============================================================================= 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. PHE 5 1.000 22.246 101.921 185.166 -99.200 -91.000 PHE 22 1.000 24.015 83.933 193.611 -99.200 -91.000 PHE 24 1.000 27.801 90.206 191.561 -99.200 -91.000 TYR 32 0.840 18.986 83.902 197.590 -99.200 -91.000 TYR 33 0.840 25.964 88.392 195.929 -99.200 -91.000 TYR 37 0.840 40.483 86.139 202.795 -99.200 -91.000 HIS 44 0.900 22.011 75.395 199.512 -99.200 -91.000 PHE 49 1.000 29.598 81.924 191.690 -99.200 -91.000 HIS 60 0.900 23.992 81.753 178.645 -99.200 -91.000 HIS 65 0.900 19.345 91.206 178.766 -99.200 -91.000 TYR 69 0.840 19.406 95.553 169.534 -99.200 -91.000 TYR 70 0.840 21.639 92.330 166.500 -99.200 -91.000 TRP 73 1.040 10.060 89.405 169.634 -99.200 -91.000 TRP6 73 1.020 8.106 88.288 168.946 -99.200 -91.000 PHE 91 1.000 5.528 103.396 152.532 -99.200 -91.000 TYR 106 0.840 13.703 97.343 165.117 -99.200 -91.000 TYR 108 0.840 16.590 94.470 174.856 -99.200 -91.000 TYR 114 0.840 25.111 102.928 175.793 -99.200 -91.000 TYR 119 0.840 21.801 96.443 186.657 -99.200 -91.000 PHE 120 1.000 23.876 92.457 182.611 -99.200 -91.000 PHE 124 1.000 30.561 92.250 187.386 -99.200 -91.000 TYR 138 0.840 17.157 90.470 196.818 -99.200 -91.000 TYR 145 0.840 15.866 94.881 201.837 -99.200 -91.000 TYR 176 0.840 29.763 90.822 174.241 -99.200 -91.000