============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 7 0.840 8.851 35.934 26.635 -99.200 -91.000 TYR 11 0.840 3.335 31.602 25.443 -99.200 -91.000 PHE 18 1.000 10.175 25.574 20.040 -99.200 -91.000 PHE 27 1.000 19.336 21.103 14.079 -99.200 -91.000 HIS 44 0.900 17.384 43.908 31.088 -99.200 -91.000 TYR 46 0.840 16.077 38.553 22.823 -99.200 -91.000 PHE 53 1.000 12.303 35.486 21.624 -99.200 -91.000 TRP 54 1.040 7.897 39.589 16.587 -99.200 -91.000 TRP6 54 1.020 6.029 40.869 17.258 -99.200 -91.000 HIS 60 0.900 -4.794 22.171 21.788 -99.200 -91.000 PHE 81 1.000 16.572 27.507 18.100 -99.200 -91.000 TYR 86 0.840 3.274 22.336 14.613 -99.200 -91.000 TYR 111 0.840 25.316 43.337 9.854 -99.200 -91.000 PHE 118 1.000 20.999 25.354 14.928 -99.200 -91.000 TYR 123 0.840 21.160 24.145 2.105 -99.200 -91.000 PHE 124 1.000 13.854 30.867 6.749 -99.200 -91.000 TYR 125 0.840 18.977 32.049 8.925 -99.200 -91.000 PHE 130 1.000 18.676 37.187 6.747 -99.200 -91.000 PHE 142 1.000 26.672 39.796 14.903 -99.200 -91.000 PHE 149 1.000 29.880 35.257 11.998 -99.200 -91.000 TYR 150 0.840 24.255 32.961 6.204 -99.200 -91.000 TYR 151 0.840 22.967 43.809 5.963 -99.200 -91.000