============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 7 1.000 -5.723 56.501 27.759 -99.200 -91.000 HIS 24 0.900 5.217 49.505 60.940 -99.200 -91.000 PHE 26 1.000 2.853 52.833 52.824 -99.200 -91.000 TYR 38 0.840 6.246 58.940 20.856 -99.200 -91.000 PHE 45 1.000 4.924 56.918 41.642 -99.200 -91.000 TRP 56 1.040 10.803 55.003 47.508 -99.200 -91.000 TRP6 56 1.020 8.673 55.992 47.231 -99.200 -91.000 PHE 63 1.000 3.666 54.000 44.277 -99.200 -91.000 PHE 67 1.000 -1.349 57.064 30.472 -99.200 -91.000 TYR 70 0.840 -2.800 47.045 23.948 -99.200 -91.000 HIS 73 0.900 -0.298 43.721 15.199 -99.200 -91.000 HIS 77 0.900 -6.994 41.570 19.991 -99.200 -91.000 PHE 79 1.000 -10.319 45.734 30.718 -99.200 -91.000 PHE 80 1.000 -4.854 46.851 30.608 -99.200 -91.000 TYR 88 0.840 -7.936 50.031 34.282 -99.200 -91.000 PHE 95 1.000 -0.144 35.193 47.356 -99.200 -91.000 PHE 96 1.000 6.498 41.565 48.051 -99.200 -91.000 TYR 102 0.840 3.515 45.073 49.283 -99.200 -91.000 PHE 110 1.000 -8.463 59.864 30.765 -99.200 -91.000 PHE 126 1.000 5.189 42.064 53.385 -99.200 -91.000 HIS 135 0.900 13.202 49.862 54.056 -99.200 -91.000 TYR 139 0.840 15.442 53.960 43.678 -99.200 -91.000 TYR 141 0.840 10.433 46.996 38.760 -99.200 -91.000 HIS 144 0.900 8.665 41.887 33.764 -99.200 -91.000 TYR 147 0.840 -0.302 34.202 27.965 -99.200 -91.000 PHE 161 1.000 2.861 41.072 36.883 -99.200 -91.000 HIS 165 0.900 10.792 43.690 43.760 -99.200 -91.000 HIS 177 0.900 3.611 41.621 41.181 -99.200 -91.000 TYR 178 0.840 -0.907 34.441 41.750 -99.200 -91.000 HIS 195 0.900 -2.799 41.522 24.762 -99.200 -91.000 TYR 196 0.840 3.906 36.852 25.413 -99.200 -91.000 TYR 199 0.840 4.432 46.937 32.122 -99.200 -91.000 HIS 213 0.900 13.082 61.688 45.518 -99.200 -91.000 PHE 219 1.000 10.241 54.600 27.261 -99.200 -91.000 HIS 227 0.900 1.930 41.691 12.841 -99.200 -91.000