============================================================================= 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. PHE 7 1.000 33.528 19.631 53.431 -99.200 -91.000 PHE 27 1.000 35.915 18.788 42.402 -99.200 -91.000 PHE 32 1.000 41.644 21.151 41.130 -99.200 -91.000 PHE 39 1.000 27.497 7.154 51.657 -99.200 -91.000 HIS 46 0.900 29.734 17.595 61.273 -99.200 -91.000 HIS 50 0.900 28.961 22.983 56.353 -99.200 -91.000 TYR 51 0.840 24.520 24.196 55.903 -99.200 -91.000 PHE 59 1.000 18.065 30.857 54.625 -99.200 -91.000 PHE 60 1.000 20.165 26.555 61.355 -99.200 -91.000 TYR 66 0.840 19.114 19.418 50.519 -99.200 -91.000 TRP 77 1.040 38.179 16.558 45.634 -99.200 -91.000 TRP6 77 1.020 39.018 14.929 44.137 -99.200 -91.000 PHE 107 1.000 25.762 15.569 35.950 -99.200 -91.000 HIS 117 0.900 29.915 23.581 51.107 -99.200 -91.000 TRP 132 1.040 31.875 19.112 57.167 -99.200 -91.000 TRP6 132 1.020 29.978 17.790 56.718 -99.200 -91.000 PHE 133 1.000 37.087 14.814 55.462 -99.200 -91.000 TYR 141 0.840 47.383 10.444 47.276 -99.200 -91.000 HIS 146 0.900 53.031 17.753 41.798 -99.200 -91.000 TRP 148 1.040 54.361 13.989 32.928 -99.200 -91.000 TRP6 148 1.020 55.648 14.876 31.163 -99.200 -91.000 TYR 150 0.840 49.989 21.414 40.177 -99.200 -91.000