============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 2 1.000 49.079-163.734 39.551 -99.200 -91.000 TYR 5 0.840 53.716-162.393 31.225 -99.200 -91.000 PHE 20 1.000 86.290-162.257 19.366 -99.200 -91.000 TYR 33 0.840 61.500-145.864 41.047 -99.200 -91.000 TYR 39 0.840 77.739-162.432 40.731 -99.200 -91.000 PHE 44 1.000 72.221-168.599 33.918 -99.200 -91.000 PHE 57 1.000 58.170-162.867 35.284 -99.200 -91.000 PHE 68 1.000 69.656-174.232 24.420 -99.200 -91.000 TRP 74 1.040 66.067-185.366 27.826 -99.200 -91.000 TRP6 74 1.020 65.656-187.684 28.032 -99.200 -91.000 TYR 75 0.840 71.480-182.621 19.153 -99.200 -91.000 HIS 76 0.900 75.140-183.313 24.732 -99.200 -91.000 PHE 77 1.000 70.722-188.758 28.592 -99.200 -91.000 HIS 79 0.900 69.759-186.867 17.674 -99.200 -91.000 HIS 95 0.900 60.216-175.406 16.240 -99.200 -91.000 TYR 98 0.840 54.683-169.329 17.086 -99.200 -91.000 PHE 102 1.000 48.314-168.230 20.324 -99.200 -91.000 PHE 103 1.000 50.946-167.396 30.866 -99.200 -91.000 TYR 105 0.840 59.057-169.878 28.394 -99.200 -91.000 TYR 106 0.840 57.337-158.807 29.018 -99.200 -91.000 HIS 108 0.900 66.364-159.423 22.992 -99.200 -91.000 TYR 123 0.840 71.998-167.988 15.249 -99.200 -91.000 PHE 125 1.000 66.834-167.351 19.775 -99.200 -91.000 TYR 131 0.840 65.965-168.635 14.525 -99.200 -91.000 PHE 149 1.000 79.965-147.030 22.142 -99.200 -91.000 PHE 156 1.000 84.660-149.807 11.910 -99.200 -91.000 TYR 160 0.840 80.230-141.634 4.570 -99.200 -91.000 TYR 173 0.840 84.142-158.058 13.191 -99.200 -91.000 PHE 187 1.000 76.691-154.189 29.658 -99.200 -91.000 HIS 194 0.900 67.586-148.073 32.081 -99.200 -91.000 PHE 215 1.000 81.882-158.932 38.730 -99.200 -91.000 TYR 216 0.840 86.197-156.340 33.214 -99.200 -91.000