============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 8 1.000 6.395 -18.532 -8.738 -99.200 -91.000 PHE 10 1.000 10.687 -19.687 -4.541 -99.200 -91.000 PHE 19 1.000 29.065 -12.599 -10.204 -99.200 -91.000 TYR 34 0.840 6.617 -21.576 -14.375 -99.200 -91.000 HIS 43 0.900 27.211 -11.295 -5.222 -99.200 -91.000 TYR 52 0.840 28.495 -9.746 -17.518 -99.200 -91.000 HIS 65 0.900 13.961 -23.353 -32.253 -99.200 -91.000 PHE 67 1.000 15.359 -28.547 -30.998 -99.200 -91.000 PHE 68 1.000 17.695 -21.238 -28.827 -99.200 -91.000 TYR 72 0.840 7.439 -20.689 -19.572 -99.200 -91.000 PHE 73 1.000 7.275 -16.786 -13.928 -99.200 -91.000 PHE 75 1.000 8.914 -13.316 -9.148 -99.200 -91.000 TYR 82 0.840 12.607 -13.586 -6.691 -99.200 -91.000 PHE 83 1.000 16.790 -13.364 -15.363 -99.200 -91.000 TYR 87 0.840 12.882 -29.253 -13.374 -99.200 -91.000 TYR 96 0.840 22.394 -37.094 -19.544 -99.200 -91.000 PHE 103 1.000 26.233 -38.015 -26.268 -99.200 -91.000 PHE 110 1.000 17.354 -36.241 -31.787 -99.200 -91.000 TYR 111 0.840 20.821 -35.538 -27.866 -99.200 -91.000 TYR 121 0.840 14.294 -18.788 -32.997 -99.200 -91.000 HIS 123 0.900 24.425 -18.073 -35.556 -99.200 -91.000 HIS 129 0.900 24.872 -19.401 -26.005 -99.200 -91.000 HIS 144 0.900 13.212 -33.668 -28.457 -99.200 -91.000 PHE 150 1.000 20.163 -17.753 -24.883 -99.200 -91.000 PHE 167 1.000 38.437 -12.469 -24.142 -99.200 -91.000 TYR 173 0.840 33.549 -25.787 -25.120 -99.200 -91.000 TRP 191 1.040 36.480 -22.352 -32.496 -99.200 -91.000 TRP6 191 1.020 38.332 -22.710 -33.919 -99.200 -91.000 TYR 198 0.840 38.114 -33.522 -31.037 -99.200 -91.000 PHE 207 1.000 41.241 -26.144 -30.809 -99.200 -91.000 PHE 216 1.000 42.656 -17.835 -23.813 -99.200 -91.000 TYR 224 0.840 41.285 -30.014 -34.596 -99.200 -91.000 PHE 226 1.000 39.299 -34.545 -36.420 -99.200 -91.000 PHE 230 1.000 35.702 -37.175 -34.477 -99.200 -91.000 PHE 231 1.000 31.068 -42.122 -34.614 -99.200 -91.000 TYR 258 0.840 22.841 -21.964 -39.481 -99.200 -91.000 HIS 264 0.900 29.355 -32.725 -43.670 -99.200 -91.000 PHE 266 1.000 27.493 -36.275 -38.079 -99.200 -91.000 PHE 267 1.000 24.232 -32.180 -39.600 -99.200 -91.000 TRP 272 1.040 17.995 -30.968 -41.527 -99.200 -91.000 TRP6 272 1.020 19.488 -30.373 -39.789 -99.200 -91.000 HIS 276 0.900 9.169 -29.121 -32.130 -99.200 -91.000