============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. HIS 12 0.900 -21.409 13.971 71.110 -99.200 -91.000 TYR 22 0.840 -19.671 8.205 59.482 -99.200 -91.000 TYR 30 0.840 6.573 22.268 66.532 -99.200 -91.000 HIS 32 0.900 4.416 19.362 58.002 -99.200 -91.000 PHE 37 1.000 -8.232 10.871 63.399 -99.200 -91.000 TYR 39 0.840 -11.905 7.644 66.201 -99.200 -91.000 HIS 48 0.900 -8.493 -0.491 67.958 -99.200 -91.000 HIS 78 0.900 -11.061 19.398 46.692 -99.200 -91.000 PHE 84 1.000 -13.872 7.921 51.922 -99.200 -91.000 HIS 87 0.900 -11.154 -3.553 56.544 -99.200 -91.000 HIS 88 0.900 -12.781 6.314 56.288 -99.200 -91.000 PHE 94 1.000 -14.392 17.273 54.037 -99.200 -91.000 PHE 106 1.000 -2.774 26.116 66.767 -99.200 -91.000 TYR 110 0.840 -11.645 15.513 59.064 -99.200 -91.000 PHE 120 1.000 -22.028 18.326 56.097 -99.200 -91.000 PHE 145 1.000 1.407 22.718 67.539 -99.200 -91.000