============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 39 0.840 24.174 39.697 -38.930 -99.200 -91.000 PHE 41 1.000 21.060 37.375 -45.092 -99.200 -91.000 TYR 46 0.840 12.878 38.418 -61.847 -99.200 -91.000 TYR 81 0.840 8.763 86.867 -64.709 -99.200 -91.000 TYR 82 0.840 10.638 85.911 -60.335 -99.200 -91.000 HIS 90 0.900 10.049 55.349 -62.375 -99.200 -91.000 PHE 92 1.000 16.059 48.687 -54.340 -99.200 -91.000 PHE 94 1.000 15.919 42.115 -53.277 -99.200 -91.000 TYR 100 0.840 23.166 38.148 -56.311 -99.200 -91.000 TYR 118 0.840 25.361 62.344 -59.851 -99.200 -91.000 TYR 119 0.840 22.541 66.223 -61.207 -99.200 -91.000 PHE 130 1.000 35.041 65.716 -76.962 -99.200 -91.000 PHE 138 1.000 40.876 62.360 -83.700 -99.200 -91.000 PHE 141 1.000 48.158 64.033 -85.486 -99.200 -91.000 PHE 159 1.000 33.722 70.028 -73.268 -99.200 -91.000 TYR 160 0.840 25.635 69.673 -71.012 -99.200 -91.000 PHE 163 1.000 29.425 65.765 -75.088 -99.200 -91.000 TYR 182 0.840 44.262 70.078 -90.119 -99.200 -91.000 TYR 187 0.840 31.570 71.238 -86.104 -99.200 -91.000 TYR 191 0.840 33.175 78.144 -77.452 -99.200 -91.000 PHE 196 1.000 28.358 76.511 -82.593 -99.200 -91.000