.020 -7.700 36.936 48.208 -99.200 -91.000 HIS 140 0.900 7.349 32.822 41.389 -99.200 -91.000 HIS 148 0.900 -1.944 37.788 30.944 -99.200 -91.000 PHE 149 1.000 -6.691 33.717 35.932 -99.200 -91.000 TYR 161 0.840 11.801 42.294 42.399 -99.200 -91.000 TRP 168 1.040 1.857 29.026 38.942 -99.200 -91.000 TRP6 168 1.020 2.638 27.760 40.800 -99.200 -91.000 PHE 188 1.000 4.215 42.683 32.241 -99.200 -91.000 PHE 191 1.000 -0.123 32.366 29.952 -99.200 -91.000 TYR 197 0.840 4.595 32.299 20.668 -99.200 -91.000 TRP 210 1.040 11.571 33.316 28.041 -99.200 -91.000 TRP6 210 1.020 13.425 31.854 28.007 -99.200 -91.000 TYR 212 0.840 3.593 28.433 27.961 -99.200 -91.000 TYR 221 0.840 10.875 41.531 21.306 -99.200 -91.000 HIS 224 0.900 13.903 47.754 27.494 -99.200 -91.000 TYR 229 0.840 11.714 52.624 39.443 -99.200 -91.000 PHE 232 1.000 1.930 47.111 34.798 -99.200 -91.000 PHE 235 1.000 2.743 39.519 23.608 -99.200 -91.000 TRP 242 1.040 3.435 48.158 16.359 -99.200 -91.000 TRP6 242 1.020 4.732 47.981 14.387 -99.200 -91.000 TYR 253 0.840 13.311 52.550 24.433 -99.200 -91.000 TRP 255 1.040 12.233 46.697 21.115 -99.200 -91.000 TRP6 255 1.020 11.429 47.291 23.277 -99.200 -91.000 HIS 269 0.900 4.766 60.035 30.303 -99.200 -91.000 HIS 279 0.900 -9.071 51.640 22.433 -99.200 -91.000 TRP 299 1.040 1.901 58.383 24.083 -99.200 -91.000 TRP6 299 1.020 3.610 59.980 23.623 -99.200 -91.000