============================================================================= 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 5 1.000 28.290 -1.895 -33.279 -99.200 -91.000 HIS 7 0.900 34.093 7.638 -32.261 -99.200 -91.000 PHE 9 1.000 37.633 8.669 -29.986 -99.200 -91.000 PHE 14 1.000 32.102 -1.023 -28.511 -99.200 -91.000 PHE 23 1.000 24.424 -4.530 -42.906 -99.200 -91.000 PHE 35 1.000 14.582 -6.813 -58.137 -99.200 -91.000 PHE 49 1.000 12.315 -7.341 -71.506 -99.200 -91.000 PHE 64 1.000 23.592 3.279 -62.667 -99.200 -91.000 HIS 73 0.900 16.610 16.799 -55.464 -99.200 -91.000 HIS 102 0.900 11.864 -0.874 -60.477 -99.200 -91.000 PHE 103 1.000 6.695 -5.025 -67.658 -99.200 -91.000 HIS 132 0.900 39.195 -19.182 -36.103 -99.200 -91.000 HIS 146 0.900 40.842 -33.801 -18.416 -99.200 -91.000 TYR 152 0.840 32.556 -18.541 -7.079 -99.200 -91.000 TRP 170 1.040 31.952 -20.012 -20.943 -99.200 -91.000 TRP6 170 1.020 34.217 -20.342 -20.341 -99.200 -91.000 HIS 177 0.900 23.273 -19.875 -30.087 -99.200 -91.000 PHE 184 1.000 16.868 -16.980 -41.534 -99.200 -91.000 PHE 189 1.000 20.181 -15.109 -45.424 -99.200 -91.000 PHE 193 1.000 9.491 -9.885 -59.697 -99.200 -91.000 TRP 226 1.040 9.794 -11.755 -48.687 -99.200 -91.000 TRP6 226 1.020 11.318 -10.295 -47.624 -99.200 -91.000 HIS 227 0.900 6.013 -6.071 -51.799 -99.200 -91.000 PHE 236 1.000 20.073 -12.788 -40.286 -99.200 -91.000 PHE 250 1.000 34.238 -16.663 -23.641 -99.200 -91.000 PHE 282 1.000 23.235 -2.227 -30.197 -99.200 -91.000 HIS 291 0.900 10.227 -10.568 -32.137 -99.200 -91.000 TRP 305 1.040 10.600 -1.733 -45.788 -99.200 -91.000 TRP6 305 1.020 10.509 -0.523 -47.813 -99.200 -91.000 TRP 309 1.040 14.626 0.552 -44.578 -99.200 -91.000 TRP6 309 1.020 13.982 2.451 -45.837 -99.200 -91.000