============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TRP 5 1.040 23.409 37.688 90.745 -99.200 -91.000 TRP6 5 1.020 24.293 39.863 91.085 -99.200 -91.000 PHE 7 1.000 32.306 31.319 90.424 -99.200 -91.000 PHE 20 1.000 38.699 31.156 84.036 -99.200 -91.000 TRP 23 1.040 33.856 42.521 81.675 -99.200 -91.000 TRP6 23 1.020 31.630 42.506 82.467 -99.200 -91.000 TRP 28 1.040 26.640 46.679 82.396 -99.200 -91.000 TRP6 28 1.020 28.724 47.181 83.404 -99.200 -91.000 PHE 30 1.000 28.403 37.004 81.236 -99.200 -91.000 TRP 42 1.040 27.903 27.413 89.897 -99.200 -91.000 TRP6 42 1.020 27.735 29.044 91.605 -99.200 -91.000 TYR 53 0.840 27.902 24.784 78.421 -99.200 -91.000 TYR 62 0.840 16.756 30.938 89.068 -99.200 -91.000 TYR 63 0.840 21.054 34.033 87.700 -99.200 -91.000 TYR 64 0.840 17.944 32.753 79.405 -99.200 -91.000 HIS 70 0.900 17.311 39.247 79.285 -99.200 -91.000 TYR 77 0.840 30.532 27.760 74.269 -99.200 -91.000 TYR 79 0.840 24.900 32.698 78.598 -99.200 -91.000 PHE 81 1.000 26.809 39.884 84.763 -99.200 -91.000 TYR 91 0.840 34.708 51.940 88.815 -99.200 -91.000 HIS 97 0.900 33.595 46.883 78.791 -99.200 -91.000