============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 5 0.840 33.486-210.587 31.830 -99.200 -91.000 PHE 7 1.000 33.212-210.861 26.221 -99.200 -91.000 PHE 12 1.000 20.926-214.414 16.873 -99.200 -91.000 TYR 23 0.840 20.360-221.912 28.605 -99.200 -91.000 TYR 75 0.840 8.248-211.241 40.612 -99.200 -91.000 TYR 82 0.840 8.170-207.091 40.263 -99.200 -91.000 HIS 94 0.900 7.883-189.650 37.886 -99.200 -91.000 TYR 97 0.840 4.269-189.909 28.084 -99.200 -91.000 TYR 101 0.840 5.248-185.979 25.583 -99.200 -91.000 TYR 104 0.840 2.110-189.952 36.783 -99.200 -91.000 PHE 130 1.000 16.692-206.789 33.758 -99.200 -91.000 HIS 139 0.900 -8.370-195.613 32.172 -99.200 -91.000 PHE 142 1.000 -6.973-189.114 24.013 -99.200 -91.000 PHE 145 1.000 -10.339-199.741 33.002 -99.200 -91.000 TYR 148 0.840 -0.059-203.771 26.380 -99.200 -91.000 TYR 156 0.840 5.673-204.298 23.714 -99.200 -91.000 PHE 157 1.000 3.910-211.756 24.159 -99.200 -91.000 TRP 159 1.040 -1.181-211.930 27.108 -99.200 -91.000 TRP6 159 1.020 -1.522-213.964 25.951 -99.200 -91.000 PHE 174 1.000 -11.165-221.851 36.148 -99.200 -91.000 TRP 179 1.040 -11.839-212.426 29.420 -99.200 -91.000 TRP6 179 1.020 -12.479-211.747 27.247 -99.200 -91.000 HIS 190 0.900 -16.185-215.932 41.946 -99.200 -91.000 PHE 204 1.000 -6.727-218.962 47.113 -99.200 -91.000 TYR 223 0.840 -3.681-183.330 45.334 -99.200 -91.000 PHE 234 1.000 -1.524-200.420 41.952 -99.200 -91.000