============================================================================= 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 20 0.900 7.641 157.631 -18.364 -99.200 -91.000 HIS 24 0.900 6.381 153.605 -22.552 -99.200 -91.000 HIS 27 0.900 9.705 148.629 -22.326 -99.200 -91.000 TRP 28 1.040 6.592 150.729 -26.190 -99.200 -91.000 TRP6 28 1.020 5.618 152.893 -26.230 -99.200 -91.000 TYR 29 0.840 9.767 152.466 -32.342 -99.200 -91.000 PHE 35 1.000 13.308 142.995 -26.555 -99.200 -91.000 TRP 38 1.040 21.057 146.148 -21.765 -99.200 -91.000 TRP6 38 1.020 21.554 147.668 -20.009 -99.200 -91.000 HIS 39 0.900 10.854 145.338 -23.710 -99.200 -91.000 TYR 45 0.840 18.074 152.348 -16.566 -99.200 -91.000 TYR 52 0.840 15.050 160.355 -9.593 -99.200 -91.000 PHE 68 1.000 7.047 174.344 -17.606 -99.200 -91.000 PHE 74 1.000 4.669 167.510 -19.027 -99.200 -91.000 TYR 87 0.840 10.167 148.671 -34.552 -99.200 -91.000 PHE 102 1.000 19.389 157.385 -17.272 -99.200 -91.000 TYR 104 0.840 19.192 168.158 -19.997 -99.200 -91.000 PHE 109 1.000 17.890 165.187 -11.807 -99.200 -91.000 PHE 113 1.000 24.076 170.290 -4.000 -99.200 -91.000 PHE 128 1.000 16.732 169.862 -8.347 -99.200 -91.000 HIS 138 0.900 20.216 153.847 -12.615 -99.200 -91.000 TRP 140 1.040 30.031 151.680 -12.694 -99.200 -91.000 TRP6 140 1.020 28.993 150.591 -10.866 -99.200 -91.000