============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. HIS 17 0.900 11.076 37.947 13.328 -99.200 -91.000 PHE 22 1.000 17.501 25.190 16.927 -99.200 -91.000 TYR 25 0.840 21.747 28.964 9.937 -99.200 -91.000 PHE 31 1.000 22.165 17.593 1.920 -99.200 -91.000 PHE 42 1.000 19.890 7.152 15.727 -99.200 -91.000 PHE 47 1.000 35.898 9.213 11.744 -99.200 -91.000 PHE 51 1.000 31.730 -0.826 21.700 -99.200 -91.000 PHE 89 1.000 31.710 -1.888 15.983 -99.200 -91.000 PHE 101 1.000 24.587 -8.940 22.472 -99.200 -91.000 TYR 103 0.840 19.503 -0.242 25.491 -99.200 -91.000 TYR 111 0.840 13.938 -2.313 17.607 -99.200 -91.000 TRP 114 1.040 19.283 -9.860 18.272 -99.200 -91.000 TRP6 114 1.020 21.519 -9.092 18.410 -99.200 -91.000 PHE 132 1.000 24.793 -7.234 8.748 -99.200 -91.000 TRP 137 1.040 19.912 -4.215 15.307 -99.200 -91.000 TRP6 137 1.020 19.400 -3.980 17.600 -99.200 -91.000 PHE 152 1.000 25.914 13.847 19.238 -99.200 -91.000