============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 44 0.840 23.603 -15.239 48.587 -99.200 -91.000 TYR 45 0.840 24.026 -10.620 46.534 -99.200 -91.000 PHE 46 1.000 22.097 -5.882 50.074 -99.200 -91.000 HIS 84 0.900 35.883 17.042 53.722 -99.200 -91.000 TYR 92 0.840 25.345 15.029 51.519 -99.200 -91.000 TYR 93 0.840 24.373 15.584 40.285 -99.200 -91.000 TYR 95 0.840 25.331 8.046 46.147 -99.200 -91.000 TYR 97 0.840 19.884 8.319 49.017 -99.200 -91.000 TYR 120 0.840 29.276 5.785 57.943 -99.200 -91.000 HIS 125 0.900 35.995 10.630 66.156 -99.200 -91.000 TYR 128 0.840 36.083 17.132 58.924 -99.200 -91.000 PHE 131 1.000 42.798 19.998 56.806 -99.200 -91.000 PHE 141 1.000 41.897 25.471 57.733 -99.200 -91.000 PHE 149 1.000 34.353 23.223 57.244 -99.200 -91.000 TYR 150 0.840 30.493 15.696 57.456 -99.200 -91.000 PHE 151 1.000 26.128 17.892 62.311 -99.200 -91.000 PHE 160 1.000 21.775 23.819 44.241 -99.200 -91.000 PHE 161 1.000 23.771 19.027 44.483 -99.200 -91.000 HIS 169 0.900 12.534 14.075 40.871 -99.200 -91.000 PHE 171 1.000 6.640 22.985 40.600 -99.200 -91.000 TYR 184 0.840 25.454 23.930 45.562 -99.200 -91.000 HIS 187 0.900 28.335 31.199 42.749 -99.200 -91.000 PHE 191 1.000 28.366 31.483 52.894 -99.200 -91.000 HIS 198 0.900 45.169 36.122 57.897 -99.200 -91.000