============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 6 0.900 49.737 22.227 36.310 -99.200 -91.000 TYR 7 0.840 44.079 28.491 34.033 -99.200 -91.000 TYR 18 0.840 37.338 2.582 18.917 -99.200 -91.000 HIS 26 0.900 53.941 7.985 22.104 -99.200 -91.000 HIS 41 0.900 35.622 26.948 22.492 -99.200 -91.000 TYR 59 0.840 42.823 12.192 18.141 -99.200 -91.000 TYR 82 0.840 40.114 3.846 3.001 -99.200 -91.000 HIS 86 0.900 35.703 1.507 5.842 -99.200 -91.000 HIS 88 0.900 41.011 3.584 14.485 -99.200 -91.000 PHE 102 1.000 42.933 3.589 -1.307 -99.200 -91.000 TYR 115 0.840 31.571 15.095 -2.486 -99.200 -91.000 PHE 118 1.000 33.810 19.958 1.044 -99.200 -91.000 PHE 122 1.000 43.526 20.636 9.925 -99.200 -91.000 TYR 130 0.840 49.958 25.234 2.803 -99.200 -91.000 PHE 133 1.000 47.410 17.632 -1.143 -99.200 -91.000 PHE 134 1.000 45.216 28.294 0.110 -99.200 -91.000 TYR 136 0.840 41.157 19.006 -2.864 -99.200 -91.000 PHE 152 1.000 58.633 21.981 11.873 -99.200 -91.000 TRP 154 1.040 52.548 30.049 -1.234 -99.200 -91.000 TRP6 154 1.020 50.447 28.941 -1.039 -99.200 -91.000 HIS 158 0.900 45.369 33.232 -2.813 -99.200 -91.000 TYR 161 0.840 41.529 32.098 0.247 -99.200 -91.000 PHE 166 1.000 43.952 33.433 15.817 -99.200 -91.000