============================================================================= 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 27 1.000 2.672 -11.061 -5.933 -99.200 -91.000 PHE 29 1.000 -3.139 -13.676 -5.762 -99.200 -91.000 TYR 32 0.840 2.070 -7.529 -2.056 -99.200 -91.000 TYR 33 0.840 -5.911 -3.418 -0.573 -99.200 -91.000 TRP 36 1.040 -8.691 -7.789 -13.274 -99.200 -91.000 TRP6 36 1.020 -7.462 -8.888 -14.967 -99.200 -91.000 TRP 47 1.040 -8.635 0.802 -10.215 -99.200 -91.000 TRP6 47 1.020 -10.719 1.049 -9.118 -99.200 -91.000 PHE 50 1.000 -9.345 -1.571 -4.173 -99.200 -91.000 TYR 58 0.840 -8.477 -12.998 0.642 -99.200 -91.000 TYR 62 0.840 -16.525 -4.781 -8.878 -99.200 -91.000 PHE 70 1.000 -16.399 -5.236 -17.196 -99.200 -91.000 PHE 80 1.000 -3.925 -18.623 -12.560 -99.200 -91.000 TYR 82 0.840 -9.663 -16.838 -12.161 -99.200 -91.000 TYR 96 0.840 -10.454 -5.184 -20.391 -99.200 -91.000 TYR 97 0.840 -1.866 -2.997 -19.783 -99.200 -91.000 TYR 109 0.840 0.360 1.689 2.328 -99.200 -91.000 TYR 114 0.840 7.069 -5.215 -9.282 -99.200 -91.000 TRP 115 1.040 1.309 -1.416 -13.956 -99.200 -91.000 TRP6 115 1.020 -0.691 -0.427 -14.733 -99.200 -91.000 TYR 134 0.840 -0.741 -11.934 -49.597 -99.200 -91.000 TYR 150 0.840 -4.574 -8.501 -38.515 -99.200 -91.000 PHE 151 1.000 -12.617 -7.736 -36.165 -99.200 -91.000 TRP 159 1.040 10.992 -8.929 -39.667 -99.200 -91.000 TRP6 159 1.020 10.662 -9.473 -41.939 -99.200 -91.000 HIS 169 0.900 11.564 1.292 -38.497 -99.200 -91.000 PHE 171 1.000 6.036 0.708 -41.278 -99.200 -91.000 TYR 180 0.840 -8.025 -4.211 -36.696 -99.200 -91.000 TRP 193 1.040 17.162 -11.267 -49.014 -99.200 -91.000 TRP6 193 1.020 16.412 -10.172 -50.964 -99.200 -91.000 HIS 204 0.900 -5.738 -13.364 -36.216 -99.200 -91.000