============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 4 1.000 7.674 -5.013 53.037 -99.200 -91.000 TYR 7 0.840 9.695 6.469 56.692 -99.200 -91.000 TYR 14 0.840 2.143 10.102 51.170 -99.200 -91.000 PHE 15 1.000 6.006 5.739 50.608 -99.200 -91.000 PHE 19 1.000 -0.458 -0.218 53.657 -99.200 -91.000 PHE 23 1.000 2.134 2.727 49.016 -99.200 -91.000 TRP 25 1.040 5.243 2.684 43.193 -99.200 -91.000 TRP6 25 1.020 6.359 2.378 41.124 -99.200 -91.000 TYR 31 0.840 17.417 3.336 32.344 -99.200 -91.000 PHE 36 1.000 12.677 9.120 27.586 -99.200 -91.000 HIS 40 0.900 -0.873 3.436 38.437 -99.200 -91.000 TYR 51 0.840 4.045 -4.592 46.611 -99.200 -91.000 PHE 60 1.000 15.218 1.103 28.173 -99.200 -91.000 TRP 74 1.040 19.333 -1.079 39.189 -99.200 -91.000 TRP6 74 1.020 19.446 0.687 37.621 -99.200 -91.000 TYR 82 0.840 10.788 17.865 46.605 -99.200 -91.000 HIS 103 0.900 29.467 2.590 37.904 -99.200 -91.000 HIS 109 0.900 12.406 12.737 36.067 -99.200 -91.000 TYR 112 0.840 7.200 7.515 46.005 -99.200 -91.000 PHE 126 1.000 14.886 17.699 50.461 -99.200 -91.000 HIS 127 0.900 11.514 11.871 53.891 -99.200 -91.000 PHE 128 1.000 18.735 13.982 52.113 -99.200 -91.000 HIS 131 0.900 14.993 3.062 48.422 -99.200 -91.000 HIS 143 0.900 11.599 -19.506 37.431 -99.200 -91.000 TYR 144 0.840 15.479 -12.352 36.139 -99.200 -91.000 TYR 147 0.840 18.744 -7.276 50.969 -99.200 -91.000 TYR 154 0.840 14.683 14.917 59.166 -99.200 -91.000 HIS 163 0.900 17.026 24.875 58.622 -99.200 -91.000 HIS 164 0.900 14.967 18.157 61.543 -99.200 -91.000