============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 3 1.040 38.652 -22.144 19.235 -99.200 -91.000 TRP6 3 1.020 37.159 -23.974 19.427 -99.200 -91.000 PHE 9 1.000 46.608 -38.781 21.817 -99.200 -91.000 TRP 13 1.040 38.721 -34.289 18.548 -99.200 -91.000 TRP6 13 1.020 39.721 -33.143 16.738 -99.200 -91.000 PHE 15 1.000 42.876 -27.471 26.640 -99.200 -91.000 TRP 16 1.040 49.296 -30.269 23.233 -99.200 -91.000 TRP6 16 1.020 51.057 -31.501 24.218 -99.200 -91.000 PHE 22 1.000 47.229 -34.363 24.105 -99.200 -91.000 HIS 27 0.900 36.586 -45.463 23.283 -99.200 -91.000 PHE 36 1.000 50.987 -42.296 23.349 -99.200 -91.000 PHE 37 1.000 51.200 -35.463 20.984 -99.200 -91.000 HIS 47 0.900 46.943 -39.443 37.527 -99.200 -91.000 PHE 52 1.000 41.716 -35.866 33.226 -99.200 -91.000 PHE 55 1.000 48.955 -39.481 27.051 -99.200 -91.000 PHE 57 1.000 54.131 -35.879 26.022 -99.200 -91.000 HIS 112 0.900 35.683 -38.796 39.773 -99.200 -91.000 TYR 140 0.840 32.720 -30.869 28.999 -99.200 -91.000 TYR 142 0.840 35.494 -22.805 35.507 -99.200 -91.000 TRP 148 1.040 40.770 -18.178 29.334 -99.200 -91.000 TRP6 148 1.020 38.540 -18.694 28.756 -99.200 -91.000 HIS 154 0.900 31.572 -34.982 25.075 -99.200 -91.000