============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 28 1.000 32.449 20.591 -9.871 -99.200 -91.000 PHE 31 1.000 20.296 23.377 1.104 -99.200 -91.000 HIS 40 0.900 26.077 27.117 6.691 -99.200 -91.000 TYR 60 0.840 28.658 30.545 3.867 -99.200 -91.000 PHE 67 1.000 26.050 32.792 7.179 -99.200 -91.000 TYR 79 0.840 34.810 20.771 15.990 -99.200 -91.000 TYR 92 0.840 25.191 36.168 4.837 -99.200 -91.000 PHE 96 1.000 21.337 42.028 -2.614 -99.200 -91.000 HIS 100 0.900 26.719 42.452 -3.837 -99.200 -91.000 TYR 106 0.840 38.424 45.046 -6.862 -99.200 -91.000 TYR 115 0.840 38.477 37.640 7.302 -99.200 -91.000 TYR 127 0.840 29.200 34.316 -13.304 -99.200 -91.000 HIS 135 0.900 31.688 39.142 -14.277 -99.200 -91.000 PHE 139 1.000 33.983 35.004 -8.068 -99.200 -91.000 PHE 149 1.000 44.972 39.303 1.187 -99.200 -91.000 HIS 159 0.900 46.764 27.025 -10.645 -99.200 -91.000 TYR 166 0.840 33.714 16.010 -9.587 -99.200 -91.000 TYR 180 0.840 36.120 11.472 -10.763 -99.200 -91.000 PHE 191 1.000 30.357 14.255 3.378 -99.200 -91.000