============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 8 1.000 21.755 -27.684 38.328 -99.200 -91.000 TYR 12 0.840 12.756 -29.382 42.213 -99.200 -91.000 TRP 14 1.040 17.780 -38.200 46.639 -99.200 -91.000 TRP6 14 1.020 19.178 -36.613 47.674 -99.200 -91.000 HIS 22 0.900 25.880 -41.837 62.263 -99.200 -91.000 HIS 26 0.900 33.188 -42.768 64.250 -99.200 -91.000 TYR 27 0.840 34.956 -46.765 59.397 -99.200 -91.000 TRP 29 1.040 37.159 -45.485 50.231 -99.200 -91.000 TRP6 29 1.020 36.682 -47.660 51.009 -99.200 -91.000 PHE 51 1.000 38.099 -35.836 56.000 -99.200 -91.000 HIS 53 0.900 43.158 -37.298 48.272 -99.200 -91.000 HIS 62 0.900 57.637 -41.359 49.513 -99.200 -91.000 PHE 65 1.000 51.246 -28.652 52.107 -99.200 -91.000 TYR 73 0.840 40.167 -31.607 59.055 -99.200 -91.000 HIS 82 0.900 39.771 -48.526 62.525 -99.200 -91.000 HIS 88 0.900 39.343 -48.967 40.042 -99.200 -91.000 HIS 95 0.900 43.931 -51.011 32.464 -99.200 -91.000 TRP 109 1.040 48.874 -38.833 40.239 -99.200 -91.000 TRP6 109 1.020 49.044 -37.493 42.179 -99.200 -91.000 HIS 112 0.900 55.530 -40.039 42.430 -99.200 -91.000 TRP 117 1.040 54.566 -52.324 35.191 -99.200 -91.000 TRP6 117 1.020 55.302 -51.851 33.015 -99.200 -91.000 PHE 118 1.000 63.609 -50.311 37.174 -99.200 -91.000 HIS 120 0.900 57.045 -54.804 43.625 -99.200 -91.000 HIS 122 0.900 62.522 -62.241 38.474 -99.200 -91.000 TYR 146 0.840 57.320 -49.742 53.215 -99.200 -91.000 TRP 158 1.040 50.910 -46.006 64.017 -99.200 -91.000 TRP6 158 1.020 52.013 -46.558 61.998 -99.200 -91.000 HIS 167 0.900 42.699 -51.539 58.249 -99.200 -91.000 TRP 169 1.040 41.047 -53.530 53.078 -99.200 -91.000 TRP6 169 1.020 39.125 -52.528 54.011 -99.200 -91.000 TYR 171 0.840 36.011 -51.873 44.020 -99.200 -91.000 PHE 177 1.000 32.082 -61.181 47.163 -99.200 -91.000 TYR 195 0.840 56.534 -52.983 51.335 -99.200 -91.000