============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 29 0.840 -23.118 1.762 17.295 -99.200 -91.000 TYR 37 0.840 2.255 -6.343 7.537 -99.200 -91.000 PHE 51 1.000 -11.853 -1.684 5.461 -99.200 -91.000 PHE 55 1.000 -16.563 0.722 5.247 -99.200 -91.000 PHE 63 1.000 0.829 -2.479 7.217 -99.200 -91.000 PHE 80 1.000 3.004 6.916 7.084 -99.200 -91.000 HIS 90 0.900 6.985 -4.986 17.584 -99.200 -91.000 PHE 92 1.000 11.259 -6.146 18.750 -99.200 -91.000 PHE 113 1.000 -1.351 5.655 17.090 -99.200 -91.000 HIS 120 0.900 2.721 -11.636 22.805 -99.200 -91.000 PHE 126 1.000 13.404 -13.357 25.122 -99.200 -91.000 TYR 146 0.840 4.471 7.009 23.525 -99.200 -91.000 PHE 168 1.000 -4.987 8.889 20.798 -99.200 -91.000 PHE 187 1.000 -4.528 2.861 34.588 -99.200 -91.000 TYR 198 0.840 -12.083 -10.021 13.857 -99.200 -91.000