============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 9 0.840 35.520 57.179 42.774 -99.200 -91.000 PHE 19 1.000 25.960 59.818 42.091 -99.200 -91.000 TYR 35 0.840 20.605 62.468 41.269 -99.200 -91.000 TYR 37 0.840 24.270 53.947 46.443 -99.200 -91.000 TYR 38 0.840 29.691 48.251 42.884 -99.200 -91.000 PHE 46 1.000 27.653 47.832 38.632 -99.200 -91.000 TYR 52 0.840 30.794 34.822 31.286 -99.200 -91.000 HIS 53 0.900 26.928 43.947 27.478 -99.200 -91.000 TYR 54 0.840 31.809 37.718 24.992 -99.200 -91.000 PHE 66 1.000 16.822 59.806 42.116 -99.200 -91.000 HIS 82 0.900 29.181 26.242 27.339 -99.200 -91.000 TYR 89 0.840 34.788 19.934 24.333 -99.200 -91.000 PHE 91 1.000 33.205 18.970 19.771 -99.200 -91.000 PHE 94 1.000 38.723 23.427 23.578 -99.200 -91.000 TRP 98 1.040 38.053 19.938 16.434 -99.200 -91.000 TRP6 98 1.020 38.054 19.240 18.688 -99.200 -91.000 HIS 101 0.900 33.088 20.967 13.366 -99.200 -91.000 TRP 121 1.040 18.855 47.591 48.996 -99.200 -91.000 TRP6 121 1.020 17.811 47.083 51.049 -99.200 -91.000 TYR 153 0.840 7.095 50.626 43.973 -99.200 -91.000 PHE 168 1.000 5.050 50.556 49.554 -99.200 -91.000 TRP 181 1.040 9.792 58.859 43.431 -99.200 -91.000 TRP6 181 1.020 12.123 59.160 43.646 -99.200 -91.000 TRP 182 1.040 11.024 56.887 38.236 -99.200 -91.000 TRP6 182 1.020 9.901 55.569 39.839 -99.200 -91.000 TRP 184 1.040 7.776 64.486 39.255 -99.200 -91.000 TRP6 184 1.020 6.998 64.325 41.474 -99.200 -91.000