============================================================================= 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. HIS 1 0.900 39.493 40.707 20.223 -99.200 -91.000 PHE 2 1.000 38.767 37.344 18.125 -99.200 -91.000 TYR 9 0.840 39.608 31.015 7.214 -99.200 -91.000 TYR 16 0.840 21.358 28.308 1.669 -99.200 -91.000 HIS 21 0.900 18.114 34.623 -2.734 -99.200 -91.000 PHE 22 1.000 23.895 28.053 -2.843 -99.200 -91.000 HIS 41 0.900 30.213 34.143 -12.793 -99.200 -91.000 TYR 55 0.840 42.073 40.381 2.021 -99.200 -91.000 TYR 64 0.840 41.351 39.444 -3.492 -99.200 -91.000 TYR 74 0.840 33.530 47.724 -4.471 -99.200 -91.000 PHE 85 1.000 33.614 42.097 3.588 -99.200 -91.000 HIS 93 0.900 23.577 26.328 12.370 -99.200 -91.000 TYR 94 0.840 22.110 30.274 11.121 -99.200 -91.000 TYR 97 0.840 31.742 35.778 6.282 -99.200 -91.000 HIS 102 0.900 32.512 51.676 5.808 -99.200 -91.000 TRP 107 1.040 27.207 50.186 7.493 -99.200 -91.000 TRP6 107 1.020 28.141 51.643 5.879 -99.200 -91.000 PHE 108 1.000 25.824 42.558 11.077 -99.200 -91.000 HIS 124 0.900 18.304 44.862 12.152 -99.200 -91.000 TYR 125 0.840 25.072 41.479 15.679 -99.200 -91.000 PHE 132 1.000 25.739 35.261 3.743 -99.200 -91.000