============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 3 1.000 -27.735 2.248 21.570 -99.200 -91.000 TYR 15 0.840 -12.679 16.424 20.084 -99.200 -91.000 HIS 25 0.900 -7.741 22.744 2.095 -99.200 -91.000 PHE 28 1.000 -8.098 17.887 7.531 -99.200 -91.000 HIS 35 0.900 -7.578 10.524 14.116 -99.200 -91.000 PHE 36 1.000 -15.442 5.777 11.041 -99.200 -91.000 HIS 46 0.900 -22.140 4.194 21.621 -99.200 -91.000 TYR 48 0.840 -13.470 10.346 15.160 -99.200 -91.000 HIS 61 0.900 -30.372 32.778 10.009 -99.200 -91.000 TYR 64 0.840 -19.746 34.431 8.798 -99.200 -91.000 TRP 77 1.040 -22.285 10.288 20.361 -99.200 -91.000 TRP6 77 1.020 -21.447 11.100 18.275 -99.200 -91.000 PHE 78 1.000 -15.334 9.749 25.018 -99.200 -91.000 TYR 84 0.840 -12.911 11.530 28.906 -99.200 -91.000 TYR 87 0.840 -10.787 8.631 24.371 -99.200 -91.000 TRP 96 1.040 -8.032 7.929 16.759 -99.200 -91.000 TRP6 96 1.020 -9.679 9.075 18.065 -99.200 -91.000 PHE 97 1.000 -5.720 11.981 21.639 -99.200 -91.000 HIS 99 0.900 -4.038 9.483 11.326 -99.200 -91.000 TYR 102 0.840 0.620 12.572 8.030 -99.200 -91.000 PHE 103 1.000 -6.312 13.755 10.984 -99.200 -91.000 PHE 110 1.000 -16.688 24.379 20.424 -99.200 -91.000