============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 7 1.000 36.453 23.163 -2.213 -99.200 -91.000 TRP 8 1.040 43.568 23.611 -6.857 -99.200 -91.000 TRP6 8 1.020 45.178 24.787 -5.577 -99.200 -91.000 PHE 21 1.000 39.214 43.943 -4.784 -99.200 -91.000 TRP 23 1.040 48.600 48.607 -9.052 -99.200 -91.000 TRP6 23 1.020 50.955 48.471 -8.883 -99.200 -91.000 TYR 35 0.840 35.351 53.530 2.352 -99.200 -91.000 TYR 36 0.840 41.270 51.768 -2.613 -99.200 -91.000 TYR 50 0.840 36.557 29.293 -2.154 -99.200 -91.000 TRP 59 1.040 38.041 18.734 1.664 -99.200 -91.000 TRP6 59 1.020 37.557 17.590 -0.356 -99.200 -91.000 PHE 68 1.000 33.379 20.774 1.119 -99.200 -91.000 TYR 72 0.840 29.879 26.443 6.906 -99.200 -91.000 TRP 75 1.040 30.915 31.811 3.688 -99.200 -91.000 TRP6 75 1.020 28.978 30.457 3.540 -99.200 -91.000 TYR 84 0.840 35.008 48.838 9.093 -99.200 -91.000 PHE 85 1.000 33.765 48.873 0.762 -99.200 -91.000 PHE 97 1.000 30.385 50.917 11.162 -99.200 -91.000 PHE 112 1.000 32.039 26.027 11.446 -99.200 -91.000 TYR 123 0.840 16.702 20.792 8.246 -99.200 -91.000 PHE 126 1.000 18.263 27.493 6.855 -99.200 -91.000 PHE 133 1.000 19.927 37.345 4.643 -99.200 -91.000 TYR 138 0.840 14.437 47.547 10.058 -99.200 -91.000 TYR 139 0.840 19.204 47.438 12.394 -99.200 -91.000 TYR 159 0.840 24.152 51.695 1.836 -99.200 -91.000 TRP 170 1.040 25.774 38.924 1.364 -99.200 -91.000 TRP6 170 1.020 26.457 39.356 3.591 -99.200 -91.000 TYR 173 0.840 26.363 33.098 -0.232 -99.200 -91.000 PHE 175 1.000 15.591 30.704 -0.664 -99.200 -91.000 TRP 177 1.040 23.514 25.646 5.167 -99.200 -91.000 TRP6 177 1.020 21.860 24.531 6.447 -99.200 -91.000 TYR 198 0.840 28.258 33.969 -10.234 -99.200 -91.000 PHE 207 1.000 30.860 45.024 -1.327 -99.200 -91.000 PHE 209 1.000 37.701 43.223 -9.900 -99.200 -91.000