============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 9 1.000 45.176 36.748 21.965 -99.200 -91.000 PHE 17 1.000 50.205 39.497 23.412 -99.200 -91.000 TYR 39 0.840 39.172 35.458 14.118 -99.200 -91.000 TYR 42 0.840 39.909 41.307 12.772 -99.200 -91.000 TYR 46 0.840 42.481 46.407 12.849 -99.200 -91.000 HIS 50 0.900 39.972 48.168 26.716 -99.200 -91.000 PHE 53 1.000 49.885 45.318 20.510 -99.200 -91.000 HIS 63 0.900 57.002 30.637 12.790 -99.200 -91.000 TRP 84 1.040 50.993 25.218 28.855 -99.200 -91.000 TRP6 84 1.020 50.499 27.027 27.399 -99.200 -91.000 PHE 99 1.000 39.756 23.786 29.892 -99.200 -91.000 HIS 108 0.900 46.585 25.176 31.260 -99.200 -91.000 PHE 129 1.000 46.146 33.112 47.137 -99.200 -91.000 PHE 135 1.000 47.965 39.569 44.593 -99.200 -91.000 TYR 138 0.840 51.590 31.695 46.055 -99.200 -91.000 PHE 164 1.000 35.384 54.183 59.095 -99.200 -91.000 HIS 175 0.900 30.003 43.213 35.102 -99.200 -91.000 HIS 189 0.900 21.786 24.887 29.377 -99.200 -91.000 TRP 192 1.040 15.684 29.623 32.003 -99.200 -91.000 TRP6 192 1.020 13.468 29.009 32.579 -99.200 -91.000 PHE 229 1.000 19.516 45.486 39.293 -99.200 -91.000 TYR 251 0.840 30.506 59.855 51.633 -99.200 -91.000 TYR 272 0.840 38.896 60.133 47.683 -99.200 -91.000 PHE 282 1.000 36.396 55.814 36.909 -99.200 -91.000 PHE 290 1.000 34.718 56.204 48.416 -99.200 -91.000 PHE 302 1.000 21.522 51.251 56.019 -99.200 -91.000 TRP 308 1.040 32.821 54.841 39.093 -99.200 -91.000 TRP6 308 1.020 31.103 54.463 37.505 -99.200 -91.000 TYR 309 0.840 33.814 46.179 38.837 -99.200 -91.000 TYR 315 0.840 40.135 38.922 36.797 -99.200 -91.000 HIS 325 0.900 52.521 37.877 46.247 -99.200 -91.000