============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. PHE 5 1.000 0.425 -7.330 28.978 -99.200 -91.000 TYR 7 0.840 -3.985 -11.180 24.614 -99.200 -91.000 HIS 8 0.900 1.925 -16.689 23.416 -99.200 -91.000 TYR 20 0.840 -11.724 -20.532 39.689 -99.200 -91.000 TRP 25 1.040 -19.181 -14.545 31.705 -99.200 -91.000 TRP6 25 1.020 -20.014 -15.169 29.646 -99.200 -91.000 HIS 51 0.900 -13.539 -24.874 28.372 -99.200 -91.000 PHE 61 1.000 -10.872 -8.462 11.386 -99.200 -91.000 HIS 65 0.900 -8.770 -4.346 6.721 -99.200 -91.000 TRP 66 1.040 -16.332 -5.471 13.382 -99.200 -91.000 TRP6 66 1.020 -15.953 -7.802 13.510 -99.200 -91.000 PHE 76 1.000 -20.534 -11.545 0.050 -99.200 -91.000 PHE 89 1.000 -24.421 -18.483 -11.817 -99.200 -91.000 PHE 103 1.000 -24.729 -33.447 0.246 -99.200 -91.000 HIS 111 0.900 -32.310 -25.332 -8.640 -99.200 -91.000 TYR 132 0.840 -15.971 -11.105 5.029 -99.200 -91.000 PHE 153 1.000 -19.355 -22.656 16.687 -99.200 -91.000 HIS 164 0.900 -12.589 -13.095 24.146 -99.200 -91.000 TYR 171 0.840 -8.800 -10.686 35.473 -99.200 -91.000 PHE 174 1.000 -4.897 -5.929 37.391 -99.200 -91.000 TRP 199 1.040 -44.798 -18.997 13.509 -99.200 -91.000 TRP6 199 1.020 -46.111 -17.496 14.802 -99.200 -91.000 TYR 202 0.840 -47.377 -20.570 6.143 -99.200 -91.000 TYR 221 0.840 -26.506 -28.699 25.760 -99.200 -91.000 HIS 224 0.900 -32.000 -28.477 22.844 -99.200 -91.000 TYR 225 0.840 -29.814 -18.218 24.380 -99.200 -91.000 HIS 234 0.900 -38.879 -13.677 18.907 -99.200 -91.000 HIS 235 0.900 -45.263 -15.160 24.103 -99.200 -91.000 TYR 269 0.840 -32.523 -22.489 12.403 -99.200 -91.000 PHE 270 1.000 -33.511 -27.696 5.721 -99.200 -91.000 TYR 274 0.840 -24.284 -29.259 7.990 -99.200 -91.000 TYR 279 0.840 -29.356 -35.415 2.952 -99.200 -91.000 TRP 285 1.040 -30.578 -38.207 -0.451 -99.200 -91.000 TRP6 285 1.020 -29.949 -35.935 -0.789 -99.200 -91.000 TYR 304 0.840 -31.743 -17.611 -0.137 -99.200 -91.000 HIS 305 0.900 -27.808 -27.352 0.807 -99.200 -91.000 PHE 325 1.000 -26.083 -13.962 -10.968 -99.200 -91.000 HIS 331 0.900 -24.557 -2.224 -2.774 -99.200 -91.000 PHE 339 1.000 -16.288 -11.905 -5.084 -99.200 -91.000 TRP 343 1.040 -7.640 -18.714 -10.501 -99.200 -91.000 TRP6 343 1.020 -6.439 -18.425 -8.477 -99.200 -91.000 PHE 361 1.000 -2.276 -21.867 -6.160 -99.200 -91.000 TYR 375 0.840 -5.616 -26.547 3.710 -99.200 -91.000 TYR 392 0.840 -11.462 -32.384 -5.129 -99.200 -91.000 PHE 399 1.000 0.002 -18.386 3.349 -99.200 -91.000 TRP 413 1.040 -3.012 -21.957 31.427 -99.200 -91.000 TRP6 413 1.020 -0.821 -21.199 30.733 -99.200 -91.000 HIS 417 0.900 3.222 -17.073 18.827 -99.200 -91.000 PHE 425 1.000 -23.646 -15.761 12.841 -99.200 -91.000 TYR 428 0.840 -32.843 -10.932 1.484 -99.200 -91.000 TYR 443 0.840 -18.593 -10.229 16.975 -99.200 -91.000 TYR 453 0.840 -2.081 -28.374 5.874 -99.200 -91.000 PHE 461 1.000 -8.196 -31.102 13.525 -99.200 -91.000 TYR 468 0.840 -8.684 -4.299 22.314 -99.200 -91.000